Auxiliary Basis Sets



Auxiliary basis set defaults in PSI4
Basis Family Orbital basis JK auxiliary basis MP2 auxiliary basis DUAL auxiliary basis
cc-pVDZ cc-pvdz cc-pvdz-jkfit cc-pvdz-ri
cc-pV(D+d)Z cc-pv_dpd_z cc-pvdz-jkfit cc-pvdz-ri
cc-pCVDZ cc-pcvdz
cc-pCV(D+d)Z cc-pcv_dpd_z
cc-pwCVDZ cc-pwcvdz cc-pwcvdz-ri
cc-pwCV(D+d)Z cc-pwcv_dpd_z cc-pwcvdz-ri
aug-cc-pVDZ aug-cc-pvdz aug-cc-pvdz-jkfit aug-cc-pvdz-ri aug-cc-pvdz-dual
aug-cc-pV(D+d)Z aug-cc-pv_dpd_z aug-cc-pvdz-jkfit aug-cc-pvdz-ri
aug-cc-pCVDZ aug-cc-pcvdz
aug-cc-pCV(D+d)Z aug-cc-pcv_dpd_z
aug-cc-pwCVDZ aug-cc-pwcvdz aug-cc-pwcvdz-ri
aug-cc-pwCV(D+d)Z aug-cc-pwcv_dpd_z aug-cc-pwcvdz-ri
heavy-aug-cc-pVDZ heavy-aug-cc-pvdz heavy-aug-cc-pvdz-jkfit heavy-aug-cc-pvdz-ri
heavy-aug-cc-pV(D+d)Z heavy-aug-cc-pv_dpd_z heavy-aug-cc-pvdz-jkfit heavy-aug-cc-pvdz-ri
heavy-aug-cc-pCVDZ heavy-aug-cc-pcvdz
heavy-aug-cc-pCV(D+d)Z heavy-aug-cc-pcv_dpd_z
heavy-aug-cc-pwCVDZ heavy-aug-cc-pwcvdz heavy-aug-cc-pwcvdz-ri
heavy-aug-cc-pwCV(D+d)Z heavy-aug-cc-pwcv_dpd_z heavy-aug-cc-pwcvdz-ri
jun-cc-pVDZ jun-cc-pvdz jun-cc-pvdz-jkfit jun-cc-pvdz-ri
jun-cc-pV(D+d)Z jun-cc-pv_dpd_z jun-cc-pvdz-jkfit jun-cc-pvdz-ri
jun-cc-pCVDZ jun-cc-pcvdz
jun-cc-pCV(D+d)Z jun-cc-pcv_dpd_z
jun-cc-pwCVDZ jun-cc-pwcvdz jun-cc-pwcvdz-ri
jun-cc-pwCV(D+d)Z jun-cc-pwcv_dpd_z jun-cc-pwcvdz-ri
d-aug-cc-pVDZ d-aug-cc-pvdz
d-aug-cc-pCVDZ d-aug-cc-pcvdz
d-aug-cc-pwCVDZ d-aug-cc-pwcvdz
cc-pVDZ-DK cc-pvdz-dk
cc-pCVDZ-DK cc-pcvdz-dk
aug-cc-pVDZ-DK aug-cc-pvdz-dk
aug-cc-pCVDZ-DK aug-cc-pcvdz-dk
heavy-aug-cc-pVDZ-DK heavy-aug-cc-pvdz-dk
heavy-aug-cc-pCVDZ-DK heavy-aug-cc-pcvdz-dk
cc-pVTZ cc-pvtz cc-pvtz-jkfit cc-pvtz-ri cc-pvtz-dual
cc-pV(T+d)Z cc-pv_tpd_z cc-pvtz-jkfit cc-pvtz-ri
cc-pCVTZ cc-pcvtz
cc-pCV(T+d)Z cc-pcv_tpd_z
cc-pwCVTZ cc-pwcvtz cc-pwcvtz-ri
cc-pwCV(T+d)Z cc-pwcv_tpd_z cc-pwcvtz-ri
aug-cc-pVTZ aug-cc-pvtz aug-cc-pvtz-jkfit aug-cc-pvtz-ri aug-cc-pvtz-dual
aug-cc-pV(T+d)Z aug-cc-pv_tpd_z aug-cc-pvtz-jkfit aug-cc-pvtz-ri
