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Available Basis Sets

This page lists all basis sets available in the NWChem basis set library. The library files are located in https://github.com/nwchemgit/nwchem/tree/master/src/basis/libraries.

Basis Set Table

Basis Set Type Elements
2zapa-nr Spherical H-Ar
2zapa-nr_cv Spherical Li-Ar
3-21++g Cartesian H, Li-Ca
3-21++gs Cartesian H-Ar
3-21g Cartesian H-Cs
3-21gs Cartesian H-Ar
3-21gs_polarization Cartesian Na-Ar
3-21gsp Cartesian H-Ar
3zapa-nr Spherical H-Ar
3zapa-nr_cv Spherical Li-Ar
4-22gsp Cartesian H-Ar
4-31g Cartesian H-Ne, P-Cl
4zapa-nr Spherical H-Ar
4zapa-nr_cv Spherical Li-Ar
5zapa-nr Spherical H-Ar
5zapa-nr_cv Spherical Li-Ar
5zp Spherical H-Ar
5zp-dkh Spherical H-Ar
6-31++g Cartesian H, Li-Ca
6-31++gs Cartesian H-Ca
6-31++gss Cartesian H-Ca
6-31++gss-j Spherical H, C-O
6-31+g Spherical H-Ca
6-31+gs Cartesian H-Ca
6-31+gs-j Spherical H, C-O
6-31+gss Spherical H-Ca
6-311++g Spherical H, Li-Ca
6-311++g2d_2p Spherical H, Li-Ca
6-311++g3df_3pd Spherical H, Li-Ar
6-311++gs Spherical H, Li-Ca
6-311++gss Spherical H-Ca
6-311++gss-j Spherical H, C-O
6-311+g Spherical H-Ca
6-311+g2d_p Spherical H-Ca
6-311+gs Spherical H-Ca
6-311+gs-j Spherical H, C-O
6-311+gss Spherical H-Ca
6-311g Spherical H-Ca, Ga-Kr, I
6-311g-j Spherical H, C-O
6-311g2df_2pd Spherical H-Ne, K-Ca
6-311gs Spherical H-Ca, Ga-Kr, I
6-311gs_polarization Spherical Li-Ca, Ga-Kr, I
6-311gss Spherical H-Ca, Ga-Kr, I
6-311gss_polarization Spherical H-Ca, Ga-Kr, I
6-31g Spherical H-Zn
6-31g-blaudeau Cartesian K-Ca
6-31g-j Spherical H, C-O
6-31g2df_p Spherical H-Ar
6-31g3df_3pd Spherical H-Ar
6-31gs Spherical H-Kr
6-31gs-blaudeau Cartesian K-Ca
6-31gs_polarization Cartesian Li-Zn
6-31gss Cartesian H-Zn
6-31gss_polarization Cartesian H-Zn
6zapa-nr Spherical H-Ar
6zp Spherical H-Ar
6zp-dkh Spherical H-Ar
7zapa-nr Spherical H-Ne
a5zp Spherical H, Li-Ar
adzp Spherical H, Li-K, Sc-Rb, Y-La, Hf-Rn
ahlrichs_coulomb_fitting Spherical H-Ba, Hf-At
ahlrichs_polarization Spherical H-Kr
ahlrichs_pvdz Spherical H-Kr
ahlrichs_tzv Spherical Li-Kr
ahlrichs_vdz Spherical H-Kr
ahlrichs_vtz Spherical H-Kr
ano-rcc Spherical H-Cm
apr-cc-pvq+dz Spherical H-Ar
aqzp Spherical H, Li-K, Sc-Rb, Y-Xe
atzp Spherical H, Li-K, Sc-Rb, Y-Xe
aug-cc-pcv5z Spherical B-Ne, Al-Ar
aug-cc-pcvdz Spherical Li-Ar
aug-cc-pcvqz Spherical Li-Ar
aug-cc-pcvt+dz Spherical Al-Cl
aug-cc-pcvtz Spherical Li-Ar
aug-cc-pv5+dz Spherical Al-Ar
aug-cc-pv5+dz_diffuse Spherical Al-Ar
aug-cc-pv5z Spherical H-Ar, Sc-Kr
aug-cc-pv5z-dk Spherical H-He, B-Ne, Al-Ar, Sc-Kr
aug-cc-pv5z-dk_diffuse Spherical H-He, B-Ne, Al-Ar, Sc-Kr
aug-cc-pv5z-nr_mp2_fitting Spherical Sc-Zn
aug-cc-pv5z-pp Spherical Cu-Kr, Y-Xe, Hf-Rn
aug-cc-pv5z-pp-ri_diffuse Spherical Cu-Kr, Ag-Xe, Au-Rn
