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generally_contracted
primitives
2zapa-nr.gbs
3-21g.gbs
3zapa-nr.gbs
4zapa-nr.gbs
5zapa-nr.gbs
6-311g.gbs
6-311g_2d_.gbs
6-311g_2d_2p_.gbs
6-311g_2d_p_.gbs
6-311g_2df_.gbs
6-311g_2df_2p_.gbs
6-311g_2df_2pd_.gbs
6-311g_2df_p_.gbs
6-311g_3df_.gbs
6-311g_3df_2p_.gbs
6-311g_3df_2pd_.gbs
6-311g_3df_3pd_.gbs
6-311g_3df_p_.gbs
6-311g_d_.gbs
6-311g_d_p_.gbs
6-311gs.gbs
6-311gss.gbs
6-311pg.gbs
6-311pg_2d_.gbs
6-311pg_2d_2p_.gbs
6-311pg_2d_p_.gbs
6-311pg_2df_.gbs
6-311pg_2df_2p_.gbs
6-311pg_2df_2pd_.gbs
6-311pg_2df_p_.gbs
6-311pg_3df_.gbs
6-311pg_3df_2p_.gbs
6-311pg_3df_2pd_.gbs
6-311pg_3df_3pd_.gbs
6-311pg_3df_p_.gbs
6-311pg_d_.gbs
6-311pg_d_p_.gbs
6-311pgs.gbs
6-311pgss.gbs
6-311ppg.gbs
6-311ppg_2d_.gbs
6-311ppg_2d_2p_.gbs
6-311ppg_2d_p_.gbs
6-311ppg_2df_.gbs
6-311ppg_2df_2p_.gbs
6-311ppg_2df_2pd_.gbs
6-311ppg_2df_p_.gbs
6-311ppg_3df_.gbs
6-311ppg_3df_2p_.gbs
6-311ppg_3df_2pd_.gbs
6-311ppg_3df_3pd_.gbs
6-311ppg_3df_p_.gbs
6-311ppg_d_.gbs
6-311ppg_d_p_.gbs
6-311ppgs.gbs
6-311ppgss.gbs
6-31g.gbs
6-31g_d_.gbs
6-31g_d_p_.gbs
6-31gs.gbs
6-31gss.gbs
6-31pg.gbs
6-31pg_d_.gbs
6-31pg_d_p_.gbs
6-31pgs.gbs
6-31pgss.gbs
6-31ppg.gbs
6-31ppg_d_.gbs
6-31ppg_d_p_.gbs
6-31ppgs.gbs
6-31ppgss.gbs
6zapa-nr.gbs
7zapa-nr.gbs
GENBAS
NOTES
README
ano0.gbs
apr-cc-pcv5z.gbs
apr-cc-pcv6z.gbs
apr-cc-pcv_5pd_z.gbs
apr-cc-pcv_6pd_z.gbs
apr-cc-pcv_qpd_z.gbs
apr-cc-pcvqz.gbs
apr-cc-pv5z-jkfit.gbs
apr-cc-pv5z-ri.gbs
apr-cc-pv5z.gbs
apr-cc-pv6z-ri.gbs
apr-cc-pv6z.gbs
apr-cc-pv_5pd_z-jkfit.gbs
apr-cc-pv_5pd_z-ri.gbs
apr-cc-pv_5pd_z.gbs
apr-cc-pv_6pd_z-ri.gbs
apr-cc-pv_6pd_z.gbs
apr-cc-pv_qpd_z-jkfit.gbs
apr-cc-pv_qpd_z-ri.gbs
apr-cc-pv_qpd_z.gbs
apr-cc-pvqz-jkfit.gbs
apr-cc-pvqz-ri.gbs
apr-cc-pvqz.gbs
apr-cc-pwcv5z-ri.gbs
apr-cc-pwcv5z.gbs
apr-cc-pwcv_5pd_z-ri.gbs
apr-cc-pwcv_5pd_z.gbs