aug-cc-pCVTZ aug-cc-pcvtz
aug-cc-pCV(T+d)Z aug-cc-pcv_tpd_z
aug-cc-pwCVTZ aug-cc-pwcvtz aug-cc-pwcvtz-ri
aug-cc-pwCV(T+d)Z aug-cc-pwcv_tpd_z aug-cc-pwcvtz-ri
heavy-aug-cc-pVTZ heavy-aug-cc-pvtz heavy-aug-cc-pvtz-jkfit heavy-aug-cc-pvtz-ri heavy-aug-cc-pvtz-dual
heavy-aug-cc-pV(T+d)Z heavy-aug-cc-pv_tpd_z heavy-aug-cc-pvtz-jkfit heavy-aug-cc-pvtz-ri
heavy-aug-cc-pCVTZ heavy-aug-cc-pcvtz
heavy-aug-cc-pCV(T+d)Z heavy-aug-cc-pcv_tpd_z
heavy-aug-cc-pwCVTZ heavy-aug-cc-pwcvtz heavy-aug-cc-pwcvtz-ri
heavy-aug-cc-pwCV(T+d)Z heavy-aug-cc-pwcv_tpd_z heavy-aug-cc-pwcvtz-ri
jun-cc-pVTZ jun-cc-pvtz jun-cc-pvtz-jkfit jun-cc-pvtz-ri
jun-cc-pV(T+d)Z jun-cc-pv_tpd_z jun-cc-pvtz-jkfit jun-cc-pvtz-ri
jun-cc-pCVTZ jun-cc-pcvtz
jun-cc-pCV(T+d)Z jun-cc-pcv_tpd_z
jun-cc-pwCVTZ jun-cc-pwcvtz jun-cc-pwcvtz-ri
jun-cc-pwCV(T+d)Z jun-cc-pwcv_tpd_z jun-cc-pwcvtz-ri
may-cc-pVTZ may-cc-pvtz may-cc-pvtz-jkfit may-cc-pvtz-ri
may-cc-pV(T+d)Z may-cc-pv_tpd_z may-cc-pvtz-jkfit may-cc-pvtz-ri
may-cc-pCVTZ may-cc-pcvtz
may-cc-pCV(T+d)Z may-cc-pcv_tpd_z
may-cc-pwCVTZ may-cc-pwcvtz may-cc-pwcvtz-ri
may-cc-pwCV(T+d)Z may-cc-pwcv_tpd_z may-cc-pwcvtz-ri
d-aug-cc-pVTZ d-aug-cc-pvtz
d-aug-cc-pCVTZ d-aug-cc-pcvtz
d-aug-cc-pwCVTZ d-aug-cc-pwcvtz
cc-pVTZ-DK cc-pvtz-dk
cc-pCVTZ-DK cc-pcvtz-dk
cc-pwCVTZ-DK cc-pwcvtz-dk
aug-cc-pVTZ-DK aug-cc-pvtz-dk
aug-cc-pCVTZ-DK aug-cc-pcvtz-dk
aug-cc-pwCVTZ-DK aug-cc-pwcvtz-dk
heavy-aug-cc-pVTZ-DK heavy-aug-cc-pvtz-dk
heavy-aug-cc-pCVTZ-DK heavy-aug-cc-pcvtz-dk
heavy-aug-cc-pwCVTZ-DK heavy-aug-cc-pwcvtz-dk
cc-pVQZ cc-pvqz cc-pvqz-jkfit cc-pvqz-ri cc-pvqz-dual
cc-pV(Q+d)Z cc-pv_qpd_z cc-pvqz-jkfit cc-pvqz-ri
cc-pCVQZ cc-pcvqz
cc-pCV(Q+d)Z cc-pcv_qpd_z
cc-pwCVQZ cc-pwcvqz cc-pwcvqz-ri
cc-pwCV(Q+d)Z cc-pwcv_qpd_z cc-pwcvqz-ri
aug-cc-pVQZ aug-cc-pvqz aug-cc-pvqz-jkfit aug-cc-pvqz-ri aug-cc-pvqz-dual
aug-cc-pV(Q+d)Z aug-cc-pv_qpd_z aug-cc-pvqz-jkfit aug-cc-pvqz-ri
aug-cc-pCVQZ aug-cc-pcvqz
