Auxiliary Basis Sets



Auxiliary basis set defaults in PSI4

Basis Family

Orbital basis

JK auxiliary basis

MP2 auxiliary basis

GUESS basis

cc-pVDZ

cc-pvdz

cc-pvdz-jkfit

cc-pvdz-ri

pcseg-0

cc-pV(D+d)Z

cc-pv_dpd_z

cc-pvdz-jkfit

cc-pvdz-ri

pcseg-0

cc-pCVDZ

cc-pcvdz

cc-pCV(D+d)Z

cc-pcv_dpd_z

cc-pwCVDZ

cc-pwcvdz

cc-pvdz-jkfit

cc-pwcvdz-ri

pcseg-0

cc-pwCV(D+d)Z

cc-pwcv_dpd_z

cc-pvdz-jkfit

cc-pwcvdz-ri

pcseg-0

aug-cc-pVDZ

aug-cc-pvdz

aug-cc-pvdz-jkfit

aug-cc-pvdz-ri

pcseg-0

aug-cc-pV(D+d)Z

aug-cc-pv_dpd_z

aug-cc-pvdz-jkfit

aug-cc-pvdz-ri

pcseg-0

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-pvdz-jkfit

aug-cc-pwcvdz-ri

pcseg-0

aug-cc-pwCV(D+d)Z

aug-cc-pwcv_dpd_z

aug-cc-pvdz-jkfit

aug-cc-pwcvdz-ri

pcseg-0

heavy-aug-cc-pVDZ

heavy-aug-cc-pvdz

heavy-aug-cc-pvdz-jkfit

heavy-aug-cc-pvdz-ri

pcseg-0

heavy-aug-cc-pV(D+d)Z

heavy-aug-cc-pv_dpd_z

heavy-aug-cc-pvdz-jkfit

heavy-aug-cc-pvdz-ri

pcseg-0

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-pvdz-jkfit

heavy-aug-cc-pwcvdz-ri

pcseg-0

heavy-aug-cc-pwCV(D+d)Z

heavy-aug-cc-pwcv_dpd_z

heavy-aug-cc-pvdz-jkfit

heavy-aug-cc-pwcvdz-ri

pcseg-0

jun-cc-pVDZ

jun-cc-pvdz

jun-cc-pvdz-jkfit

jun-cc-pvdz-ri

pcseg-0

jun-cc-pV(D+d)Z

jun-cc-pv_dpd_z

jun-cc-pvdz-jkfit

jun-cc-pvdz-ri

pcseg-0

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-pvdz-jkfit

jun-cc-pwcvdz-ri

pcseg-0

jun-cc-pwCV(D+d)Z

jun-cc-pwcv_dpd_z

jun-cc-pvdz-jkfit

jun-cc-pwcvdz-ri

pcseg-0

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

pcseg-0

cc-pV(T+d)Z

cc-pv_tpd_z

cc-pvtz-jkfit

cc-pvtz-ri

pcseg-0

cc-pCVTZ

cc-pcvtz

cc-pCV(T+d)Z

cc-pcv_tpd_z

cc-pwCVTZ

cc-pwcvtz

cc-pvtz-jkfit

cc-pwcvtz-ri

pcseg-0

cc-pwCV(T+d)Z

cc-pwcv_tpd_z

cc-pvtz-jkfit

cc-pwcvtz-ri

pcseg-0

aug-cc-pVTZ

aug-cc-pvtz

aug-cc-pvtz-jkfit

aug-cc-pvtz-ri

pcseg-0

aug-cc-pV(T+d)Z

aug-cc-pv_tpd_z

aug-cc-pvtz-jkfit

aug-cc-pvtz-ri

pcseg-0

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-pvtz-jkfit

aug-cc-pwcvtz-ri

pcseg-0

aug-cc-pwCV(T+d)Z

aug-cc-pwcv_tpd_z

aug-cc-pvtz-jkfit

aug-cc-pwcvtz-ri

pcseg-0

heavy-aug-cc-pVTZ

heavy-aug-cc-pvtz

heavy-aug-cc-pvtz-jkfit

heavy-aug-cc-pvtz-ri

pcseg-0

heavy-aug-cc-pV(T+d)Z

heavy-aug-cc-pv_tpd_z

heavy-aug-cc-pvtz-jkfit

heavy-aug-cc-pvtz-ri

pcseg-0

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-pvtz-jkfit

