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VDZ
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VDZ and VTZ
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2019-03-26 11:00:25 +01:00 |
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VTZ
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VDZ and VTZ
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2019-03-26 11:00:25 +01:00 |
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BeH.out
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g09 output files
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2019-03-26 09:43:27 +01:00 |
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BeH.xyz
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g09 input
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2019-03-25 22:30:19 +01:00 |
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C2H2.out
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g09 output files
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2019-03-26 09:43:27 +01:00 |
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C2H2.xyz
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g09 input
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2019-03-25 22:30:19 +01:00 |
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C2H4.out
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g09 output files
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2019-03-26 09:43:27 +01:00 |
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C2H4.xyz
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g09 input
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2019-03-25 22:30:19 +01:00 |
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C2H6.out
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g09 output files
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2019-03-26 09:43:27 +01:00 |
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C2H6.xyz
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g09 input
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2019-03-25 22:30:19 +01:00 |
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ccsdt_fc_vdz.template
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RO
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2019-03-25 23:26:29 +01:00 |
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CH2_1A1.out
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g09 output files
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2019-03-26 09:43:27 +01:00 |
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CH2_1A1.xyz
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g09 input
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2019-03-25 22:30:19 +01:00 |
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CH2_3B1.out
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g09 output files
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2019-03-26 09:43:27 +01:00 |
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CH2_3B1.xyz
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g09 input
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2019-03-25 22:30:19 +01:00 |
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CH3.out
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g09 output files
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2019-03-26 09:43:27 +01:00 |
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CH3.xyz
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create_ezfio.sh
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2019-03-25 23:18:37 +01:00 |
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CH3Cl.out
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g09 output files
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2019-03-26 09:43:27 +01:00 |
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CH3Cl.xyz
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g09 input
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2019-03-25 22:30:19 +01:00 |
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CH3SH.out
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g09 output files
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2019-03-26 09:43:27 +01:00 |
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CH3SH.xyz
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g09 input
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2019-03-25 22:30:19 +01:00 |
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CH4.out
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g09 output files
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2019-03-26 09:43:27 +01:00 |
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CH4.xyz
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g09 input
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2019-03-25 22:30:19 +01:00 |
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CH4O.out
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g09 output files
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2019-03-26 09:43:27 +01:00 |
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CH4O.xyz
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g09 input
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2019-03-25 22:30:19 +01:00 |
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CH.out
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g09 output files
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2019-03-26 09:43:27 +01:00 |
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CH.xyz
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g09 input
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2019-03-25 22:30:19 +01:00 |
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Cl2.out
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g09 output files
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2019-03-26 09:43:27 +01:00 |
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Cl2.xyz
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g09 input
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2019-03-25 22:30:19 +01:00 |
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ClF.out
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g09 output files
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2019-03-26 09:43:27 +01:00 |
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ClF.xyz
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g09 input
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2019-03-25 22:30:19 +01:00 |
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ClO.out
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g09 output files
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2019-03-26 09:43:27 +01:00 |
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ClO.xyz
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g09 input
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2019-03-25 22:30:19 +01:00 |
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CN.out
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g09 output files
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2019-03-26 09:43:27 +01:00 |
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CN.xyz
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g09 input
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2019-03-25 22:30:19 +01:00 |
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CO2.out
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g09 output files
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2019-03-26 09:43:27 +01:00 |
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CO2.xyz
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g09 input
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2019-03-25 22:30:19 +01:00 |
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CO.out
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g09 output files
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2019-03-26 09:43:27 +01:00 |
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CO.xyz
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g09 input
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2019-03-25 22:30:19 +01:00 |
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create_ezfio.sh
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create_ezfio.sh
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2019-03-25 23:18:37 +01:00 |
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create_input.sh
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g09 files
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2019-03-25 22:47:41 +01:00 |
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CS.out
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g09 output files
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2019-03-26 09:43:27 +01:00 |
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CS.xyz
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g09 input
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2019-03-25 22:30:19 +01:00 |
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F2.out
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g09 output files
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2019-03-26 09:43:27 +01:00 |
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F2.xyz
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g09 input
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2019-03-25 22:30:19 +01:00 |
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H2CO.out
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g09 output files
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2019-03-26 09:43:27 +01:00 |
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H2CO.xyz
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g09 input
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2019-03-25 22:30:19 +01:00 |
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H2O2.out
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g09 output files
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2019-03-26 09:43:27 +01:00 |
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H2O2.xyz
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g09 input
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2019-03-25 22:30:19 +01:00 |
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H2O.out
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g09 output files
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2019-03-26 09:43:27 +01:00 |
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H2O.xyz
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g09 input
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2019-03-25 22:30:19 +01:00 |
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H2S.out
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g09 output files
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2019-03-26 09:43:27 +01:00 |
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H2S.xyz
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g09 input
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2019-03-25 22:30:19 +01:00 |
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H3COH.out
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g09 output files
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2019-03-26 09:43:27 +01:00 |
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H3COH.xyz
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g09 input
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2019-03-25 22:30:19 +01:00 |
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H3CSH.out
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g09 output files
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2019-03-26 09:43:27 +01:00 |
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H3CSH.xyz
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g09 input
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2019-03-25 22:30:19 +01:00 |
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HCl.out
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g09 output files
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2019-03-26 09:43:27 +01:00 |
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HCl.xyz
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g09 input
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2019-03-25 22:30:19 +01:00 |
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HCN.out
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g09 output files
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2019-03-26 09:43:27 +01:00 |