aug-cc-pv5z-pp_diffuse Spherical Cu-Kr, Y-Xe, Hf-Rn
aug-cc-pv5z-pp_mp2_fitting Spherical Y-Pd, Hf-Pt
aug-cc-pv5z-pp_optri Spherical Cu-Zn, Ag-Cd, Au-Hg
aug-cc-pv5z-ri_diffuse Spherical H-He, B-Ne, Al-Ar
aug-cc-pv5z_diffuse Spherical H-He, B-Ne, Al-Ar, Sc-Kr
aug-cc-pv5z_optri Spherical H-He, B-Ne, Al-Ar
aug-cc-pv6+dz Spherical Al-Ar
aug-cc-pv6+dz_diffuse Spherical Al-Ar
aug-cc-pv6z Spherical H-He, B-Ne, Al-Ar
aug-cc-pv6z-ri_diffuse Spherical H-He, B-Ne, Al-Ar
aug-cc-pv6z_diffuse Spherical H-He, B-Ne, Al-Ar
aug-cc-pv7+dz Spherical Al-Cl
aug-cc-pv7z Spherical B-Ne
aug-cc-pvd+dz Spherical Al-Ar
aug-cc-pvd+dz_diffuse Spherical Al-Ar
aug-cc-pvdz Spherical H-Ar, Sc-Kr
aug-cc-pvdz-dk Spherical H-Ar, Sc-Kr
aug-cc-pvdz-dk_diffuse Spherical H-Ar, Sc-Kr
aug-cc-pvdz-pp Spherical Cu-Kr, Y-Xe, Hf-Rn
aug-cc-pvdz-pp-ri_diffuse Spherical Cu-Kr, Ag-Xe, Au-Rn
aug-cc-pvdz-pp_diffuse Spherical Cu-Kr, Y-Xe, Hf-Rn
aug-cc-pvdz-pp_mp2_fitting Spherical Y-Pd, Hf-Pt
aug-cc-pvdz-pp_optri Spherical Cu-Zn, Ag-Cd, Au-Hg
aug-cc-pvdz-ri_diffuse Spherical H-He, B-Ne, Al-Ar, Ga-Kr
aug-cc-pvdz_diffuse Spherical H-Ar, Sc-Kr
aug-cc-pvdz_optri Spherical H-He, B-Ne, Al-Ar
aug-cc-pvq+dz Spherical Al-Ar
aug-cc-pvq+dz_diffuse Spherical Al-Ar
aug-cc-pvqz Spherical H-Ar, Sc-Kr
aug-cc-pvqz-dk Spherical H-Ar, Sc-Kr
aug-cc-pvqz-dk_diffuse Spherical H-Ar, Sc-Kr
aug-cc-pvqz-nr_mp2_fitting Spherical Sc-Zn
aug-cc-pvqz-pp Spherical Cu-Kr, Y-Xe, Hf-Rn
aug-cc-pvqz-pp-ri_diffuse Spherical Cu-Kr, Ag-Xe, Au-Rn
aug-cc-pvqz-pp_diffuse Spherical Cu-Kr, Y-Xe, Hf-Rn
aug-cc-pvqz-pp_mp2_fitting Spherical Y-Pd, Hf-Pt
aug-cc-pvqz-pp_optri Spherical Cu-Zn, Ag-Cd, Au-Hg
aug-cc-pvqz-ri_diffuse Spherical H-He, B-Ne, Al-Ar, Ga-Kr
aug-cc-pvqz_diffuse Spherical H-Ar, Sc-Kr
aug-cc-pvqz_optri Spherical H-He, B-Ne, Al-Ar
aug-cc-pvt+dz Spherical Al-Ar
aug-cc-pvt+dz_diffuse Spherical Al-Ar
aug-cc-pvtz Spherical H-Ar, Sc-Kr
aug-cc-pvtz-dk Spherical H-Ar, Sc-Kr, Y-Pd
aug-cc-pvtz-dk_diffuse Spherical H-Ar, Sc-Kr, Y-Pd
aug-cc-pvtz-j Spherical H, B-F, Al-Cl, Sc-Zn, Se
aug-cc-pvtz-pp Spherical Cu-Kr, Y-Xe, Hf-Rn
aug-cc-pvtz-pp-ri_diffuse Spherical Cu-Kr, Ag-Xe, Au-Rn
aug-cc-pvtz-pp_diffuse Spherical Cu-Kr, Y-Xe, Hf-Rn
aug-cc-pvtz-pp_mp2_fitting Spherical Y-Pd, Hf-Pt
aug-cc-pvtz-pp_optri Spherical Cu-Zn, Ag-Cd, Au-Hg
aug-cc-pvtz-ri_diffuse Spherical H-He, B-Ne, Al-Ar, Ga-Kr
aug-cc-pvtz_diffuse Spherical H-Ar, Sc-Kr
aug-cc-pvtz_mp2_fitting Spherical Sc-Zn
aug-cc-pvtz_optri Spherical H-He, B-Ne, Al-Ar
aug-cc-pwcv5z Spherical B-Ne, Al-Ar
aug-cc-pwcv5z-dk Spherical Sc-Zn
aug-cc-pwcv5z-nr Spherical Sc-Zn
aug-cc-pwcv5z-pp_mp2_fitting Spherical Y-Pd
aug-cc-pwcv5z-pp_optri Spherical Cu-Zn, Ag-Cd, Au-Hg
aug-cc-pwcvdz Spherical B-Ne, Al-Ar
aug-cc-pwcvdz-pp_mp2_fitting Spherical Y-Pd
