.. |
BeH.inp
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LC VQZ G2
|
2019-04-01 09:40:22 +02:00 |
BeH.out
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LC VQZ G2
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2019-04-01 09:40:22 +02:00 |
BeH.xyz
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LC VQZ G2
|
2019-04-01 09:40:22 +02:00 |
C2H2.inp
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LC VQZ G2
|
2019-04-01 09:40:22 +02:00 |
C2H2.out
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LC VQZ G2
|
2019-04-01 09:40:22 +02:00 |
C2H2.xyz
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LC VQZ G2
|
2019-04-01 09:40:22 +02:00 |
C2H4.inp
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LC VQZ G2
|
2019-04-01 09:40:22 +02:00 |
C2H4.out
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LC VQZ G2
|
2019-04-01 09:40:22 +02:00 |
C2H4.xyz
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LC VQZ G2
|
2019-04-01 09:40:22 +02:00 |
C2H6.inp
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LC VQZ G2
|
2019-04-01 09:40:22 +02:00 |
C2H6.out
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LC VQZ G2
|
2019-04-01 09:40:22 +02:00 |
C2H6.xyz
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LC VQZ G2
|
2019-04-01 09:40:22 +02:00 |
ccsdt_fc_vqz.template
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LC VQZ G2
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2019-04-01 09:40:22 +02:00 |
CH2_1A1.inp
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LC VQZ G2
|
2019-04-01 09:40:22 +02:00 |
CH2_1A1.out
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LC VQZ G2
|
2019-04-01 09:40:22 +02:00 |
CH2_1A1.xyz
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LC VQZ G2
|
2019-04-01 09:40:22 +02:00 |
CH2_3B1.inp
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LC VQZ G2
|
2019-04-01 09:40:22 +02:00 |
CH2_3B1.out
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LC VQZ G2
|
2019-04-01 09:40:22 +02:00 |
CH2_3B1.xyz
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LC VQZ G2
|
2019-04-01 09:40:22 +02:00 |
CH3.inp
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LC VQZ G2
|
2019-04-01 09:40:22 +02:00 |
CH3.out
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LC VQZ G2
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2019-04-01 09:40:22 +02:00 |
CH3.xyz
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LC VQZ G2
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2019-04-01 09:40:22 +02:00 |
CH3Cl.inp
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LC VQZ G2
|
2019-04-01 09:40:22 +02:00 |
CH3Cl.out
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LC VQZ G2
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2019-04-01 09:40:22 +02:00 |
CH3Cl.xyz
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LC VQZ G2
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2019-04-01 09:40:22 +02:00 |
CH3SH.inp
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LC VQZ G2
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2019-04-01 09:40:22 +02:00 |
CH3SH.out
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LC VQZ G2
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2019-04-01 09:40:22 +02:00 |
CH3SH.xyz
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LC VQZ G2
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2019-04-01 09:40:22 +02:00 |
CH4.inp
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LC VQZ G2
|
2019-04-01 09:40:22 +02:00 |
CH4.out
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LC VQZ G2
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2019-04-01 09:40:22 +02:00 |
CH4.xyz
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LC VQZ G2
|
2019-04-01 09:40:22 +02:00 |
CH4O.inp
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LC VQZ G2
|
2019-04-01 09:40:22 +02:00 |
CH4O.out
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LC VQZ G2
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2019-04-01 09:40:22 +02:00 |
CH4O.xyz
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LC VQZ G2
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2019-04-01 09:40:22 +02:00 |
CH.inp
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LC VQZ G2
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2019-04-01 09:40:22 +02:00 |
CH.out
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LC VQZ G2
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2019-04-01 09:40:22 +02:00 |
CH.xyz
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LC VQZ G2
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2019-04-01 09:40:22 +02:00 |
Cl2.inp
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LC VQZ G2