apr-cc-pwcv_qpd_z-ri.gbs
apr-cc-pwcv_qpd_z.gbs
apr-cc-pwcvqz-ri.gbs
apr-cc-pwcvqz.gbs
aug-cc-pcv5z-dk.gbs
aug-cc-pcv5z.gbs
aug-cc-pcv6z.gbs
aug-cc-pcv_5pd_z.gbs
aug-cc-pcv_6pd_z.gbs
aug-cc-pcv_dpd_z.gbs
aug-cc-pcv_qpd_z.gbs
aug-cc-pcv_tpd_z.gbs
aug-cc-pcvdz-dk.gbs
aug-cc-pcvdz.gbs
aug-cc-pcvqz-dk.gbs
aug-cc-pcvqz.gbs
aug-cc-pcvtz-dk.gbs
aug-cc-pcvtz.gbs
aug-cc-pv5z-dk.gbs
aug-cc-pv5z-jkfit.gbs
aug-cc-pv5z-ri.gbs
aug-cc-pv5z.gbs
aug-cc-pv6z-ri.gbs
aug-cc-pv6z.gbs
aug-cc-pv_5pd_z-jkfit.gbs
aug-cc-pv_5pd_z-ri.gbs
aug-cc-pv_5pd_z.gbs
aug-cc-pv_6pd_z-ri.gbs
aug-cc-pv_6pd_z.gbs
aug-cc-pv_dpd_z-jkfit.gbs
aug-cc-pv_dpd_z-ri.gbs
aug-cc-pv_dpd_z.gbs
aug-cc-pv_qpd_z-jkfit.gbs
aug-cc-pv_qpd_z-ri.gbs
aug-cc-pv_qpd_z.gbs
aug-cc-pv_tpd_z-jkfit.gbs
aug-cc-pv_tpd_z-ri.gbs
aug-cc-pv_tpd_z.gbs
aug-cc-pvdz-dk.gbs
aug-cc-pvdz-dual.gbs
aug-cc-pvdz-jkfit.gbs
aug-cc-pvdz-ri.gbs
aug-cc-pvdz.gbs
aug-cc-pvdzp-jkfit.gbs
aug-cc-pvdzp-ri.gbs
aug-cc-pvdzp.gbs
aug-cc-pvqz-dk.gbs
aug-cc-pvqz-dual.gbs
aug-cc-pvqz-jkfit.gbs
aug-cc-pvqz-ri.gbs
aug-cc-pvqz.gbs
aug-cc-pvtz-dk.gbs
aug-cc-pvtz-dual.gbs
aug-cc-pvtz-jkfit.gbs
aug-cc-pvtz-ri.gbs
aug-cc-pvtz.gbs
aug-cc-pwcv5z-dk.gbs
aug-cc-pwcv5z-ri.gbs
aug-cc-pwcv5z.gbs
aug-cc-pwcv_5pd_z-ri.gbs
aug-cc-pwcv_5pd_z.gbs
aug-cc-pwcv_dpd_z-ri.gbs
aug-cc-pwcv_dpd_z.gbs
aug-cc-pwcv_qpd_z-ri.gbs
aug-cc-pwcv_qpd_z.gbs
aug-cc-pwcv_tpd_z-ri.gbs
aug-cc-pwcv_tpd_z.gbs
aug-cc-pwcvdz-ri.gbs
aug-cc-pwcvdz.gbs
aug-cc-pwcvqz-dk.gbs
aug-cc-pwcvqz-ri.gbs
aug-cc-pwcvqz.gbs
aug-cc-pwcvtz-dk.gbs
aug-cc-pwcvtz-ri.gbs
aug-cc-pwcvtz.gbs
aug-pcseg-0.gbs
aug-pcseg-1.gbs
aug-pcseg-2.gbs
aug-pcseg-3.gbs
aug-pcseg-4.gbs
aug-pcsseg-0.gbs
aug-pcsseg-1.gbs
aug-pcsseg-2.gbs
aug-pcsseg-3.gbs
aug-pcsseg-4.gbs
cc-pcv5z-dk.gbs
cc-pcv5z.gbs
cc-pcv6z.gbs
cc-pcv_5pd_z.gbs
cc-pcv_6pd_z.gbs
cc-pcv_dpd_z.gbs
cc-pcv_qpd_z.gbs
cc-pcv_tpd_z.gbs
cc-pcvdz-dk.gbs
cc-pcvdz-f12.gbs
cc-pcvdz.gbs
cc-pcvqz-dk.gbs
cc-pcvqz-f12.gbs
cc-pcvqz.gbs
cc-pcvtz-dk.gbs
cc-pcvtz-f12.gbs
cc-pcvtz.gbs
cc-pv5z-dk.gbs
cc-pv5z-jkfit.gbs
cc-pv5z-ri.gbs
cc-pv5z.gbs
cc-pv6z-ri.gbs
cc-pv6z.gbs
cc-pv_5pd_z-jkfit.gbs
cc-pv_5pd_z-ri.gbs
cc-pv_5pd_z.gbs
cc-pv_6pd_z-ri.gbs
cc-pv_6pd_z.gbs
cc-pv_dpd_z-jkfit.gbs
cc-pv_dpd_z-ri.gbs
cc-pv_dpd_z.gbs
cc-pv_qpd_z-jkfit.gbs
cc-pv_qpd_z-ri.gbs
cc-pv_qpd_z.gbs
cc-pv_tpd_z-jkfit.gbs
cc-pv_tpd_z-ri.gbs
cc-pv_tpd_z.gbs
cc-pvdz-canonical.gbs
cc-pvdz-dk.gbs
cc-pvdz-f12-optri.gbs
cc-pvdz-f12.gbs
cc-pvdz-jkfit.gbs
cc-pvdz-ri.gbs
cc-pvdz.gbs
cc-pvqz-dk.gbs
cc-pvqz-dual.gbs
cc-pvqz-f12.gbs
cc-pvqz-jkfit.gbs
cc-pvqz-ri.gbs
cc-pvqz.gbs
cc-pvtz-dk.gbs
cc-pvtz-dual.gbs
cc-pvtz-f12.gbs
cc-pvtz-jkfit.gbs
cc-pvtz-minao.gbs
cc-pvtz-ri.gbs
cc-pvtz.gbs
cc-pwcv5z-dk.gbs
cc-pwcv5z-ri.gbs
cc-pwcv5z.gbs
cc-pwcv_5pd_z-ri.gbs
cc-pwcv_5pd_z.gbs
cc-pwcv_dpd_z-ri.gbs
cc-pwcv_dpd_z.gbs
cc-pwcv_qpd_z-ri.gbs
cc-pwcv_qpd_z.gbs
cc-pwcv_tpd_z-ri.gbs
cc-pwcv_tpd_z.gbs
cc-pwcvdz-ri.gbs
cc-pwcvdz.gbs
cc-pwcvqz-dk.gbs
cc-pwcvqz-ri.gbs
cc-pwcvqz.gbs
cc-pwcvtz-dk.gbs
cc-pwcvtz-ri.gbs
cc-pwcvtz.gbs
d-aug-cc-pcv5z.gbs
d-aug-cc-pcv6z.gbs
d-aug-cc-pcvdz.gbs
d-aug-cc-pcvqz.gbs
d-aug-cc-pcvtz.gbs
d-aug-cc-pv5z.gbs
d-aug-cc-pv6z.gbs
d-aug-cc-pvdz.gbs
d-aug-cc-pvqz.gbs
d-aug-cc-pvtz.gbs
d-aug-cc-pwcv5z.gbs
d-aug-cc-pwcvdz.gbs
d-aug-cc-pwcvqz.gbs
d-aug-cc-pwcvtz.gbs
def2-msvp.gbs
def2-qzvp-jfit.gbs
def2-qzvp-jkfit.gbs
def2-qzvp-ri.gbs
def2-qzvp.gbs
def2-qzvpd.gbs
def2-qzvpp-jfit.gbs
def2-qzvpp-jkfit.gbs
def2-qzvpp-ri.gbs
def2-qzvpp.gbs
def2-qzvppd-ri.gbs
def2-qzvppd.gbs
def2-sv_p_-jfit.gbs
def2-sv_p_-jkfit.gbs
def2-sv_p_-ri.gbs
def2-sv_p_.gbs
def2-svp-jfit.gbs
def2-svp-jkfit.gbs
def2-svp-ri.gbs
def2-svp.gbs
def2-svpd-ri.gbs
def2-svpd.gbs
def2-tzvp-jfit.gbs
def2-tzvp-jkfit.gbs
def2-tzvp-ri.gbs
def2-tzvp.gbs
def2-tzvpd-ri.gbs
def2-tzvpd.gbs
def2-tzvpp-jfit.gbs
def2-tzvpp-jkfit.gbs
def2-tzvpp-ri.gbs
def2-tzvpp.gbs
def2-tzvppd-ri.gbs
def2-tzvppd.gbs
dz.gbs
dzp.gbs
dzvp.gbs
feb-cc-pcv6z.gbs
feb-cc-pcv_6pd_z.gbs
feb-cc-pv6z-ri.gbs
feb-cc-pv6z.gbs
feb-cc-pv_6pd_z-ri.gbs
feb-cc-pv_6pd_z.gbs
heavy-aug-cc-pcv5z-dk.gbs
heavy-aug-cc-pcv5z.gbs
heavy-aug-cc-pcv6z.gbs
heavy-aug-cc-pcv_5pd_z.gbs
heavy-aug-cc-pcv_6pd_z.gbs
heavy-aug-cc-pcv_dpd_z.gbs
heavy-aug-cc-pcv_qpd_z.gbs
heavy-aug-cc-pcv_tpd_z.gbs
heavy-aug-cc-pcvdz-dk.gbs
heavy-aug-cc-pcvdz.gbs
heavy-aug-cc-pcvqz-dk.gbs
heavy-aug-cc-pcvqz.gbs
heavy-aug-cc-pcvtz-dk.gbs
heavy-aug-cc-pcvtz.gbs
heavy-aug-cc-pv5z-dk.gbs
heavy-aug-cc-pv5z-jkfit.gbs
heavy-aug-cc-pv5z-ri.gbs
heavy-aug-cc-pv5z.gbs
heavy-aug-cc-pv6z-ri.gbs
heavy-aug-cc-pv6z.gbs
heavy-aug-cc-pv_5pd_z-jkfit.gbs
heavy-aug-cc-pv_5pd_z-ri.gbs
heavy-aug-cc-pv_5pd_z.gbs
heavy-aug-cc-pv_6pd_z-ri.gbs
heavy-aug-cc-pv_6pd_z.gbs
heavy-aug-cc-pv_dpd_z-jkfit.gbs
heavy-aug-cc-pv_dpd_z-ri.gbs
heavy-aug-cc-pv_dpd_z.gbs
heavy-aug-cc-pv_qpd_z-jkfit.gbs
heavy-aug-cc-pv_qpd_z-ri.gbs
heavy-aug-cc-pv_qpd_z.gbs
heavy-aug-cc-pv_tpd_z-jkfit.gbs
heavy-aug-cc-pv_tpd_z-ri.gbs
heavy-aug-cc-pv_tpd_z.gbs
heavy-aug-cc-pvdz-dk.gbs
heavy-aug-cc-pvdz-jkfit.gbs
heavy-aug-cc-pvdz-ri.gbs
heavy-aug-cc-pvdz.gbs
heavy-aug-cc-pvqz-dk.gbs
heavy-aug-cc-pvqz-dual.gbs
heavy-aug-cc-pvqz-jkfit.gbs
heavy-aug-cc-pvqz-ri.gbs
heavy-aug-cc-pvqz.gbs
heavy-aug-cc-pvtz-dk.gbs
heavy-aug-cc-pvtz-dual.gbs
heavy-aug-cc-pvtz-jkfit.gbs
heavy-aug-cc-pvtz-ri.gbs
heavy-aug-cc-pvtz.gbs
heavy-aug-cc-pwcv5z-dk.gbs
heavy-aug-cc-pwcv5z-ri.gbs
heavy-aug-cc-pwcv5z.gbs
heavy-aug-cc-pwcv_5pd_z-ri.gbs
heavy-aug-cc-pwcv_5pd_z.gbs
heavy-aug-cc-pwcv_dpd_z-ri.gbs
heavy-aug-cc-pwcv_dpd_z.gbs
heavy-aug-cc-pwcv_qpd_z-ri.gbs
heavy-aug-cc-pwcv_qpd_z.gbs
heavy-aug-cc-pwcv_tpd_z-ri.gbs
