Index of

Last updated : Thu Apr 27 02:27:22 JST 2017
Total : 127 (120) in this page
052627199.b3lyp_6-31g(d).inp

052627199.b3lyp_6-31g(d).qchem.inp (generated)

052627199.b3lyp_6-31g(d).gjf (generated)

052627199.b3lyp_6-31g(d).firefly.inp (generated)

052627199.b3lyp_6-31g(d).smash.inp (generated)

052627199.b3lyp_6-31g(d).nwchem.inp (generated) 052627199.b3lyp_6-31g(d).log.xz 052627199.td-b3lyp_6-31g+(d).inp 052627199.td-b3lyp_6-31g+(d).log.xz

052627199.td-b3lyp_6-31+g(d).qchem.inp (generated)

052627199.td-b3lyp_6-31+g(d).gjf (generated)

052627199.td-b3lyp_6-31+g(d).firefly.inp (generated)

052627199.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052627199.mol 052627199.PUBCHEM 052627199.mol (via Jmol)
052630352.b3lyp_6-31g(d).inp

052630352.b3lyp_6-31g(d).qchem.inp (generated)

052630352.b3lyp_6-31g(d).gjf (generated)

052630352.b3lyp_6-31g(d).firefly.inp (generated)

052630352.b3lyp_6-31g(d).smash.inp (generated)

052630352.b3lyp_6-31g(d).nwchem.inp (generated) 052630352.b3lyp_6-31g(d).log.xz 052630352.td-b3lyp_6-31g+(d).inp 052630352.td-b3lyp_6-31g+(d).log.xz

052630352.td-b3lyp_6-31+g(d).qchem.inp (generated)

052630352.td-b3lyp_6-31+g(d).gjf (generated)

052630352.td-b3lyp_6-31+g(d).firefly.inp (generated)

052630352.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052630352.mol 052630352.PUBCHEM 052630352.mol (via Jmol)
052632956.b3lyp_6-31g(d).inp

052632956.b3lyp_6-31g(d).qchem.inp (generated)

052632956.b3lyp_6-31g(d).gjf (generated)

052632956.b3lyp_6-31g(d).firefly.inp (generated)

052632956.b3lyp_6-31g(d).smash.inp (generated)

052632956.b3lyp_6-31g(d).nwchem.inp (generated) 052632956.b3lyp_6-31g(d).log.xz 052632956.td-b3lyp_6-31g+(d).inp 052632956.td-b3lyp_6-31g+(d).log.xz

052632956.td-b3lyp_6-31+g(d).qchem.inp (generated)

052632956.td-b3lyp_6-31+g(d).gjf (generated)

052632956.td-b3lyp_6-31+g(d).firefly.inp (generated)

052632956.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052632956.mol 052632956.PUBCHEM 052632956.mol (via Jmol)
052632957.b3lyp_6-31g(d).inp

052632957.b3lyp_6-31g(d).qchem.inp (generated)

052632957.b3lyp_6-31g(d).gjf (generated)

052632957.b3lyp_6-31g(d).firefly.inp (generated)

052632957.b3lyp_6-31g(d).smash.inp (generated)

052632957.b3lyp_6-31g(d).nwchem.inp (generated) 052632957.b3lyp_6-31g(d).log.xz 052632957.td-b3lyp_6-31g+(d).inp 052632957.td-b3lyp_6-31g+(d).log.xz

052632957.td-b3lyp_6-31+g(d).qchem.inp (generated)

052632957.td-b3lyp_6-31+g(d).gjf (generated)

052632957.td-b3lyp_6-31+g(d).firefly.inp (generated)

052632957.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052632957.mol 052632957.PUBCHEM 052632957.mol (via Jmol)
052632959.b3lyp_6-31g(d).inp

052632959.b3lyp_6-31g(d).qchem.inp (generated)

052632959.b3lyp_6-31g(d).gjf (generated)

052632959.b3lyp_6-31g(d).firefly.inp (generated)

052632959.b3lyp_6-31g(d).smash.inp (generated)

052632959.b3lyp_6-31g(d).nwchem.inp (generated) 052632959.b3lyp_6-31g(d).log.xz 052632959.td-b3lyp_6-31g+(d).inp 052632959.td-b3lyp_6-31g+(d).log.xz

052632959.td-b3lyp_6-31+g(d).qchem.inp (generated)

052632959.td-b3lyp_6-31+g(d).gjf (generated)

052632959.td-b3lyp_6-31+g(d).firefly.inp (generated)

052632959.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052632959.mol 052632959.PUBCHEM 052632959.mol (via Jmol)
052633729.b3lyp_6-31g(d).inp

052633729.b3lyp_6-31g(d).qchem.inp (generated)

052633729.b3lyp_6-31g(d).gjf (generated)

052633729.b3lyp_6-31g(d).firefly.inp (generated)

052633729.b3lyp_6-31g(d).smash.inp (generated)

052633729.b3lyp_6-31g(d).nwchem.inp (generated) 052633729.b3lyp_6-31g(d).log.xz 052633729.td-b3lyp_6-31g+(d).inp 052633729.td-b3lyp_6-31g+(d).log.xz

052633729.td-b3lyp_6-31+g(d).qchem.inp (generated)

052633729.td-b3lyp_6-31+g(d).gjf (generated)

052633729.td-b3lyp_6-31+g(d).firefly.inp (generated)

052633729.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052633729.mol 052633729.PUBCHEM 052633729.mol (via Jmol)
052633946.b3lyp_6-31g(d).inp

052633946.b3lyp_6-31g(d).qchem.inp (generated)

052633946.b3lyp_6-31g(d).gjf (generated)

052633946.b3lyp_6-31g(d).firefly.inp (generated)

052633946.b3lyp_6-31g(d).smash.inp (generated)

052633946.b3lyp_6-31g(d).nwchem.inp (generated) 052633946.b3lyp_6-31g(d).log.xz 052633946.mol 052633946.PUBCHEM 052633946.mol (via Jmol)
052634402.b3lyp_6-31g(d).inp

052634402.b3lyp_6-31g(d).qchem.inp (generated)

052634402.b3lyp_6-31g(d).gjf (generated)

052634402.b3lyp_6-31g(d).firefly.inp (generated)

052634402.b3lyp_6-31g(d).smash.inp (generated)

052634402.b3lyp_6-31g(d).nwchem.inp (generated) 052634402.b3lyp_6-31g(d).log.xz 052634402.td-b3lyp_6-31g+(d).inp 052634402.td-b3lyp_6-31g+(d).log.xz

052634402.td-b3lyp_6-31+g(d).qchem.inp (generated)

052634402.td-b3lyp_6-31+g(d).gjf (generated)

052634402.td-b3lyp_6-31+g(d).firefly.inp (generated)

052634402.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052634402.mol 052634402.PUBCHEM 052634402.mol (via Jmol)
052634411.b3lyp_6-31g(d).inp

052634411.b3lyp_6-31g(d).qchem.inp (generated)

052634411.b3lyp_6-31g(d).gjf (generated)

052634411.b3lyp_6-31g(d).firefly.inp (generated)

052634411.b3lyp_6-31g(d).smash.inp (generated)

052634411.b3lyp_6-31g(d).nwchem.inp (generated) 052634411.b3lyp_6-31g(d).log.xz 052634411.td-b3lyp_6-31g+(d).inp 052634411.td-b3lyp_6-31g+(d).log.xz

052634411.td-b3lyp_6-31+g(d).qchem.inp (generated)

052634411.td-b3lyp_6-31+g(d).gjf (generated)

052634411.td-b3lyp_6-31+g(d).firefly.inp (generated)

052634411.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052634411.mol 052634411.PUBCHEM 052634411.mol (via Jmol)
052634440.b3lyp_6-31g(d).inp

052634440.b3lyp_6-31g(d).qchem.inp (generated)

052634440.b3lyp_6-31g(d).gjf (generated)

052634440.b3lyp_6-31g(d).firefly.inp (generated)

052634440.b3lyp_6-31g(d).smash.inp (generated)

052634440.b3lyp_6-31g(d).nwchem.inp (generated) 052634440.b3lyp_6-31g(d).log.xz 052634440.mol 052634440.PUBCHEM 052634440.mol (via Jmol)
052634443.b3lyp_6-31g(d).inp

052634443.b3lyp_6-31g(d).qchem.inp (generated)

052634443.b3lyp_6-31g(d).gjf (generated)

052634443.b3lyp_6-31g(d).firefly.inp (generated)

052634443.b3lyp_6-31g(d).smash.inp (generated)

052634443.b3lyp_6-31g(d).nwchem.inp (generated) 052634443.b3lyp_6-31g(d).log.xz 052634443.mol 052634443.PUBCHEM 052634443.mol (via Jmol)
052634687.b3lyp_6-31g(d).inp

052634687.b3lyp_6-31g(d).qchem.inp (generated)

052634687.b3lyp_6-31g(d).gjf (generated)

052634687.b3lyp_6-31g(d).firefly.inp (generated)

052634687.b3lyp_6-31g(d).smash.inp (generated)

052634687.b3lyp_6-31g(d).nwchem.inp (generated) 052634687.b3lyp_6-31g(d).log.xz 052634687.td-b3lyp_6-31g+(d).inp 052634687.td-b3lyp_6-31g+(d).log.xz

052634687.td-b3lyp_6-31+g(d).qchem.inp (generated)

052634687.td-b3lyp_6-31+g(d).gjf (generated)

052634687.td-b3lyp_6-31+g(d).firefly.inp (generated)

052634687.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052634687.mol 052634687.PUBCHEM 052634687.mol (via Jmol)
052634722.b3lyp_6-31g(d).inp

052634722.b3lyp_6-31g(d).qchem.inp (generated)

052634722.b3lyp_6-31g(d).gjf (generated)

052634722.b3lyp_6-31g(d).firefly.inp (generated)

052634722.b3lyp_6-31g(d).smash.inp (generated)

052634722.b3lyp_6-31g(d).nwchem.inp (generated) 052634722.b3lyp_6-31g(d).log.xz 052634722.td-b3lyp_6-31g+(d).inp 052634722.td-b3lyp_6-31g+(d).log.xz

052634722.td-b3lyp_6-31+g(d).qchem.inp (generated)

052634722.td-b3lyp_6-31+g(d).gjf (generated)

052634722.td-b3lyp_6-31+g(d).firefly.inp (generated)

052634722.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052634722.mol 052634722.PUBCHEM 052634722.mol (via Jmol)
052635527.b3lyp_6-31g(d).inp

052635527.b3lyp_6-31g(d).qchem.inp (generated)

052635527.b3lyp_6-31g(d).gjf (generated)

052635527.b3lyp_6-31g(d).firefly.inp (generated)

052635527.b3lyp_6-31g(d).smash.inp (generated)

052635527.b3lyp_6-31g(d).nwchem.inp (generated) 052635527.b3lyp_6-31g(d).log.xz 052635527.td-b3lyp_6-31g+(d).inp 052635527.td-b3lyp_6-31g+(d).log.xz

052635527.td-b3lyp_6-31+g(d).qchem.inp (generated)

052635527.td-b3lyp_6-31+g(d).gjf (generated)

052635527.td-b3lyp_6-31+g(d).firefly.inp (generated)

052635527.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052635527.mol 052635527.PUBCHEM 052635527.mol (via Jmol)
052635633.b3lyp_6-31g(d).inp

052635633.b3lyp_6-31g(d).qchem.inp (generated)

052635633.b3lyp_6-31g(d).gjf (generated)

052635633.b3lyp_6-31g(d).firefly.inp (generated)

052635633.b3lyp_6-31g(d).smash.inp (generated)

052635633.b3lyp_6-31g(d).nwchem.inp (generated) 052635633.b3lyp_6-31g(d).log.xz 052635633.td-b3lyp_6-31g+(d).inp 052635633.td-b3lyp_6-31g+(d).log.xz

052635633.td-b3lyp_6-31+g(d).qchem.inp (generated)

052635633.td-b3lyp_6-31+g(d).gjf (generated)

052635633.td-b3lyp_6-31+g(d).firefly.inp (generated)

052635633.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052635633.mol 052635633.PUBCHEM 052635633.mol (via Jmol)
052635669.b3lyp_6-31g(d).inp

052635669.b3lyp_6-31g(d).qchem.inp (generated)

052635669.b3lyp_6-31g(d).gjf (generated)

052635669.b3lyp_6-31g(d).firefly.inp (generated)

052635669.b3lyp_6-31g(d).smash.inp (generated)

052635669.b3lyp_6-31g(d).nwchem.inp (generated) 052635669.b3lyp_6-31g(d).log.xz 052635669.td-b3lyp_6-31g+(d).inp 052635669.td-b3lyp_6-31g+(d).log.xz

052635669.td-b3lyp_6-31+g(d).qchem.inp (generated)

052635669.td-b3lyp_6-31+g(d).gjf (generated)

052635669.td-b3lyp_6-31+g(d).firefly.inp (generated)

052635669.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052635669.mol 052635669.PUBCHEM 052635669.mol (via Jmol)
052635693.b3lyp_6-31g(d).inp

052635693.b3lyp_6-31g(d).qchem.inp (generated)

052635693.b3lyp_6-31g(d).gjf (generated)

052635693.b3lyp_6-31g(d).firefly.inp (generated)

052635693.b3lyp_6-31g(d).smash.inp (generated)

052635693.b3lyp_6-31g(d).nwchem.inp (generated) 052635693.b3lyp_6-31g(d).log.xz 052635693.td-b3lyp_6-31g+(d).inp 052635693.td-b3lyp_6-31g+(d).log.xz