heavy-aug-cc-pwcvtz-ri

pcseg-0

heavy-aug-cc-pwCV(T+d)Z

heavy-aug-cc-pwcv_tpd_z

heavy-aug-cc-pvtz-jkfit

heavy-aug-cc-pwcvtz-ri

pcseg-0

jun-cc-pVTZ

jun-cc-pvtz

jun-cc-pvtz-jkfit

jun-cc-pvtz-ri

pcseg-0

jun-cc-pV(T+d)Z

jun-cc-pv_tpd_z

jun-cc-pvtz-jkfit

jun-cc-pvtz-ri

pcseg-0

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-pvtz-jkfit

jun-cc-pwcvtz-ri

pcseg-0

jun-cc-pwCV(T+d)Z

jun-cc-pwcv_tpd_z

jun-cc-pvtz-jkfit

jun-cc-pwcvtz-ri

pcseg-0

may-cc-pVTZ

may-cc-pvtz

may-cc-pvtz-jkfit

may-cc-pvtz-ri

pcseg-0

may-cc-pV(T+d)Z

may-cc-pv_tpd_z

may-cc-pvtz-jkfit

may-cc-pvtz-ri

pcseg-0

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-pvtz-jkfit

may-cc-pwcvtz-ri

pcseg-0

may-cc-pwCV(T+d)Z

may-cc-pwcv_tpd_z

may-cc-pvtz-jkfit

may-cc-pwcvtz-ri

pcseg-0

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

pcseg-0

cc-pV(Q+d)Z

cc-pv_qpd_z

cc-pvqz-jkfit

cc-pvqz-ri

pcseg-0

cc-pCVQZ

cc-pcvqz

cc-pCV(Q+d)Z

cc-pcv_qpd_z

cc-pwCVQZ

cc-pwcvqz

cc-pvqz-jkfit

cc-pwcvqz-ri

pcseg-0

cc-pwCV(Q+d)Z

cc-pwcv_qpd_z

cc-pvqz-jkfit

cc-pwcvqz-ri

pcseg-0

aug-cc-pVQZ

aug-cc-pvqz

aug-cc-pvqz-jkfit

aug-cc-pvqz-ri

pcseg-0

aug-cc-pV(Q+d)Z

aug-cc-pv_qpd_z

aug-cc-pvqz-jkfit

aug-cc-pvqz-ri

pcseg-0

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-pvqz-jkfit

aug-cc-pwcvqz-ri

pcseg-0

aug-cc-pwCV(Q+d)Z

aug-cc-pwcv_qpd_z

aug-cc-pvqz-jkfit

aug-cc-pwcvqz-ri

pcseg-0

heavy-aug-cc-pVQZ

heavy-aug-cc-pvqz

heavy-aug-cc-pvqz-jkfit

heavy-aug-cc-pvqz-ri

pcseg-0

heavy-aug-cc-pV(Q+d)Z

heavy-aug-cc-pv_qpd_z

heavy-aug-cc-pvqz-jkfit

heavy-aug-cc-pvqz-ri

pcseg-0

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-pvqz-jkfit

heavy-aug-cc-pwcvqz-ri

pcseg-0

heavy-aug-cc-pwCV(Q+d)Z

heavy-aug-cc-pwcv_qpd_z

heavy-aug-cc-pvqz-jkfit

heavy-aug-cc-pwcvqz-ri

pcseg-0

jun-cc-pVQZ

jun-cc-pvqz

jun-cc-pvqz-jkfit

jun-cc-pvqz-ri

pcseg-0

jun-cc-pV(Q+d)Z

jun-cc-pv_qpd_z

jun-cc-pvqz-jkfit

jun-cc-pvqz-ri

pcseg-0

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-pvqz-jkfit

jun-cc-pwcvqz-ri

pcseg-0

jun-cc-pwCV(Q+d)Z

jun-cc-pwcv_qpd_z

jun-cc-pvqz-jkfit

jun-cc-pwcvqz-ri

pcseg-0

may-cc-pVQZ

may-cc-pvqz

may-cc-pvqz-jkfit

may-cc-pvqz-ri

pcseg-0

may-cc-pV(Q+d)Z

may-cc-pv_qpd_z

may-cc-pvqz-jkfit

may-cc-pvqz-ri

pcseg-0

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-pvqz-jkfit

may-cc-pwcvqz-ri

