srDFT_G2/G09/Mixed_core/Molecules/vqz
2019-04-02 11:16:28 +02:00
..
BeH.inp Mixed core 2019-04-01 12:09:35 +02:00
BeH.out Mixed core 2019-04-01 12:09:35 +02:00
BeH.xyz Mixed core 2019-04-01 12:09:35 +02:00
C2H2.inp Mixed core 2019-04-01 12:09:35 +02:00
C2H2.out Mixed core 2019-04-01 12:09:35 +02:00
C2H2.xyz Mixed core 2019-04-01 12:09:35 +02:00
C2H4.inp Mixed core 2019-04-01 12:09:35 +02:00
C2H4.out Mixed core 2019-04-01 12:09:35 +02:00
C2H4.xyz Mixed core 2019-04-01 12:09:35 +02:00
C2H6.inp Mixed core 2019-04-01 12:09:35 +02:00
C2H6.out Mixed core 2019-04-01 12:09:35 +02:00
C2H6.xyz Mixed core 2019-04-01 12:09:35 +02:00
ccsdt_fc_vqz.template Mixed core 2019-04-01 12:09:35 +02:00
CH2_1A1.inp Mixed core 2019-04-01 12:09:35 +02:00
CH2_1A1.out Mixed core 2019-04-01 12:09:35 +02:00
CH2_1A1.xyz Mixed core 2019-04-01 12:09:35 +02:00
CH2_3B1.inp Mixed core 2019-04-01 12:09:35 +02:00
CH2_3B1.out Mixed core 2019-04-01 12:09:35 +02:00
CH2_3B1.xyz Mixed core 2019-04-01 12:09:35 +02:00
CH3.inp Mixed core 2019-04-01 12:09:35 +02:00
CH3.out Mixed core 2019-04-01 12:09:35 +02:00
CH3.xyz Mixed core 2019-04-01 12:09:35 +02:00
CH3Cl.inp Mixed core 2019-04-01 12:09:35 +02:00
CH3Cl.out Mixed core 2019-04-01 12:09:35 +02:00
CH3Cl.xyz Mixed core 2019-04-01 12:09:35 +02:00
CH3SH.inp Mixed core 2019-04-01 12:09:35 +02:00
CH3SH.out Mixed core 2019-04-01 12:09:35 +02:00
CH3SH.xyz Mixed core 2019-04-01 12:09:35 +02:00
CH4.inp Mixed core 2019-04-01 12:09:35 +02:00
CH4.out Mixed core 2019-04-01 12:09:35 +02:00
CH4.xyz Mixed core 2019-04-01 12:09:35 +02:00
CH4O.inp Mixed core 2019-04-01 12:09:35 +02:00
CH4O.out Mixed core 2019-04-01 12:09:35 +02:00
CH4O.xyz Mixed core 2019-04-01 12:09:35 +02:00
CH.inp Mixed core 2019-04-01 12:09:35 +02:00
CH.out Mixed core 2019-04-01 12:09:35 +02:00
CH.xyz Mixed core 2019-04-01 12:09:35 +02:00
Cl2.inp Mixed core 2019-04-01 12:09:35 +02:00
Cl2.out Mixed core 2019-04-01 12:09:35 +02:00
Cl2.xyz Mixed core 2019-04-01 12:09:35 +02:00
ClF.inp Mixed core 2019-04-01 12:09:35 +02:00
ClF.out Mixed core 2019-04-01 12:09:35 +02:00
ClF.xyz Mixed core 2019-04-01 12:09:35 +02:00
ClO.inp Mixed core 2019-04-01 12:09:35 +02:00
ClO.out Mixed core 2019-04-01 12:09:35 +02:00
ClO.xyz Mixed core 2019-04-01 12:09:35 +02:00
CN.inp Mixed core 2019-04-01 12:09:35 +02:00
CN.out Mixed core 2019-04-01 12:09:35 +02:00
CN.xyz Mixed core 2019-04-01 12:09:35 +02:00
CO2.inp Mixed core 2019-04-01 12:09:35 +02:00
CO2.out Mixed core 2019-04-01 12:09:35 +02:00
CO2.xyz Mixed core 2019-04-01 12:09:35 +02:00
CO.inp Mixed core 2019-04-01 12:09:35 +02:00
CO.out Mixed core 2019-04-01 12:09:35 +02:00
CO.xyz Mixed core 2019-04-01 12:09:35 +02:00
copy.sh updated G09 data 2019-04-02 11:16:28 +02:00
create_ezfio.sh Mixed core 2019-04-01 12:09:35 +02:00
create_input.sh Mixed core 2019-04-01 12:09:35 +02:00