aug-cc-pwcvdz-pp_optri Spherical Cu-Zn, Ag-Cd, Au-Hg
aug-cc-pwcvqz Spherical B-Ne, Al-Ar, Br
aug-cc-pwcvqz-dk Spherical Sc-Zn
aug-cc-pwcvqz-nr Spherical Sc-Zn
aug-cc-pwcvqz-pp_mp2_fitting Spherical Y-Pd
aug-cc-pwcvqz-pp_optri Spherical Cu-Zn, Ag-Cd, Au-Hg
aug-cc-pwcvtz Spherical B-Ne, Al-Ar
aug-cc-pwcvtz-dk Spherical Sc-Zn, Y-Pd
aug-cc-pwcvtz-nr Spherical Sc-Zn
aug-cc-pwcvtz-nr_mp2_fitting Spherical Sc-Zn
aug-cc-pwcvtz-pp_mp2_fitting Spherical Y-Pd
aug-cc-pwcvtz-pp_optri Spherical Cu-Zn, Ag-Cd, Au-Hg
aug-mcc-pv5z Spherical H
aug-mcc-pv6z Spherical H
aug-mcc-pv7z Spherical H
aug-mcc-pv8z Spherical H
aug-mcc-pvqz Spherical H
aug-mcc-pvtz Spherical H
aug-pc-0 Spherical H-Ca, Ga-Kr
aug-pc-1 Spherical H-Kr
aug-pc-2 Spherical H-Kr
aug-pc-3 Spherical H-Kr
aug-pc-4 Spherical H-Kr
aug-pc-infinity Spherical H-Ar
aug-pcj-0 Spherical H-He, B-Ne, Al-Ar
aug-pcj-0_2006 Spherical H-He, B-Ne, Al-Ar
aug-pcj-1 Spherical H-He, B-Ne, Al-Ar
aug-pcj-1_2006 Spherical H-He, B-Ne, Al-Ar
aug-pcj-2 Spherical H-He, B-Ne, Al-Ar
aug-pcj-2_2006 Spherical H-He, B-Ne, Al-Ar
aug-pcj-3 Spherical H-He, B-Ne, Al-Ar
aug-pcj-3_2006 Spherical H-He, B-Ne, Al-Ar
aug-pcj-4 Spherical H-He, B-Ne, Al-Ar
aug-pcj-4_2006 Spherical H-He, B-Ne, Al-Ar
aug-pcs-0 Spherical H-Ar
aug-pcs-1 Spherical H-Ar
aug-pcs-2 Spherical H-Ar
aug-pcs-3 Spherical H-Ar
aug-pcs-4 Spherical H-Ar
aug-pcseg-0 Spherical H-Kr
aug-pcseg-1 Spherical H-Kr
aug-pcseg-2 Spherical H-Kr
aug-pcseg-3 Spherical H-Kr
aug-pcseg-4 Spherical H-Kr
aug-pcsseg-0 Spherical H-Kr
aug-pcsseg-1 Spherical H-Kr
aug-pcsseg-2 Spherical H-Kr
aug-pcsseg-3 Spherical H-Kr
aug-pcsseg-4 Spherical H-Kr
aug-pv7z Spherical C-F, S
aug-pv7z_diffuse Spherical C-F, S
b2_basis_set_for_zn Spherical Zn
bauschlicher_ano Spherical Sc-Cu
binning-curtiss_1d_polarization Spherical Ga-Kr
binning-curtiss_df_polarization Spherical Ga-Kr
binning_curtiss_sv Spherical Ga-Kr
binning_curtiss_svp Spherical Ga-Kr
binning_curtiss_vtz Spherical Ga-Kr
binning_curtiss_vtzp Spherical Ga-Kr
blaudeau_polarization Cartesian K-Ca
cc-pcv5z Spherical B-Ar, Ca
cc-pcv6z Spherical B-Ne, Al-Ar
cc-pcv6zold Spherical O
cc-pcvdz Spherical Li-Ar, Ca
cc-pcvdz-f12 Spherical Li-Ar
cc-pcvdz-f12_mp2_fitting Spherical Li-Ar
cc-pcvdz-f12_optri Spherical Li-Ar
cc-pcvdzold Spherical Al-Ar
cc-pcvqz Spherical Li-Ar, Ca
cc-pcvqz-f12 Spherical Li-Ar
cc-pcvqz-f12_mp2_fitting Spherical Li-Ar
cc-pcvqz-f12_optri Spherical Li-Ar
cc-pcvqzold Spherical Al-Ar
cc-pcvtz Spherical Li-Ar, Ca
cc-pcvtz-f12 Spherical Li-Ar
cc-pcvtz-f12_mp2_fitting Spherical Li-Ar
cc-pcvtz-f12_optri Spherical Li-Ar
cc-pcvtzold Spherical Al-Ar
cc-pv5+dz Spherical Al-Ar
cc-pv5+dz-ri Spherical Al-Ar
cc-pv5z Spherical H-Ar, Ca-Kr
cc-pv5z-dk Spherical H-Ar, Sc-Kr
cc-pv5z-nr_mp2_fitting Spherical Sc-Zn
