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g09
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VDZ and VTZ
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2019-03-26 11:00:25 +01:00 |
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atomization_energies
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added all z matrix format
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2019-03-25 22:12:44 +01:00 |
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BeH.xyz
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added all z matrix format
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2019-03-25 22:12:44 +01:00 |
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C2H2.xyz
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added all z matrix format
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2019-03-25 22:12:44 +01:00 |
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C2H4.xyz
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added all z matrix format
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2019-03-25 22:12:44 +01:00 |
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C2H6.xyz
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added all z matrix format
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2019-03-25 22:12:44 +01:00 |
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CH2_1A1.xyz
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added all z matrix format
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2019-03-25 22:12:44 +01:00 |
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CH2_3B1.xyz
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added all z matrix format
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2019-03-25 22:12:44 +01:00 |
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CH3.xyz
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added all z matrix format
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2019-03-25 22:12:44 +01:00 |
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CH3Cl.xyz
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added all z matrix format
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2019-03-25 22:12:44 +01:00 |
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CH3SH.xyz
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added all z matrix format
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2019-03-25 22:12:44 +01:00 |
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CH4.xyz
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added all z matrix format
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2019-03-25 22:12:44 +01:00 |
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CH4O.xyz
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added all z matrix format
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2019-03-25 22:12:44 +01:00 |
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CH.xyz
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added all z matrix format
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2019-03-25 22:12:44 +01:00 |
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Cl2.xyz
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added all z matrix format
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2019-03-25 22:12:44 +01:00 |
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ClF.xyz
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added all z matrix format
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2019-03-25 22:12:44 +01:00 |
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ClO.xyz
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added all z matrix format
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2019-03-25 22:12:44 +01:00 |
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CN.xyz
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added all z matrix format
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2019-03-25 22:12:44 +01:00 |
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CO2.xyz
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added all z matrix format
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2019-03-25 22:12:44 +01:00 |
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CO.xyz
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added all z matrix format
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2019-03-25 22:12:44 +01:00 |
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CS.xyz
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added all z matrix format
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2019-03-25 22:12:44 +01:00 |
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F2.xyz
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added all z matrix format
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2019-03-25 22:12:44 +01:00 |
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H2CO.xyz
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added all z matrix format
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2019-03-25 22:12:44 +01:00 |
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H2O2.xyz
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added all z matrix format
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2019-03-25 22:12:44 +01:00 |
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H2O.xyz
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added all z matrix format
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2019-03-25 22:12:44 +01:00 |
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H2S.xyz
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added all z matrix format
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2019-03-25 22:12:44 +01:00 |
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H3COH.xyz
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added all z matrix format
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2019-03-25 22:12:44 +01:00 |
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H3CSH.xyz
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added all z matrix format
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2019-03-25 22:12:44 +01:00 |
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HCl.xyz
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added all z matrix format
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2019-03-25 22:12:44 +01:00 |
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HCN.xyz
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added all z matrix format
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2019-03-25 22:12:44 +01:00 |
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HCO.xyz
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added all z matrix format
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2019-03-25 22:12:44 +01:00 |
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HF.xyz
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added all z matrix format
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2019-03-25 22:12:44 +01:00 |
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HOCl.xyz
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added all z matrix format
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2019-03-25 22:12:44 +01:00 |
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Li2.xyz
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added all z matrix format
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2019-03-25 22:12:44 +01:00 |
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LiF.xyz
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added all z matrix format
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2019-03-25 22:12:44 +01:00 |
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LiH.xyz
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added all z matrix format
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2019-03-25 22:12:44 +01:00 |
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list_molecules
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added atoms
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2019-03-25 22:17:20 +01:00 |
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N2.xyz
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added all z matrix format
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2019-03-25 22:12:44 +01:00 |
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N2H4.xyz
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added all z matrix format
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2019-03-25 22:12:44 +01:00 |
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Na2.xyz
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added all z matrix format
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2019-03-25 22:12:44 +01:00 |
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NaCl.xyz
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added all z matrix format
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2019-03-25 22:12:44 +01:00 |
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NH2.xyz
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added all z matrix format
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2019-03-25 22:12:44 +01:00 |
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NH3.xyz
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added all z matrix format
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2019-03-25 22:12:44 +01:00 |
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NH.xyz
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added all z matrix format
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2019-03-25 22:12:44 +01:00 |
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NO.xyz
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added all z matrix format
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2019-03-25 22:12:44 +01:00 |
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O2.xyz
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added all z matrix format
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2019-03-25 22:12:44 +01:00 |
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OH.xyz
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added all z matrix format
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2019-03-25 22:12:44 +01:00 |
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P2.xyz
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added all z matrix format
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2019-03-25 22:12:44 +01:00 |
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PH2.xyz
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added all z matrix format
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2019-03-25 22:12:44 +01:00 |
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PH3.xyz
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added all z matrix format
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2019-03-25 22:12:44 +01:00 |
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qp_create_ezfio_from_g09_zmat
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updated qp_create_ezfio_from_g09_zmat
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2019-03-26 14:26:07 +01:00 |
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S2.xyz
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added all z matrix format
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2019-03-25 22:12:44 +01:00 |
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Si2.xyz
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added all z matrix format
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2019-03-25 22:12:44 +01:00 |
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Si2H6.xyz
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added all z matrix format
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2019-03-25 22:12:44 +01:00 |
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SiH2_1A1.xyz
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added all z matrix format
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2019-03-25 22:12:44 +01:00 |
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SiH2_3B1.xyz
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added all z matrix format
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2019-03-25 22:12:44 +01:00 |
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SiH3.xyz
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added all z matrix format
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2019-03-25 22:12:44 +01:00 |
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SiH4.xyz
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added all z matrix format
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2019-03-25 22:12:44 +01:00 |
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SiO.xyz
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added all z matrix format
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2019-03-25 22:12:44 +01:00 |
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SO2.xyz
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added all z matrix format
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2019-03-25 22:12:44 +01:00 |
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SO.xyz
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added all z matrix format
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2019-03-25 22:12:44 +01:00 |
