Index of

Last updated : Thu Mar 23 01:58:55 JST 2017
Total : 2059 (1700) in this page
000900000.b3lyp_6-31g(d).inp

000900000.b3lyp_6-31g(d).qchem.inp (generated)

000900000.b3lyp_6-31g(d).gjf (generated)

000900000.b3lyp_6-31g(d).firefly.inp (generated)

000900000.b3lyp_6-31g(d).smash.inp (generated)

000900000.b3lyp_6-31g(d).nwchem.inp (generated) 000900000.b3lyp_6-31g(d).log.xz 000900000.td-b3lyp_6-31g+(d).inp 000900000.td-b3lyp_6-31g+(d).log.xz

000900000.td-b3lyp_6-31+g(d).qchem.inp (generated)

000900000.td-b3lyp_6-31+g(d).gjf (generated)

000900000.td-b3lyp_6-31+g(d).firefly.inp (generated)

000900000.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000900000.mol 000900000.PUBCHEM 000900000.mol (via Jmol)
000900003.b3lyp_6-31g(d).inp

000900003.b3lyp_6-31g(d).qchem.inp (generated)

000900003.b3lyp_6-31g(d).gjf (generated)

000900003.b3lyp_6-31g(d).firefly.inp (generated)

000900003.b3lyp_6-31g(d).smash.inp (generated)

000900003.b3lyp_6-31g(d).nwchem.inp (generated) 000900003.b3lyp_6-31g(d).log.xz 000900003.td-b3lyp_6-31g+(d).inp 000900003.td-b3lyp_6-31g+(d).log.xz

000900003.td-b3lyp_6-31+g(d).qchem.inp (generated)

000900003.td-b3lyp_6-31+g(d).gjf (generated)

000900003.td-b3lyp_6-31+g(d).firefly.inp (generated)

000900003.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000900003.mol 000900003.PUBCHEM 000900003.mol (via Jmol)
000900015.b3lyp_6-31g(d).inp

000900015.b3lyp_6-31g(d).qchem.inp (generated)

000900015.b3lyp_6-31g(d).gjf (generated)

000900015.b3lyp_6-31g(d).firefly.inp (generated)

000900015.b3lyp_6-31g(d).smash.inp (generated)

000900015.b3lyp_6-31g(d).nwchem.inp (generated) 000900015.b3lyp_6-31g(d).log.xz 000900015.td-b3lyp_6-31g+(d).inp 000900015.td-b3lyp_6-31g+(d).log.xz

000900015.td-b3lyp_6-31+g(d).qchem.inp (generated)

000900015.td-b3lyp_6-31+g(d).gjf (generated)

000900015.td-b3lyp_6-31+g(d).firefly.inp (generated)

000900015.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000900015.mol 000900015.PUBCHEM 000900015.mol (via Jmol)
000900019.b3lyp_6-31g(d).inp

000900019.b3lyp_6-31g(d).qchem.inp (generated)

000900019.b3lyp_6-31g(d).gjf (generated)

000900019.b3lyp_6-31g(d).firefly.inp (generated)

000900019.b3lyp_6-31g(d).smash.inp (generated)

000900019.b3lyp_6-31g(d).nwchem.inp (generated) 000900019.b3lyp_6-31g(d).log.xz 000900019.td-b3lyp_6-31g+(d).inp 000900019.td-b3lyp_6-31g+(d).log.xz

000900019.td-b3lyp_6-31+g(d).qchem.inp (generated)

000900019.td-b3lyp_6-31+g(d).gjf (generated)

000900019.td-b3lyp_6-31+g(d).firefly.inp (generated)

000900019.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000900019.mol 000900019.PUBCHEM 000900019.mol (via Jmol)
000900020.b3lyp_6-31g(d).inp

000900020.b3lyp_6-31g(d).qchem.inp (generated)

000900020.b3lyp_6-31g(d).gjf (generated)

000900020.b3lyp_6-31g(d).firefly.inp (generated)

000900020.b3lyp_6-31g(d).smash.inp (generated)

000900020.b3lyp_6-31g(d).nwchem.inp (generated) 000900020.b3lyp_6-31g(d).log.xz 000900020.td-b3lyp_6-31g+(d).inp 000900020.td-b3lyp_6-31g+(d).log.xz

000900020.td-b3lyp_6-31+g(d).qchem.inp (generated)

000900020.td-b3lyp_6-31+g(d).gjf (generated)

000900020.td-b3lyp_6-31+g(d).firefly.inp (generated)

000900020.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000900020.mol 000900020.PUBCHEM 000900020.mol (via Jmol)
000900026.b3lyp_6-31g(d).inp

000900026.b3lyp_6-31g(d).qchem.inp (generated)

000900026.b3lyp_6-31g(d).gjf (generated)

000900026.b3lyp_6-31g(d).firefly.inp (generated)

000900026.b3lyp_6-31g(d).smash.inp (generated)

