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srDFT_G2/Ref/Inputs_G1
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Emmanuel Giner d507faf73b updated Inputs_G1
2019-03-26 20:24:09 +01:00
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Al.g09_zmat
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B.g09_zmat
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Be.g09_zmat
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BeH.g09_zmat
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C2H2.g09_not_sure_zmat
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C2H2.xyz
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C2H4.g09_zmat
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C2H6.g09_zmat
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C.g09_zmat
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CH2_1A1.g09_zmat
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CH2_3B1.g09_zmat
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CH3.g09_zmat
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CH3Cl.g09_zmat
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CH3SH.xyz
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CH4.g09_not_sure_zmat
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CH4.xyz
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CH.g09_zmat
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Cl2.g09_zmat
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Cl.g09_zmat
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ClF.g09_zmat
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ClO.g09_zmat
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CN.g09_zmat
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CO2.g09_not_sure_zmat
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CO2.xyz
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CO.g09_zmat
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create_ezfio_from_g09_xyz.sh
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CS.g09_zmat
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F2.g09_zmat
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F.g09_zmat
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H2CO.g09_zmat
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H2O2.g09_zmat
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H2O.g09_zmat
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H2S.g09_not_sure_zmat
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H2S.xyz
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H3COH.g09_not_sure_zmat
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H3COH.xyz
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H3CSH.g09_zmat
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H.g09_zmat
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HCl.g09_zmat
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HCN.g09_not_sure_zmat
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HCN.xyz
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HCO.g09_zmat
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HF.g09_zmat
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HOCl.g09_zmat
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Li2.g09_zmat
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Li.g09_zmat
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LiF.g09_zmat
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LiH.g09_zmat
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list_atoms
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list_molecules
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Mg.g09_zmat
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N2.g09_zmat
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N2H4.g09_not_sure_zmat
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N2H4.xyz
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N.g09_zmat
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Na2.g09_zmat
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Na.g09_zmat
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NaCl.g09_zmat
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NH2.g09_zmat
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NH3.g09_not_sure_zmat
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NH3.xyz
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NH.g09_zmat
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NO.g09_zmat
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O2.g09_zmat
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O.g09_zmat
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OH.g09_zmat
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P2.g09_zmat
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P.g09_zmat
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PH2.g09_not_sure_zmat
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PH2.xyz
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PH3.g09_not_sure_zmat
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PH3.xyz
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produce_HF.sh
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produce_tables_g09.sh
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qp_create_ezfio_from_g09_zmat
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S2.g09_zmat
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S.g09_zmat
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script_G2_VD.sh
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Si2.g09_zmat
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Si2H6.g09_zmat
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Si.g09_zmat
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SiH2_1A1.g09_zmat
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SiH2_3B1.g09_zmat
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SiH3.g09_not_sure_zmat
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SiH3.xyz
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SiH4.g09_zmat
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SiO.g09_zmat
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SO2.g09_zmat
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SO.g09_zmat
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