052635693.td-b3lyp_6-31+g(d).qchem.inp (generated)

052635693.td-b3lyp_6-31+g(d).gjf (generated)

052635693.td-b3lyp_6-31+g(d).firefly.inp (generated)

052635693.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052635693.mol 052635693.PUBCHEM 052635693.mol (via Jmol)
052635876.b3lyp_6-31g(d).inp

052635876.b3lyp_6-31g(d).qchem.inp (generated)

052635876.b3lyp_6-31g(d).gjf (generated)

052635876.b3lyp_6-31g(d).firefly.inp (generated)

052635876.b3lyp_6-31g(d).smash.inp (generated)

052635876.b3lyp_6-31g(d).nwchem.inp (generated) 052635876.b3lyp_6-31g(d).log.xz 052635876.td-b3lyp_6-31g+(d).inp 052635876.td-b3lyp_6-31g+(d).log.xz

052635876.td-b3lyp_6-31+g(d).qchem.inp (generated)

052635876.td-b3lyp_6-31+g(d).gjf (generated)

052635876.td-b3lyp_6-31+g(d).firefly.inp (generated)

052635876.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052635876.mol 052635876.PUBCHEM 052635876.mol (via Jmol)
052636058.b3lyp_6-31g(d).inp

052636058.b3lyp_6-31g(d).qchem.inp (generated)

052636058.b3lyp_6-31g(d).gjf (generated)

052636058.b3lyp_6-31g(d).firefly.inp (generated)

052636058.b3lyp_6-31g(d).smash.inp (generated)

052636058.b3lyp_6-31g(d).nwchem.inp (generated) 052636058.b3lyp_6-31g(d).log.xz 052636058.td-b3lyp_6-31g+(d).inp 052636058.td-b3lyp_6-31g+(d).log.xz

052636058.td-b3lyp_6-31+g(d).qchem.inp (generated)

052636058.td-b3lyp_6-31+g(d).gjf (generated)

052636058.td-b3lyp_6-31+g(d).firefly.inp (generated)

052636058.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052636058.mol 052636058.PUBCHEM 052636058.mol (via Jmol)
052636123.b3lyp_6-31g(d).inp

052636123.b3lyp_6-31g(d).qchem.inp (generated)

052636123.b3lyp_6-31g(d).gjf (generated)

052636123.b3lyp_6-31g(d).firefly.inp (generated)

052636123.b3lyp_6-31g(d).smash.inp (generated)

052636123.b3lyp_6-31g(d).nwchem.inp (generated) 052636123.b3lyp_6-31g(d).log.xz 052636123.td-b3lyp_6-31g+(d).inp 052636123.td-b3lyp_6-31g+(d).log.xz

052636123.td-b3lyp_6-31+g(d).qchem.inp (generated)

052636123.td-b3lyp_6-31+g(d).gjf (generated)

052636123.td-b3lyp_6-31+g(d).firefly.inp (generated)

052636123.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052636123.mol 052636123.PUBCHEM 052636123.mol (via Jmol)
052636243.b3lyp_6-31g(d).inp

052636243.b3lyp_6-31g(d).qchem.inp (generated)

052636243.b3lyp_6-31g(d).gjf (generated)

052636243.b3lyp_6-31g(d).firefly.inp (generated)

052636243.b3lyp_6-31g(d).smash.inp (generated)

052636243.b3lyp_6-31g(d).nwchem.inp (generated) 052636243.b3lyp_6-31g(d).log.xz 052636243.td-b3lyp_6-31g+(d).inp 052636243.td-b3lyp_6-31g+(d).log.xz

052636243.td-b3lyp_6-31+g(d).qchem.inp (generated)

052636243.td-b3lyp_6-31+g(d).gjf (generated)

052636243.td-b3lyp_6-31+g(d).firefly.inp (generated)

052636243.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052636243.mol 052636243.PUBCHEM 052636243.mol (via Jmol)
052639439.b3lyp_6-31g(d).inp

052639439.b3lyp_6-31g(d).qchem.inp (generated)

052639439.b3lyp_6-31g(d).gjf (generated)

052639439.b3lyp_6-31g(d).firefly.inp (generated)

052639439.b3lyp_6-31g(d).smash.inp (generated)

052639439.b3lyp_6-31g(d).nwchem.inp (generated) 052639439.b3lyp_6-31g(d).log.xz 052639439.td-b3lyp_6-31g+(d).inp 052639439.td-b3lyp_6-31g+(d).log.xz

052639439.td-b3lyp_6-31+g(d).qchem.inp (generated)

052639439.td-b3lyp_6-31+g(d).gjf (generated)

052639439.td-b3lyp_6-31+g(d).firefly.inp (generated)

052639439.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052639439.mol 052639439.PUBCHEM 052639439.mol (via Jmol)
052639469.b3lyp_6-31g(d).inp

052639469.b3lyp_6-31g(d).qchem.inp (generated)

052639469.b3lyp_6-31g(d).gjf (generated)

052639469.b3lyp_6-31g(d).firefly.inp (generated)

052639469.b3lyp_6-31g(d).smash.inp (generated)

052639469.b3lyp_6-31g(d).nwchem.inp (generated) 052639469.b3lyp_6-31g(d).log.xz 052639469.td-b3lyp_6-31g+(d).inp 052639469.td-b3lyp_6-31g+(d).log.xz

052639469.td-b3lyp_6-31+g(d).qchem.inp (generated)

052639469.td-b3lyp_6-31+g(d).gjf (generated)

052639469.td-b3lyp_6-31+g(d).firefly.inp (generated)

052639469.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052639469.mol 052639469.PUBCHEM 052639469.mol (via Jmol)
052639557.b3lyp_6-31g(d).inp

052639557.b3lyp_6-31g(d).qchem.inp (generated)

052639557.b3lyp_6-31g(d).gjf (generated)

052639557.b3lyp_6-31g(d).firefly.inp (generated)

052639557.b3lyp_6-31g(d).smash.inp (generated)

052639557.b3lyp_6-31g(d).nwchem.inp (generated) 052639557.b3lyp_6-31g(d).log.xz 052639557.td-b3lyp_6-31g+(d).inp 052639557.td-b3lyp_6-31g+(d).log.xz

052639557.td-b3lyp_6-31+g(d).qchem.inp (generated)

052639557.td-b3lyp_6-31+g(d).gjf (generated)

052639557.td-b3lyp_6-31+g(d).firefly.inp (generated)

052639557.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052639557.mol 052639557.PUBCHEM 052639557.mol (via Jmol)
052639606.b3lyp_6-31g(d).inp

052639606.b3lyp_6-31g(d).qchem.inp (generated)

052639606.b3lyp_6-31g(d).gjf (generated)

052639606.b3lyp_6-31g(d).firefly.inp (generated)

052639606.b3lyp_6-31g(d).smash.inp (generated)

052639606.b3lyp_6-31g(d).nwchem.inp (generated) 052639606.b3lyp_6-31g(d).log.xz 052639606.td-b3lyp_6-31g+(d).inp 052639606.td-b3lyp_6-31g+(d).log.xz

052639606.td-b3lyp_6-31+g(d).qchem.inp (generated)

052639606.td-b3lyp_6-31+g(d).gjf (generated)

052639606.td-b3lyp_6-31+g(d).firefly.inp (generated)

052639606.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052639606.mol 052639606.PUBCHEM 052639606.mol (via Jmol)
052641070.b3lyp_6-31g(d).inp

052641070.b3lyp_6-31g(d).qchem.inp (generated)

052641070.b3lyp_6-31g(d).gjf (generated)

052641070.b3lyp_6-31g(d).firefly.inp (generated)

052641070.b3lyp_6-31g(d).smash.inp (generated)

052641070.b3lyp_6-31g(d).nwchem.inp (generated) 052641070.b3lyp_6-31g(d).log.xz 052641070.td-b3lyp_6-31g+(d).inp 052641070.td-b3lyp_6-31g+(d).log.xz

052641070.td-b3lyp_6-31+g(d).qchem.inp (generated)

052641070.td-b3lyp_6-31+g(d).gjf (generated)

052641070.td-b3lyp_6-31+g(d).firefly.inp (generated)

052641070.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052641070.mol 052641070.PUBCHEM 052641070.mol (via Jmol)
052641073.b3lyp_6-31g(d).inp

052641073.b3lyp_6-31g(d).qchem.inp (generated)

052641073.b3lyp_6-31g(d).gjf (generated)

052641073.b3lyp_6-31g(d).firefly.inp (generated)

052641073.b3lyp_6-31g(d).smash.inp (generated)

052641073.b3lyp_6-31g(d).nwchem.inp (generated) 052641073.b3lyp_6-31g(d).log.xz 052641073.mol 052641073.PUBCHEM 052641073.mol (via Jmol)
052641075.b3lyp_6-31g(d).inp

052641075.b3lyp_6-31g(d).qchem.inp (generated)

052641075.b3lyp_6-31g(d).gjf (generated)

052641075.b3lyp_6-31g(d).firefly.inp (generated)

052641075.b3lyp_6-31g(d).smash.inp (generated)

052641075.b3lyp_6-31g(d).nwchem.inp (generated) 052641075.b3lyp_6-31g(d).log.xz 052641075.td-b3lyp_6-31g+(d).inp 052641075.td-b3lyp_6-31g+(d).log.xz

052641075.td-b3lyp_6-31+g(d).qchem.inp (generated)

052641075.td-b3lyp_6-31+g(d).gjf (generated)

052641075.td-b3lyp_6-31+g(d).firefly.inp (generated)

052641075.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052641075.mol 052641075.PUBCHEM 052641075.mol (via Jmol)
052641076.b3lyp_6-31g(d).inp

052641076.b3lyp_6-31g(d).qchem.inp (generated)

052641076.b3lyp_6-31g(d).gjf (generated)

052641076.b3lyp_6-31g(d).firefly.inp (generated)

052641076.b3lyp_6-31g(d).smash.inp (generated)

052641076.b3lyp_6-31g(d).nwchem.inp (generated) 052641076.b3lyp_6-31g(d).log.xz 052641076.td-b3lyp_6-31g+(d).inp 052641076.td-b3lyp_6-31g+(d).log.xz

052641076.td-b3lyp_6-31+g(d).qchem.inp (generated)

052641076.td-b3lyp_6-31+g(d).gjf (generated)

052641076.td-b3lyp_6-31+g(d).firefly.inp (generated)

052641076.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052641076.mol 052641076.PUBCHEM 052641076.mol (via Jmol)
052641077.b3lyp_6-31g(d).inp

052641077.b3lyp_6-31g(d).qchem.inp (generated)

052641077.b3lyp_6-31g(d).gjf (generated)

052641077.b3lyp_6-31g(d).firefly.inp (generated)

052641077.b3lyp_6-31g(d).smash.inp (generated)

052641077.b3lyp_6-31g(d).nwchem.inp (generated) 052641077.b3lyp_6-31g(d).log.xz 052641077.td-b3lyp_6-31g+(d).inp 052641077.td-b3lyp_6-31g+(d).log.xz

052641077.td-b3lyp_6-31+g(d).qchem.inp (generated)

052641077.td-b3lyp_6-31+g(d).gjf (generated)

052641077.td-b3lyp_6-31+g(d).firefly.inp (generated)

052641077.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052641077.mol 052641077.PUBCHEM 052641077.mol (via Jmol)
052641084.b3lyp_6-31g(d).inp

052641084.b3lyp_6-31g(d).qchem.inp (generated)

052641084.b3lyp_6-31g(d).gjf (generated)

052641084.b3lyp_6-31g(d).firefly.inp (generated)

052641084.b3lyp_6-31g(d).smash.inp (generated)

052641084.b3lyp_6-31g(d).nwchem.inp (generated) 052641084.b3lyp_6-31g(d).log.xz 052641084.td-b3lyp_6-31g+(d).inp 052641084.td-b3lyp_6-31g+(d).log.xz

052641084.td-b3lyp_6-31+g(d).qchem.inp (generated)

052641084.td-b3lyp_6-31+g(d).gjf (generated)

052641084.td-b3lyp_6-31+g(d).firefly.inp (generated)

052641084.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052641084.mol 052641084.PUBCHEM 052641084.mol (via Jmol)
052641360.b3lyp_6-31g(d).inp

052641360.b3lyp_6-31g(d).qchem.inp (generated)

052641360.b3lyp_6-31g(d).gjf (generated)

052641360.b3lyp_6-31g(d).firefly.inp (generated)

052641360.b3lyp_6-31g(d).smash.inp (generated)

052641360.b3lyp_6-31g(d).nwchem.inp (generated) 052641360.b3lyp_6-31g(d).log.xz 052641360.td-b3lyp_6-31g+(d).inp 052641360.td-b3lyp_6-31g+(d).log.xz

052641360.td-b3lyp_6-31+g(d).qchem.inp (generated)

052641360.td-b3lyp_6-31+g(d).gjf (generated)

052641360.td-b3lyp_6-31+g(d).firefly.inp (generated)

052641360.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052641360.mol 052641360.PUBCHEM 052641360.mol (via Jmol)
052641362.b3lyp_6-31g(d).inp

052641362.b3lyp_6-31g(d).qchem.inp (generated)

052641362.b3lyp_6-31g(d).gjf (generated)

052641362.b3lyp_6-31g(d).firefly.inp (generated)

052641362.b3lyp_6-31g(d).smash.inp (generated)

052641362.b3lyp_6-31g(d).nwchem.inp (generated) 052641362.b3lyp_6-31g(d).log.xz 052641362.td-b3lyp_6-31g+(d).inp 052641362.td-b3lyp_6-31g+(d).log.xz