pcseg-0

may-cc-pwCV(Q+d)Z

may-cc-pwcv_qpd_z

may-cc-pvqz-jkfit

may-cc-pwcvqz-ri

pcseg-0

apr-cc-pVQZ

apr-cc-pvqz

apr-cc-pvqz-jkfit

apr-cc-pvqz-ri

pcseg-0

apr-cc-pV(Q+d)Z

apr-cc-pv_qpd_z

apr-cc-pvqz-jkfit

apr-cc-pvqz-ri

pcseg-0

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-pvqz-jkfit

apr-cc-pwcvqz-ri

pcseg-0

apr-cc-pwCV(Q+d)Z

apr-cc-pwcv_qpd_z

apr-cc-pvqz-jkfit

apr-cc-pwcvqz-ri

pcseg-0

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

pcseg-0

cc-pV(5+d)Z

cc-pv_5pd_z

cc-pv5z-jkfit

cc-pv5z-ri

pcseg-0

cc-pCV5Z

cc-pcv5z

cc-pCV(5+d)Z

cc-pcv_5pd_z

cc-pwCV5Z

cc-pwcv5z

cc-pv5z-jkfit

cc-pwcv5z-ri

pcseg-0

cc-pwCV(5+d)Z

cc-pwcv_5pd_z

cc-pv5z-jkfit

cc-pwcv5z-ri

pcseg-0

aug-cc-pV5Z

aug-cc-pv5z

aug-cc-pv5z-jkfit

aug-cc-pv5z-ri

pcseg-0

aug-cc-pV(5+d)Z

aug-cc-pv_5pd_z

aug-cc-pv5z-jkfit

aug-cc-pv5z-ri

pcseg-0

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-pv5z-jkfit

aug-cc-pwcv5z-ri

pcseg-0

aug-cc-pwCV(5+d)Z

aug-cc-pwcv_5pd_z

aug-cc-pv5z-jkfit

aug-cc-pwcv5z-ri

pcseg-0

heavy-aug-cc-pV5Z

heavy-aug-cc-pv5z

heavy-aug-cc-pv5z-jkfit

heavy-aug-cc-pv5z-ri

pcseg-0

heavy-aug-cc-pV(5+d)Z

heavy-aug-cc-pv_5pd_z

heavy-aug-cc-pv5z-jkfit

heavy-aug-cc-pv5z-ri

pcseg-0

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-pv5z-jkfit

heavy-aug-cc-pwcv5z-ri

pcseg-0

heavy-aug-cc-pwCV(5+d)Z

heavy-aug-cc-pwcv_5pd_z

heavy-aug-cc-pv5z-jkfit

heavy-aug-cc-pwcv5z-ri

pcseg-0

jun-cc-pV5Z

jun-cc-pv5z

jun-cc-pv5z-jkfit

jun-cc-pv5z-ri

pcseg-0

jun-cc-pV(5+d)Z

jun-cc-pv_5pd_z

jun-cc-pv5z-jkfit

jun-cc-pv5z-ri

pcseg-0

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-pv5z-jkfit

jun-cc-pwcv5z-ri

pcseg-0

jun-cc-pwCV(5+d)Z

jun-cc-pwcv_5pd_z

jun-cc-pv5z-jkfit

jun-cc-pwcv5z-ri

pcseg-0

may-cc-pV5Z

may-cc-pv5z

may-cc-pv5z-jkfit

may-cc-pv5z-ri

pcseg-0

may-cc-pV(5+d)Z

may-cc-pv_5pd_z

may-cc-pv5z-jkfit

may-cc-pv5z-ri

pcseg-0

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-pv5z-jkfit

may-cc-pwcv5z-ri

pcseg-0

may-cc-pwCV(5+d)Z

may-cc-pwcv_5pd_z

may-cc-pv5z-jkfit

may-cc-pwcv5z-ri

pcseg-0

apr-cc-pV5Z

apr-cc-pv5z

apr-cc-pv5z-jkfit

apr-cc-pv5z-ri

pcseg-0

apr-cc-pV(5+d)Z

apr-cc-pv_5pd_z

apr-cc-pv5z-jkfit

apr-cc-pv5z-ri

pcseg-0

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-pv5z-jkfit

apr-cc-pwcv5z-ri

pcseg-0

apr-cc-pwCV(5+d)Z

apr-cc-pwcv_5pd_z