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2019-04-01 09:40:22 +02:00 |
Cl2.out
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LC VQZ G2
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2019-04-01 09:40:22 +02:00 |
Cl2.xyz
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LC VQZ G2
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2019-04-01 09:40:22 +02:00 |
ClF.inp
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LC VQZ G2
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2019-04-01 09:40:22 +02:00 |
ClF.out
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LC VQZ G2
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2019-04-01 09:40:22 +02:00 |
ClF.xyz
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LC VQZ G2
|
2019-04-01 09:40:22 +02:00 |
ClO.inp
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LC VQZ G2
|
2019-04-01 09:40:22 +02:00 |
ClO.out
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LC VQZ G2
|
2019-04-01 09:40:22 +02:00 |
ClO.xyz
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LC VQZ G2
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2019-04-01 09:40:22 +02:00 |
CN.inp
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LC VQZ G2
|
2019-04-01 09:40:22 +02:00 |
CN.out
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LC VQZ G2
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2019-04-01 09:40:22 +02:00 |
CN.xyz
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LC VQZ G2
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2019-04-01 09:40:22 +02:00 |
CO2.inp
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LC VQZ G2
|
2019-04-01 09:40:22 +02:00 |
CO2.out
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LC VQZ G2
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2019-04-01 09:40:22 +02:00 |
CO2.xyz
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LC VQZ G2
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2019-04-01 09:40:22 +02:00 |
CO.inp
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LC VQZ G2
|
2019-04-01 09:40:22 +02:00 |
CO.out
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LC VQZ G2
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2019-04-01 09:40:22 +02:00 |
CO.xyz
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LC VQZ G2
|
2019-04-01 09:40:22 +02:00 |
create_ezfio.sh
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LC VQZ G2
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2019-04-01 09:40:22 +02:00 |
create_input.sh
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LC VQZ G2
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2019-04-01 09:40:22 +02:00 |
CS.inp
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LC VQZ G2
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2019-04-01 09:40:22 +02:00 |
CS.out
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LC VQZ G2
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2019-04-01 09:40:22 +02:00 |
CS.xyz
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LC VQZ G2
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2019-04-01 09:40:22 +02:00 |
F2.inp
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LC VQZ G2
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2019-04-01 09:40:22 +02:00 |
F2.out
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LC VQZ G2
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2019-04-01 09:40:22 +02:00 |
F2.xyz
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LC VQZ G2
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2019-04-01 09:40:22 +02:00 |
H2CO.inp
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LC VQZ G2
|
2019-04-01 09:40:22 +02:00 |
H2CO.out
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LC VQZ G2
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2019-04-01 09:40:22 +02:00 |
H2CO.xyz
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LC VQZ G2
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2019-04-01 09:40:22 +02:00 |
H2O2.inp
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LC VQZ G2
|
2019-04-01 09:40:22 +02:00 |
H2O2.out
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LC VQZ G2
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2019-04-01 09:40:22 +02:00 |
H2O2.xyz
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LC VQZ G2
|
2019-04-01 09:40:22 +02:00 |
H2O.inp
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LC VQZ G2
|
2019-04-01 09:40:22 +02:00 |
H2O.out
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LC VQZ G2
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2019-04-01 09:40:22 +02:00 |
H2O.xyz
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LC VQZ G2