cc-pv5z-pp Spherical Cu-Kr, Y-Xe, Hf-Rn
cc-pv5z-pp-ri Spherical Cu-Kr, Ag-Xe, Au-Rn
cc-pv5z-pp_mp2_fitting Spherical Y-Pd, Hf-Pt
cc-pv5z-ri Spherical H-Ar
cc-pv5zfi_sf_fw Spherical H-He, B-Ne, Al-Ar, Ga-Kr
cc-pv5zfi_sf_lc Spherical H-He, B-Ne, Al-Ar, Ga-Kr
cc-pv5zfi_sf_sc Spherical H-He, B-Ne, Al-Ar, Ga-Kr
cc-pv5zpt_sf_fw Spherical H-He, B-Ne, Al-Ar, Ga-Kr
cc-pv5zpt_sf_lc Spherical H-He, B-Ne, Al-Ar, Ga-Kr
cc-pv5zpt_sf_sc Spherical H-He, B-Ne, Al-Ar, Ga-Kr
cc-pv6+dz Spherical Al-Ar
cc-pv6+dz-ri Spherical Al-Ar
cc-pv6z Spherical H-He, B-Ne, Al-Ar
cc-pv6z-ri Spherical H-He, B-Ne, Al-Ar
cc-pv8z Spherical H, Ne
cc-pv9z Spherical Ne
cc-pvd+dz Spherical Al-Ar
cc-pvd+dz-ri Spherical Al-Ar
cc-pvdz Spherical H-Ar, Ca-Kr
cc-pvdz-dk Spherical H-Ar, Sc-Kr
cc-pvdz-dk3 Spherical La-Lu
cc-pvdz-f12 Spherical H-Ar
cc-pvdz-f12_mp2_fitting Spherical H-Ar
cc-pvdz-f12_optri Spherical H, Li-Ar
cc-pvdz-fit2-1 Spherical H-Ne
cc-pvdz-pp Spherical Cu-Kr, Y-Xe, Hf-Rn
cc-pvdz-pp-ri Spherical Cu-Kr, Ag-Xe, Au-Rn
cc-pvdz-pp_mp2_fitting Spherical Y-Pd, Hf-Pt
cc-pvdz-ri Spherical H-Ar, Ga-Kr
cc-pvdzfi_sf_fw Spherical H-He, B-Ne, Al-Ar, Ga-Kr
cc-pvdzfi_sf_lc Spherical H-He, B-Ne, Al-Ar, Ga-Kr
cc-pvdzfi_sf_sc Spherical H-He, B-Ne, Al-Ar, Ga-Kr
cc-pvdzpt_sf_fw Spherical H-He, B-Ne, Al-Ar, Ga-Kr
cc-pvdzpt_sf_lc Spherical H-He, B-Ne, Al-Ar, Ga-Kr
cc-pvdzpt_sf_sc Spherical H-He, B-Ne, Al-Ar, Ga-Kr
cc-pvdzseg-opt Spherical H-Ar, Ga-Kr
cc-pvq+dz Spherical Al-Ar
cc-pvq+dz-ri Spherical Al-Ar
cc-pvqz Spherical H-Ar, Ca-Kr
cc-pvqz-dk Spherical H-Ar, Sc-Kr
cc-pvqz-dk3 Spherical La-Lu
cc-pvqz-f12 Spherical H-Ar
cc-pvqz-f12_mp2_fitting Spherical H-Ar
cc-pvqz-f12_optri Spherical H, Li-Ar
cc-pvqz-nr_mp2_fitting Spherical Sc-Zn
cc-pvqz-pp Spherical Cu-Kr, Y-Xe, Hf-Rn
cc-pvqz-pp-ri Spherical Cu-Kr, Ag-Xe, Au-Rn
cc-pvqz-pp_mp2_fitting Spherical Y-Pd, Hf-Pt
cc-pvqz-ri Spherical H-Ar, Ga-Kr
cc-pvqzfi_sf_fw Spherical H-He, B-Ne, Al-Ar, Ga-Kr
cc-pvqzfi_sf_lc Spherical H-He, B-Ne, Al-Ar, Ga-Kr
cc-pvqzfi_sf_sc Spherical H-He, B-Ne, Al-Ar, Ga-Kr
cc-pvqzpt_sf_fw Spherical H-He, B-Ne, Al-Ar, Ga-Kr
cc-pvqzpt_sf_lc Spherical H-He, B-Ne, Al-Ar, Ga-Kr
cc-pvqzpt_sf_sc Spherical H-He, B-Ne, Al-Ar, Ga-Kr
cc-pvqzseg-opt Spherical H-He, C, O
cc-pvt+dz Spherical Al-Ar
cc-pvt+dz+ Spherical H, C-O, S-Cl
cc-pvt+dz-dk Spherical Al-Ar
cc-pvt+dz-ri Spherical Al-Ar
cc-pvtz Spherical H-Ar, Ca-Kr
cc-pvtz-dk Spherical H-Ar, Sc-Kr, Y-Pd
cc-pvtz-dk3 Spherical La-Lu
cc-pvtz-f12 Spherical H-Ar
cc-pvtz-f12_mp2_fitting Spherical H-Ar
cc-pvtz-f12_optri Spherical H, Li-Ar
cc-pvtz-fit2-1 Spherical H-Ne
cc-pvtz-pp Spherical Cu-Kr, Y-Xe, Hf-Rn
cc-pvtz-pp-ri Spherical Cu-Kr, Ag-Xe, Hf-Rn
cc-pvtz-pp_mp2_fitting Spherical Y-Pd, Hf-Pt
cc-pvtz-ri Spherical H-Ar, Ga-Kr