052641362.td-b3lyp_6-31+g(d).qchem.inp (generated)

052641362.td-b3lyp_6-31+g(d).gjf (generated)

052641362.td-b3lyp_6-31+g(d).firefly.inp (generated)

052641362.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052641362.mol 052641362.PUBCHEM 052641362.mol (via Jmol)
052641392.b3lyp_6-31g(d).inp

052641392.b3lyp_6-31g(d).qchem.inp (generated)

052641392.b3lyp_6-31g(d).gjf (generated)

052641392.b3lyp_6-31g(d).firefly.inp (generated)

052641392.b3lyp_6-31g(d).smash.inp (generated)

052641392.b3lyp_6-31g(d).nwchem.inp (generated) 052641392.b3lyp_6-31g(d).log.xz 052641392.td-b3lyp_6-31g+(d).inp 052641392.td-b3lyp_6-31g+(d).log.xz

052641392.td-b3lyp_6-31+g(d).qchem.inp (generated)

052641392.td-b3lyp_6-31+g(d).gjf (generated)

052641392.td-b3lyp_6-31+g(d).firefly.inp (generated)

052641392.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052641392.mol 052641392.PUBCHEM 052641392.mol (via Jmol)
052641415.b3lyp_6-31g(d).inp

052641415.b3lyp_6-31g(d).qchem.inp (generated)

052641415.b3lyp_6-31g(d).gjf (generated)

052641415.b3lyp_6-31g(d).firefly.inp (generated)

052641415.b3lyp_6-31g(d).smash.inp (generated)

052641415.b3lyp_6-31g(d).nwchem.inp (generated) 052641415.b3lyp_6-31g(d).log.xz 052641415.td-b3lyp_6-31g+(d).inp 052641415.td-b3lyp_6-31g+(d).log.xz

052641415.td-b3lyp_6-31+g(d).qchem.inp (generated)

052641415.td-b3lyp_6-31+g(d).gjf (generated)

052641415.td-b3lyp_6-31+g(d).firefly.inp (generated)

052641415.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052641415.mol 052641415.PUBCHEM 052641415.mol (via Jmol)
052641416.b3lyp_6-31g(d).inp

052641416.b3lyp_6-31g(d).qchem.inp (generated)

052641416.b3lyp_6-31g(d).gjf (generated)

052641416.b3lyp_6-31g(d).firefly.inp (generated)

052641416.b3lyp_6-31g(d).smash.inp (generated)

052641416.b3lyp_6-31g(d).nwchem.inp (generated) 052641416.b3lyp_6-31g(d).log.xz 052641416.td-b3lyp_6-31g+(d).inp 052641416.td-b3lyp_6-31g+(d).log.xz

052641416.td-b3lyp_6-31+g(d).qchem.inp (generated)

052641416.td-b3lyp_6-31+g(d).gjf (generated)

052641416.td-b3lyp_6-31+g(d).firefly.inp (generated)

052641416.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052641416.mol 052641416.PUBCHEM 052641416.mol (via Jmol)
052642190.b3lyp_6-31g(d).inp

052642190.b3lyp_6-31g(d).qchem.inp (generated)

052642190.b3lyp_6-31g(d).gjf (generated)

052642190.b3lyp_6-31g(d).firefly.inp (generated)

052642190.b3lyp_6-31g(d).smash.inp (generated)

052642190.b3lyp_6-31g(d).nwchem.inp (generated) 052642190.b3lyp_6-31g(d).log.xz 052642190.td-b3lyp_6-31g+(d).inp 052642190.td-b3lyp_6-31g+(d).log.xz

052642190.td-b3lyp_6-31+g(d).qchem.inp (generated)

052642190.td-b3lyp_6-31+g(d).gjf (generated)

052642190.td-b3lyp_6-31+g(d).firefly.inp (generated)

052642190.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052642190.mol 052642190.PUBCHEM 052642190.mol (via Jmol)
052642254.b3lyp_6-31g(d).inp

052642254.b3lyp_6-31g(d).qchem.inp (generated)

052642254.b3lyp_6-31g(d).gjf (generated)

052642254.b3lyp_6-31g(d).firefly.inp (generated)

052642254.b3lyp_6-31g(d).smash.inp (generated)

052642254.b3lyp_6-31g(d).nwchem.inp (generated) 052642254.b3lyp_6-31g(d).log.xz 052642254.td-b3lyp_6-31g+(d).inp 052642254.td-b3lyp_6-31g+(d).log.xz

052642254.td-b3lyp_6-31+g(d).qchem.inp (generated)

052642254.td-b3lyp_6-31+g(d).gjf (generated)

052642254.td-b3lyp_6-31+g(d).firefly.inp (generated)

052642254.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052642254.mol 052642254.PUBCHEM 052642254.mol (via Jmol)
052643008.b3lyp_6-31g(d).inp

052643008.b3lyp_6-31g(d).qchem.inp (generated)

052643008.b3lyp_6-31g(d).gjf (generated)

052643008.b3lyp_6-31g(d).firefly.inp (generated)

052643008.b3lyp_6-31g(d).smash.inp (generated)

052643008.b3lyp_6-31g(d).nwchem.inp (generated) 052643008.b3lyp_6-31g(d).log.xz 052643008.td-b3lyp_6-31g+(d).inp 052643008.td-b3lyp_6-31g+(d).log.xz

052643008.td-b3lyp_6-31+g(d).qchem.inp (generated)

052643008.td-b3lyp_6-31+g(d).gjf (generated)

052643008.td-b3lyp_6-31+g(d).firefly.inp (generated)

052643008.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052643008.mol 052643008.PUBCHEM 052643008.mol (via Jmol)
052643009.b3lyp_6-31g(d).inp

052643009.b3lyp_6-31g(d).qchem.inp (generated)

052643009.b3lyp_6-31g(d).gjf (generated)

052643009.b3lyp_6-31g(d).firefly.inp (generated)

052643009.b3lyp_6-31g(d).smash.inp (generated)

052643009.b3lyp_6-31g(d).nwchem.inp (generated) 052643009.b3lyp_6-31g(d).log.xz 052643009.td-b3lyp_6-31g+(d).inp 052643009.td-b3lyp_6-31g+(d).log.xz

052643009.td-b3lyp_6-31+g(d).qchem.inp (generated)

052643009.td-b3lyp_6-31+g(d).gjf (generated)

052643009.td-b3lyp_6-31+g(d).firefly.inp (generated)

052643009.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052643009.mol 052643009.PUBCHEM 052643009.mol (via Jmol)
052643013.b3lyp_6-31g(d).inp

052643013.b3lyp_6-31g(d).qchem.inp (generated)

052643013.b3lyp_6-31g(d).gjf (generated)

052643013.b3lyp_6-31g(d).firefly.inp (generated)

052643013.b3lyp_6-31g(d).smash.inp (generated)

052643013.b3lyp_6-31g(d).nwchem.inp (generated) 052643013.b3lyp_6-31g(d).log.xz 052643013.mol 052643013.PUBCHEM 052643013.mol (via Jmol)
052643019.b3lyp_6-31g(d).inp

052643019.b3lyp_6-31g(d).qchem.inp (generated)

052643019.b3lyp_6-31g(d).gjf (generated)

052643019.b3lyp_6-31g(d).firefly.inp (generated)

052643019.b3lyp_6-31g(d).smash.inp (generated)

052643019.b3lyp_6-31g(d).nwchem.inp (generated) 052643019.b3lyp_6-31g(d).log.xz 052643019.td-b3lyp_6-31g+(d).inp 052643019.td-b3lyp_6-31g+(d).log.xz

052643019.td-b3lyp_6-31+g(d).qchem.inp (generated)

052643019.td-b3lyp_6-31+g(d).gjf (generated)

052643019.td-b3lyp_6-31+g(d).firefly.inp (generated)

052643019.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052643019.mol 052643019.PUBCHEM 052643019.mol (via Jmol)
052643020.b3lyp_6-31g(d).inp

052643020.b3lyp_6-31g(d).qchem.inp (generated)

052643020.b3lyp_6-31g(d).gjf (generated)

052643020.b3lyp_6-31g(d).firefly.inp (generated)

052643020.b3lyp_6-31g(d).smash.inp (generated)

052643020.b3lyp_6-31g(d).nwchem.inp (generated) 052643020.b3lyp_6-31g(d).log.xz 052643020.td-b3lyp_6-31g+(d).inp 052643020.td-b3lyp_6-31g+(d).log.xz

052643020.td-b3lyp_6-31+g(d).qchem.inp (generated)

052643020.td-b3lyp_6-31+g(d).gjf (generated)

052643020.td-b3lyp_6-31+g(d).firefly.inp (generated)

052643020.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052643020.mol 052643020.PUBCHEM 052643020.mol (via Jmol)
052643021.b3lyp_6-31g(d).inp

052643021.b3lyp_6-31g(d).qchem.inp (generated)

052643021.b3lyp_6-31g(d).gjf (generated)

052643021.b3lyp_6-31g(d).firefly.inp (generated)

052643021.b3lyp_6-31g(d).smash.inp (generated)

052643021.b3lyp_6-31g(d).nwchem.inp (generated) 052643021.b3lyp_6-31g(d).log.xz 052643021.td-b3lyp_6-31g+(d).inp 052643021.td-b3lyp_6-31g+(d).log.xz

052643021.td-b3lyp_6-31+g(d).qchem.inp (generated)

052643021.td-b3lyp_6-31+g(d).gjf (generated)

052643021.td-b3lyp_6-31+g(d).firefly.inp (generated)

052643021.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052643021.mol 052643021.PUBCHEM 052643021.mol (via Jmol)
052643457.b3lyp_6-31g(d).inp

052643457.b3lyp_6-31g(d).qchem.inp (generated)

052643457.b3lyp_6-31g(d).gjf (generated)

052643457.b3lyp_6-31g(d).firefly.inp (generated)

052643457.b3lyp_6-31g(d).smash.inp (generated)

052643457.b3lyp_6-31g(d).nwchem.inp (generated) 052643457.b3lyp_6-31g(d).log.xz 052643457.td-b3lyp_6-31g+(d).inp 052643457.td-b3lyp_6-31g+(d).log.xz

052643457.td-b3lyp_6-31+g(d).qchem.inp (generated)

052643457.td-b3lyp_6-31+g(d).gjf (generated)

052643457.td-b3lyp_6-31+g(d).firefly.inp (generated)

052643457.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052643457.mol 052643457.PUBCHEM 052643457.mol (via Jmol)
052643680.b3lyp_6-31g(d).inp

052643680.b3lyp_6-31g(d).qchem.inp (generated)

052643680.b3lyp_6-31g(d).gjf (generated)

052643680.b3lyp_6-31g(d).firefly.inp (generated)

052643680.b3lyp_6-31g(d).smash.inp (generated)

052643680.b3lyp_6-31g(d).nwchem.inp (generated) 052643680.b3lyp_6-31g(d).log.xz 052643680.td-b3lyp_6-31g+(d).inp 052643680.td-b3lyp_6-31g+(d).log.xz

052643680.td-b3lyp_6-31+g(d).qchem.inp (generated)

052643680.td-b3lyp_6-31+g(d).gjf (generated)

052643680.td-b3lyp_6-31+g(d).firefly.inp (generated)

052643680.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052643680.mol 052643680.PUBCHEM 052643680.mol (via Jmol)
052643694.b3lyp_6-31g(d).inp

052643694.b3lyp_6-31g(d).qchem.inp (generated)

052643694.b3lyp_6-31g(d).gjf (generated)

052643694.b3lyp_6-31g(d).firefly.inp (generated)

052643694.b3lyp_6-31g(d).smash.inp (generated)

052643694.b3lyp_6-31g(d).nwchem.inp (generated) 052643694.b3lyp_6-31g(d).log.xz 052643694.td-b3lyp_6-31g+(d).inp 052643694.td-b3lyp_6-31g+(d).log.xz

052643694.td-b3lyp_6-31+g(d).qchem.inp (generated)

052643694.td-b3lyp_6-31+g(d).gjf (generated)

052643694.td-b3lyp_6-31+g(d).firefly.inp (generated)

052643694.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052643694.mol 052643694.PUBCHEM 052643694.mol (via Jmol)
052643695.b3lyp_6-31g(d).inp

052643695.b3lyp_6-31g(d).qchem.inp (generated)

052643695.b3lyp_6-31g(d).gjf (generated)

052643695.b3lyp_6-31g(d).firefly.inp (generated)

052643695.b3lyp_6-31g(d).smash.inp (generated)

052643695.b3lyp_6-31g(d).nwchem.inp (generated) 052643695.b3lyp_6-31g(d).log.xz 052643695.td-b3lyp_6-31g+(d).inp 052643695.td-b3lyp_6-31g+(d).log.xz

052643695.td-b3lyp_6-31+g(d).qchem.inp (generated)

052643695.td-b3lyp_6-31+g(d).gjf (generated)

052643695.td-b3lyp_6-31+g(d).firefly.inp (generated)

052643695.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052643695.mol 052643695.PUBCHEM 052643695.mol (via Jmol)
052644090.b3lyp_6-31g(d).inp

052644090.b3lyp_6-31g(d).qchem.inp (generated)

052644090.b3lyp_6-31g(d).gjf (generated)

052644090.b3lyp_6-31g(d).firefly.inp (generated)

052644090.b3lyp_6-31g(d).smash.inp (generated)

052644090.b3lyp_6-31g(d).nwchem.inp (generated) 052644090.b3lyp_6-31g(d).log.xz 052644090.td-b3lyp_6-31g+(d).inp 052644090.td-b3lyp_6-31g+(d).log.xz