|
2019-04-01 09:40:22 +02:00 |
H2S.inp
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LC VQZ G2
|
2019-04-01 09:40:22 +02:00 |
H2S.out
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LC VQZ G2
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2019-04-01 09:40:22 +02:00 |
H2S.xyz
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LC VQZ G2
|
2019-04-01 09:40:22 +02:00 |
H3COH.inp
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LC VQZ G2
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2019-04-01 09:40:22 +02:00 |
H3COH.out
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LC VQZ G2
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2019-04-01 09:40:22 +02:00 |
H3COH.xyz
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LC VQZ G2
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2019-04-01 09:40:22 +02:00 |
H3CSH.inp
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LC VQZ G2
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2019-04-01 09:40:22 +02:00 |
H3CSH.out
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LC VQZ G2
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2019-04-01 09:40:22 +02:00 |
H3CSH.xyz
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LC VQZ G2
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2019-04-01 09:40:22 +02:00 |
HCl.inp
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LC VQZ G2
|
2019-04-01 09:40:22 +02:00 |
HCl.out
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LC VQZ G2
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2019-04-01 09:40:22 +02:00 |
HCl.xyz
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LC VQZ G2
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2019-04-01 09:40:22 +02:00 |
HCN.inp
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LC VQZ G2
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2019-04-01 09:40:22 +02:00 |
HCN.out
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LC VQZ G2
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2019-04-01 09:40:22 +02:00 |
HCN.xyz
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LC VQZ G2
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2019-04-01 09:40:22 +02:00 |
HCO.inp
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LC VQZ G2
|
2019-04-01 09:40:22 +02:00 |
HCO.out
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LC VQZ G2
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2019-04-01 09:40:22 +02:00 |
HCO.xyz
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LC VQZ G2
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2019-04-01 09:40:22 +02:00 |
HF.inp
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LC VQZ G2
|
2019-04-01 09:40:22 +02:00 |
HF.out
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LC VQZ G2
|
2019-04-01 09:40:22 +02:00 |
HF.xyz
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LC VQZ G2
|
2019-04-01 09:40:22 +02:00 |
HOCl.inp
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LC VQZ G2
|
2019-04-01 09:40:22 +02:00 |
HOCl.out
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LC VQZ G2
|
2019-04-01 09:40:22 +02:00 |
HOCl.xyz
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LC VQZ G2
|
2019-04-01 09:40:22 +02:00 |
Li2.inp
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LC VQZ G2
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2019-04-01 09:40:22 +02:00 |
Li2.out
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LC VQZ G2
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2019-04-01 09:40:22 +02:00 |
Li2.xyz
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LC VQZ G2
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2019-04-01 09:40:22 +02:00 |
LiF.inp
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LC VQZ G2
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2019-04-01 09:40:22 +02:00 |
LiF.out
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LC VQZ G2
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2019-04-01 09:40:22 +02:00 |
LiF.xyz
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LC VQZ G2
|
2019-04-01 09:40:22 +02:00 |
LiH.inp
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LC VQZ G2
|
2019-04-01 09:40:22 +02:00 |
LiH.out
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LC VQZ G2
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2019-04-01 09:40:22 +02:00 |
LiH.xyz
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LC VQZ G2
|
2019-04-01 09:40:22 +02:00 |
N2.inp
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LC VQZ G2
|
2019-04-01 09:40:22 +02:00 |
N2.out
|
LC VQZ G2
|
2019-04-01 09:40:22 +02:00 |
N2.xyz
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LC VQZ G2