cc-pvtz_mp2_fitting Spherical Sc-Zn
cc-pvtzfi_sf_fw Spherical H-He, B-Ne, Al-Ar, Ga-Kr
cc-pvtzfi_sf_lc Spherical H-He, B-Ne, Al-Ar, Ga-Kr
cc-pvtzfi_sf_sc Spherical H-He, B-Ne, Al-Ar, Ga-Kr
cc-pvtzpt_sf_fw Spherical H-He, B-Ne, Al-Ar, Ga-Kr
cc-pvtzpt_sf_lc Spherical H-He, B-Ne, Al-Ar, Ga-Kr
cc-pvtzpt_sf_sc Spherical H-He, B-Ne, Al-Ar, Ga-Kr
cc-pvtzseg-opt Spherical H-Ar, Ga-Kr
cc-pwcv5z Spherical B-Ne, Al-Ar
cc-pwcv5z-dk Spherical Sc-Zn
cc-pwcv5z-nr Spherical Sc-Zn
cc-pwcv5z-pp Spherical Cu-Kr, Y-Xe, Hf-Rn
cc-pwcv5z-pp_mp2_fitting Spherical Y-Pd, Hf-Pt
cc-pwcv5z-ri Spherical Cu-Zn, Ag-Cd, Au-Hg
cc-pwcv5z-ri_tight Spherical B-Ne, Al-Ar
cc-pwcv5z_core_set Spherical B-Ne, Al-Ar
cc-pwcv5z_tight Spherical B-Ne, Al-Ar
cc-pwcvdz Spherical B-Ne, Al-Ar
cc-pwcvdz-dk3 Spherical La-Lu
cc-pwcvdz-pp Spherical Cu-Kr, Y-Xe, Hf-Rn
cc-pwcvdz-pp_mp2_fitting Spherical Y-Pd, Hf-Pt
cc-pwcvdz-ri Spherical Cu-Zn, Ag-Cd, Au-Hg
cc-pwcvdz-ri_tight Spherical B-Ne, Al-Ar
cc-pwcvdz_tight Spherical B-Ne, Al-Ar
cc-pwcvqz Spherical B-Ne, Al-Ar, Br
cc-pwcvqz-dk Spherical Sc-Zn
cc-pwcvqz-dk3 Spherical La-Lu
cc-pwcvqz-nr Spherical Sc-Zn
cc-pwcvqz-pp Spherical Cu-Kr, Y-Xe, Hf-Rn
cc-pwcvqz-pp_mp2_fitting Spherical Y-Pd, Hf-Pt
cc-pwcvqz-ri Spherical Cu-Zn, Ag-Cd, Au-Hg
cc-pwcvqz-ri_tight Spherical B-Ne, Al-Ar
cc-pwcvqz_tight Spherical B-Ne, Al-Ar, Br
cc-pwcvtz Spherical B-Ne, Al-Ar
cc-pwcvtz-dk Spherical Sc-Zn, Y-Pd
cc-pwcvtz-dk3 Spherical La-Lu
cc-pwcvtz-nr Spherical Sc-Zn
cc-pwcvtz-nr_mp2_fitting Spherical Sc-Zn
cc-pwcvtz-pp Spherical Cu-Kr, Y-Xe, Hf-Rn
cc-pwcvtz-pp_mp2_fitting Spherical Y-Pd, Hf-Pt
cc-pwcvtz-ri Spherical Cu-Zn, Ag-Cd, Au-Hg
cc-pwcvtz-ri_tight Spherical B-Ne, Al-Ar
cc-pwcvtz_tight Spherical B-Ne, Al-Ar
ccemd-2 Spherical H-Ar
ccemd-3 Spherical H-Ar
ccj-pv5z Spherical H-He, B-Ne
ccj-pvdz Spherical H-He, B-Ne
ccj-pvqz Spherical H-He, B-Ne
ccj-pvtz Spherical H-He, B-Ne
chipman_dzp_+_diffuse Spherical H, B-F
coemd-2 Spherical H-Ar
coemd-3 Spherical H-Ar
coemd-4 Spherical H-Ar
coemd-ref Spherical H-Ar
cologne_dkh2 Spherical La-Lu
core_valence_functions_cc-pcv5z Spherical B-Ar, Ca
core_valence_functions_cc-pcv6z Spherical B-Ne, Al-Ar
core_valence_functions_cc-pcv6zold Spherical O
core_valence_functions_cc-pcvdz Spherical Li-Ar, Ca
core_valence_functions_cc-pcvdzold Spherical Al-Ar
core_valence_functions_cc-pcvqz Spherical Li-Ar, Ca
core_valence_functions_cc-pcvqzold Spherical Al-Ar
core_valence_functions_cc-pcvtz Spherical Li-Ar, Ca
core_valence_functions_cc-pcvtzold Spherical Al-Ar
crenbl_ecp Spherical H, Li-Mt
crenbs_ecp Spherical Sc-Kr, Y-Xe, La, Hf-Rn, Rf-Mt
cvtz Spherical Li-Be, Na-Mg, K-Ca
d-aug-cc-pv5z Spherical H-He, B-Ne
d-aug-cc-pv5z_diffuse Spherical H-He, B-Ne
d-aug-cc-pv6z Spherical H, B-O
d-aug-cc-pv6z_diffuse Spherical H, B-O
