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! Basis Set Exchange
! Version 0.10
! https://www.basissetexchange.org
!----------------------------------------------------------------------
! Basis set: 6-31G(2df,p)
! Description: 6-31G(2df,p)
! Role: orbital
! Version: 0 (Data from the original Basis Set Exchange)
!----------------------------------------------------------------------
H 0
S 3 1.00
18.7311370 0.03349460
2.8253937 0.23472695
0.6401217 0.81375733
S 1 1.00
0.1612778 1.00000000
P 1 1.00
1.5000000 1.0000000
P 1 1.00
0.3750000 1.0000000
****
which is the same for the valence (one extra decimal in the coefficient) but only 1 P function on H with exponent 1.1.
The notes for the basis set indicate that this was an error in the original BSE, which has not apparently been fixed:
Original BSE Contributor: Edoardo Apra
Original BSE PI: J.A. Pople
Original BSE Last Modified: Mon, 11 Jul 2016 23:51:20 GMT
--------------------------------------------------------------------------------
In the original BSE, this basis set erroneaously uses 2p on H,He rather than a single p
The text was updated successfully, but these errors were encountered:
https://www.basissetexchange.org/basis/6-31g(2df,p)/format/gaussian94/?version=0&elements=1
The downloadable basis for H looks like this
Gaussian claims it uses the following:
which is the same for the valence (one extra decimal in the coefficient) but only 1 P function on H with exponent 1.1.
The notes for the basis set indicate that this was an error in the original BSE, which has not apparently been fixed:
The text was updated successfully, but these errors were encountered: