eginer 94de9393e0 added Li2.out BeH.out LiH.out Na2.out for mixed core in vqz		2019-04-02 12:28:53 +02:00
..
BeH.inp
BeH.out	added Li2.out BeH.out LiH.out Na2.out for mixed core in vqz	2019-04-02 12:28:53 +02:00
BeH.xyz
C2H2.inp
C2H2.out
C2H2.xyz
C2H4.inp
C2H4.out
C2H4.xyz
C2H6.inp
C2H6.out
C2H6.xyz
ccsdt_fc_vqz.template
CH2_1A1.inp
CH2_1A1.out
CH2_1A1.xyz
CH2_3B1.inp
CH2_3B1.out
CH2_3B1.xyz
CH3.inp
CH3.out
CH3.xyz
CH3Cl.inp
CH3Cl.out
CH3Cl.xyz
CH3SH.inp
CH3SH.out
CH3SH.xyz
CH4.inp
CH4.out
CH4.xyz
CH4O.inp
CH4O.out
CH4O.xyz
CH.inp
CH.out
CH.xyz
Cl2.inp
Cl2.out
Cl2.xyz
ClF.inp
ClF.out
ClF.xyz
ClO.inp
ClO.out
ClO.xyz
CN.inp
CN.out
CN.xyz
CO2.inp
CO2.out
CO2.xyz
CO.inp
CO.out
CO.xyz
copy.sh	added Li2.out BeH.out LiH.out Na2.out for mixed core in vqz	2019-04-02 12:28:53 +02:00
create_ezfio.sh
create_input.sh
CS.inp
CS.out
CS.xyz
F2.inp
F2.out
F2.xyz
H2CO.inp
H2CO.out
H2CO.xyz
H2O2.inp
H2O2.out
H2O2.xyz
H2O.inp
H2O.out
H2O.xyz
H2S.inp
H2S.out
H2S.xyz
H3COH.inp
H3COH.out
H3COH.xyz
H3CSH.inp
H3CSH.out
H3CSH.xyz
HCl.inp
HCl.out
HCl.xyz
HCN.inp
HCN.out
HCN.xyz
HCO.inp
HCO.out
HCO.xyz
HF.inp
HF.out
HF.xyz
HOCl.inp
HOCl.out
HOCl.xyz
Li2.inp
Li2.out	added Li2.out BeH.out LiH.out Na2.out for mixed core in vqz	2019-04-02 12:28:53 +02:00
Li2.xyz
LiF.inp
LiF.out	updated G09 data	2019-04-02 11:16:28 +02:00
LiF.xyz
LiH.inp
LiH.out	added Li2.out BeH.out LiH.out Na2.out for mixed core in vqz	2019-04-02 12:28:53 +02:00
LiH.xyz
Mixed_core.tgz	updated G09 data	2019-04-02 11:16:28 +02:00
N2.inp
N2.out
N2.xyz
N2H4.inp
N2H4.out
N2H4.xyz
Na2.inp
Na2.out	added Li2.out BeH.out LiH.out Na2.out for mixed core in vqz	2019-04-02 12:28:53 +02:00
Na2.xyz
NaCl.inp
NaCl.out	updated G09 data	2019-04-02 11:16:28 +02:00
NaCl.xyz
NH2.inp
NH2.out
NH2.xyz
NH3.inp
NH3.out
NH3.xyz
NH.inp
NH.out
NH.xyz
NO.inp
NO.out
NO.xyz
O2.inp
O2.out
O2.xyz
OH.inp
OH.out
OH.xyz
P2.inp
P2.out
P2.xyz
PH2.inp
PH2.out
PH2.xyz
PH3.inp
PH3.out
PH3.xyz
run_g09.sh
S2.inp
S2.out
S2.xyz
Si2.inp
Si2.out
Si2.xyz
Si2H6.inp
Si2H6.out
Si2H6.xyz
SiH2_1A1.inp
SiH2_1A1.out
SiH2_1A1.xyz
SiH2_3B1.inp
SiH2_3B1.out
SiH2_3B1.xyz
SiH3.inp
SiH3.out
SiH3.xyz
SiH4.inp
SiH4.out
SiH4.xyz
SiO.inp
SiO.out
SiO.xyz
slurm-42176.out
SO2.inp
SO2.out
SO2.xyz
SO.inp
SO.out
SO.xyz