d-aug-cc-pvdz Spherical H-He, B-Ne
d-aug-cc-pvdz_diffuse Spherical H-He, B-Ne
d-aug-cc-pvqz Spherical H-He, B-Ne
d-aug-cc-pvqz_diffuse Spherical H-He, B-Ne
d-aug-cc-pvtz Spherical H-He, B-Ne
d-aug-cc-pvtz_diffuse Spherical H-He, B-Ne
def2-ecp Cartesian Rb-La, Hf-Rn
def2-qzvp Spherical H-La, Hf-Rn
def2-qzvpd Spherical H-La, Hf-Rn
def2-qzvpp Spherical H-La, Hf-Rn
def2-qzvppd Spherical H-La, Hf-Rn
def2-svp Spherical H-La, Hf-Rn
def2-svpd Spherical H-La, Hf-Rn
def2-tzvp Spherical H-La, Hf-Rn
def2-tzvpd Spherical H-La, Hf-Rn
def2-tzvpp Spherical H-La, Hf-Rn
def2-tzvppd Spherical H-La, Hf-Rn
demon_coulomb_fitting Cartesian H-Xe
dgauss_a1_dft_coulomb_fitting Cartesian H-Xe
dgauss_a1_dft_exchange_fitting Cartesian H-Xe
dgauss_a2_dft_coulomb_fitting Cartesian H-Ar, Sc-Zn
dgauss_a2_dft_exchange_fitting Cartesian H-Zn
dhf-ecp Cartesian Rb-Ba, Hf-Rn
dhf-qzvp Spherical Rb-Ba, Hf-Rn
dhf-qzvpp Spherical Rb-Ba, Hf-Rn
dhf-svp Spherical Rb-Ba, Hf-Rn
dhf-tzvp Spherical Rb-Ba, Hf-Rn
dhf-tzvpp Spherical Rb-Ba, Hf-Rn
dhms_polarization Cartesian H-Ne, Al-Cl
dunning-hay_diffuse Cartesian H, Li-Ne
dunning-hay_double_rydberg Cartesian B-Ne, Al-Ar
dunning-hay_rydberg Cartesian B-Ne, Al-Ar
dz_+_double_rydberg_dunning-hay Cartesian B-Ne, Al-Cl
dz_+_rydberg_dunning Cartesian B-Ne, Al-Cl
dz_dunning Cartesian H, Li, B-Ne, Al-Cl
dzp Spherical H-La, Hf-Rn
dzp-dkh Spherical H-La, Hf-Rn
dzp_+_diffuse_dunning Cartesian H, Li, B-Ne
dzp_+_rydberg_dunning Cartesian B-Ne, Al-Cl
dzp_dunning Cartesian H, Li, B-Ne, Al-Cl
dzq Spherical Y-Ag
dzvp2_dft_orbital Cartesian H-F, Al-Ar, Sc-Zn
dzvp_dft_orbital Cartesian H-Xe
feller_misc._cvdz Spherical K
feller_misc._cvqz Spherical K
feller_misc._cvtz Spherical K
g3largexp Spherical H-Kr
g3mp2large Spherical H-Ca, Ga-Kr
g3mp2largexp Spherical H-Kr
gamess_pvtz Cartesian H, Be-Ar
gamess_vtz Cartesian H, Be-Ar
glendening_polarization Spherical K, Rb, Cs
hay-wadt_mb_n+1_ecp Spherical K-Cu, Rb-Ag, Cs-La, Hf-Au
hay-wadt_vdz_n+1_ecp Spherical K-Cu, Rb-Ag, Cs-La, Ta-Au
hay_wadt_n-1_ecp Cartesian K-Cu, Rb-Ag, Cs-La, Hf-Au
hondo7_polarization Cartesian H-He, Be-Ar
huzinaga_polarization Cartesian K-Ca, Ga-Sr, In-Xe, Tl-Rn
iglo-ii Cartesian H, B-F, Al-Cl
iglo-iii Cartesian H, B-F, Al-Cl
jul-cc-pvd+dz Spherical H-Ar
jul-cc-pvq+dz Spherical H-Ar
jul-cc-pvt+dz Spherical H-Ar
jun-cc-pvd+dz Spherical H-Ar
jun-cc-pvq+dz Spherical H-Ar
jun-cc-pvt+dz Spherical H-Ar
lanl08 Spherical Na-La, Hf-Bi
lanl08+ Spherical Sc-Zn
lanl08d Spherical Si-Cl, Ge-Br, Sn-I, Pb-Bi
lanl08f Spherical Sc-Cu, Y-Ag, La, Hf-Au
lanl2-10s8p7d3f2g Spherical Rh
lanl2-5s4p4d2f Spherical Rh
lanl2-6s4p4d2f Spherical Rh
lanl2-[10s8p7d3f2g Spherical Rh
lanl2-[5s4p4d2f Spherical Rh
lanl2-[6s4p4d2f Spherical Rh
lanl2dz+1d1f Spherical Rh