aug-cc-pCV(Q+d)Z aug-cc-pcv_qpd_z
aug-cc-pwCVQZ aug-cc-pwcvqz aug-cc-pwcvqz-ri
aug-cc-pwCV(Q+d)Z aug-cc-pwcv_qpd_z aug-cc-pwcvqz-ri
heavy-aug-cc-pVQZ heavy-aug-cc-pvqz heavy-aug-cc-pvqz-jkfit heavy-aug-cc-pvqz-ri heavy-aug-cc-pvqz-dual
heavy-aug-cc-pV(Q+d)Z heavy-aug-cc-pv_qpd_z heavy-aug-cc-pvqz-jkfit heavy-aug-cc-pvqz-ri
heavy-aug-cc-pCVQZ heavy-aug-cc-pcvqz
heavy-aug-cc-pCV(Q+d)Z heavy-aug-cc-pcv_qpd_z
heavy-aug-cc-pwCVQZ heavy-aug-cc-pwcvqz heavy-aug-cc-pwcvqz-ri
heavy-aug-cc-pwCV(Q+d)Z heavy-aug-cc-pwcv_qpd_z heavy-aug-cc-pwcvqz-ri
jun-cc-pVQZ jun-cc-pvqz jun-cc-pvqz-jkfit jun-cc-pvqz-ri
jun-cc-pV(Q+d)Z jun-cc-pv_qpd_z jun-cc-pvqz-jkfit jun-cc-pvqz-ri
jun-cc-pCVQZ jun-cc-pcvqz
jun-cc-pCV(Q+d)Z jun-cc-pcv_qpd_z
jun-cc-pwCVQZ jun-cc-pwcvqz jun-cc-pwcvqz-ri
jun-cc-pwCV(Q+d)Z jun-cc-pwcv_qpd_z jun-cc-pwcvqz-ri
may-cc-pVQZ may-cc-pvqz may-cc-pvqz-jkfit may-cc-pvqz-ri
may-cc-pV(Q+d)Z may-cc-pv_qpd_z may-cc-pvqz-jkfit may-cc-pvqz-ri
may-cc-pCVQZ may-cc-pcvqz
may-cc-pCV(Q+d)Z may-cc-pcv_qpd_z
may-cc-pwCVQZ may-cc-pwcvqz may-cc-pwcvqz-ri
may-cc-pwCV(Q+d)Z may-cc-pwcv_qpd_z may-cc-pwcvqz-ri
apr-cc-pVQZ apr-cc-pvqz apr-cc-pvqz-jkfit apr-cc-pvqz-ri
apr-cc-pV(Q+d)Z apr-cc-pv_qpd_z apr-cc-pvqz-jkfit apr-cc-pvqz-ri
apr-cc-pCVQZ apr-cc-pcvqz
apr-cc-pCV(Q+d)Z apr-cc-pcv_qpd_z
apr-cc-pwCVQZ apr-cc-pwcvqz apr-cc-pwcvqz-ri
apr-cc-pwCV(Q+d)Z apr-cc-pwcv_qpd_z apr-cc-pwcvqz-ri
d-aug-cc-pVQZ d-aug-cc-pvqz
d-aug-cc-pCVQZ d-aug-cc-pcvqz
d-aug-cc-pwCVQZ d-aug-cc-pwcvqz
cc-pVQZ-DK cc-pvqz-dk
cc-pCVQZ-DK cc-pcvqz-dk
cc-pwCVQZ-DK cc-pwcvqz-dk
aug-cc-pVQZ-DK aug-cc-pvqz-dk
aug-cc-pCVQZ-DK aug-cc-pcvqz-dk
aug-cc-pwCVQZ-DK aug-cc-pwcvqz-dk
heavy-aug-cc-pVQZ-DK heavy-aug-cc-pvqz-dk
heavy-aug-cc-pCVQZ-DK heavy-aug-cc-pcvqz-dk
heavy-aug-cc-pwCVQZ-DK heavy-aug-cc-pwcvqz-dk
cc-pV5Z cc-pv5z cc-pv5z-jkfit cc-pv5z-ri
cc-pV(5+d)Z cc-pv_5pd_z cc-pv5z-jkfit cc-pv5z-ri
cc-pCV5Z cc-pcv5z
cc-pCV(5+d)Z cc-pcv_5pd_z
cc-pwCV5Z cc-pwcv5z cc-pwcv5z-ri