CS.inp Mixed core 2019-04-01 12:09:35 +02:00
CS.out Mixed core 2019-04-01 12:09:35 +02:00
CS.xyz Mixed core 2019-04-01 12:09:35 +02:00
F2.inp Mixed core 2019-04-01 12:09:35 +02:00
F2.out Mixed core 2019-04-01 12:09:35 +02:00
F2.xyz Mixed core 2019-04-01 12:09:35 +02:00
H2CO.inp Mixed core 2019-04-01 12:09:35 +02:00
H2CO.out Mixed core 2019-04-01 12:09:35 +02:00
H2CO.xyz Mixed core 2019-04-01 12:09:35 +02:00
H2O2.inp Mixed core 2019-04-01 12:09:35 +02:00
H2O2.out Mixed core 2019-04-01 12:09:35 +02:00
H2O2.xyz Mixed core 2019-04-01 12:09:35 +02:00
H2O.inp Mixed core 2019-04-01 12:09:35 +02:00
H2O.out Mixed core 2019-04-01 12:09:35 +02:00
H2O.xyz Mixed core 2019-04-01 12:09:35 +02:00
H2S.inp Mixed core 2019-04-01 12:09:35 +02:00
H2S.out Mixed core 2019-04-01 12:09:35 +02:00
H2S.xyz Mixed core 2019-04-01 12:09:35 +02:00
H3COH.inp Mixed core 2019-04-01 12:09:35 +02:00
H3COH.out Mixed core 2019-04-01 12:09:35 +02:00
H3COH.xyz Mixed core 2019-04-01 12:09:35 +02:00
H3CSH.inp Mixed core 2019-04-01 12:09:35 +02:00
H3CSH.out Mixed core 2019-04-01 12:09:35 +02:00
H3CSH.xyz Mixed core 2019-04-01 12:09:35 +02:00
HCl.inp Mixed core 2019-04-01 12:09:35 +02:00
HCl.out Mixed core 2019-04-01 12:09:35 +02:00
HCl.xyz Mixed core 2019-04-01 12:09:35 +02:00
HCN.inp Mixed core 2019-04-01 12:09:35 +02:00
HCN.out Mixed core 2019-04-01 12:09:35 +02:00
HCN.xyz Mixed core 2019-04-01 12:09:35 +02:00
HCO.inp Mixed core 2019-04-01 12:09:35 +02:00
HCO.out Mixed core 2019-04-01 12:09:35 +02:00
HCO.xyz Mixed core 2019-04-01 12:09:35 +02:00
HF.inp Mixed core 2019-04-01 12:09:35 +02:00
HF.out Mixed core 2019-04-01 12:09:35 +02:00
HF.xyz Mixed core 2019-04-01 12:09:35 +02:00
HOCl.inp Mixed core 2019-04-01 12:09:35 +02:00
HOCl.out Mixed core 2019-04-01 12:09:35 +02:00
HOCl.xyz Mixed core 2019-04-01 12:09:35 +02:00
Li2.inp Mixed core 2019-04-01 12:09:35 +02:00
Li2.out Mixed core 2019-04-01 12:09:35 +02:00
Li2.xyz Mixed core 2019-04-01 12:09:35 +02:00
LiF.inp Mixed core 2019-04-01 12:09:35 +02:00
LiF.out updated G09 data 2019-04-02 11:16:28 +02:00
LiF.xyz Mixed core 2019-04-01 12:09:35 +02:00
LiH.inp Mixed core 2019-04-01 12:09:35 +02:00
LiH.out Mixed core 2019-04-01 12:09:35 +02:00
LiH.xyz Mixed core 2019-04-01 12:09:35 +02:00
Mixed_core.tgz updated G09 data 2019-04-02 11:16:28 +02:00
N2.inp Mixed core 2019-04-01 12:09:35 +02:00
N2.out Mixed core 2019-04-01 12:09:35 +02:00
N2.xyz Mixed core 2019-04-01 12:09:35 +02:00
N2H4.inp Mixed core 2019-04-01 12:09:35 +02:00
N2H4.out Mixed core 2019-04-01 12:09:35 +02:00
N2H4.xyz Mixed core 2019-04-01 12:09:35 +02:00
Na2.inp Mixed core 2019-04-01 12:09:35 +02:00
Na2.out Mixed core 2019-04-01 12:09:35 +02:00
Na2.xyz Mixed core 2019-04-01 12:09:35 +02:00
NaCl.inp Mixed core 2019-04-01 12:09:35 +02:00
NaCl.out updated G09 data 2019-04-02 11:16:28 +02:00
