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srDFT_G2/Ref/Molecules
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Pierre-Francois Loos fb8af9da5a create_ezfio.sh
2019-03-25 23:18:37 +01:00
..
g09
create_ezfio.sh
2019-03-25 23:18:37 +01:00
atomization_energies
added all z matrix format
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BeH.xyz
added all z matrix format
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C2H2.xyz
added all z matrix format
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C2H4.xyz
added all z matrix format
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C2H6.xyz
added all z matrix format
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CH2_1A1.xyz
added all z matrix format
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CH2_3B1.xyz
added all z matrix format
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CH3.xyz
added all z matrix format
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CH3Cl.xyz
added all z matrix format
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CH3SH.xyz
added all z matrix format
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CH4.xyz
added all z matrix format
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CH4O.xyz
added all z matrix format
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CH.xyz
added all z matrix format
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Cl2.xyz
added all z matrix format
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ClF.xyz
added all z matrix format
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ClO.xyz
added all z matrix format
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CN.xyz
added all z matrix format
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CO2.xyz
added all z matrix format
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CO.xyz
added all z matrix format
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CS.xyz
added all z matrix format
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F2.xyz
added all z matrix format
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H2CO.xyz
added all z matrix format
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H2O2.xyz
added all z matrix format
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H2O.xyz
added all z matrix format
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H2S.xyz
added all z matrix format
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H3COH.xyz
added all z matrix format
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H3CSH.xyz
added all z matrix format
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HCl.xyz
added all z matrix format
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HCN.xyz
added all z matrix format
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HCO.xyz
added all z matrix format
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HF.xyz
added all z matrix format
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HOCl.xyz
added all z matrix format
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Li2.xyz
added all z matrix format
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LiF.xyz
added all z matrix format
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LiH.xyz
added all z matrix format
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list_molecules
added atoms
2019-03-25 22:17:20 +01:00
N2.xyz
added all z matrix format
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N2H4.xyz
added all z matrix format
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Na2.xyz
added all z matrix format
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NaCl.xyz
added all z matrix format
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NH2.xyz
added all z matrix format
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NH3.xyz
added all z matrix format
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NH.xyz
added all z matrix format
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NO.xyz
added all z matrix format
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O2.xyz
added all z matrix format
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OH.xyz
added all z matrix format
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P2.xyz
added all z matrix format
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PH2.xyz
added all z matrix format
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PH3.xyz
added all z matrix format
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S2.xyz
added all z matrix format
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Si2.xyz
added all z matrix format
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Si2H6.xyz
added all z matrix format
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SiH2_1A1.xyz
added all z matrix format
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SiH2_3B1.xyz
added all z matrix format
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SiH3.xyz
added all z matrix format
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SiH4.xyz
added all z matrix format
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SiO.xyz
added all z matrix format
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SO2.xyz
added all z matrix format
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SO.xyz
added all z matrix format
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