cc-pwCV(5+d)Z cc-pwcv_5pd_z cc-pwcv5z-ri
aug-cc-pV5Z aug-cc-pv5z aug-cc-pv5z-jkfit aug-cc-pv5z-ri
aug-cc-pV(5+d)Z aug-cc-pv_5pd_z aug-cc-pv5z-jkfit aug-cc-pv5z-ri
aug-cc-pCV5Z aug-cc-pcv5z
aug-cc-pCV(5+d)Z aug-cc-pcv_5pd_z
aug-cc-pwCV5Z aug-cc-pwcv5z aug-cc-pwcv5z-ri
aug-cc-pwCV(5+d)Z aug-cc-pwcv_5pd_z aug-cc-pwcv5z-ri
heavy-aug-cc-pV5Z heavy-aug-cc-pv5z heavy-aug-cc-pv5z-jkfit heavy-aug-cc-pv5z-ri
heavy-aug-cc-pV(5+d)Z heavy-aug-cc-pv_5pd_z heavy-aug-cc-pv5z-jkfit heavy-aug-cc-pv5z-ri
heavy-aug-cc-pCV5Z heavy-aug-cc-pcv5z
heavy-aug-cc-pCV(5+d)Z heavy-aug-cc-pcv_5pd_z
heavy-aug-cc-pwCV5Z heavy-aug-cc-pwcv5z heavy-aug-cc-pwcv5z-ri
heavy-aug-cc-pwCV(5+d)Z heavy-aug-cc-pwcv_5pd_z heavy-aug-cc-pwcv5z-ri
jun-cc-pV5Z jun-cc-pv5z jun-cc-pv5z-jkfit jun-cc-pv5z-ri
jun-cc-pV(5+d)Z jun-cc-pv_5pd_z jun-cc-pv5z-jkfit jun-cc-pv5z-ri
jun-cc-pCV5Z jun-cc-pcv5z
jun-cc-pCV(5+d)Z jun-cc-pcv_5pd_z
jun-cc-pwCV5Z jun-cc-pwcv5z jun-cc-pwcv5z-ri
jun-cc-pwCV(5+d)Z jun-cc-pwcv_5pd_z jun-cc-pwcv5z-ri
may-cc-pV5Z may-cc-pv5z may-cc-pv5z-jkfit may-cc-pv5z-ri
may-cc-pV(5+d)Z may-cc-pv_5pd_z may-cc-pv5z-jkfit may-cc-pv5z-ri
may-cc-pCV5Z may-cc-pcv5z
may-cc-pCV(5+d)Z may-cc-pcv_5pd_z
may-cc-pwCV5Z may-cc-pwcv5z may-cc-pwcv5z-ri
may-cc-pwCV(5+d)Z may-cc-pwcv_5pd_z may-cc-pwcv5z-ri
apr-cc-pV5Z apr-cc-pv5z apr-cc-pv5z-jkfit apr-cc-pv5z-ri
apr-cc-pV(5+d)Z apr-cc-pv_5pd_z apr-cc-pv5z-jkfit apr-cc-pv5z-ri
apr-cc-pCV5Z apr-cc-pcv5z
apr-cc-pCV(5+d)Z apr-cc-pcv_5pd_z
apr-cc-pwCV5Z apr-cc-pwcv5z apr-cc-pwcv5z-ri
apr-cc-pwCV(5+d)Z apr-cc-pwcv_5pd_z apr-cc-pwcv5z-ri
mar-cc-pV5Z mar-cc-pv5z mar-cc-pv5z-jkfit mar-cc-pv5z-ri
mar-cc-pV(5+d)Z mar-cc-pv_5pd_z mar-cc-pv5z-jkfit mar-cc-pv5z-ri
mar-cc-pCV5Z mar-cc-pcv5z
mar-cc-pCV(5+d)Z mar-cc-pcv_5pd_z
mar-cc-pwCV5Z mar-cc-pwcv5z mar-cc-pwcv5z-ri
mar-cc-pwCV(5+d)Z mar-cc-pwcv_5pd_z mar-cc-pwcv5z-ri
d-aug-cc-pV5Z d-aug-cc-pv5z
d-aug-cc-pCV5Z d-aug-cc-pcv5z
d-aug-cc-pwCV5Z d-aug-cc-pwcv5z
cc-pV5Z-DK cc-pv5z-dk
cc-pCV5Z-DK cc-pcv5z-dk
