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srDFT_G2/G09/Mixed_core/Molecules/vqz
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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
Mixed core
2019-04-01 12:09:35 +02:00
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
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
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
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
added Li2.out BeH.out LiH.out Na2.out for mixed core in vqz
2019-04-02 12:28:53 +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
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
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
added Li2.out BeH.out LiH.out Na2.out for mixed core in vqz
2019-04-02 12:28:53 +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