052644090.td-b3lyp_6-31+g(d).qchem.inp (generated)

052644090.td-b3lyp_6-31+g(d).gjf (generated)

052644090.td-b3lyp_6-31+g(d).firefly.inp (generated)

052644090.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052644090.mol 052644090.PUBCHEM 052644090.mol (via Jmol)
052644091.b3lyp_6-31g(d).inp

052644091.b3lyp_6-31g(d).qchem.inp (generated)

052644091.b3lyp_6-31g(d).gjf (generated)

052644091.b3lyp_6-31g(d).firefly.inp (generated)

052644091.b3lyp_6-31g(d).smash.inp (generated)

052644091.b3lyp_6-31g(d).nwchem.inp (generated) 052644091.b3lyp_6-31g(d).log.xz 052644091.td-b3lyp_6-31g+(d).inp 052644091.td-b3lyp_6-31g+(d).log.xz

052644091.td-b3lyp_6-31+g(d).qchem.inp (generated)

052644091.td-b3lyp_6-31+g(d).gjf (generated)

052644091.td-b3lyp_6-31+g(d).firefly.inp (generated)

052644091.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052644091.mol 052644091.PUBCHEM 052644091.mol (via Jmol)
052644099.b3lyp_6-31g(d).inp

052644099.b3lyp_6-31g(d).qchem.inp (generated)

052644099.b3lyp_6-31g(d).gjf (generated)

052644099.b3lyp_6-31g(d).firefly.inp (generated)

052644099.b3lyp_6-31g(d).smash.inp (generated)

052644099.b3lyp_6-31g(d).nwchem.inp (generated) 052644099.b3lyp_6-31g(d).log.xz 052644099.td-b3lyp_6-31g+(d).inp 052644099.td-b3lyp_6-31g+(d).log.xz

052644099.td-b3lyp_6-31+g(d).qchem.inp (generated)

052644099.td-b3lyp_6-31+g(d).gjf (generated)

052644099.td-b3lyp_6-31+g(d).firefly.inp (generated)

052644099.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052644099.mol 052644099.PUBCHEM 052644099.mol (via Jmol)
052644100.b3lyp_6-31g(d).inp

052644100.b3lyp_6-31g(d).qchem.inp (generated)

052644100.b3lyp_6-31g(d).gjf (generated)

052644100.b3lyp_6-31g(d).firefly.inp (generated)

052644100.b3lyp_6-31g(d).smash.inp (generated)

052644100.b3lyp_6-31g(d).nwchem.inp (generated) 052644100.b3lyp_6-31g(d).log.xz 052644100.td-b3lyp_6-31g+(d).inp 052644100.td-b3lyp_6-31g+(d).log.xz

052644100.td-b3lyp_6-31+g(d).qchem.inp (generated)

052644100.td-b3lyp_6-31+g(d).gjf (generated)

052644100.td-b3lyp_6-31+g(d).firefly.inp (generated)

052644100.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052644100.mol 052644100.PUBCHEM 052644100.mol (via Jmol)
052644103.b3lyp_6-31g(d).inp

052644103.b3lyp_6-31g(d).qchem.inp (generated)

052644103.b3lyp_6-31g(d).gjf (generated)

052644103.b3lyp_6-31g(d).firefly.inp (generated)

052644103.b3lyp_6-31g(d).smash.inp (generated)

052644103.b3lyp_6-31g(d).nwchem.inp (generated) 052644103.b3lyp_6-31g(d).log.xz 052644103.td-b3lyp_6-31g+(d).inp 052644103.td-b3lyp_6-31g+(d).log.xz

052644103.td-b3lyp_6-31+g(d).qchem.inp (generated)

052644103.td-b3lyp_6-31+g(d).gjf (generated)

052644103.td-b3lyp_6-31+g(d).firefly.inp (generated)

052644103.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052644103.mol 052644103.PUBCHEM 052644103.mol (via Jmol)
052644104.b3lyp_6-31g(d).inp

052644104.b3lyp_6-31g(d).qchem.inp (generated)

052644104.b3lyp_6-31g(d).gjf (generated)

052644104.b3lyp_6-31g(d).firefly.inp (generated)

052644104.b3lyp_6-31g(d).smash.inp (generated)

052644104.b3lyp_6-31g(d).nwchem.inp (generated) 052644104.b3lyp_6-31g(d).log.xz 052644104.td-b3lyp_6-31g+(d).inp 052644104.td-b3lyp_6-31g+(d).log.xz

052644104.td-b3lyp_6-31+g(d).qchem.inp (generated)

052644104.td-b3lyp_6-31+g(d).gjf (generated)

052644104.td-b3lyp_6-31+g(d).firefly.inp (generated)

052644104.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052644104.mol 052644104.PUBCHEM 052644104.mol (via Jmol)
052644106.b3lyp_6-31g(d).inp

052644106.b3lyp_6-31g(d).qchem.inp (generated)

052644106.b3lyp_6-31g(d).gjf (generated)

052644106.b3lyp_6-31g(d).firefly.inp (generated)

052644106.b3lyp_6-31g(d).smash.inp (generated)

052644106.b3lyp_6-31g(d).nwchem.inp (generated) 052644106.b3lyp_6-31g(d).log.xz 052644106.td-b3lyp_6-31g+(d).inp 052644106.td-b3lyp_6-31g+(d).log.xz

052644106.td-b3lyp_6-31+g(d).qchem.inp (generated)

052644106.td-b3lyp_6-31+g(d).gjf (generated)

052644106.td-b3lyp_6-31+g(d).firefly.inp (generated)

052644106.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052644106.mol 052644106.PUBCHEM 052644106.mol (via Jmol)
052644107.b3lyp_6-31g(d).inp

052644107.b3lyp_6-31g(d).qchem.inp (generated)

052644107.b3lyp_6-31g(d).gjf (generated)

052644107.b3lyp_6-31g(d).firefly.inp (generated)

052644107.b3lyp_6-31g(d).smash.inp (generated)

052644107.b3lyp_6-31g(d).nwchem.inp (generated) 052644107.b3lyp_6-31g(d).log.xz 052644107.td-b3lyp_6-31g+(d).inp 052644107.td-b3lyp_6-31g+(d).log.xz

052644107.td-b3lyp_6-31+g(d).qchem.inp (generated)

052644107.td-b3lyp_6-31+g(d).gjf (generated)

052644107.td-b3lyp_6-31+g(d).firefly.inp (generated)

052644107.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052644107.mol 052644107.PUBCHEM 052644107.mol (via Jmol)
052644109.b3lyp_6-31g(d).inp

052644109.b3lyp_6-31g(d).qchem.inp (generated)

052644109.b3lyp_6-31g(d).gjf (generated)

052644109.b3lyp_6-31g(d).firefly.inp (generated)

052644109.b3lyp_6-31g(d).smash.inp (generated)

052644109.b3lyp_6-31g(d).nwchem.inp (generated) 052644109.b3lyp_6-31g(d).log.xz 052644109.td-b3lyp_6-31g+(d).inp 052644109.td-b3lyp_6-31g+(d).log.xz

052644109.td-b3lyp_6-31+g(d).qchem.inp (generated)

052644109.td-b3lyp_6-31+g(d).gjf (generated)

052644109.td-b3lyp_6-31+g(d).firefly.inp (generated)

052644109.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052644109.mol 052644109.PUBCHEM 052644109.mol (via Jmol)
052644110.b3lyp_6-31g(d).inp

052644110.b3lyp_6-31g(d).qchem.inp (generated)

052644110.b3lyp_6-31g(d).gjf (generated)

052644110.b3lyp_6-31g(d).firefly.inp (generated)

052644110.b3lyp_6-31g(d).smash.inp (generated)

052644110.b3lyp_6-31g(d).nwchem.inp (generated) 052644110.b3lyp_6-31g(d).log.xz 052644110.td-b3lyp_6-31g+(d).inp 052644110.td-b3lyp_6-31g+(d).log.xz

052644110.td-b3lyp_6-31+g(d).qchem.inp (generated)

052644110.td-b3lyp_6-31+g(d).gjf (generated)

052644110.td-b3lyp_6-31+g(d).firefly.inp (generated)

052644110.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052644110.mol 052644110.PUBCHEM 052644110.mol (via Jmol)
052644114.b3lyp_6-31g(d).inp

052644114.b3lyp_6-31g(d).qchem.inp (generated)

052644114.b3lyp_6-31g(d).gjf (generated)

052644114.b3lyp_6-31g(d).firefly.inp (generated)

052644114.b3lyp_6-31g(d).smash.inp (generated)

052644114.b3lyp_6-31g(d).nwchem.inp (generated) 052644114.b3lyp_6-31g(d).log.xz 052644114.td-b3lyp_6-31g+(d).inp 052644114.td-b3lyp_6-31g+(d).log.xz

052644114.td-b3lyp_6-31+g(d).qchem.inp (generated)

052644114.td-b3lyp_6-31+g(d).gjf (generated)

052644114.td-b3lyp_6-31+g(d).firefly.inp (generated)

052644114.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052644114.mol 052644114.PUBCHEM 052644114.mol (via Jmol)
052644115.b3lyp_6-31g(d).inp

052644115.b3lyp_6-31g(d).qchem.inp (generated)

052644115.b3lyp_6-31g(d).gjf (generated)

052644115.b3lyp_6-31g(d).firefly.inp (generated)

052644115.b3lyp_6-31g(d).smash.inp (generated)

052644115.b3lyp_6-31g(d).nwchem.inp (generated) 052644115.b3lyp_6-31g(d).log.xz 052644115.td-b3lyp_6-31g+(d).inp 052644115.td-b3lyp_6-31g+(d).log.xz

052644115.td-b3lyp_6-31+g(d).qchem.inp (generated)

052644115.td-b3lyp_6-31+g(d).gjf (generated)

052644115.td-b3lyp_6-31+g(d).firefly.inp (generated)

052644115.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052644115.mol 052644115.PUBCHEM 052644115.mol (via Jmol)
052644116.b3lyp_6-31g(d).inp

052644116.b3lyp_6-31g(d).qchem.inp (generated)

052644116.b3lyp_6-31g(d).gjf (generated)

052644116.b3lyp_6-31g(d).firefly.inp (generated)

052644116.b3lyp_6-31g(d).smash.inp (generated)

052644116.b3lyp_6-31g(d).nwchem.inp (generated) 052644116.b3lyp_6-31g(d).log.xz 052644116.td-b3lyp_6-31g+(d).inp 052644116.td-b3lyp_6-31g+(d).log.xz

052644116.td-b3lyp_6-31+g(d).qchem.inp (generated)

052644116.td-b3lyp_6-31+g(d).gjf (generated)

052644116.td-b3lyp_6-31+g(d).firefly.inp (generated)

052644116.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052644116.mol 052644116.PUBCHEM 052644116.mol (via Jmol)
052644117.b3lyp_6-31g(d).inp

052644117.b3lyp_6-31g(d).qchem.inp (generated)

052644117.b3lyp_6-31g(d).gjf (generated)

052644117.b3lyp_6-31g(d).firefly.inp (generated)

052644117.b3lyp_6-31g(d).smash.inp (generated)

052644117.b3lyp_6-31g(d).nwchem.inp (generated) 052644117.b3lyp_6-31g(d).log.xz 052644117.td-b3lyp_6-31g+(d).inp 052644117.td-b3lyp_6-31g+(d).log.xz

052644117.td-b3lyp_6-31+g(d).qchem.inp (generated)

052644117.td-b3lyp_6-31+g(d).gjf (generated)

052644117.td-b3lyp_6-31+g(d).firefly.inp (generated)

052644117.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052644117.mol 052644117.PUBCHEM 052644117.mol (via Jmol)
052644120.b3lyp_6-31g(d).inp

052644120.b3lyp_6-31g(d).qchem.inp (generated)

052644120.b3lyp_6-31g(d).gjf (generated)

052644120.b3lyp_6-31g(d).firefly.inp (generated)

052644120.b3lyp_6-31g(d).smash.inp (generated)

052644120.b3lyp_6-31g(d).nwchem.inp (generated) 052644120.b3lyp_6-31g(d).log.xz 052644120.td-b3lyp_6-31g+(d).inp 052644120.td-b3lyp_6-31g+(d).log.xz

052644120.td-b3lyp_6-31+g(d).qchem.inp (generated)

052644120.td-b3lyp_6-31+g(d).gjf (generated)

052644120.td-b3lyp_6-31+g(d).firefly.inp (generated)

052644120.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052644120.mol 052644120.PUBCHEM 052644120.mol (via Jmol)
052644121.b3lyp_6-31g(d).inp

052644121.b3lyp_6-31g(d).qchem.inp (generated)

052644121.b3lyp_6-31g(d).gjf (generated)

052644121.b3lyp_6-31g(d).firefly.inp (generated)

052644121.b3lyp_6-31g(d).smash.inp (generated)

052644121.b3lyp_6-31g(d).nwchem.inp (generated) 052644121.b3lyp_6-31g(d).log.xz 052644121.td-b3lyp_6-31g+(d).inp 052644121.td-b3lyp_6-31g+(d).log.xz

052644121.td-b3lyp_6-31+g(d).qchem.inp (generated)

052644121.td-b3lyp_6-31+g(d).gjf (generated)

052644121.td-b3lyp_6-31+g(d).firefly.inp (generated)

052644121.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052644121.mol 052644121.PUBCHEM 052644121.mol (via Jmol)
052644125.b3lyp_6-31g(d).inp