apr-cc-pv5z-jkfit

apr-cc-pwcv5z-ri

pcseg-0

mar-cc-pV5Z

mar-cc-pv5z

mar-cc-pv5z-jkfit

mar-cc-pv5z-ri

pcseg-0

mar-cc-pV(5+d)Z

mar-cc-pv_5pd_z

mar-cc-pv5z-jkfit

mar-cc-pv5z-ri

pcseg-0

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-pv5z-jkfit

mar-cc-pwcv5z-ri

pcseg-0

mar-cc-pwCV(5+d)Z

mar-cc-pwcv_5pd_z

mar-cc-pv5z-jkfit

mar-cc-pwcv5z-ri

pcseg-0

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

pcseg-0

cc-pV(6+d)Z

cc-pv_6pd_z

cc-pv6z-ri

pcseg-0

cc-pCV6Z

cc-pcv6z

cc-pCV(6+d)Z

cc-pcv_6pd_z

aug-cc-pV6Z

aug-cc-pv6z

aug-cc-pv6z-ri

pcseg-0

aug-cc-pV(6+d)Z

aug-cc-pv_6pd_z

aug-cc-pv6z-ri

pcseg-0

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

pcseg-0

heavy-aug-cc-pV(6+d)Z

heavy-aug-cc-pv_6pd_z

heavy-aug-cc-pv6z-ri

pcseg-0

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

pcseg-0

jun-cc-pV(6+d)Z

jun-cc-pv_6pd_z

jun-cc-pv6z-ri

pcseg-0

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

pcseg-0

may-cc-pV(6+d)Z

may-cc-pv_6pd_z

may-cc-pv6z-ri

pcseg-0

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

pcseg-0

apr-cc-pV(6+d)Z

apr-cc-pv_6pd_z

apr-cc-pv6z-ri

pcseg-0

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

pcseg-0

mar-cc-pV(6+d)Z

mar-cc-pv_6pd_z

mar-cc-pv6z-ri

pcseg-0

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

pcseg-0

feb-cc-pV(6+d)Z

feb-cc-pv_6pd_z

feb-cc-pv6z-ri

pcseg-0

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-universal-jkfit

def2-svp-rifit

STO-6G

sto-6g

def2-universal-jkfit

def2-svp-rifit

3-21G

3-21g

def2-universal-jkfit

def2-svp-rifit

6-31G

6-31g

cc-pvdz-jkfit

cc-pvdz-ri

3-21g

6-31G(d)

6-31g_d_

cc-pvdz-jkfit

cc-pvdz-ri

3-21g

6-31G(d,p)

6-31g_d_p_

cc-pvdz-jkfit

cc-pvdz-ri

3-21g

6-31G*

6-31g_d_

cc-pvdz-jkfit

cc-pvdz-ri

3-21g

6-31G**

6-31g_d_p_

cc-pvdz-jkfit

cc-pvdz-ri

3-21g

6-31+G

6-31pg

heavy-aug-cc-pvdz-jkfit

heavy-aug-cc-pvdz-ri

3-21g

6-31+G(d)

6-31pg_d_

heavy-aug-cc-pvdz-jkfit

heavy-aug-cc-pvdz-ri

3-21g

6-31+G(d,p)

6-31pg_d_p_

heavy-aug-cc-pvdz-jkfit

heavy-aug-cc-pvdz-ri

3-21g

6-31+G*

6-31pg_d_

heavy-aug-cc-pvdz-jkfit

heavy-aug-cc-pvdz-ri

3-21g

6-31+G**

6-31pg_d_p_

heavy-aug-cc-pvdz-jkfit

heavy-aug-cc-pvdz-ri

3-21g

6-31++G

6-31ppg

aug-cc-pvdz-jkfit

aug-cc-pvdz-ri

3-21g

6-31++G(d)

6-31ppg_d_

aug-cc-pvdz-jkfit

aug-cc-pvdz-ri

3-21g

6-31++G(d,p)