000900026.b3lyp_6-31g(d).nwchem.inp (generated) 000900026.b3lyp_6-31g(d).log.xz 000900026.td-b3lyp_6-31g+(d).inp 000900026.td-b3lyp_6-31g+(d).log.xz

000900026.td-b3lyp_6-31+g(d).qchem.inp (generated)

000900026.td-b3lyp_6-31+g(d).gjf (generated)

000900026.td-b3lyp_6-31+g(d).firefly.inp (generated)

000900026.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000900026.mol 000900026.PUBCHEM 000900026.mol (via Jmol)
000900030.b3lyp_6-31g(d).inp

000900030.b3lyp_6-31g(d).qchem.inp (generated)

000900030.b3lyp_6-31g(d).gjf (generated)

000900030.b3lyp_6-31g(d).firefly.inp (generated)

000900030.b3lyp_6-31g(d).smash.inp (generated)

000900030.b3lyp_6-31g(d).nwchem.inp (generated) 000900030.b3lyp_6-31g(d).log.xz 000900030.td-b3lyp_6-31g+(d).inp 000900030.td-b3lyp_6-31g+(d).log.xz

000900030.td-b3lyp_6-31+g(d).qchem.inp (generated)

000900030.td-b3lyp_6-31+g(d).gjf (generated)

000900030.td-b3lyp_6-31+g(d).firefly.inp (generated)

000900030.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000900030.mol 000900030.PUBCHEM 000900030.mol (via Jmol)
000900035.b3lyp_6-31g(d).inp

000900035.b3lyp_6-31g(d).qchem.inp (generated)

000900035.b3lyp_6-31g(d).gjf (generated)

000900035.b3lyp_6-31g(d).firefly.inp (generated)

000900035.b3lyp_6-31g(d).smash.inp (generated)

000900035.b3lyp_6-31g(d).nwchem.inp (generated) 000900035.b3lyp_6-31g(d).log.xz 000900035.td-b3lyp_6-31g+(d).inp 000900035.td-b3lyp_6-31g+(d).log.xz

000900035.td-b3lyp_6-31+g(d).qchem.inp (generated)

000900035.td-b3lyp_6-31+g(d).gjf (generated)

000900035.td-b3lyp_6-31+g(d).firefly.inp (generated)

000900035.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000900035.mol 000900035.PUBCHEM 000900035.mol (via Jmol)
000900043.b3lyp_6-31g(d).inp

000900043.b3lyp_6-31g(d).qchem.inp (generated)

000900043.b3lyp_6-31g(d).gjf (generated)

000900043.b3lyp_6-31g(d).firefly.inp (generated)

000900043.b3lyp_6-31g(d).smash.inp (generated)

000900043.b3lyp_6-31g(d).nwchem.inp (generated) 000900043.b3lyp_6-31g(d).log.xz 000900043.mol 000900043.PUBCHEM 000900043.mol (via Jmol)
000900051.b3lyp_6-31g(d).inp

000900051.b3lyp_6-31g(d).qchem.inp (generated)

000900051.b3lyp_6-31g(d).gjf (generated)

000900051.b3lyp_6-31g(d).firefly.inp (generated)

000900051.b3lyp_6-31g(d).smash.inp (generated)

000900051.b3lyp_6-31g(d).nwchem.inp (generated) 000900051.b3lyp_6-31g(d).log.xz 000900051.mol 000900051.PUBCHEM 000900051.mol (via Jmol)
000900072.b3lyp_6-31g(d).inp

000900072.b3lyp_6-31g(d).qchem.inp (generated)

000900072.b3lyp_6-31g(d).gjf (generated)

000900072.b3lyp_6-31g(d).firefly.inp (generated)

000900072.b3lyp_6-31g(d).smash.inp (generated)

000900072.b3lyp_6-31g(d).nwchem.inp (generated) 000900072.b3lyp_6-31g(d).log.xz 000900072.mol 000900072.PUBCHEM 000900072.mol (via Jmol)
000900101.b3lyp_6-31g(d).inp

000900101.b3lyp_6-31g(d).qchem.inp (generated)

000900101.b3lyp_6-31g(d).gjf (generated)

000900101.b3lyp_6-31g(d).firefly.inp (generated)

000900101.b3lyp_6-31g(d).smash.inp (generated)

000900101.b3lyp_6-31g(d).nwchem.inp (generated) 000900101.b3lyp_6-31g(d).log.xz 000900101.td-b3lyp_6-31g+(d).inp 000900101.td-b3lyp_6-31g+(d).log.xz

000900101.td-b3lyp_6-31+g(d).qchem.inp (generated)

000900101.td-b3lyp_6-31+g(d).gjf (generated)

000900101.td-b3lyp_6-31+g(d).firefly.inp (generated)

000900101.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000900101.mol 000900101.PUBCHEM 000900101.mol (via Jmol)
000900102.b3lyp_6-31g(d).inp