052644125.b3lyp_6-31g(d).qchem.inp (generated)

052644125.b3lyp_6-31g(d).gjf (generated)

052644125.b3lyp_6-31g(d).firefly.inp (generated)

052644125.b3lyp_6-31g(d).smash.inp (generated)

052644125.b3lyp_6-31g(d).nwchem.inp (generated) 052644125.b3lyp_6-31g(d).log.xz 052644125.td-b3lyp_6-31g+(d).inp 052644125.td-b3lyp_6-31g+(d).log.xz

052644125.td-b3lyp_6-31+g(d).qchem.inp (generated)

052644125.td-b3lyp_6-31+g(d).gjf (generated)

052644125.td-b3lyp_6-31+g(d).firefly.inp (generated)

052644125.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052644125.mol 052644125.PUBCHEM 052644125.mol (via Jmol)
052644126.b3lyp_6-31g(d).inp

052644126.b3lyp_6-31g(d).qchem.inp (generated)

052644126.b3lyp_6-31g(d).gjf (generated)

052644126.b3lyp_6-31g(d).firefly.inp (generated)

052644126.b3lyp_6-31g(d).smash.inp (generated)

052644126.b3lyp_6-31g(d).nwchem.inp (generated) 052644126.b3lyp_6-31g(d).log.xz 052644126.td-b3lyp_6-31g+(d).inp 052644126.td-b3lyp_6-31g+(d).log.xz

052644126.td-b3lyp_6-31+g(d).qchem.inp (generated)

052644126.td-b3lyp_6-31+g(d).gjf (generated)

052644126.td-b3lyp_6-31+g(d).firefly.inp (generated)

052644126.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052644126.mol 052644126.PUBCHEM 052644126.mol (via Jmol)
052644128.b3lyp_6-31g(d).inp

052644128.b3lyp_6-31g(d).qchem.inp (generated)

052644128.b3lyp_6-31g(d).gjf (generated)

052644128.b3lyp_6-31g(d).firefly.inp (generated)

052644128.b3lyp_6-31g(d).smash.inp (generated)

052644128.b3lyp_6-31g(d).nwchem.inp (generated) 052644128.b3lyp_6-31g(d).log.xz 052644128.td-b3lyp_6-31g+(d).inp 052644128.td-b3lyp_6-31g+(d).log.xz

052644128.td-b3lyp_6-31+g(d).qchem.inp (generated)

052644128.td-b3lyp_6-31+g(d).gjf (generated)

052644128.td-b3lyp_6-31+g(d).firefly.inp (generated)

052644128.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052644128.mol 052644128.PUBCHEM 052644128.mol (via Jmol)
052644129.b3lyp_6-31g(d).inp

052644129.b3lyp_6-31g(d).qchem.inp (generated)

052644129.b3lyp_6-31g(d).gjf (generated)

052644129.b3lyp_6-31g(d).firefly.inp (generated)

052644129.b3lyp_6-31g(d).smash.inp (generated)

052644129.b3lyp_6-31g(d).nwchem.inp (generated) 052644129.b3lyp_6-31g(d).log.xz 052644129.td-b3lyp_6-31g+(d).inp 052644129.td-b3lyp_6-31g+(d).log.xz

052644129.td-b3lyp_6-31+g(d).qchem.inp (generated)

052644129.td-b3lyp_6-31+g(d).gjf (generated)

052644129.td-b3lyp_6-31+g(d).firefly.inp (generated)

052644129.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052644129.mol 052644129.PUBCHEM 052644129.mol (via Jmol)
052644132.b3lyp_6-31g(d).inp

052644132.b3lyp_6-31g(d).qchem.inp (generated)

052644132.b3lyp_6-31g(d).gjf (generated)

052644132.b3lyp_6-31g(d).firefly.inp (generated)

052644132.b3lyp_6-31g(d).smash.inp (generated)

052644132.b3lyp_6-31g(d).nwchem.inp (generated) 052644132.b3lyp_6-31g(d).log.xz 052644132.td-b3lyp_6-31g+(d).inp 052644132.td-b3lyp_6-31g+(d).log.xz

052644132.td-b3lyp_6-31+g(d).qchem.inp (generated)

052644132.td-b3lyp_6-31+g(d).gjf (generated)

052644132.td-b3lyp_6-31+g(d).firefly.inp (generated)

052644132.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052644132.mol 052644132.PUBCHEM 052644132.mol (via Jmol)
052644133.b3lyp_6-31g(d).inp

052644133.b3lyp_6-31g(d).qchem.inp (generated)

052644133.b3lyp_6-31g(d).gjf (generated)

052644133.b3lyp_6-31g(d).firefly.inp (generated)

052644133.b3lyp_6-31g(d).smash.inp (generated)

052644133.b3lyp_6-31g(d).nwchem.inp (generated) 052644133.b3lyp_6-31g(d).log.xz 052644133.td-b3lyp_6-31g+(d).inp 052644133.td-b3lyp_6-31g+(d).log.xz

052644133.td-b3lyp_6-31+g(d).qchem.inp (generated)

052644133.td-b3lyp_6-31+g(d).gjf (generated)

052644133.td-b3lyp_6-31+g(d).firefly.inp (generated)

052644133.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052644133.mol 052644133.PUBCHEM 052644133.mol (via Jmol)
052644135.b3lyp_6-31g(d).inp

052644135.b3lyp_6-31g(d).qchem.inp (generated)

052644135.b3lyp_6-31g(d).gjf (generated)

052644135.b3lyp_6-31g(d).firefly.inp (generated)

052644135.b3lyp_6-31g(d).smash.inp (generated)

052644135.b3lyp_6-31g(d).nwchem.inp (generated) 052644135.b3lyp_6-31g(d).log.xz 052644135.td-b3lyp_6-31g+(d).inp 052644135.td-b3lyp_6-31g+(d).log.xz

052644135.td-b3lyp_6-31+g(d).qchem.inp (generated)

052644135.td-b3lyp_6-31+g(d).gjf (generated)

052644135.td-b3lyp_6-31+g(d).firefly.inp (generated)

052644135.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052644135.mol 052644135.PUBCHEM 052644135.mol (via Jmol)
052644136.b3lyp_6-31g(d).inp

052644136.b3lyp_6-31g(d).qchem.inp (generated)

052644136.b3lyp_6-31g(d).gjf (generated)

052644136.b3lyp_6-31g(d).firefly.inp (generated)

052644136.b3lyp_6-31g(d).smash.inp (generated)

052644136.b3lyp_6-31g(d).nwchem.inp (generated) 052644136.b3lyp_6-31g(d).log.xz 052644136.td-b3lyp_6-31g+(d).inp 052644136.td-b3lyp_6-31g+(d).log.xz

052644136.td-b3lyp_6-31+g(d).qchem.inp (generated)

052644136.td-b3lyp_6-31+g(d).gjf (generated)

052644136.td-b3lyp_6-31+g(d).firefly.inp (generated)

052644136.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052644136.mol 052644136.PUBCHEM 052644136.mol (via Jmol)
052644138.b3lyp_6-31g(d).inp

052644138.b3lyp_6-31g(d).qchem.inp (generated)

052644138.b3lyp_6-31g(d).gjf (generated)

052644138.b3lyp_6-31g(d).firefly.inp (generated)

052644138.b3lyp_6-31g(d).smash.inp (generated)

052644138.b3lyp_6-31g(d).nwchem.inp (generated) 052644138.b3lyp_6-31g(d).log.xz 052644138.mol 052644138.PUBCHEM 052644138.mol (via Jmol)
052644139.b3lyp_6-31g(d).inp

052644139.b3lyp_6-31g(d).qchem.inp (generated)

052644139.b3lyp_6-31g(d).gjf (generated)

052644139.b3lyp_6-31g(d).firefly.inp (generated)

052644139.b3lyp_6-31g(d).smash.inp (generated)

052644139.b3lyp_6-31g(d).nwchem.inp (generated) 052644139.b3lyp_6-31g(d).log.xz 052644139.td-b3lyp_6-31g+(d).inp 052644139.td-b3lyp_6-31g+(d).log.xz

052644139.td-b3lyp_6-31+g(d).qchem.inp (generated)

052644139.td-b3lyp_6-31+g(d).gjf (generated)

052644139.td-b3lyp_6-31+g(d).firefly.inp (generated)

052644139.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052644139.mol 052644139.PUBCHEM 052644139.mol (via Jmol)
052644141.b3lyp_6-31g(d).inp

052644141.b3lyp_6-31g(d).qchem.inp (generated)

052644141.b3lyp_6-31g(d).gjf (generated)

052644141.b3lyp_6-31g(d).firefly.inp (generated)

052644141.b3lyp_6-31g(d).smash.inp (generated)

052644141.b3lyp_6-31g(d).nwchem.inp (generated) 052644141.b3lyp_6-31g(d).log.xz 052644141.mol 052644141.PUBCHEM 052644141.mol (via Jmol)
052644142.b3lyp_6-31g(d).inp

052644142.b3lyp_6-31g(d).qchem.inp (generated)

052644142.b3lyp_6-31g(d).gjf (generated)

052644142.b3lyp_6-31g(d).firefly.inp (generated)

052644142.b3lyp_6-31g(d).smash.inp (generated)

052644142.b3lyp_6-31g(d).nwchem.inp (generated) 052644142.b3lyp_6-31g(d).log.xz 052644142.td-b3lyp_6-31g+(d).inp 052644142.td-b3lyp_6-31g+(d).log.xz

052644142.td-b3lyp_6-31+g(d).qchem.inp (generated)

052644142.td-b3lyp_6-31+g(d).gjf (generated)

052644142.td-b3lyp_6-31+g(d).firefly.inp (generated)

052644142.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052644142.mol 052644142.PUBCHEM 052644142.mol (via Jmol)
052644143.b3lyp_6-31g(d).inp

052644143.b3lyp_6-31g(d).qchem.inp (generated)

052644143.b3lyp_6-31g(d).gjf (generated)

052644143.b3lyp_6-31g(d).firefly.inp (generated)

052644143.b3lyp_6-31g(d).smash.inp (generated)

052644143.b3lyp_6-31g(d).nwchem.inp (generated) 052644143.b3lyp_6-31g(d).log.xz 052644143.td-b3lyp_6-31g+(d).inp 052644143.td-b3lyp_6-31g+(d).log.xz

052644143.td-b3lyp_6-31+g(d).qchem.inp (generated)

052644143.td-b3lyp_6-31+g(d).gjf (generated)

052644143.td-b3lyp_6-31+g(d).firefly.inp (generated)

052644143.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052644143.mol 052644143.PUBCHEM 052644143.mol (via Jmol)
052644144.b3lyp_6-31g(d).inp

052644144.b3lyp_6-31g(d).qchem.inp (generated)

052644144.b3lyp_6-31g(d).gjf (generated)

052644144.b3lyp_6-31g(d).firefly.inp (generated)

052644144.b3lyp_6-31g(d).smash.inp (generated)

052644144.b3lyp_6-31g(d).nwchem.inp (generated) 052644144.b3lyp_6-31g(d).log.xz 052644144.td-b3lyp_6-31g+(d).inp 052644144.td-b3lyp_6-31g+(d).log.xz

052644144.td-b3lyp_6-31+g(d).qchem.inp (generated)

052644144.td-b3lyp_6-31+g(d).gjf (generated)

052644144.td-b3lyp_6-31+g(d).firefly.inp (generated)

052644144.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052644144.mol 052644144.PUBCHEM 052644144.mol (via Jmol)
052644145.b3lyp_6-31g(d).inp

052644145.b3lyp_6-31g(d).qchem.inp (generated)

052644145.b3lyp_6-31g(d).gjf (generated)

052644145.b3lyp_6-31g(d).firefly.inp (generated)

052644145.b3lyp_6-31g(d).smash.inp (generated)

052644145.b3lyp_6-31g(d).nwchem.inp (generated) 052644145.b3lyp_6-31g(d).log.xz 052644145.td-b3lyp_6-31g+(d).inp 052644145.td-b3lyp_6-31g+(d).log.xz

052644145.td-b3lyp_6-31+g(d).qchem.inp (generated)

052644145.td-b3lyp_6-31+g(d).gjf (generated)

052644145.td-b3lyp_6-31+g(d).firefly.inp (generated)

052644145.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052644145.mol 052644145.PUBCHEM 052644145.mol (via Jmol)
052644146.b3lyp_6-31g(d).inp

052644146.b3lyp_6-31g(d).qchem.inp (generated)

052644146.b3lyp_6-31g(d).gjf (generated)

052644146.b3lyp_6-31g(d).firefly.inp (generated)

052644146.b3lyp_6-31g(d).smash.inp (generated)

052644146.b3lyp_6-31g(d).nwchem.inp (generated) 052644146.b3lyp_6-31g(d).log.xz 052644146.td-b3lyp_6-31g+(d).inp 052644146.td-b3lyp_6-31g+(d).log.xz

052644146.td-b3lyp_6-31+g(d).qchem.inp (generated)

052644146.td-b3lyp_6-31+g(d).gjf (generated)

052644146.td-b3lyp_6-31+g(d).firefly.inp (generated)

052644146.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052644146.mol 052644146.PUBCHEM 052644146.mol (via Jmol)
052644147.b3lyp_6-31g(d).inp

052644147.b3lyp_6-31g(d).qchem.inp (generated)

052644147.b3lyp_6-31g(d).gjf (generated)

052644147.b3lyp_6-31g(d).firefly.inp (generated)

052644147.b3lyp_6-31g(d).smash.inp (generated)