heavy-aug-cc-pwcv_tpd_z.gbs
heavy-aug-cc-pwcvdz-ri.gbs
heavy-aug-cc-pwcvdz.gbs
heavy-aug-cc-pwcvqz-dk.gbs
heavy-aug-cc-pwcvqz-ri.gbs
heavy-aug-cc-pwcvqz.gbs
heavy-aug-cc-pwcvtz-dk.gbs
heavy-aug-cc-pwcvtz-ri.gbs
heavy-aug-cc-pwcvtz.gbs
jun-cc-pcv5z.gbs
jun-cc-pcv6z.gbs
jun-cc-pcv_5pd_z.gbs
jun-cc-pcv_6pd_z.gbs
jun-cc-pcv_dpd_z.gbs
jun-cc-pcv_qpd_z.gbs
jun-cc-pcv_tpd_z.gbs
jun-cc-pcvdz.gbs
jun-cc-pcvqz.gbs
jun-cc-pcvtz.gbs
jun-cc-pv5z-jkfit.gbs
jun-cc-pv5z-ri.gbs
jun-cc-pv5z.gbs
jun-cc-pv6z-ri.gbs
jun-cc-pv6z.gbs
jun-cc-pv_5pd_z-jkfit.gbs
jun-cc-pv_5pd_z-ri.gbs
jun-cc-pv_5pd_z.gbs
jun-cc-pv_6pd_z-ri.gbs
jun-cc-pv_6pd_z.gbs
jun-cc-pv_dpd_z-jkfit.gbs
jun-cc-pv_dpd_z-ri.gbs
jun-cc-pv_dpd_z.gbs
jun-cc-pv_qpd_z-jkfit.gbs
jun-cc-pv_qpd_z-ri.gbs
jun-cc-pv_qpd_z.gbs
jun-cc-pv_tpd_z-jkfit.gbs
jun-cc-pv_tpd_z-ri.gbs
jun-cc-pv_tpd_z.gbs
jun-cc-pvdz-jkfit.gbs
jun-cc-pvdz-ri.gbs
jun-cc-pvdz.gbs
jun-cc-pvqz-jkfit.gbs
jun-cc-pvqz-ri.gbs
jun-cc-pvqz.gbs
jun-cc-pvtz-jkfit.gbs
jun-cc-pvtz-ri.gbs
jun-cc-pvtz.gbs
jun-cc-pwcv5z-ri.gbs
jun-cc-pwcv5z.gbs
jun-cc-pwcv_5pd_z-ri.gbs
jun-cc-pwcv_5pd_z.gbs
jun-cc-pwcv_dpd_z-ri.gbs
jun-cc-pwcv_dpd_z.gbs
jun-cc-pwcv_qpd_z-ri.gbs
jun-cc-pwcv_qpd_z.gbs
jun-cc-pwcv_tpd_z-ri.gbs
jun-cc-pwcv_tpd_z.gbs
jun-cc-pwcvdz-ri.gbs
jun-cc-pwcvdz.gbs
jun-cc-pwcvqz-ri.gbs
jun-cc-pwcvqz.gbs
jun-cc-pwcvtz-ri.gbs
jun-cc-pwcvtz.gbs
lanl2dz.gbs
mar-cc-pcv5z.gbs
mar-cc-pcv6z.gbs
mar-cc-pcv_5pd_z.gbs
mar-cc-pcv_6pd_z.gbs
mar-cc-pv5z-jkfit.gbs
mar-cc-pv5z-ri.gbs
mar-cc-pv5z.gbs
mar-cc-pv6z-ri.gbs
mar-cc-pv6z.gbs
mar-cc-pv_5pd_z-jkfit.gbs
mar-cc-pv_5pd_z-ri.gbs
mar-cc-pv_5pd_z.gbs
mar-cc-pv_6pd_z-ri.gbs
mar-cc-pv_6pd_z.gbs
mar-cc-pwcv5z-ri.gbs
mar-cc-pwcv5z.gbs
mar-cc-pwcv_5pd_z-ri.gbs
mar-cc-pwcv_5pd_z.gbs
may-cc-pcv5z.gbs
may-cc-pcv6z.gbs
may-cc-pcv_5pd_z.gbs
may-cc-pcv_6pd_z.gbs
may-cc-pcv_qpd_z.gbs
may-cc-pcv_tpd_z.gbs