6-31ppg_d_p_

aug-cc-pvdz-jkfit

aug-cc-pvdz-ri

3-21g

6-31++G*

6-31ppg_d_

aug-cc-pvdz-jkfit

aug-cc-pvdz-ri

3-21g

6-31++G**

6-31ppg_d_p_

aug-cc-pvdz-jkfit

aug-cc-pvdz-ri

3-21g

6-311G

6-311g

cc-pvtz-jkfit

cc-pvtz-ri

3-21g

6-311G(d)

6-311g_d_

cc-pvtz-jkfit

cc-pvtz-ri

3-21g

6-311G(d,p)

6-311g_d_p_

cc-pvtz-jkfit

cc-pvtz-ri

3-21g

6-311G*

6-311g_d_

cc-pvtz-jkfit

cc-pvtz-ri

3-21g

6-311G**

6-311g_d_p_

cc-pvtz-jkfit

cc-pvtz-ri

3-21g

6-311G(2d)

6-311g_2d_

cc-pvtz-jkfit

cc-pvtz-ri

3-21g

6-311G(2d,p)

6-311g_2d_p_

cc-pvtz-jkfit

cc-pvtz-ri

3-21g

6-311G(2d,2p)

6-311g_2d_2p_

cc-pvtz-jkfit

cc-pvtz-ri

3-21g

6-311G(2df)

6-311g_2df_

cc-pvtz-jkfit

cc-pvtz-ri

3-21g

6-311G(2df,p)

6-311g_2df_p_

cc-pvtz-jkfit

cc-pvtz-ri

3-21g

6-311G(2df,2p)

6-311g_2df_2p_

cc-pvtz-jkfit

cc-pvtz-ri

3-21g

6-311G(2df,2pd)

6-311g_2df_2pd_

cc-pvtz-jkfit

cc-pvtz-ri

3-21g

6-311G(3df)

6-311g_3df_

cc-pvtz-jkfit

cc-pvtz-ri

3-21g

6-311G(3df,p)

6-311g_3df_p_

cc-pvtz-jkfit

cc-pvtz-ri

3-21g

6-311G(3df,2p)

6-311g_3df_2p_

cc-pvtz-jkfit

cc-pvtz-ri

3-21g

6-311G(3df,2pd)

6-311g_3df_2pd_

cc-pvtz-jkfit

cc-pvtz-ri

3-21g

6-311G(3df,3pd)

6-311g_3df_3pd_

cc-pvtz-jkfit

cc-pvtz-ri

3-21g

6-311+G

6-311pg

heavy-aug-cc-pvtz-jkfit

heavy-aug-cc-pvtz-ri

3-21g

6-311+G(d)

6-311pg_d_

heavy-aug-cc-pvtz-jkfit

heavy-aug-cc-pvtz-ri

3-21g

6-311+G(d,p)

6-311pg_d_p_

heavy-aug-cc-pvtz-jkfit

heavy-aug-cc-pvtz-ri

3-21g

6-311+G*

6-311pg_d_

heavy-aug-cc-pvtz-jkfit

heavy-aug-cc-pvtz-ri

3-21g

6-311+G**

6-311pg_d_p_

heavy-aug-cc-pvtz-jkfit

heavy-aug-cc-pvtz-ri

3-21g

6-311+G(2d)

6-311pg_2d_

heavy-aug-cc-pvtz-jkfit

heavy-aug-cc-pvtz-ri

3-21g

6-311+G(2d,p)

6-311pg_2d_p_

heavy-aug-cc-pvtz-jkfit

heavy-aug-cc-pvtz-ri

3-21g

6-311+G(2d,2p)

6-311pg_2d_2p_

heavy-aug-cc-pvtz-jkfit

heavy-aug-cc-pvtz-ri

3-21g

6-311+G(2df)

6-311pg_2df_

heavy-aug-cc-pvtz-jkfit

heavy-aug-cc-pvtz-ri

3-21g

6-311+G(2df,p)

6-311pg_2df_p_

heavy-aug-cc-pvtz-jkfit

heavy-aug-cc-pvtz-ri

3-21g

6-311+G(2df,2p)

6-311pg_2df_2p_

heavy-aug-cc-pvtz-jkfit

heavy-aug-cc-pvtz-ri

3-21g

6-311+G(2df,2pd)