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HCN.xyz
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g09 input
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2019-03-25 22:30:19 +01:00 |
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HCO.out
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g09 output files
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2019-03-26 09:43:27 +01:00 |
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HCO.xyz
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g09 input
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2019-03-25 22:30:19 +01:00 |
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HF.out
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g09 output files
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2019-03-26 09:43:27 +01:00 |
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HF.xyz
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g09 input
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2019-03-25 22:30:19 +01:00 |
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HOCl.out
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g09 output files
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2019-03-26 09:43:27 +01:00 |
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HOCl.xyz
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g09 input
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2019-03-25 22:30:19 +01:00 |
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Li2.out
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g09 output files
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2019-03-26 09:43:27 +01:00 |
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Li2.xyz
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g09 input
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2019-03-25 22:30:19 +01:00 |
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LiF.out
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g09 output files
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2019-03-26 09:43:27 +01:00 |
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LiF.xyz
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g09 input
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2019-03-25 22:30:19 +01:00 |
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LiH.out
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g09 output files
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2019-03-26 09:43:27 +01:00 |
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LiH.xyz
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g09 input
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2019-03-25 22:30:19 +01:00 |
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N2.out
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g09 output files
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2019-03-26 09:43:27 +01:00 |
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N2.xyz
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g09 input
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2019-03-25 22:30:19 +01:00 |
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N2H4.out
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g09 output files
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2019-03-26 09:43:27 +01:00 |
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N2H4.xyz
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g09 input
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2019-03-25 22:30:19 +01:00 |
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Na2.out
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g09 output files
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2019-03-26 09:43:27 +01:00 |
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Na2.xyz
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g09 input
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2019-03-25 22:30:19 +01:00 |
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NaCl.out
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g09 output files
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2019-03-26 09:43:27 +01:00 |
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NaCl.xyz
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g09 input
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2019-03-25 22:30:19 +01:00 |
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NH2.out
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g09 output files
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2019-03-26 09:43:27 +01:00 |
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NH2.xyz
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g09 input
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2019-03-25 22:30:19 +01:00 |
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NH3.out
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g09 output files
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2019-03-26 09:43:27 +01:00 |
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NH3.xyz
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g09 input
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2019-03-25 22:30:19 +01:00 |
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NH.out
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g09 output files
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2019-03-26 09:43:27 +01:00 |
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NH.xyz
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g09 input
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2019-03-25 22:30:19 +01:00 |
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NO.out
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g09 output files
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2019-03-26 09:43:27 +01:00 |
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NO.xyz
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g09 input
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2019-03-25 22:30:19 +01:00 |
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O2.out
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g09 output files
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2019-03-26 09:43:27 +01:00 |
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O2.xyz
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g09 input
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2019-03-25 22:30:19 +01:00 |
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OH.out
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g09 output files
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2019-03-26 09:43:27 +01:00 |
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OH.xyz
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g09 input
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2019-03-25 22:30:19 +01:00 |
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P2.out
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g09 output files
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2019-03-26 09:43:27 +01:00 |
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P2.xyz
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g09 input
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2019-03-25 22:30:19 +01:00 |
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PH2.out
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g09 output files
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2019-03-26 09:43:27 +01:00 |
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PH2.xyz
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g09 input
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2019-03-25 22:30:19 +01:00 |
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PH3.out
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g09 output files
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2019-03-26 09:43:27 +01:00 |
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PH3.xyz
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g09 input
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2019-03-25 22:30:19 +01:00 |
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run_g09.sh
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g09 output files
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2019-03-26 09:43:27 +01:00 |
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S2.out
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g09 output files
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2019-03-26 09:43:27 +01:00 |
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S2.xyz
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g09 input
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2019-03-25 22:30:19 +01:00 |
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Si2.out
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g09 output files
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2019-03-26 09:43:27 +01:00 |
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Si2.xyz
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g09 input
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2019-03-25 22:30:19 +01:00 |
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Si2H6.out
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g09 output files
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2019-03-26 09:43:27 +01:00 |
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Si2H6.xyz
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g09 input
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2019-03-25 22:30:19 +01:00 |
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SiH2_1A1.out
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g09 output files
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2019-03-26 09:43:27 +01:00 |
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SiH2_1A1.xyz
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g09 input
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2019-03-25 22:30:19 +01:00 |
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SiH2_3B1.out
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g09 output files
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2019-03-26 09:43:27 +01:00 |
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SiH2_3B1.xyz
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g09 input
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2019-03-25 22:30:19 +01:00 |
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SiH3.out
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g09 output files
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2019-03-26 09:43:27 +01:00 |
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SiH3.xyz
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g09 input
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2019-03-25 22:30:19 +01:00 |
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SiH4.out
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g09 output files
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2019-03-26 09:43:27 +01:00 |
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SiH4.xyz
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g09 input
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2019-03-25 22:30:19 +01:00 |
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SiO.out
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g09 output files
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2019-03-26 09:43:27 +01:00 |
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SiO.xyz
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g09 input
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2019-03-25 22:30:19 +01:00 |
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SO2.out
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g09 output files
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2019-03-26 09:43:27 +01:00 |
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SO2.xyz
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g09 input
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2019-03-25 22:30:19 +01:00 |
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SO.out
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g09 output files
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2019-03-26 09:43:27 +01:00 |
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SO.xyz
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g09 input
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2019-03-25 22:30:19 +01:00 |
