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srDFT_G2/Ref/Molecules/g09
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Pierre-Francois Loos 6583b8441d VDZ and VTZ
2019-03-26 11:00:25 +01:00
..
VDZ
VDZ and VTZ
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VTZ
VDZ and VTZ
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BeH.out
g09 output files
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BeH.xyz
g09 input
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C2H2.out
g09 output files
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C2H2.xyz
g09 input
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C2H4.out
g09 output files
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C2H4.xyz
g09 input
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C2H6.out
g09 output files
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C2H6.xyz
g09 input
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ccsdt_fc_vdz.template
RO
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CH2_1A1.out
g09 output files
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CH2_1A1.xyz
g09 input
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CH2_3B1.out
g09 output files
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CH2_3B1.xyz
g09 input
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CH3.out
g09 output files
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CH3.xyz
create_ezfio.sh
2019-03-25 23:18:37 +01:00
CH3Cl.out
g09 output files
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CH3Cl.xyz
g09 input
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CH3SH.out
g09 output files
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CH3SH.xyz
g09 input
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CH4.out
g09 output files
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CH4.xyz
g09 input
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CH4O.out
g09 output files
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CH4O.xyz
g09 input
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CH.out
g09 output files
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CH.xyz
g09 input
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Cl2.out
g09 output files
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Cl2.xyz
g09 input
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ClF.out
g09 output files
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ClF.xyz
g09 input
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ClO.out
g09 output files
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ClO.xyz
g09 input
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CN.out
g09 output files
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CN.xyz
g09 input
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CO2.out
g09 output files
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CO2.xyz
g09 input
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CO.out
g09 output files
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CO.xyz
g09 input
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create_ezfio.sh
create_ezfio.sh
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create_input.sh
g09 files
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CS.out
g09 output files
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CS.xyz
g09 input
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F2.out
g09 output files
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F2.xyz
g09 input
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H2CO.out
g09 output files
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H2CO.xyz
g09 input
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H2O2.out
g09 output files
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H2O2.xyz
g09 input
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H2O.out
g09 output files
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H2O.xyz
g09 input
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H2S.out
g09 output files
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H2S.xyz
g09 input
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H3COH.out
g09 output files
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H3COH.xyz
g09 input
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H3CSH.out
g09 output files
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H3CSH.xyz
g09 input
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HCl.out
g09 output files
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HCl.xyz
g09 input
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HCN.out
g09 output files
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HCN.xyz
g09 input
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HCO.out
g09 output files
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HCO.xyz
g09 input
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HF.out
g09 output files
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HF.xyz
g09 input
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HOCl.out
g09 output files
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HOCl.xyz
g09 input
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Li2.out
g09 output files
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Li2.xyz
g09 input
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LiF.out
g09 output files
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LiF.xyz
g09 input
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LiH.out
g09 output files
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LiH.xyz
g09 input
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N2.out
g09 output files
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N2.xyz
g09 input
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N2H4.out
g09 output files
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N2H4.xyz
g09 input
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Na2.out
g09 output files
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Na2.xyz
g09 input
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NaCl.out
g09 output files
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NaCl.xyz
g09 input
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NH2.out
g09 output files
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NH2.xyz
g09 input
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NH3.out
g09 output files
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NH3.xyz
g09 input
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NH.out
g09 output files
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NH.xyz
g09 input
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NO.out
g09 output files
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NO.xyz
g09 input
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O2.out
g09 output files
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O2.xyz
g09 input
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OH.out
g09 output files
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OH.xyz
g09 input
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P2.out
g09 output files
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P2.xyz
g09 input
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PH2.out
g09 output files
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PH2.xyz
g09 input
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PH3.out
g09 output files
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PH3.xyz
g09 input
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run_g09.sh
g09 output files
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S2.out
g09 output files
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S2.xyz
g09 input
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Si2.out
g09 output files
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Si2.xyz
g09 input
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Si2H6.out
g09 output files
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Si2H6.xyz
g09 input
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SiH2_1A1.out
g09 output files
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SiH2_1A1.xyz
g09 input
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SiH2_3B1.out
g09 output files
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SiH2_3B1.xyz
g09 input
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SiH3.out
g09 output files
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SiH3.xyz
g09 input
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SiH4.out
g09 output files
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SiH4.xyz
g09 input
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SiO.out
g09 output files
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SiO.xyz
g09 input
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SO2.out
g09 output files
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SO2.xyz
g09 input
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SO.out
g09 output files
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SO.xyz
g09 input
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