6-311pg_2df_2pd_

heavy-aug-cc-pvtz-jkfit

heavy-aug-cc-pvtz-ri

3-21g

6-311+G(3df)

6-311pg_3df_

heavy-aug-cc-pvtz-jkfit

heavy-aug-cc-pvtz-ri

3-21g

6-311+G(3df,p)

6-311pg_3df_p_

heavy-aug-cc-pvtz-jkfit

heavy-aug-cc-pvtz-ri

3-21g

6-311+G(3df,2p)

6-311pg_3df_2p_

heavy-aug-cc-pvtz-jkfit

heavy-aug-cc-pvtz-ri

3-21g

6-311+G(3df,2pd)

6-311pg_3df_2pd_

heavy-aug-cc-pvtz-jkfit

heavy-aug-cc-pvtz-ri

3-21g

6-311+G(3df,3pd)

6-311pg_3df_3pd_

heavy-aug-cc-pvtz-jkfit

heavy-aug-cc-pvtz-ri

3-21g

6-311++G

6-311ppg

aug-cc-pvtz-jkfit

aug-cc-pvtz-ri

3-21g

6-311++G(d)

6-311ppg_d_

aug-cc-pvtz-jkfit

aug-cc-pvtz-ri

3-21g

6-311++G(d,p)

6-311ppg_d_p_

aug-cc-pvtz-jkfit

aug-cc-pvtz-ri

3-21g

6-311++G*

6-311ppg_d_

aug-cc-pvtz-jkfit

aug-cc-pvtz-ri

3-21g

6-311++G**

6-311ppg_d_p_

aug-cc-pvtz-jkfit

aug-cc-pvtz-ri

3-21g

6-311++G(2d)

6-311ppg_2d_

aug-cc-pvtz-jkfit

aug-cc-pvtz-ri

3-21g

6-311++G(2d,p)

6-311ppg_2d_p_

aug-cc-pvtz-jkfit

aug-cc-pvtz-ri

3-21g

6-311++G(2d,2p)

6-311ppg_2d_2p_

aug-cc-pvtz-jkfit

aug-cc-pvtz-ri

3-21g

6-311++G(2df)

6-311ppg_2df_

aug-cc-pvtz-jkfit

aug-cc-pvtz-ri

3-21g

6-311++G(2df,p)

6-311ppg_2df_p_

aug-cc-pvtz-jkfit

aug-cc-pvtz-ri

3-21g

6-311++G(2df,2p)

6-311ppg_2df_2p_

aug-cc-pvtz-jkfit

aug-cc-pvtz-ri

3-21g

6-311++G(2df,2pd)

6-311ppg_2df_2pd_

aug-cc-pvtz-jkfit

aug-cc-pvtz-ri

3-21g

6-311++G(3df)

6-311ppg_3df_

aug-cc-pvtz-jkfit

aug-cc-pvtz-ri

3-21g

6-311++G(3df,p)

6-311ppg_3df_p_

aug-cc-pvtz-jkfit

aug-cc-pvtz-ri

3-21g

6-311++G(3df,2p)

6-311ppg_3df_2p_

aug-cc-pvtz-jkfit

aug-cc-pvtz-ri

3-21g

6-311++G(3df,2pd)

6-311ppg_3df_2pd_

aug-cc-pvtz-jkfit

aug-cc-pvtz-ri

3-21g

6-311++G(3df,3pd)

6-311ppg_3df_3pd_

aug-cc-pvtz-jkfit

aug-cc-pvtz-ri

3-21g

def2-SV(P)