may-cc-pcvqz.gbs
may-cc-pcvtz.gbs
may-cc-pv5z-jkfit.gbs
may-cc-pv5z-ri.gbs
may-cc-pv5z.gbs
may-cc-pv6z-ri.gbs
may-cc-pv6z.gbs
may-cc-pv_5pd_z-jkfit.gbs
may-cc-pv_5pd_z-ri.gbs
may-cc-pv_5pd_z.gbs
may-cc-pv_6pd_z-ri.gbs
may-cc-pv_6pd_z.gbs
may-cc-pv_qpd_z-jkfit.gbs
may-cc-pv_qpd_z-ri.gbs
may-cc-pv_qpd_z.gbs
may-cc-pv_tpd_z-jkfit.gbs
may-cc-pv_tpd_z-ri.gbs
may-cc-pv_tpd_z.gbs
may-cc-pvqz-jkfit.gbs
may-cc-pvqz-ri.gbs
may-cc-pvqz.gbs
may-cc-pvtz-jkfit.gbs
may-cc-pvtz-ri.gbs
may-cc-pvtz.gbs
may-cc-pwcv5z-ri.gbs
may-cc-pwcv5z.gbs
may-cc-pwcv_5pd_z-ri.gbs
may-cc-pwcv_5pd_z.gbs
may-cc-pwcv_qpd_z-ri.gbs
may-cc-pwcv_qpd_z.gbs
may-cc-pwcv_tpd_z-ri.gbs
may-cc-pwcv_tpd_z.gbs
may-cc-pwcvqz-ri.gbs
may-cc-pwcvqz.gbs
may-cc-pwcvtz-ri.gbs
may-cc-pwcvtz.gbs
minix.gbs
pcseg-0.gbs
pcseg-1.gbs
pcseg-2.gbs
pcseg-3.gbs
pcseg-4.gbs
pcsseg-0.gbs
pcsseg-1.gbs
pcsseg-2.gbs
pcsseg-3.gbs
pcsseg-4.gbs
psi3-dzp.gbs
psi3-tz2p.gbs
psi3-tz2pf.gbs
roos-ano-dz.gbs
roos-ano-tz.gbs
sad-fit.gbs
sadlej-lpol-dl.gbs
sadlej-lpol-ds.gbs
sadlej-lpol-fl.gbs
sadlej-lpol-fs.gbs
sto-3g.gbs
weigand-jfit.gbs

README

Many of the basis sets in this directory are automatically generated
from files and scripts in the primitives/ directory, particularly the
Dunning correlation-consistent basis sets and some of the Pople basis
sets.  The primitives/ directory contains subsets of the basis sets that
can be combined in various ways (e.g., the diffuse functions and the
core-valence functions are often stored in separate files from the main
basis set, so that they can be combined in various different ways to produce
final basis set files that are then copied up to this directory).

If you are thinking of editing these files to update the Psi4 basis
set library, especially for Dunning or Pople basis sets, outline your
plans in a GitHub issue for advice on how to proceed