cc-pwCV5Z-DK cc-pwcv5z-dk
aug-cc-pV5Z-DK aug-cc-pv5z-dk
aug-cc-pCV5Z-DK aug-cc-pcv5z-dk
aug-cc-pwCV5Z-DK aug-cc-pwcv5z-dk
heavy-aug-cc-pV5Z-DK heavy-aug-cc-pv5z-dk
heavy-aug-cc-pCV5Z-DK heavy-aug-cc-pcv5z-dk
heavy-aug-cc-pwCV5Z-DK heavy-aug-cc-pwcv5z-dk
cc-pV6Z cc-pv6z cc-pv6z-ri
cc-pV(6+d)Z cc-pv_6pd_z cc-pv6z-ri
cc-pCV6Z cc-pcv6z
cc-pCV(6+d)Z cc-pcv_6pd_z
aug-cc-pV6Z aug-cc-pv6z aug-cc-pv6z-ri
aug-cc-pV(6+d)Z aug-cc-pv_6pd_z aug-cc-pv6z-ri
aug-cc-pCV6Z aug-cc-pcv6z
aug-cc-pCV(6+d)Z aug-cc-pcv_6pd_z
heavy-aug-cc-pV6Z heavy-aug-cc-pv6z heavy-aug-cc-pv6z-ri
heavy-aug-cc-pV(6+d)Z heavy-aug-cc-pv_6pd_z heavy-aug-cc-pv6z-ri
heavy-aug-cc-pCV6Z heavy-aug-cc-pcv6z
heavy-aug-cc-pCV(6+d)Z heavy-aug-cc-pcv_6pd_z
jun-cc-pV6Z jun-cc-pv6z jun-cc-pv6z-ri
jun-cc-pV(6+d)Z jun-cc-pv_6pd_z jun-cc-pv6z-ri
jun-cc-pCV6Z jun-cc-pcv6z
jun-cc-pCV(6+d)Z jun-cc-pcv_6pd_z
may-cc-pV6Z may-cc-pv6z may-cc-pv6z-ri
may-cc-pV(6+d)Z may-cc-pv_6pd_z may-cc-pv6z-ri
may-cc-pCV6Z may-cc-pcv6z
may-cc-pCV(6+d)Z may-cc-pcv_6pd_z
apr-cc-pV6Z apr-cc-pv6z apr-cc-pv6z-ri
apr-cc-pV(6+d)Z apr-cc-pv_6pd_z apr-cc-pv6z-ri
apr-cc-pCV6Z apr-cc-pcv6z
apr-cc-pCV(6+d)Z apr-cc-pcv_6pd_z
mar-cc-pV6Z mar-cc-pv6z mar-cc-pv6z-ri
mar-cc-pV(6+d)Z mar-cc-pv_6pd_z mar-cc-pv6z-ri
mar-cc-pCV6Z mar-cc-pcv6z
mar-cc-pCV(6+d)Z mar-cc-pcv_6pd_z
feb-cc-pV6Z feb-cc-pv6z feb-cc-pv6z-ri
feb-cc-pV(6+d)Z feb-cc-pv_6pd_z feb-cc-pv6z-ri
feb-cc-pCV6Z feb-cc-pcv6z
feb-cc-pCV(6+d)Z feb-cc-pcv_6pd_z
d-aug-cc-pV6Z d-aug-cc-pv6z
d-aug-cc-pCV6Z d-aug-cc-pcv6z
STO-3G sto-3g def2-svp-jkfit def2-svp-rifit
3-21G 3-21g def2-svp-jkfit def2-svp-rifit
6-31G 6-31g cc-pvdz-jkfit cc-pvdz-ri
6-31G(d) 6-31g_d_ cc-pvdz-jkfit cc-pvdz-ri
6-31G(d,p) 6-31g_d_p_ cc-pvdz-jkfit cc-pvdz-ri
6-31G* 6-31g_d_ cc-pvdz-jkfit cc-pvdz-ri
6-31G** 6-31g_d_p_ cc-pvdz-jkfit cc-pvdz-ri
6-31+G 6-31pg heavy-aug-cc-pvdz-jkfit heavy-aug-cc-pvdz-ri
6-31+G(d) 6-31pg_d_ heavy-aug-cc-pvdz-jkfit heavy-aug-cc-pvdz-ri