NaCl.xyz Mixed core 2019-04-01 12:09:35 +02:00
NH2.inp Mixed core 2019-04-01 12:09:35 +02:00
NH2.out Mixed core 2019-04-01 12:09:35 +02:00
NH2.xyz Mixed core 2019-04-01 12:09:35 +02:00
NH3.inp Mixed core 2019-04-01 12:09:35 +02:00
NH3.out Mixed core 2019-04-01 12:09:35 +02:00
NH3.xyz Mixed core 2019-04-01 12:09:35 +02:00
NH.inp Mixed core 2019-04-01 12:09:35 +02:00
NH.out Mixed core 2019-04-01 12:09:35 +02:00
NH.xyz Mixed core 2019-04-01 12:09:35 +02:00
NO.inp Mixed core 2019-04-01 12:09:35 +02:00
NO.out Mixed core 2019-04-01 12:09:35 +02:00
NO.xyz Mixed core 2019-04-01 12:09:35 +02:00
O2.inp Mixed core 2019-04-01 12:09:35 +02:00
O2.out Mixed core 2019-04-01 12:09:35 +02:00
O2.xyz Mixed core 2019-04-01 12:09:35 +02:00
OH.inp Mixed core 2019-04-01 12:09:35 +02:00
OH.out Mixed core 2019-04-01 12:09:35 +02:00
OH.xyz Mixed core 2019-04-01 12:09:35 +02:00
P2.inp Mixed core 2019-04-01 12:09:35 +02:00
P2.out Mixed core 2019-04-01 12:09:35 +02:00
P2.xyz Mixed core 2019-04-01 12:09:35 +02:00
PH2.inp Mixed core 2019-04-01 12:09:35 +02:00
PH2.out Mixed core 2019-04-01 12:09:35 +02:00
PH2.xyz Mixed core 2019-04-01 12:09:35 +02:00
PH3.inp Mixed core 2019-04-01 12:09:35 +02:00
PH3.out Mixed core 2019-04-01 12:09:35 +02:00
PH3.xyz Mixed core 2019-04-01 12:09:35 +02:00
run_g09.sh Mixed core 2019-04-01 12:09:35 +02:00
S2.inp Mixed core 2019-04-01 12:09:35 +02:00
S2.out Mixed core 2019-04-01 12:09:35 +02:00
S2.xyz Mixed core 2019-04-01 12:09:35 +02:00
Si2.inp Mixed core 2019-04-01 12:09:35 +02:00
Si2.out Mixed core 2019-04-01 12:09:35 +02:00
Si2.xyz Mixed core 2019-04-01 12:09:35 +02:00
Si2H6.inp Mixed core 2019-04-01 12:09:35 +02:00
Si2H6.out Mixed core 2019-04-01 12:09:35 +02:00
Si2H6.xyz Mixed core 2019-04-01 12:09:35 +02:00
SiH2_1A1.inp Mixed core 2019-04-01 12:09:35 +02:00
SiH2_1A1.out Mixed core 2019-04-01 12:09:35 +02:00
SiH2_1A1.xyz Mixed core 2019-04-01 12:09:35 +02:00
SiH2_3B1.inp Mixed core 2019-04-01 12:09:35 +02:00
SiH2_3B1.out Mixed core 2019-04-01 12:09:35 +02:00
SiH2_3B1.xyz Mixed core 2019-04-01 12:09:35 +02:00
SiH3.inp Mixed core 2019-04-01 12:09:35 +02:00
SiH3.out Mixed core 2019-04-01 12:09:35 +02:00
SiH3.xyz Mixed core 2019-04-01 12:09:35 +02:00
SiH4.inp Mixed core 2019-04-01 12:09:35 +02:00
SiH4.out Mixed core 2019-04-01 12:09:35 +02:00
SiH4.xyz Mixed core 2019-04-01 12:09:35 +02:00
SiO.inp Mixed core 2019-04-01 12:09:35 +02:00
SiO.out Mixed core 2019-04-01 12:09:35 +02:00
SiO.xyz Mixed core 2019-04-01 12:09:35 +02:00
slurm-42176.out Mixed core 2019-04-01 12:09:35 +02:00
SO2.inp Mixed core 2019-04-01 12:09:35 +02:00
SO2.out Mixed core 2019-04-01 12:09:35 +02:00
SO2.xyz Mixed core 2019-04-01 12:09:35 +02:00
SO.inp Mixed core 2019-04-01 12:09:35 +02:00
SO.out Mixed core 2019-04-01 12:09:35 +02:00
SO.xyz Mixed core 2019-04-01 12:09:35 +02:00