|
2019-04-01 09:40:22 +02:00 |
N2H4.inp
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LC VQZ G2
|
2019-04-01 09:40:22 +02:00 |
N2H4.out
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LC VQZ G2
|
2019-04-01 09:40:22 +02:00 |
N2H4.xyz
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LC VQZ G2
|
2019-04-01 09:40:22 +02:00 |
Na2.inp
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LC VQZ G2
|
2019-04-01 09:40:22 +02:00 |
Na2.out
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LC VQZ G2
|
2019-04-01 09:40:22 +02:00 |
Na2.xyz
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LC VQZ G2
|
2019-04-01 09:40:22 +02:00 |
NaCl.inp
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LC VQZ G2
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2019-04-01 09:40:22 +02:00 |
NaCl.out
|
LC VQZ G2
|
2019-04-01 09:40:22 +02:00 |
NaCl.xyz
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LC VQZ G2
|
2019-04-01 09:40:22 +02:00 |
NH2.inp
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LC VQZ G2
|
2019-04-01 09:40:22 +02:00 |
NH2.out
|
LC VQZ G2
|
2019-04-01 09:40:22 +02:00 |
NH2.xyz
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LC VQZ G2
|
2019-04-01 09:40:22 +02:00 |
NH3.inp
|
LC VQZ G2
|
2019-04-01 09:40:22 +02:00 |
NH3.out
|
LC VQZ G2
|
2019-04-01 09:40:22 +02:00 |
NH3.xyz
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LC VQZ G2
|
2019-04-01 09:40:22 +02:00 |
NH.inp
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LC VQZ G2
|
2019-04-01 09:40:22 +02:00 |
NH.out
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LC VQZ G2
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2019-04-01 09:40:22 +02:00 |
NH.xyz
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LC VQZ G2
|
2019-04-01 09:40:22 +02:00 |
NO.inp
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LC VQZ G2
|
2019-04-01 09:40:22 +02:00 |
NO.out
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LC VQZ G2
|
2019-04-01 09:40:22 +02:00 |
NO.xyz
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LC VQZ G2
|
2019-04-01 09:40:22 +02:00 |
O2.inp
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LC VQZ G2
|
2019-04-01 09:40:22 +02:00 |
O2.out
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LC VQZ G2
|
2019-04-01 09:40:22 +02:00 |
O2.xyz
|
LC VQZ G2
|
2019-04-01 09:40:22 +02:00 |
OH.inp
|
LC VQZ G2
|
2019-04-01 09:40:22 +02:00 |
OH.out
|
LC VQZ G2
|
2019-04-01 09:40:22 +02:00 |
OH.xyz
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LC VQZ G2
|
2019-04-01 09:40:22 +02:00 |
P2.inp
|
LC VQZ G2
|
2019-04-01 09:40:22 +02:00 |
P2.out
|
LC VQZ G2
|
2019-04-01 09:40:22 +02:00 |
P2.xyz
|
LC VQZ G2
|
2019-04-01 09:40:22 +02:00 |
PH2.inp
|
LC VQZ G2
|
2019-04-01 09:40:22 +02:00 |
PH2.out
|
LC VQZ G2
|
2019-04-01 09:40:22 +02:00 |
PH2.xyz
|
LC VQZ G2
|
2019-04-01 09:40:22 +02:00 |
PH3.inp
|
LC VQZ G2
|
2019-04-01 09:40:22 +02:00 |
PH3.out
|
LC VQZ G2
|
2019-04-01 09:40:22 +02:00 |
PH3.xyz
|
LC VQZ G2
|
2019-04-01 09:40:22 +02:00 |
run_g09.sh
|
LC VQZ G2
|
2019-04-01 09:40:22 +02:00 |
S2.inp
|
LC VQZ G2
|
2019-04-01 09:40:22 +02:00 |
S2.out
|
LC VQZ G2
|
2019-04-01 09:40:22 +02:00 |
S2.xyz
|
LC VQZ G2
|
2019-04-01 09:40:22 +02:00 |
Si2.inp
|
LC VQZ G2
|
2019-04-01 09:40:22 +02:00 |
Si2.out
|
LC VQZ G2
|
2019-04-01 09:40:22 +02:00 |
Si2.xyz
|
LC VQZ G2
|
2019-04-01 09:40:22 +02:00 |
Si2H6.inp
|
LC VQZ G2
|
2019-04-01 09:40:22 +02:00 |
Si2H6.out
|
LC VQZ G2
|
2019-04-01 09:40:22 +02:00 |
Si2H6.xyz
|
LC VQZ G2
|
2019-04-01 09:40:22 +02:00 |
SiH2_1A1.inp
|
LC VQZ G2
|
2019-04-01 09:40:22 +02:00 |
SiH2_1A1.out
|
LC VQZ G2
|
2019-04-01 09:40:22 +02:00 |
SiH2_1A1.xyz
|
LC VQZ G2
|
2019-04-01 09:40:22 +02:00 |
SiH2_3B1.inp
|
LC VQZ G2
|
2019-04-01 09:40:22 +02:00 |
SiH2_3B1.out
|
LC VQZ G2
|
2019-04-01 09:40:22 +02:00 |
SiH2_3B1.xyz
|
LC VQZ G2
|
2019-04-01 09:40:22 +02:00 |
SiH3.inp
|
LC VQZ G2
|
2019-04-01 09:40:22 +02:00 |
SiH3.out
|
LC VQZ G2
|
2019-04-01 09:40:22 +02:00 |
SiH3.xyz
|
LC VQZ G2
|
2019-04-01 09:40:22 +02:00 |
SiH4.inp
|
LC VQZ G2
|
2019-04-01 09:40:22 +02:00 |
SiH4.out
|
LC VQZ G2
|
2019-04-01 09:40:22 +02:00 |
SiH4.xyz
|
LC VQZ G2
|
2019-04-01 09:40:22 +02:00 |
SiO.inp
|
LC VQZ G2
|
2019-04-01 09:40:22 +02:00 |
SiO.out
|
LC VQZ G2
|
2019-04-01 09:40:22 +02:00 |
SiO.xyz
|
LC VQZ G2
|
2019-04-01 09:40:22 +02:00 |
slurm-42176.out
|
LC VQZ G2
|
2019-04-01 09:40:22 +02:00 |
SO2.inp
|
LC VQZ G2
|
2019-04-01 09:40:22 +02:00 |
SO2.out
|
LC VQZ G2
|
2019-04-01 09:40:22 +02:00 |
SO2.xyz
|
LC VQZ G2
|
2019-04-01 09:40:22 +02:00 |
SO.inp
|
LC VQZ G2
|
2019-04-01 09:40:22 +02:00 |
SO.out
|
LC VQZ G2
|
2019-04-01 09:40:22 +02:00 |
SO.xyz
|
LC VQZ G2
|
2019-04-01 09:40:22 +02:00 |