En otros como el Gamess, las bases son análogas, pero se escriben de forma distinta:
$BASIS group (optional)
GBASIS = MINI - Huzinaga's 3 gaussian minimal basis set.
Available H-Rn.
= MIDI - Huzinaga's 21 split valence basis set.
Available H-Rn.
= STO - Pople's STO-NG minimal basis set.
Available H-Xe, for NGAUSS=2,3,4,5,6.
= N21 - Pople's N-21G split valence basis set.
Available H-Xe, for NGAUSS=3.
Available H-Ar, for NGAUSS=6.
= N31 - Pople's N-31G split valence basis set.
Available H-Ne,P-Cl for NGAUSS=4.
Available H-He,C-F for NGAUSS=5.
Available H-Kr, for NGAUSS=6, note that the
bases for K,Ca,Ga-Kr were changed 9/2006.
= N311 - Pople's "triple split" N-311G basis set.
Available H-Ne, for NGAUSS=6.
Selecting N311 implies MC for Na-Ar.
= DZV - "double zeta valence" basis set.
a synonym for DH for H,Li,Be-Ne,Al-Cl.
(14s,9p,3d)/[5s,3p,1d] for K-Ca.
(14s,11p,5d/[6s,4p,1d] for Ga-Kr.
= DH - Dunning/Hay "double zeta" basis set.
(3s)/[2s] for H.
(9s,4p)/[3s,2p] for Li.
(9s,5p)/[3s,2p] for Be-Ne.
(11s,7p)/[6s,4p] for Al-Cl.
= TZV - "triple zeta valence" basis set.
(5s)/[3s] for H.
(10s,3p)/[4s,3p] for Li.
(10s,6p)/[5s,3p] for Be-Ne.
a synonym for MC for Na-Ar.
(14s,9p)/[8s,4p] for K-Ca.
(14s,11p,6d)/[10s,8p,3d] for Sc-Zn.
= MC - McLean/Chandler "triple split" basis.
(12s,9p)/[6s,5p] for Na-Ar.
Selecting MC implies 6-311G for H-Ne.
= CCn - Dunning-type Correlation Consistent basis
sets, officially called cc-pVnZ.
Use n = D,T,Q,5,6 to indicate the level of
polarization. These provide a hierachy of
basis sets suitable for recovering the
correlation energy.
Available for H-He, Li-Ne, Na-Ar, Ca, Ga-Kr
= ACCn - As CCn, but augmented with a set of diffuse
functions, e.g. aug-cc-pVnZ.
= CCnC - As CCn, but augmented with tight functions
for recovering core and core-valence
correlation, e.g. cc-pCVnZ.
= ACCnC- As CCn, but augmented with both tight and
diffuse functions, e.g. aug-cc-pCVnZ.
= PCn - Jensen Polarization Consistent basis sets.
n = 0,1,2,3,4 indicates the level of
polarization. (n=0 is unpolarized, n=1 is
DZP, n=2 is TZP, etc.). These provide a
hierachy of basis sets suitable for DFT and
HF calculations.
Available for H, C,N,O,F, Si,P,S,Cl
= APCn - As PCn, but augmented with a set of diffuse
functions.
* * * Effective Core Potential (ECP) bases * * *
GBASIS = SBKJC- Stevens/Basch/Krauss/Jasien/Cundari
valence basis set, for Li-Rn. This choice
implies an unscaled -31G basis for H-He.
= HW - Hay/Wadt valence basis.
This is a -21 split, available Na-Xe,
except for the transition metals.
This implies a 3-21G basis for H-Ne.
* * * Model Core Potential (MCP) bases * * *
GBASIS = MCP-DZP, MCP-TZP, MCP-QZP -
a family of double, triple, and quadruple zeta
quality valence basis sets, which are akin to the
correlation consistent sets, in that these include
increasing levels of polarization (and so do not
require "supplements" like NDFUNC or DIFFSP) and
must be used as spherical harmonics (see ISPHER).
These are available for main group atoms, Li-Rn.
= IMCP-SR1 and IMCP-SR2 -
valence basis sets to be used with the improved
MCPs with scalar relativistic effects.
These are available for transition metals except
La, and the main group elements B-Ne, P-Ar, Ge,
Kr, Sb, Xe, Rn.
The 1 and 2 refer to addition of first and second
polarization shells, so again don't use any of the
"supplements" and do use spherical harmonics.
= IMCP-NR1 and IMCP-NR2 -
closely related valence basis sets, but with
nonrelativistic model core potentials.