lanl2dz+2s2p2d2f Spherical Rh
lanl2dz_ecp Spherical H, Li-La, Hf-Bi, U-Pu
lanl2dzdp_ecp Spherical H, C-F, Si-Cl, Ge-Br, Sn-I, Pb-Bi
lanl2dzdp_ecp_polarization Spherical H, C-F, Si-Cl, Ge-Br, Sn-I, Pb-Bi
lanl2tz Spherical Sc-Zn, Y-Cd, La, Hf-Hg
lanl2tz+ Spherical Sc-Zn
lanl2tzf Spherical Sc-Cu, Y-Ag, La, Hf-Au
m6-31g Spherical Sc-Cu
m6-31gs Spherical Sc-Cu
ma-qzvp Spherical H-Rn
ma-qzvpp Spherical H-Rn
ma-svp Spherical H-Rn
ma-svpp Spherical H-Rn
ma-tzvp Spherical H-Rn
ma-tzvpp Spherical H-Rn
maug-cc-pvd+dz Spherical H-Ar
maug-cc-pvdz Spherical H-Ar
maug-cc-pvq+dz Spherical H-Ar
maug-cc-pvqz Spherical H-Ar
maug-cc-pvt+dz Spherical H-Ar
maug-cc-pvtz Spherical H-Ar
may-cc-pvq+dz Spherical H-Ar
may-cc-pvt+dz Spherical H-Ar
mclean_chandler_vtz Cartesian Na-Ar
mg3s Spherical H-Ar
midi! Spherical H, C-F, Si-Cl, Br, I
midi_huzinaga Cartesian H-Na, Al-K, Cs
mini_huzinaga Cartesian H-Ca
mini_scaled Cartesian H-Ca
minis-bsip1 Spherical H, C-F, P-Cl
modified_lanl2dz Spherical Sc-Cu, Y-Ag, La, Hf-Au
nasa_ames_ano Spherical H, B-Ne, Al, P, Ti, Fe, Ni
nasa_ames_ano2 Spherical Sc-V
nasa_ames_cc-pcv5z Spherical Ti
nasa_ames_cc-pcvqz Spherical Ti
nasa_ames_cc-pcvtz Spherical Ti
nasa_ames_cc-pv5z Spherical Ti, Fe
nasa_ames_cc-pvqz Spherical Ti, Fe
nasa_ames_cc-pvtz Spherical Ti, Fe
nlo-v Spherical H, B-F, Si-Cl
nmr-dkh_tz2p Spherical H-Ca, Ga-Sr, In-Xe, Pt
partridge_uncontracted_1 Spherical Li-Sr
partridge_uncontracted_2 Spherical Li-Kr
partridge_uncontracted_3 Spherical Li-Zn
partridge_uncontracted_4 Spherical Sc-Zn
pc-0 Spherical H-Ca, Ga-Kr
pc-1 Spherical H-Kr
pc-2 Spherical H-Kr
pc-3 Spherical H-Kr
pc-4 Spherical H-Kr
pcemd-2 Spherical H-Ar
pcemd-3 Spherical H-Ar
pcemd-4 Spherical H-Ar
pcj-0 Spherical H-He, B-Ne, Al-Ar
pcj-0_2006 Spherical H-He, B-Ne, Al-Ar
pcj-1 Spherical H-He, B-Ne, Al-Ar
pcj-1_2006 Spherical H-He, B-Ne, Al-Ar
pcj-2 Spherical H-He, B-Ne, Al-Ar
pcj-2_2006 Spherical H-He, B-Ne, Al-Ar
pcj-3 Spherical H-He, B-Ne, Al-Ar
pcj-3_2006 Spherical H-He, B-Ne, Al-Ar
pcj-4 Spherical H-He, B-Ne, Al-Ar
pcj-4_2006 Spherical H-He, B-Ne, Al-Ar
pcs-0 Spherical H-Ar
pcs-1 Spherical H-Ar
pcs-2 Spherical H-Ar
pcs-3 Spherical H-Ar
pcs-4 Spherical H-Ar
pcseg-0 Spherical H-Kr
pcseg-1 Spherical H-Kr
pcseg-2 Spherical H-Kr
pcseg-3 Spherical H-Kr
pcseg-4 Spherical H-Kr
pcsseg-0 Spherical H-Kr
pcsseg-1 Spherical H-Kr
pcsseg-2 Spherical H-Kr
pcsseg-3 Spherical H-Kr
pcsseg-4 Spherical H-Kr
pople-style_diffuse Spherical H, Li-Ca
pople_2d_2p_polarization Spherical H-Ca, Ga-Kr
pople_2df_2pd_polarization Spherical H-Ne, K-Ca
pople_3df_3pd_polarization Spherical H-Ar
psbkjc Spherical C-F, Si-Cl, Ge-Br, Sn-I
pt_-_mdzp Spherical Pt
pv6z Spherical H, C-O
pv7z Spherical H, C-Ne, S
q-aug-cc-pv5z_diffuse Spherical H-He, B-Ne
q-aug-cc-pv6z_diffuse Spherical H-He, B-Ne