6-31+G(d,p) 6-31pg_d_p_ heavy-aug-cc-pvdz-jkfit heavy-aug-cc-pvdz-ri
6-31+G* 6-31pg_d_ heavy-aug-cc-pvdz-jkfit heavy-aug-cc-pvdz-ri
6-31+G** 6-31pg_d_p_ heavy-aug-cc-pvdz-jkfit heavy-aug-cc-pvdz-ri
6-31++G 6-31ppg aug-cc-pvdz-jkfit aug-cc-pvdz-ri
6-31++G(d) 6-31ppg_d_ aug-cc-pvdz-jkfit aug-cc-pvdz-ri
6-31++G(d,p) 6-31ppg_d_p_ aug-cc-pvdz-jkfit aug-cc-pvdz-ri
6-31++G* 6-31ppg_d_ aug-cc-pvdz-jkfit aug-cc-pvdz-ri
6-31++G** 6-31ppg_d_p_ aug-cc-pvdz-jkfit aug-cc-pvdz-ri
6-311G 6-311g cc-pvtz-jkfit cc-pvtz-ri
6-311G(d) 6-311g_d_ cc-pvtz-jkfit cc-pvtz-ri
6-311G(d,p) 6-311g_d_p_ cc-pvtz-jkfit cc-pvtz-ri
6-311G* 6-311g_d_ cc-pvtz-jkfit cc-pvtz-ri
6-311G** 6-311g_d_p_ cc-pvtz-jkfit cc-pvtz-ri
6-311G(2d) 6-311g_2d_ cc-pvtz-jkfit cc-pvtz-ri
6-311G(2d,p) 6-311g_2d_p_ cc-pvtz-jkfit cc-pvtz-ri
6-311G(2d,2p) 6-311g_2d_2p_ cc-pvtz-jkfit cc-pvtz-ri
6-311G(2df) 6-311g_2df_ cc-pvtz-jkfit cc-pvtz-ri
6-311G(2df,p) 6-311g_2df_p_ cc-pvtz-jkfit cc-pvtz-ri
6-311G(2df,2p) 6-311g_2df_2p_ cc-pvtz-jkfit cc-pvtz-ri
6-311G(2df,2pd) 6-311g_2df_2pd_ cc-pvtz-jkfit cc-pvtz-ri
6-311G(3df) 6-311g_3df_ cc-pvtz-jkfit cc-pvtz-ri
6-311G(3df,p) 6-311g_3df_p_ cc-pvtz-jkfit cc-pvtz-ri
6-311G(3df,2p) 6-311g_3df_2p_ cc-pvtz-jkfit cc-pvtz-ri
6-311G(3df,2pd) 6-311g_3df_2pd_ cc-pvtz-jkfit cc-pvtz-ri
6-311G(3df,3pd) 6-311g_3df_3pd_ cc-pvtz-jkfit cc-pvtz-ri
6-311+G 6-311pg heavy-aug-cc-pvtz-jkfit heavy-aug-cc-pvtz-ri
6-311+G(d) 6-311pg_d_ heavy-aug-cc-pvtz-jkfit heavy-aug-cc-pvtz-ri
6-311+G(d,p) 6-311pg_d_p_ heavy-aug-cc-pvtz-jkfit heavy-aug-cc-pvtz-ri
6-311+G* 6-311pg_d_ heavy-aug-cc-pvtz-jkfit heavy-aug-cc-pvtz-ri
6-311+G** 6-311pg_d_p_ heavy-aug-cc-pvtz-jkfit heavy-aug-cc-pvtz-ri
6-311+G(2d) 6-311pg_2d_ heavy-aug-cc-pvtz-jkfit heavy-aug-cc-pvtz-ri
6-311+G(2d,p) 6-311pg_2d_p_ heavy-aug-cc-pvtz-jkfit heavy-aug-cc-pvtz-ri
6-311+G(2d,2p) 6-311pg_2d_2p_ heavy-aug-cc-pvtz-jkfit heavy-aug-cc-pvtz-ri
6-311+G(2df) 6-311pg_2df_ heavy-aug-cc-pvtz-jkfit heavy-aug-cc-pvtz-ri