052644147.b3lyp_6-31g(d).nwchem.inp (generated) 052644147.b3lyp_6-31g(d).log.xz 052644147.td-b3lyp_6-31g+(d).inp 052644147.td-b3lyp_6-31g+(d).log.xz

052644147.td-b3lyp_6-31+g(d).qchem.inp (generated)

052644147.td-b3lyp_6-31+g(d).gjf (generated)

052644147.td-b3lyp_6-31+g(d).firefly.inp (generated)

052644147.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052644147.mol 052644147.PUBCHEM 052644147.mol (via Jmol)
052644148.b3lyp_6-31g(d).inp

052644148.b3lyp_6-31g(d).qchem.inp (generated)

052644148.b3lyp_6-31g(d).gjf (generated)

052644148.b3lyp_6-31g(d).firefly.inp (generated)

052644148.b3lyp_6-31g(d).smash.inp (generated)

052644148.b3lyp_6-31g(d).nwchem.inp (generated) 052644148.b3lyp_6-31g(d).log.xz 052644148.td-b3lyp_6-31g+(d).inp 052644148.td-b3lyp_6-31g+(d).log.xz

052644148.td-b3lyp_6-31+g(d).qchem.inp (generated)

052644148.td-b3lyp_6-31+g(d).gjf (generated)

052644148.td-b3lyp_6-31+g(d).firefly.inp (generated)

052644148.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052644148.mol 052644148.PUBCHEM 052644148.mol (via Jmol)
052644149.b3lyp_6-31g(d).inp

052644149.b3lyp_6-31g(d).qchem.inp (generated)

052644149.b3lyp_6-31g(d).gjf (generated)

052644149.b3lyp_6-31g(d).firefly.inp (generated)

052644149.b3lyp_6-31g(d).smash.inp (generated)

052644149.b3lyp_6-31g(d).nwchem.inp (generated) 052644149.b3lyp_6-31g(d).log.xz 052644149.td-b3lyp_6-31g+(d).inp 052644149.td-b3lyp_6-31g+(d).log.xz

052644149.td-b3lyp_6-31+g(d).qchem.inp (generated)

052644149.td-b3lyp_6-31+g(d).gjf (generated)

052644149.td-b3lyp_6-31+g(d).firefly.inp (generated)

052644149.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052644149.mol 052644149.PUBCHEM 052644149.mol (via Jmol)
052644150.b3lyp_6-31g(d).inp

052644150.b3lyp_6-31g(d).qchem.inp (generated)

052644150.b3lyp_6-31g(d).gjf (generated)

052644150.b3lyp_6-31g(d).firefly.inp (generated)

052644150.b3lyp_6-31g(d).smash.inp (generated)

052644150.b3lyp_6-31g(d).nwchem.inp (generated) 052644150.b3lyp_6-31g(d).log.xz 052644150.td-b3lyp_6-31g+(d).inp 052644150.td-b3lyp_6-31g+(d).log.xz

052644150.td-b3lyp_6-31+g(d).qchem.inp (generated)

052644150.td-b3lyp_6-31+g(d).gjf (generated)

052644150.td-b3lyp_6-31+g(d).firefly.inp (generated)

052644150.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052644150.mol 052644150.PUBCHEM 052644150.mol (via Jmol)
052644151.b3lyp_6-31g(d).inp

052644151.b3lyp_6-31g(d).qchem.inp (generated)

052644151.b3lyp_6-31g(d).gjf (generated)

052644151.b3lyp_6-31g(d).firefly.inp (generated)

052644151.b3lyp_6-31g(d).smash.inp (generated)

052644151.b3lyp_6-31g(d).nwchem.inp (generated) 052644151.b3lyp_6-31g(d).log.xz 052644151.td-b3lyp_6-31g+(d).inp 052644151.td-b3lyp_6-31g+(d).log.xz

052644151.td-b3lyp_6-31+g(d).qchem.inp (generated)

052644151.td-b3lyp_6-31+g(d).gjf (generated)

052644151.td-b3lyp_6-31+g(d).firefly.inp (generated)

052644151.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052644151.mol 052644151.PUBCHEM 052644151.mol (via Jmol)
052644152.b3lyp_6-31g(d).inp

052644152.b3lyp_6-31g(d).qchem.inp (generated)

052644152.b3lyp_6-31g(d).gjf (generated)

052644152.b3lyp_6-31g(d).firefly.inp (generated)

052644152.b3lyp_6-31g(d).smash.inp (generated)

052644152.b3lyp_6-31g(d).nwchem.inp (generated) 052644152.b3lyp_6-31g(d).log.xz 052644152.td-b3lyp_6-31g+(d).inp 052644152.td-b3lyp_6-31g+(d).log.xz

052644152.td-b3lyp_6-31+g(d).qchem.inp (generated)

052644152.td-b3lyp_6-31+g(d).gjf (generated)

052644152.td-b3lyp_6-31+g(d).firefly.inp (generated)

052644152.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052644152.mol 052644152.PUBCHEM 052644152.mol (via Jmol)
052644153.b3lyp_6-31g(d).inp

052644153.b3lyp_6-31g(d).qchem.inp (generated)

052644153.b3lyp_6-31g(d).gjf (generated)

052644153.b3lyp_6-31g(d).firefly.inp (generated)

052644153.b3lyp_6-31g(d).smash.inp (generated)

052644153.b3lyp_6-31g(d).nwchem.inp (generated) 052644153.b3lyp_6-31g(d).log.xz 052644153.td-b3lyp_6-31g+(d).inp 052644153.td-b3lyp_6-31g+(d).log.xz

052644153.td-b3lyp_6-31+g(d).qchem.inp (generated)

052644153.td-b3lyp_6-31+g(d).gjf (generated)

052644153.td-b3lyp_6-31+g(d).firefly.inp (generated)

052644153.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052644153.mol 052644153.PUBCHEM 052644153.mol (via Jmol)
052644156.b3lyp_6-31g(d).inp

052644156.b3lyp_6-31g(d).qchem.inp (generated)

052644156.b3lyp_6-31g(d).gjf (generated)

052644156.b3lyp_6-31g(d).firefly.inp (generated)

052644156.b3lyp_6-31g(d).smash.inp (generated)

052644156.b3lyp_6-31g(d).nwchem.inp (generated) 052644156.b3lyp_6-31g(d).log.xz 052644156.td-b3lyp_6-31g+(d).inp 052644156.td-b3lyp_6-31g+(d).log.xz

052644156.td-b3lyp_6-31+g(d).qchem.inp (generated)

052644156.td-b3lyp_6-31+g(d).gjf (generated)

052644156.td-b3lyp_6-31+g(d).firefly.inp (generated)

052644156.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052644156.mol 052644156.PUBCHEM 052644156.mol (via Jmol)
052644157.b3lyp_6-31g(d).inp

052644157.b3lyp_6-31g(d).qchem.inp (generated)

052644157.b3lyp_6-31g(d).gjf (generated)

052644157.b3lyp_6-31g(d).firefly.inp (generated)

052644157.b3lyp_6-31g(d).smash.inp (generated)

052644157.b3lyp_6-31g(d).nwchem.inp (generated) 052644157.b3lyp_6-31g(d).log.xz 052644157.td-b3lyp_6-31g+(d).inp 052644157.td-b3lyp_6-31g+(d).log.xz

052644157.td-b3lyp_6-31+g(d).qchem.inp (generated)

052644157.td-b3lyp_6-31+g(d).gjf (generated)

052644157.td-b3lyp_6-31+g(d).firefly.inp (generated)

052644157.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052644157.mol 052644157.PUBCHEM 052644157.mol (via Jmol)
052644158.b3lyp_6-31g(d).inp

052644158.b3lyp_6-31g(d).qchem.inp (generated)

052644158.b3lyp_6-31g(d).gjf (generated)

052644158.b3lyp_6-31g(d).firefly.inp (generated)

052644158.b3lyp_6-31g(d).smash.inp (generated)

052644158.b3lyp_6-31g(d).nwchem.inp (generated) 052644158.b3lyp_6-31g(d).log.xz 052644158.td-b3lyp_6-31g+(d).inp 052644158.td-b3lyp_6-31g+(d).log.xz

052644158.td-b3lyp_6-31+g(d).qchem.inp (generated)

052644158.td-b3lyp_6-31+g(d).gjf (generated)

052644158.td-b3lyp_6-31+g(d).firefly.inp (generated)

052644158.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052644158.mol 052644158.PUBCHEM 052644158.mol (via Jmol)
052644159.b3lyp_6-31g(d).inp

052644159.b3lyp_6-31g(d).qchem.inp (generated)

052644159.b3lyp_6-31g(d).gjf (generated)

052644159.b3lyp_6-31g(d).firefly.inp (generated)

052644159.b3lyp_6-31g(d).smash.inp (generated)

052644159.b3lyp_6-31g(d).nwchem.inp (generated) 052644159.b3lyp_6-31g(d).log.xz 052644159.td-b3lyp_6-31g+(d).inp 052644159.td-b3lyp_6-31g+(d).log.xz

052644159.td-b3lyp_6-31+g(d).qchem.inp (generated)

052644159.td-b3lyp_6-31+g(d).gjf (generated)

052644159.td-b3lyp_6-31+g(d).firefly.inp (generated)

052644159.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052644159.mol 052644159.PUBCHEM 052644159.mol (via Jmol)
052644160.b3lyp_6-31g(d).inp

052644160.b3lyp_6-31g(d).qchem.inp (generated)

052644160.b3lyp_6-31g(d).gjf (generated)

052644160.b3lyp_6-31g(d).firefly.inp (generated)

052644160.b3lyp_6-31g(d).smash.inp (generated)

052644160.b3lyp_6-31g(d).nwchem.inp (generated) 052644160.b3lyp_6-31g(d).log.xz 052644160.td-b3lyp_6-31g+(d).inp 052644160.td-b3lyp_6-31g+(d).log.xz

052644160.td-b3lyp_6-31+g(d).qchem.inp (generated)

052644160.td-b3lyp_6-31+g(d).gjf (generated)

052644160.td-b3lyp_6-31+g(d).firefly.inp (generated)

052644160.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052644160.mol 052644160.PUBCHEM 052644160.mol (via Jmol)
052644162.b3lyp_6-31g(d).inp

052644162.b3lyp_6-31g(d).qchem.inp (generated)

052644162.b3lyp_6-31g(d).gjf (generated)

052644162.b3lyp_6-31g(d).firefly.inp (generated)

052644162.b3lyp_6-31g(d).smash.inp (generated)

052644162.b3lyp_6-31g(d).nwchem.inp (generated) 052644162.b3lyp_6-31g(d).log.xz 052644162.td-b3lyp_6-31g+(d).inp 052644162.td-b3lyp_6-31g+(d).log.xz

052644162.td-b3lyp_6-31+g(d).qchem.inp (generated)

052644162.td-b3lyp_6-31+g(d).gjf (generated)

052644162.td-b3lyp_6-31+g(d).firefly.inp (generated)

052644162.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052644162.mol 052644162.PUBCHEM 052644162.mol (via Jmol)
052644163.b3lyp_6-31g(d).inp

052644163.b3lyp_6-31g(d).qchem.inp (generated)

052644163.b3lyp_6-31g(d).gjf (generated)

052644163.b3lyp_6-31g(d).firefly.inp (generated)

052644163.b3lyp_6-31g(d).smash.inp (generated)

052644163.b3lyp_6-31g(d).nwchem.inp (generated) 052644163.b3lyp_6-31g(d).log.xz 052644163.td-b3lyp_6-31g+(d).inp 052644163.td-b3lyp_6-31g+(d).log.xz

052644163.td-b3lyp_6-31+g(d).qchem.inp (generated)

052644163.td-b3lyp_6-31+g(d).gjf (generated)

052644163.td-b3lyp_6-31+g(d).firefly.inp (generated)

052644163.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052644163.mol 052644163.PUBCHEM 052644163.mol (via Jmol)
052644165.b3lyp_6-31g(d).inp

052644165.b3lyp_6-31g(d).qchem.inp (generated)

052644165.b3lyp_6-31g(d).gjf (generated)

052644165.b3lyp_6-31g(d).firefly.inp (generated)

052644165.b3lyp_6-31g(d).smash.inp (generated)

052644165.b3lyp_6-31g(d).nwchem.inp (generated) 052644165.b3lyp_6-31g(d).log.xz 052644165.td-b3lyp_6-31g+(d).inp 052644165.td-b3lyp_6-31g+(d).log.xz

052644165.td-b3lyp_6-31+g(d).qchem.inp (generated)

052644165.td-b3lyp_6-31+g(d).gjf (generated)

052644165.td-b3lyp_6-31+g(d).firefly.inp (generated)

052644165.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052644165.mol 052644165.PUBCHEM 052644165.mol (via Jmol)
052644166.b3lyp_6-31g(d).inp

052644166.b3lyp_6-31g(d).qchem.inp (generated)

052644166.b3lyp_6-31g(d).gjf (generated)

052644166.b3lyp_6-31g(d).firefly.inp (generated)

052644166.b3lyp_6-31g(d).smash.inp (generated)

052644166.b3lyp_6-31g(d).nwchem.inp (generated) 052644166.b3lyp_6-31g(d).log.xz 052644166.td-b3lyp_6-31g+(d).inp 052644166.td-b3lyp_6-31g+(d).log.xz

052644166.td-b3lyp_6-31+g(d).qchem.inp (generated)

052644166.td-b3lyp_6-31+g(d).gjf (generated)

052644166.td-b3lyp_6-31+g(d).firefly.inp (generated)