q-aug-cc-pvdz_diffuse Spherical H-He, B-Ne, Cl
q-aug-cc-pvqz_diffuse Spherical H-He, B-Ne, Cl
q-aug-cc-pvtz_diffuse Spherical H-He, B-Ne, Cl
qzp Spherical H-Xe
qzp-dkh Spherical H-Xe
roos-ano-dz Spherical H-Zn
roos-ano-tz Spherical H-Ar, Sc-Zn
roos_augmented_double_zeta_ano Spherical H-Zn
roos_augmented_triple_zeta_ano Spherical H-Ar, Sc-Zn
s3-21g Spherical Sc-Zn
s3-21gs Spherical Sc-Zn
s6-31g Spherical Sc-Zn
s6-31gs Spherical Sc-Zn
sadlej+ Spherical H, C-O
sadlej_pvtz Spherical H, Li-Be, C-F, Na-Mg, Si-Cl, K-Ca, Br, Rb-Sr, I
sarc-dkh Spherical La-Rn, Ac-Lr
sarc-zora Spherical La-Rn, Ac-Lr
sarc2-qzv-dkh Spherical La-Lu
sarc2-qzv-dkh_jk Spherical La-Lu
sarc2-qzv-zora Spherical La-Lu
sarc2-qzv-zora_jk Spherical La-Lu
sarc2-qzvp-dkh Spherical La-Lu
sarc2-qzvp-dkh_jk Spherical La-Lu
sarc2-qzvp-zora Spherical La-Lu
sarc2-qzvp-zora_jk Spherical La-Lu
sbkjc_ecp Cartesian Li-Ce, Hf-Rn
sbkjc_polarized_p_2d_-_lfk Spherical H-Ca, Ge-Sr, Sn-Ba, Pb-Rn
sbkjc_vdz_ecp Cartesian H-Ce, Hf-Rn
sdb-aug-cc-pvqz Spherical Ga-Br, In-I
sdb-aug-cc-pvqz_diffuse Spherical Ga-Br, In-I
sdb-aug-cc-pvtz Spherical Ga-Br, In-I
sdb-aug-cc-pvtz_diffuse Spherical Ga-Br, In-I
sdb-cc-pvqz Spherical Ga-Kr, In-Xe
sdb-cc-pvtz Spherical Ga-Kr, In-Xe
sdb_rlc_ecp Cartesian Ga-Kr, In-Xe
sto-2g Cartesian H-Ca, Sr
sto-3g Spherical H-I
sto-3gs Spherical Na-Ar
sto-3gs_polarization Spherical Na-Ar
sto-6g Spherical H-Kr
stuttgart-koeln_mcdhf_rsc_ecp Cartesian Cu-Kr, Y-Xe, Hf-Rn
stuttgart_rlc_ecp Spherical Li-Ca, Zn-Sr, In-Ba, Hg-Rn, Ac-Lr
stuttgart_rsc_1997_ecp Spherical K-Zn, Rb-Cd, Cs-Hg, Ac-Lr, Db
stuttgart_rsc_ano_ecp Spherical La-Lu
stuttgart_rsc_ecp Cartesian La-Lu
stuttgart_rsc_segmented_ecp Spherical La-Lu
sv_+_double_rydberg_dunning-hay Cartesian B-Ne
sv_+_rydberg_dunning-hay Cartesian B-Ne
sv_dunning-hay Cartesian H, Li-Ne
svp_+diffuse+_rydberg Cartesian B-Ne
svp_+_diffuse_dunning-hay Cartesian H, Li-Ne
svp_+_rydberg_dunning-hay Cartesian B-Ne
svp_dunning-hay Cartesian H, Li-Ne
t-aug-cc-pv5z_diffuse Spherical H-He, B-Ne
t-aug-cc-pv6z_diffuse Spherical H-He, B-Ne
t-aug-cc-pvdz_diffuse Spherical H-He, B-Ne, Cl
t-aug-cc-pvqz_diffuse Spherical H-He, B-Ne, Cl
t-aug-cc-pvtz_diffuse Spherical H-He, B-Ne, Cl
tz_dunning Spherical H, Li-Ne
tzp Spherical H-Xe
tzp-dkh Spherical H-Xe
tzvp_dft_orbital Cartesian H, C-F, Al-Ar
ugbs Spherical H-Th, Pu-Am, Cf-Lr
un-ccemd-ref Spherical H-Ar
un-pcemd-ref Spherical H-Ar
wachters+f Spherical Sc-Cu
weigend_coulomb_fitting Spherical H-La, Hf-Rn
wtbs Spherical He-Rn
x2c-coulomb-fitting Spherical H-Rn
x2c-svpall Spherical H-Rn
x2c-svpall-2c Spherical H-Rn
x2c-tzvpall Spherical H-Rn
x2c-tzvpall-2c Spherical H-Rn
x2c-tzvppall Spherical H-Rn
x2c-tzvppall-2c Spherical H-Rn
z3pol Spherical H, C-F, Si-Cl