6-311+G(2df,p) 6-311pg_2df_p_ heavy-aug-cc-pvtz-jkfit heavy-aug-cc-pvtz-ri
6-311+G(2df,2p) 6-311pg_2df_2p_ heavy-aug-cc-pvtz-jkfit heavy-aug-cc-pvtz-ri
6-311+G(2df,2pd) 6-311pg_2df_2pd_ heavy-aug-cc-pvtz-jkfit heavy-aug-cc-pvtz-ri
6-311+G(3df) 6-311pg_3df_ heavy-aug-cc-pvtz-jkfit heavy-aug-cc-pvtz-ri
6-311+G(3df,p) 6-311pg_3df_p_ heavy-aug-cc-pvtz-jkfit heavy-aug-cc-pvtz-ri
6-311+G(3df,2p) 6-311pg_3df_2p_ heavy-aug-cc-pvtz-jkfit heavy-aug-cc-pvtz-ri
6-311+G(3df,2pd) 6-311pg_3df_2pd_ heavy-aug-cc-pvtz-jkfit heavy-aug-cc-pvtz-ri
6-311+G(3df,3pd) 6-311pg_3df_3pd_ heavy-aug-cc-pvtz-jkfit heavy-aug-cc-pvtz-ri
6-311++G 6-311ppg aug-cc-pvtz-jkfit aug-cc-pvtz-ri
6-311++G(d) 6-311ppg_d_ aug-cc-pvtz-jkfit aug-cc-pvtz-ri
6-311++G(d,p) 6-311ppg_d_p_ aug-cc-pvtz-jkfit aug-cc-pvtz-ri
6-311++G* 6-311ppg_d_ aug-cc-pvtz-jkfit aug-cc-pvtz-ri
6-311++G** 6-311ppg_d_p_ aug-cc-pvtz-jkfit aug-cc-pvtz-ri
6-311++G(2d) 6-311ppg_2d_ aug-cc-pvtz-jkfit aug-cc-pvtz-ri
6-311++G(2d,p) 6-311ppg_2d_p_ aug-cc-pvtz-jkfit aug-cc-pvtz-ri
6-311++G(2d,2p) 6-311ppg_2d_2p_ aug-cc-pvtz-jkfit aug-cc-pvtz-ri
6-311++G(2df) 6-311ppg_2df_ aug-cc-pvtz-jkfit aug-cc-pvtz-ri
6-311++G(2df,p) 6-311ppg_2df_p_ aug-cc-pvtz-jkfit aug-cc-pvtz-ri
6-311++G(2df,2p) 6-311ppg_2df_2p_ aug-cc-pvtz-jkfit aug-cc-pvtz-ri
6-311++G(2df,2pd) 6-311ppg_2df_2pd_ aug-cc-pvtz-jkfit aug-cc-pvtz-ri
6-311++G(3df) 6-311ppg_3df_ aug-cc-pvtz-jkfit aug-cc-pvtz-ri
6-311++G(3df,p) 6-311ppg_3df_p_ aug-cc-pvtz-jkfit aug-cc-pvtz-ri
6-311++G(3df,2p) 6-311ppg_3df_2p_ aug-cc-pvtz-jkfit aug-cc-pvtz-ri
6-311++G(3df,2pd) 6-311ppg_3df_2pd_ aug-cc-pvtz-jkfit aug-cc-pvtz-ri
6-311++G(3df,3pd) 6-311ppg_3df_3pd_ aug-cc-pvtz-jkfit aug-cc-pvtz-ri
def2-SV(P) def2-sv_p_ def2-sv_p_-jkfit def2-sv_p_-ri
def2-SVP def2-svp def2-svp-jkfit def2-svp-ri
def2-SVPD def2-svpd def2-svp-jkfit def2-svpd-ri
def2-TZVP def2-tzvp def2-tzvp-jkfit def2-tzvp-ri
def2-TZVPD def2-tzvpd def2-tzvp-jkfit def2-tzvpd-ri
def2-TZVPP def2-tzvpp def2-tzvpp-jkfit def2-tzvpp-ri