052644166.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052644166.mol 052644166.PUBCHEM 052644166.mol (via Jmol)
052644167.b3lyp_6-31g(d).inp

052644167.b3lyp_6-31g(d).qchem.inp (generated)

052644167.b3lyp_6-31g(d).gjf (generated)

052644167.b3lyp_6-31g(d).firefly.inp (generated)

052644167.b3lyp_6-31g(d).smash.inp (generated)

052644167.b3lyp_6-31g(d).nwchem.inp (generated) 052644167.b3lyp_6-31g(d).log.xz 052644167.td-b3lyp_6-31g+(d).inp 052644167.td-b3lyp_6-31g+(d).log.xz

052644167.td-b3lyp_6-31+g(d).qchem.inp (generated)

052644167.td-b3lyp_6-31+g(d).gjf (generated)

052644167.td-b3lyp_6-31+g(d).firefly.inp (generated)

052644167.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052644167.mol 052644167.PUBCHEM 052644167.mol (via Jmol)
052644168.b3lyp_6-31g(d).inp

052644168.b3lyp_6-31g(d).qchem.inp (generated)

052644168.b3lyp_6-31g(d).gjf (generated)

052644168.b3lyp_6-31g(d).firefly.inp (generated)

052644168.b3lyp_6-31g(d).smash.inp (generated)

052644168.b3lyp_6-31g(d).nwchem.inp (generated) 052644168.b3lyp_6-31g(d).log.xz 052644168.td-b3lyp_6-31g+(d).inp 052644168.td-b3lyp_6-31g+(d).log.xz

052644168.td-b3lyp_6-31+g(d).qchem.inp (generated)

052644168.td-b3lyp_6-31+g(d).gjf (generated)

052644168.td-b3lyp_6-31+g(d).firefly.inp (generated)

052644168.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052644168.mol 052644168.PUBCHEM 052644168.mol (via Jmol)
052644169.b3lyp_6-31g(d).inp

052644169.b3lyp_6-31g(d).qchem.inp (generated)

052644169.b3lyp_6-31g(d).gjf (generated)

052644169.b3lyp_6-31g(d).firefly.inp (generated)

052644169.b3lyp_6-31g(d).smash.inp (generated)

052644169.b3lyp_6-31g(d).nwchem.inp (generated) 052644169.b3lyp_6-31g(d).log.xz 052644169.td-b3lyp_6-31g+(d).inp 052644169.td-b3lyp_6-31g+(d).log.xz

052644169.td-b3lyp_6-31+g(d).qchem.inp (generated)

052644169.td-b3lyp_6-31+g(d).gjf (generated)

052644169.td-b3lyp_6-31+g(d).firefly.inp (generated)

052644169.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052644169.mol 052644169.PUBCHEM 052644169.mol (via Jmol)
052644171.b3lyp_6-31g(d).inp

052644171.b3lyp_6-31g(d).qchem.inp (generated)

052644171.b3lyp_6-31g(d).gjf (generated)

052644171.b3lyp_6-31g(d).firefly.inp (generated)

052644171.b3lyp_6-31g(d).smash.inp (generated)

052644171.b3lyp_6-31g(d).nwchem.inp (generated) 052644171.b3lyp_6-31g(d).log.xz 052644171.td-b3lyp_6-31g+(d).inp 052644171.td-b3lyp_6-31g+(d).log.xz

052644171.td-b3lyp_6-31+g(d).qchem.inp (generated)

052644171.td-b3lyp_6-31+g(d).gjf (generated)

052644171.td-b3lyp_6-31+g(d).firefly.inp (generated)

052644171.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052644171.mol 052644171.PUBCHEM 052644171.mol (via Jmol)
052644172.b3lyp_6-31g(d).inp

052644172.b3lyp_6-31g(d).qchem.inp (generated)

052644172.b3lyp_6-31g(d).gjf (generated)

052644172.b3lyp_6-31g(d).firefly.inp (generated)

052644172.b3lyp_6-31g(d).smash.inp (generated)

052644172.b3lyp_6-31g(d).nwchem.inp (generated) 052644172.b3lyp_6-31g(d).log.xz 052644172.td-b3lyp_6-31g+(d).inp 052644172.td-b3lyp_6-31g+(d).log.xz

052644172.td-b3lyp_6-31+g(d).qchem.inp (generated)

052644172.td-b3lyp_6-31+g(d).gjf (generated)

052644172.td-b3lyp_6-31+g(d).firefly.inp (generated)

052644172.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052644172.mol 052644172.PUBCHEM 052644172.mol (via Jmol)
052644173.b3lyp_6-31g(d).inp

052644173.b3lyp_6-31g(d).qchem.inp (generated)

052644173.b3lyp_6-31g(d).gjf (generated)

052644173.b3lyp_6-31g(d).firefly.inp (generated)

052644173.b3lyp_6-31g(d).smash.inp (generated)

052644173.b3lyp_6-31g(d).nwchem.inp (generated) 052644173.b3lyp_6-31g(d).log.xz 052644173.td-b3lyp_6-31g+(d).inp 052644173.td-b3lyp_6-31g+(d).log.xz

052644173.td-b3lyp_6-31+g(d).qchem.inp (generated)

052644173.td-b3lyp_6-31+g(d).gjf (generated)

052644173.td-b3lyp_6-31+g(d).firefly.inp (generated)

052644173.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052644173.mol 052644173.PUBCHEM 052644173.mol (via Jmol)
052644174.b3lyp_6-31g(d).inp

052644174.b3lyp_6-31g(d).qchem.inp (generated)

052644174.b3lyp_6-31g(d).gjf (generated)

052644174.b3lyp_6-31g(d).firefly.inp (generated)

052644174.b3lyp_6-31g(d).smash.inp (generated)

052644174.b3lyp_6-31g(d).nwchem.inp (generated) 052644174.b3lyp_6-31g(d).log.xz 052644174.td-b3lyp_6-31g+(d).inp 052644174.td-b3lyp_6-31g+(d).log.xz

052644174.td-b3lyp_6-31+g(d).qchem.inp (generated)

052644174.td-b3lyp_6-31+g(d).gjf (generated)

052644174.td-b3lyp_6-31+g(d).firefly.inp (generated)

052644174.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052644174.mol 052644174.PUBCHEM 052644174.mol (via Jmol)
052644175.b3lyp_6-31g(d).inp

052644175.b3lyp_6-31g(d).qchem.inp (generated)

052644175.b3lyp_6-31g(d).gjf (generated)

052644175.b3lyp_6-31g(d).firefly.inp (generated)

052644175.b3lyp_6-31g(d).smash.inp (generated)

052644175.b3lyp_6-31g(d).nwchem.inp (generated) 052644175.b3lyp_6-31g(d).log.xz 052644175.td-b3lyp_6-31g+(d).inp 052644175.td-b3lyp_6-31g+(d).log.xz

052644175.td-b3lyp_6-31+g(d).qchem.inp (generated)

052644175.td-b3lyp_6-31+g(d).gjf (generated)

052644175.td-b3lyp_6-31+g(d).firefly.inp (generated)

052644175.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052644175.mol 052644175.PUBCHEM 052644175.mol (via Jmol)
052644176.b3lyp_6-31g(d).inp

052644176.b3lyp_6-31g(d).qchem.inp (generated)

052644176.b3lyp_6-31g(d).gjf (generated)

052644176.b3lyp_6-31g(d).firefly.inp (generated)

052644176.b3lyp_6-31g(d).smash.inp (generated)

052644176.b3lyp_6-31g(d).nwchem.inp (generated) 052644176.b3lyp_6-31g(d).log.xz 052644176.td-b3lyp_6-31g+(d).inp 052644176.td-b3lyp_6-31g+(d).log.xz

052644176.td-b3lyp_6-31+g(d).qchem.inp (generated)

052644176.td-b3lyp_6-31+g(d).gjf (generated)

052644176.td-b3lyp_6-31+g(d).firefly.inp (generated)

052644176.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052644176.mol 052644176.PUBCHEM 052644176.mol (via Jmol)
052644179.b3lyp_6-31g(d).inp

052644179.b3lyp_6-31g(d).qchem.inp (generated)

052644179.b3lyp_6-31g(d).gjf (generated)

052644179.b3lyp_6-31g(d).firefly.inp (generated)

052644179.b3lyp_6-31g(d).smash.inp (generated)

052644179.b3lyp_6-31g(d).nwchem.inp (generated) 052644179.b3lyp_6-31g(d).log.xz 052644179.td-b3lyp_6-31g+(d).inp 052644179.td-b3lyp_6-31g+(d).log.xz

052644179.td-b3lyp_6-31+g(d).qchem.inp (generated)

052644179.td-b3lyp_6-31+g(d).gjf (generated)

052644179.td-b3lyp_6-31+g(d).firefly.inp (generated)

052644179.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052644179.mol 052644179.PUBCHEM 052644179.mol (via Jmol)
052644180.b3lyp_6-31g(d).inp

052644180.b3lyp_6-31g(d).qchem.inp (generated)

052644180.b3lyp_6-31g(d).gjf (generated)

052644180.b3lyp_6-31g(d).firefly.inp (generated)

052644180.b3lyp_6-31g(d).smash.inp (generated)

052644180.b3lyp_6-31g(d).nwchem.inp (generated) 052644180.b3lyp_6-31g(d).log.xz 052644180.td-b3lyp_6-31g+(d).inp 052644180.td-b3lyp_6-31g+(d).log.xz

052644180.td-b3lyp_6-31+g(d).qchem.inp (generated)

052644180.td-b3lyp_6-31+g(d).gjf (generated)

052644180.td-b3lyp_6-31+g(d).firefly.inp (generated)

052644180.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052644180.mol 052644180.PUBCHEM 052644180.mol (via Jmol)
052644181.b3lyp_6-31g(d).inp

052644181.b3lyp_6-31g(d).qchem.inp (generated)

052644181.b3lyp_6-31g(d).gjf (generated)

052644181.b3lyp_6-31g(d).firefly.inp (generated)

052644181.b3lyp_6-31g(d).smash.inp (generated)

052644181.b3lyp_6-31g(d).nwchem.inp (generated) 052644181.b3lyp_6-31g(d).log.xz 052644181.td-b3lyp_6-31g+(d).inp 052644181.td-b3lyp_6-31g+(d).log.xz

052644181.td-b3lyp_6-31+g(d).qchem.inp (generated)

052644181.td-b3lyp_6-31+g(d).gjf (generated)

052644181.td-b3lyp_6-31+g(d).firefly.inp (generated)

052644181.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052644181.mol 052644181.PUBCHEM 052644181.mol (via Jmol)
052644182.b3lyp_6-31g(d).inp

052644182.b3lyp_6-31g(d).qchem.inp (generated)

052644182.b3lyp_6-31g(d).gjf (generated)

052644182.b3lyp_6-31g(d).firefly.inp (generated)

052644182.b3lyp_6-31g(d).smash.inp (generated)

052644182.b3lyp_6-31g(d).nwchem.inp (generated) 052644182.b3lyp_6-31g(d).log.xz 052644182.td-b3lyp_6-31g+(d).inp 052644182.td-b3lyp_6-31g+(d).log.xz

052644182.td-b3lyp_6-31+g(d).qchem.inp (generated)

052644182.td-b3lyp_6-31+g(d).gjf (generated)

052644182.td-b3lyp_6-31+g(d).firefly.inp (generated)

052644182.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052644182.mol 052644182.PUBCHEM 052644182.mol (via Jmol)
052644183.b3lyp_6-31g(d).inp

052644183.b3lyp_6-31g(d).qchem.inp (generated)

052644183.b3lyp_6-31g(d).gjf (generated)

052644183.b3lyp_6-31g(d).firefly.inp (generated)

052644183.b3lyp_6-31g(d).smash.inp (generated)

052644183.b3lyp_6-31g(d).nwchem.inp (generated) 052644183.b3lyp_6-31g(d).log.xz 052644183.td-b3lyp_6-31g+(d).inp 052644183.td-b3lyp_6-31g+(d).log.xz

052644183.td-b3lyp_6-31+g(d).qchem.inp (generated)

052644183.td-b3lyp_6-31+g(d).gjf (generated)

052644183.td-b3lyp_6-31+g(d).firefly.inp (generated)

052644183.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052644183.mol 052644183.PUBCHEM 052644183.mol (via Jmol)
052644184.b3lyp_6-31g(d).inp

052644184.b3lyp_6-31g(d).qchem.inp (generated)

052644184.b3lyp_6-31g(d).gjf (generated)

052644184.b3lyp_6-31g(d).firefly.inp (generated)

052644184.b3lyp_6-31g(d).smash.inp (generated)

052644184.b3lyp_6-31g(d).nwchem.inp (generated) 052644184.b3lyp_6-31g(d).log.xz 052644184.td-b3lyp_6-31g+(d).inp 052644184.td-b3lyp_6-31g+(d).log.xz

052644184.td-b3lyp_6-31+g(d).qchem.inp (generated)

052644184.td-b3lyp_6-31+g(d).gjf (generated)

052644184.td-b3lyp_6-31+g(d).firefly.inp (generated)

052644184.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052644184.mol 052644184.PUBCHEM 052644184.mol (via Jmol)
052644186.b3lyp_6-31g(d).inp

052644186.b3lyp_6-31g(d).qchem.inp (generated)

052644186.b3lyp_6-31g(d).gjf (generated)

052644186.b3lyp_6-31g(d).firefly.inp (generated)

052644186.b3lyp_6-31g(d).smash.inp (generated)

052644186.b3lyp_6-31g(d).nwchem.inp (generated) 052644186.b3lyp_6-31g(d).log.xz 052644186.td-b3lyp_6-31g+(d).inp 052644186.td-b3lyp_6-31g+(d).log.xz