def2-sv_p_

def2-universal-jkfit

def2-sv_p_-ri

def2-mSVP

def2-msvp

def2-universal-jkfit

def2-svp-ri

def2-SVP

def2-svp

def2-universal-jkfit

def2-svp-ri

def2-sv_p_

def2-SVPD

def2-svpd

def2-universal-jkfit

def2-svpd-ri

def2-sv_p_

def2-TZVP

def2-tzvp

def2-universal-jkfit

def2-tzvp-ri

def2-sv_p_

def2-TZVPD

def2-tzvpd

def2-universal-jkfit

def2-tzvpd-ri

def2-sv_p_

def2-TZVPP

def2-tzvpp

def2-universal-jkfit

def2-tzvpp-ri

def2-sv_p_

def2-TZVPPD

def2-tzvppd

def2-universal-jkfit

def2-tzvppd-ri

def2-sv_p_

def2-QZVP

def2-qzvp

def2-universal-jkfit

def2-qzvp-ri

def2-sv_p_

def2-QZVPD

def2-qzvpd

def2-universal-jkfit

def2-sv_p_

def2-QZVPP

def2-qzvpp

def2-universal-jkfit

def2-qzvpp-ri

def2-sv_p_

def2-QZVPPD

def2-qzvppd

def2-universal-jkfit

def2-qzvppd-ri

def2-sv_p_

aug-pcseg-0

aug-pcseg-0

def2-universal-jkfit

def2-sv_p_-ri

pcseg-0

aug-pcseg-1

aug-pcseg-1

def2-universal-jkfit

def2-svpd-ri

pcseg-0

aug-pcseg-2

aug-pcseg-2

def2-universal-jkfit

def2-tzvppd-ri

pcseg-0

aug-pcseg-3

aug-pcseg-3

def2-universal-jkfit

def2-qzvppd-ri

pcseg-0

aug-pcseg-4

aug-pcseg-4

aug-cc-pv5z-jkfit

aug-cc-pv5z-ri

pcseg-0

aug-pcSseg-0

aug-pcsseg-0

def2-universal-jkfit

def2-sv_p_-ri

pcseg-0

aug-pcSseg-1

aug-pcsseg-1

def2-universal-jkfit

def2-svpd-ri

pcseg-0

aug-pcSseg-2

aug-pcsseg-2

def2-universal-jkfit

def2-tzvppd-ri

pcseg-0

aug-pcSseg-3

aug-pcsseg-3

def2-universal-jkfit

def2-qzvppd-ri

pcseg-0

aug-pcSseg-4

aug-pcsseg-4

aug-cc-pv5z-jkfit

aug-cc-pwcv5z-ri

pcseg-0

pcseg-0

pcseg-0

def2-universal-jkfit

def2-sv_p_-ri

pcseg-1

pcseg-1

def2-universal-jkfit

def2-svp-ri

pcseg-0

pcseg-2

pcseg-2

def2-universal-jkfit

def2-tzvpp-ri

pcseg-0

pcseg-3

pcseg-3

def2-universal-jkfit

def2-qzvpp-ri

pcseg-0

pcseg-4

pcseg-4

cc-pv5z-jkfit

cc-pv5z-ri

pcseg-0

pcSseg-0

pcsseg-0

def2-universal-jkfit

def2-sv_p_-ri

pcseg-0

pcSseg-1

pcsseg-1

def2-universal-jkfit

def2-svp-ri

pcseg-0

pcSseg-2

pcsseg-2

def2-universal-jkfit

def2-tzvpp-ri

pcseg-0

pcSseg-3

pcsseg-3

def2-universal-jkfit

def2-qzvpp-ri

pcseg-0

pcSseg-4

pcsseg-4

cc-pv5z-jkfit

cc-pwcv5z-ri

pcseg-0

minix

minix

def2-universal-jkfit

def2-svp-ri

DZ

dz

DZP

dzp

DZVP

dzvp

dgauss-dzvp-mix

dgauss-dzvp-autoaux

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

pcseg-0

3zapa-nr

3zapa-nr

aug-cc-pvqz-jkfit

aug-cc-pvqz-ri

pcseg-0

4zapa-nr

4zapa-nr

aug-cc-pv5z-jkfit

aug-cc-pv5z-ri

pcseg-0

5zapa-nr

5zapa-nr

aug-cc-pv5z-jkfit

aug-cc-pv6z-ri

pcseg-0

6zapa-nr

6zapa-nr

aug-cc-pv6z-ri

aug-cc-pv6z-ri

pcseg-0

7zapa-nr

7zapa-nr

aug-cc-pv6z-ri

aug-cc-pv6z-ri

pcseg-0

cc-pvqz-f12

cc-pvqz-f12

cc-pv5z-jkfit

cc-pv5z-ri

pcseg-0

cc-pvtz-f12

cc-pvtz-f12

cc-pvqz-jkfit

cc-pvqz-ri

pcseg-0

cc-pvqz-f12

cc-pvqz-f12

cc-pv5z-jkfit

cc-pv5z-ri

pcseg-0