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