052644186.td-b3lyp_6-31+g(d).qchem.inp (generated)

052644186.td-b3lyp_6-31+g(d).gjf (generated)

052644186.td-b3lyp_6-31+g(d).firefly.inp (generated)

052644186.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052644186.mol 052644186.PUBCHEM 052644186.mol (via Jmol)
052644187.b3lyp_6-31g(d).inp

052644187.b3lyp_6-31g(d).qchem.inp (generated)

052644187.b3lyp_6-31g(d).gjf (generated)

052644187.b3lyp_6-31g(d).firefly.inp (generated)

052644187.b3lyp_6-31g(d).smash.inp (generated)

052644187.b3lyp_6-31g(d).nwchem.inp (generated) 052644187.b3lyp_6-31g(d).log.xz 052644187.td-b3lyp_6-31g+(d).inp 052644187.td-b3lyp_6-31g+(d).log.xz

052644187.td-b3lyp_6-31+g(d).qchem.inp (generated)

052644187.td-b3lyp_6-31+g(d).gjf (generated)

052644187.td-b3lyp_6-31+g(d).firefly.inp (generated)

052644187.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052644187.mol 052644187.PUBCHEM 052644187.mol (via Jmol)
052644189.b3lyp_6-31g(d).inp

052644189.b3lyp_6-31g(d).qchem.inp (generated)

052644189.b3lyp_6-31g(d).gjf (generated)

052644189.b3lyp_6-31g(d).firefly.inp (generated)

052644189.b3lyp_6-31g(d).smash.inp (generated)

052644189.b3lyp_6-31g(d).nwchem.inp (generated) 052644189.b3lyp_6-31g(d).log.xz 052644189.td-b3lyp_6-31g+(d).inp 052644189.td-b3lyp_6-31g+(d).log.xz

052644189.td-b3lyp_6-31+g(d).qchem.inp (generated)

052644189.td-b3lyp_6-31+g(d).gjf (generated)

052644189.td-b3lyp_6-31+g(d).firefly.inp (generated)

052644189.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052644189.mol 052644189.PUBCHEM 052644189.mol (via Jmol)
052644192.b3lyp_6-31g(d).inp

052644192.b3lyp_6-31g(d).qchem.inp (generated)

052644192.b3lyp_6-31g(d).gjf (generated)

052644192.b3lyp_6-31g(d).firefly.inp (generated)

052644192.b3lyp_6-31g(d).smash.inp (generated)

052644192.b3lyp_6-31g(d).nwchem.inp (generated) 052644192.b3lyp_6-31g(d).log.xz 052644192.td-b3lyp_6-31g+(d).inp 052644192.td-b3lyp_6-31g+(d).log.xz

052644192.td-b3lyp_6-31+g(d).qchem.inp (generated)

052644192.td-b3lyp_6-31+g(d).gjf (generated)

052644192.td-b3lyp_6-31+g(d).firefly.inp (generated)

052644192.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052644192.mol 052644192.PUBCHEM 052644192.mol (via Jmol)
052644193.b3lyp_6-31g(d).inp

052644193.b3lyp_6-31g(d).qchem.inp (generated)

052644193.b3lyp_6-31g(d).gjf (generated)

052644193.b3lyp_6-31g(d).firefly.inp (generated)

052644193.b3lyp_6-31g(d).smash.inp (generated)

052644193.b3lyp_6-31g(d).nwchem.inp (generated) 052644193.b3lyp_6-31g(d).log.xz 052644193.td-b3lyp_6-31g+(d).inp 052644193.td-b3lyp_6-31g+(d).log.xz

052644193.td-b3lyp_6-31+g(d).qchem.inp (generated)

052644193.td-b3lyp_6-31+g(d).gjf (generated)

052644193.td-b3lyp_6-31+g(d).firefly.inp (generated)

052644193.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052644193.mol 052644193.PUBCHEM 052644193.mol (via Jmol)
052644194.b3lyp_6-31g(d).inp

052644194.b3lyp_6-31g(d).qchem.inp (generated)

052644194.b3lyp_6-31g(d).gjf (generated)

052644194.b3lyp_6-31g(d).firefly.inp (generated)

052644194.b3lyp_6-31g(d).smash.inp (generated)

052644194.b3lyp_6-31g(d).nwchem.inp (generated) 052644194.b3lyp_6-31g(d).log.xz 052644194.td-b3lyp_6-31g+(d).inp 052644194.td-b3lyp_6-31g+(d).log.xz

052644194.td-b3lyp_6-31+g(d).qchem.inp (generated)

052644194.td-b3lyp_6-31+g(d).gjf (generated)

052644194.td-b3lyp_6-31+g(d).firefly.inp (generated)

052644194.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052644194.mol 052644194.PUBCHEM 052644194.mol (via Jmol)
052644196.b3lyp_6-31g(d).inp

052644196.b3lyp_6-31g(d).qchem.inp (generated)

052644196.b3lyp_6-31g(d).gjf (generated)

052644196.b3lyp_6-31g(d).firefly.inp (generated)

052644196.b3lyp_6-31g(d).smash.inp (generated)

052644196.b3lyp_6-31g(d).nwchem.inp (generated) 052644196.b3lyp_6-31g(d).log.xz 052644196.td-b3lyp_6-31g+(d).inp 052644196.td-b3lyp_6-31g+(d).log.xz

052644196.td-b3lyp_6-31+g(d).qchem.inp (generated)

052644196.td-b3lyp_6-31+g(d).gjf (generated)

052644196.td-b3lyp_6-31+g(d).firefly.inp (generated)

052644196.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052644196.mol 052644196.PUBCHEM 052644196.mol (via Jmol)
052644197.b3lyp_6-31g(d).inp

052644197.b3lyp_6-31g(d).qchem.inp (generated)

052644197.b3lyp_6-31g(d).gjf (generated)

052644197.b3lyp_6-31g(d).firefly.inp (generated)

052644197.b3lyp_6-31g(d).smash.inp (generated)

052644197.b3lyp_6-31g(d).nwchem.inp (generated) 052644197.b3lyp_6-31g(d).log.xz 052644197.td-b3lyp_6-31g+(d).inp 052644197.td-b3lyp_6-31g+(d).log.xz

052644197.td-b3lyp_6-31+g(d).qchem.inp (generated)

052644197.td-b3lyp_6-31+g(d).gjf (generated)

052644197.td-b3lyp_6-31+g(d).firefly.inp (generated)

052644197.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052644197.mol 052644197.PUBCHEM 052644197.mol (via Jmol)
052644198.b3lyp_6-31g(d).inp

052644198.b3lyp_6-31g(d).qchem.inp (generated)

052644198.b3lyp_6-31g(d).gjf (generated)

052644198.b3lyp_6-31g(d).firefly.inp (generated)

052644198.b3lyp_6-31g(d).smash.inp (generated)

052644198.b3lyp_6-31g(d).nwchem.inp (generated) 052644198.b3lyp_6-31g(d).log.xz 052644198.td-b3lyp_6-31g+(d).inp 052644198.td-b3lyp_6-31g+(d).log.xz

052644198.td-b3lyp_6-31+g(d).qchem.inp (generated)

052644198.td-b3lyp_6-31+g(d).gjf (generated)

052644198.td-b3lyp_6-31+g(d).firefly.inp (generated)

052644198.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052644198.mol 052644198.PUBCHEM 052644198.mol (via Jmol)
052644652.b3lyp_6-31g(d).inp

052644652.b3lyp_6-31g(d).qchem.inp (generated)

052644652.b3lyp_6-31g(d).gjf (generated)

052644652.b3lyp_6-31g(d).firefly.inp (generated)

052644652.b3lyp_6-31g(d).smash.inp (generated)

052644652.b3lyp_6-31g(d).nwchem.inp (generated) 052644652.b3lyp_6-31g(d).log.xz 052644652.td-b3lyp_6-31g+(d).inp 052644652.td-b3lyp_6-31g+(d).log.xz

052644652.td-b3lyp_6-31+g(d).qchem.inp (generated)

052644652.td-b3lyp_6-31+g(d).gjf (generated)

052644652.td-b3lyp_6-31+g(d).firefly.inp (generated)

052644652.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052644652.mol 052644652.PUBCHEM 052644652.mol (via Jmol)
052647053.b3lyp_6-31g(d).inp

052647053.b3lyp_6-31g(d).qchem.inp (generated)

052647053.b3lyp_6-31g(d).gjf (generated)

052647053.b3lyp_6-31g(d).firefly.inp (generated)

052647053.b3lyp_6-31g(d).smash.inp (generated)

052647053.b3lyp_6-31g(d).nwchem.inp (generated) 052647053.b3lyp_6-31g(d).log.xz 052647053.td-b3lyp_6-31g+(d).inp 052647053.td-b3lyp_6-31g+(d).log.xz

052647053.td-b3lyp_6-31+g(d).qchem.inp (generated)

052647053.td-b3lyp_6-31+g(d).gjf (generated)

052647053.td-b3lyp_6-31+g(d).firefly.inp (generated)

052647053.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052647053.mol 052647053.PUBCHEM 052647053.mol (via Jmol)
052647774.b3lyp_6-31g(d).inp

052647774.b3lyp_6-31g(d).qchem.inp (generated)

052647774.b3lyp_6-31g(d).gjf (generated)

052647774.b3lyp_6-31g(d).firefly.inp (generated)

052647774.b3lyp_6-31g(d).smash.inp (generated)

052647774.b3lyp_6-31g(d).nwchem.inp (generated) 052647774.b3lyp_6-31g(d).log.xz 052647774.td-b3lyp_6-31g+(d).inp 052647774.td-b3lyp_6-31g+(d).log.xz

052647774.td-b3lyp_6-31+g(d).qchem.inp (generated)

052647774.td-b3lyp_6-31+g(d).gjf (generated)

052647774.td-b3lyp_6-31+g(d).firefly.inp (generated)

052647774.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052647774.mol 052647774.PUBCHEM 052647774.mol (via Jmol)
052647814.b3lyp_6-31g(d).inp

052647814.b3lyp_6-31g(d).qchem.inp (generated)

052647814.b3lyp_6-31g(d).gjf (generated)

052647814.b3lyp_6-31g(d).firefly.inp (generated)

052647814.b3lyp_6-31g(d).smash.inp (generated)

052647814.b3lyp_6-31g(d).nwchem.inp (generated) 052647814.b3lyp_6-31g(d).log.xz 052647814.td-b3lyp_6-31g+(d).inp 052647814.td-b3lyp_6-31g+(d).log.xz

052647814.td-b3lyp_6-31+g(d).qchem.inp (generated)

052647814.td-b3lyp_6-31+g(d).gjf (generated)

052647814.td-b3lyp_6-31+g(d).firefly.inp (generated)

052647814.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052647814.mol 052647814.PUBCHEM 052647814.mol (via Jmol)
052647815.b3lyp_6-31g(d).inp

052647815.b3lyp_6-31g(d).qchem.inp (generated)

052647815.b3lyp_6-31g(d).gjf (generated)

052647815.b3lyp_6-31g(d).firefly.inp (generated)

052647815.b3lyp_6-31g(d).smash.inp (generated)

052647815.b3lyp_6-31g(d).nwchem.inp (generated) 052647815.b3lyp_6-31g(d).log.xz 052647815.td-b3lyp_6-31g+(d).inp 052647815.td-b3lyp_6-31g+(d).log.xz

052647815.td-b3lyp_6-31+g(d).qchem.inp (generated)

052647815.td-b3lyp_6-31+g(d).gjf (generated)

052647815.td-b3lyp_6-31+g(d).firefly.inp (generated)

052647815.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052647815.mol 052647815.PUBCHEM 052647815.mol (via Jmol)
052649561.b3lyp_6-31g(d).inp

052649561.b3lyp_6-31g(d).qchem.inp (generated)

052649561.b3lyp_6-31g(d).gjf (generated)

052649561.b3lyp_6-31g(d).firefly.inp (generated)

052649561.b3lyp_6-31g(d).smash.inp (generated)

052649561.b3lyp_6-31g(d).nwchem.inp (generated) 052649561.b3lyp_6-31g(d).log.xz 052649561.td-b3lyp_6-31g+(d).inp 052649561.td-b3lyp_6-31g+(d).log.xz

052649561.td-b3lyp_6-31+g(d).qchem.inp (generated)

052649561.td-b3lyp_6-31+g(d).gjf (generated)

052649561.td-b3lyp_6-31+g(d).firefly.inp (generated)

052649561.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052649561.mol 052649561.PUBCHEM 052649561.mol (via Jmol)
052649764.b3lyp_6-31g(d).inp

052649764.b3lyp_6-31g(d).qchem.inp (generated)

052649764.b3lyp_6-31g(d).gjf (generated)

052649764.b3lyp_6-31g(d).firefly.inp (generated)

052649764.b3lyp_6-31g(d).smash.inp (generated)

052649764.b3lyp_6-31g(d).nwchem.inp (generated) 052649764.b3lyp_6-31g(d).log.xz 052649764.td-b3lyp_6-31g+(d).inp 052649764.td-b3lyp_6-31g+(d).log.xz

052649764.td-b3lyp_6-31+g(d).qchem.inp (generated)

052649764.td-b3lyp_6-31+g(d).gjf (generated)

052649764.td-b3lyp_6-31+g(d).firefly.inp (generated)

052649764.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052649764.mol 052649764.PUBCHEM 052649764.mol (via Jmol)


maho@riken.jp/maho.nakata@gmail.com