srDFT_G2/G09/Mixed_core/Molecules/v5z
2019-04-05 16:07:41 +02:00
..
BeH.inp added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
BeH.out added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
BeH.xyz added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
C2H2.inp added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
C2H2.out added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
C2H2.xyz added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
C2H4.inp added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
C2H4.out added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
C2H4.xyz added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
C2H6.inp added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
C2H6.out added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
C2H6.xyz added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
ccsdt_fc_v5z.template added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
CH2_1A1.inp added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
CH2_1A1.out added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
CH2_1A1.xyz added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
CH2_3B1.inp added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
CH2_3B1.out added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
CH2_3B1.xyz added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
CH3.inp added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
CH3.out added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
CH3.xyz added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
CH3Cl.inp added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
CH3Cl.out added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
CH3Cl.xyz added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
CH3SH.inp added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
CH3SH.out added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
CH3SH.xyz added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
CH4.inp added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
CH4.out added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
CH4.xyz added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
CH4O.inp added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
CH4O.out added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
CH4O.xyz added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
CH.inp added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
CH.out added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
CH.xyz added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
Cl2.inp added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
Cl2.out added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
Cl2.xyz added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
ClF.inp added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
ClF.out added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
ClF.xyz added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
ClO.inp added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
ClO.out added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
ClO.xyz added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
CN.inp added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
CN.out added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
CN.xyz added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
CO2.inp added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
CO2.out added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
CO2.xyz added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
CO.inp added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
CO.out added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
CO.xyz added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
create_ezfio.sh added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
create_input.sh added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
CS.inp added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
CS.out added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
CS.xyz added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
F2.inp added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
F2.out added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
F2.xyz added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
H2CO.inp added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
H2CO.out added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
H2CO.xyz added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
H2O2.inp added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
H2O2.out added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
H2O2.xyz added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
H2O.inp added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
H2O.out added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
H2O.xyz added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
H2S.inp added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
H2S.out added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
H2S.xyz added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
H3COH.inp added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
H3COH.out added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
H3COH.xyz added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
H3CSH.inp added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
H3CSH.out added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
H3CSH.xyz added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
HCl.inp added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
HCl.out added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
HCl.xyz added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
HCN.inp added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
HCN.out added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
HCN.xyz added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
HCO.inp added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
HCO.out added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
HCO.xyz added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
HF.inp added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
HF.out added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
HF.xyz added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
HOCl.inp added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
HOCl.out added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
HOCl.xyz added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
Li2.inp added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
Li2.out added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
Li2.xyz added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
LiF.inp updated 2019-04-05 16:07:41 +02:00
LiF.out updated 2019-04-05 16:07:41 +02:00
LiF.xyz added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
LiH.inp added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
LiH.out added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
LiH.xyz added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
N2.inp added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
N2.out added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
N2.xyz added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
N2H4.inp added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
N2H4.out added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
N2H4.xyz added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
Na2.inp added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
Na2.out added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
Na2.xyz added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
NaCl.inp updated 2019-04-05 16:07:41 +02:00
NaCl.out updated 2019-04-05 16:07:41 +02:00
NaCl.xyz added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
NH2.inp added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
NH2.out added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
NH2.xyz added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
NH3.inp added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
NH3.out added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
NH3.xyz added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
NH.inp added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
NH.out added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
NH.xyz added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
NO.inp added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
NO.out added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
NO.xyz added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
O2.inp added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
O2.out added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
O2.xyz added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
OH.inp added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
OH.out added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
OH.xyz added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
P2.inp added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
P2.out added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
P2.xyz added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
PH2.inp added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
PH2.out added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
PH2.xyz added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
PH3.inp added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
PH3.out added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
PH3.xyz added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
run_g09.sh added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
S2.inp added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
S2.out added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
S2.xyz added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
Si2.inp added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
Si2.out added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
Si2.xyz added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
Si2H6.inp added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
Si2H6.out added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
Si2H6.xyz added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
SiH2_1A1.inp added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
SiH2_1A1.out added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
SiH2_1A1.xyz added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
SiH2_3B1.inp added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
SiH2_3B1.out added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
SiH2_3B1.xyz added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
SiH3.inp added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
SiH3.out added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
SiH3.xyz added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
SiH4.inp added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
SiH4.out added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
SiH4.xyz added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
SiO.inp added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
SiO.out added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
SiO.xyz added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
slurm-42440.out added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
slurm-42503.out added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
SO2.inp added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
SO2.out added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
SO2.xyz added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
SO.inp added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
SO.out added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
SO.xyz added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00