def2-TZVPPD def2-tzvppd def2-tzvpp-jkfit def2-tzvppd-ri
def2-QZVP def2-qzvp def2-qzvp-jkfit def2-qzvp-ri
def2-QZVPD def2-qzvpd def2-qzvp-jkfit
def2-QZVPP def2-qzvpp def2-qzvpp-jkfit def2-qzvpp-ri
def2-QZVPPD def2-qzvppd def2-qzvpp-jkfit def2-qzvppd-ri
aug-pcseg-0 aug-pcseg-0 def2-sv_p_-jkfit def2-sv_p_-ri
aug-pcseg-1 aug-pcseg-1 def2-svp-jkfit def2-svpd-ri
aug-pcseg-2 aug-pcseg-2 def2-tzvpp-jkfit def2-tzvppd-ri
aug-pcseg-3 aug-pcseg-3 def2-qzvpp-jkfit def2-qzvppd-ri
aug-pcseg-4 aug-pcseg-4 aug-cc-pv5z-jkfit aug-cc-pv5z-ri
aug-pcSseg-0 aug-pcsseg-0 def2-sv_p_-jkfit def2-sv_p_-ri
aug-pcSseg-1 aug-pcsseg-1 def2-svp-jkfit def2-svpd-ri
aug-pcSseg-2 aug-pcsseg-2 def2-tzvpp-jkfit def2-tzvppd-ri
aug-pcSseg-3 aug-pcsseg-3 def2-qzvpp-jkfit def2-qzvppd-ri
aug-pcSseg-4 aug-pcsseg-4 aug-cc-pv5z-jkfit aug-cc-pwcv5z-ri
pcseg-0 pcseg-0 def2-sv_p_-jkfit def2-sv_p_-ri
pcseg-1 pcseg-1 def2-svp-jkfit def2-svp-ri
pcseg-2 pcseg-2 def2-tzvpp-jkfit def2-tzvpp-ri
pcseg-3 pcseg-3 def2-qzvpp-jkfit def2-qzvpp-ri
pcseg-4 pcseg-4 cc-pv5z-jkfit cc-pv5z-ri
pcSseg-0 pcsseg-0 def2-sv_p_-jkfit def2-sv_p_-ri
pcSseg-1 pcsseg-1 def2-svp-jkfit def2-svp-ri
pcSseg-2 pcsseg-2 def2-tzvpp-jkfit def2-tzvpp-ri
pcSseg-3 pcsseg-3 def2-qzvpp-jkfit def2-qzvpp-ri
pcSseg-4 pcsseg-4 cc-pv5z-jkfit cc-pwcv5z-ri
DZ dz
DZP dzp
DZVP dzvp
psi3-DZP psi3-dzp
psi3-TZ2P psi3-tz2p
psi3-TZ2PF psi3-tz2pf
sadlej-lpol-dl sadlej-lpol-dl
sadlej-lpol-ds sadlej-lpol-ds
sadlej-lpol-fl sadlej-lpol-fl
sadlej-lpol-fs sadlej-lpol-fs
2zapa-nr 2zapa-nr aug-cc-pvtz-jkfit aug-cc-pvtz-ri
3zapa-nr 3zapa-nr aug-cc-pvqz-jkfit aug-cc-pvqz-ri
4zapa-nr 4zapa-nr aug-cc-pv5z-jkfit aug-cc-pv5z-ri
5zapa-nr 5zapa-nr aug-cc-pv5z-jkfit aug-cc-pv6z-ri
6zapa-nr 6zapa-nr aug-cc-pv6z-ri aug-cc-pv6z-ri
7zapa-nr 7zapa-nr aug-cc-pv6z-ri aug-cc-pv6z-ri
cc-pvqz-f12 cc-pvqz-f12 cc-pv5z-jkfit cc-pv5z-ri
cc-pvtz-f12 cc-pvtz-f12 cc-pvqz-jkfit cc-pvqz-ri
cc-pvqz-f12 cc-pvqz-f12 cc-pv5z-jkfit cc-pv5z-ri