000900102.b3lyp_6-31g(d).qchem.inp (generated)

000900102.b3lyp_6-31g(d).gjf (generated)

000900102.b3lyp_6-31g(d).firefly.inp (generated)

000900102.b3lyp_6-31g(d).smash.inp (generated)

000900102.b3lyp_6-31g(d).nwchem.inp (generated) 000900102.b3lyp_6-31g(d).log.xz 000900102.td-b3lyp_6-31g+(d).inp 000900102.td-b3lyp_6-31g+(d).log.xz

000900102.td-b3lyp_6-31+g(d).qchem.inp (generated)

000900102.td-b3lyp_6-31+g(d).gjf (generated)

000900102.td-b3lyp_6-31+g(d).firefly.inp (generated)

000900102.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000900102.mol 000900102.PUBCHEM 000900102.mol (via Jmol)
000900107.b3lyp_6-31g(d).inp

000900107.b3lyp_6-31g(d).qchem.inp (generated)

000900107.b3lyp_6-31g(d).gjf (generated)

000900107.b3lyp_6-31g(d).firefly.inp (generated)

000900107.b3lyp_6-31g(d).smash.inp (generated)

000900107.b3lyp_6-31g(d).nwchem.inp (generated) 000900107.b3lyp_6-31g(d).log.xz 000900107.td-b3lyp_6-31g+(d).inp 000900107.td-b3lyp_6-31g+(d).log.xz

000900107.td-b3lyp_6-31+g(d).qchem.inp (generated)

000900107.td-b3lyp_6-31+g(d).gjf (generated)

000900107.td-b3lyp_6-31+g(d).firefly.inp (generated)

000900107.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000900107.mol 000900107.PUBCHEM 000900107.mol (via Jmol)
000900109.b3lyp_6-31g(d).inp

000900109.b3lyp_6-31g(d).qchem.inp (generated)

000900109.b3lyp_6-31g(d).gjf (generated)

000900109.b3lyp_6-31g(d).firefly.inp (generated)

000900109.b3lyp_6-31g(d).smash.inp (generated)

000900109.b3lyp_6-31g(d).nwchem.inp (generated) 000900109.b3lyp_6-31g(d).log.xz 000900109.td-b3lyp_6-31g+(d).inp 000900109.td-b3lyp_6-31g+(d).log.xz

000900109.td-b3lyp_6-31+g(d).qchem.inp (generated)

000900109.td-b3lyp_6-31+g(d).gjf (generated)

000900109.td-b3lyp_6-31+g(d).firefly.inp (generated)

000900109.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000900109.mol 000900109.PUBCHEM 000900109.mol (via Jmol)
000900110.b3lyp_6-31g(d).inp

000900110.b3lyp_6-31g(d).qchem.inp (generated)

000900110.b3lyp_6-31g(d).gjf (generated)

000900110.b3lyp_6-31g(d).firefly.inp (generated)

000900110.b3lyp_6-31g(d).smash.inp (generated)

000900110.b3lyp_6-31g(d).nwchem.inp (generated) 000900110.b3lyp_6-31g(d).log.xz 000900110.mol 000900110.PUBCHEM 000900110.mol (via Jmol)
000900116.b3lyp_6-31g(d).inp

000900116.b3lyp_6-31g(d).qchem.inp (generated)

000900116.b3lyp_6-31g(d).gjf (generated)

000900116.b3lyp_6-31g(d).firefly.inp (generated)

000900116.b3lyp_6-31g(d).smash.inp (generated)

000900116.b3lyp_6-31g(d).nwchem.inp (generated) 000900116.b3lyp_6-31g(d).log.xz 000900116.td-b3lyp_6-31g+(d).inp 000900116.td-b3lyp_6-31g+(d).log.xz

000900116.td-b3lyp_6-31+g(d).qchem.inp (generated)

000900116.td-b3lyp_6-31+g(d).gjf (generated)

000900116.td-b3lyp_6-31+g(d).firefly.inp (generated)

000900116.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000900116.mol 000900116.PUBCHEM 000900116.mol (via Jmol)
000900138.b3lyp_6-31g(d).inp

000900138.b3lyp_6-31g(d).qchem.inp (generated)

000900138.b3lyp_6-31g(d).gjf (generated)

000900138.b3lyp_6-31g(d).firefly.inp (generated)

000900138.b3lyp_6-31g(d).smash.inp (generated)

000900138.b3lyp_6-31g(d).nwchem.inp (generated) 000900138.b3lyp_6-31g(d).log.xz 000900138.mol 000900138.PUBCHEM 000900138.mol (via Jmol)
000900148.b3lyp_6-31g(d).inp

000900148.b3lyp_6-31g(d).qchem.inp (generated)

000900148.b3lyp_6-31g(d).gjf (generated)

000900148.b3lyp_6-31g(d).firefly.inp (generated)

000900148.b3lyp_6-31g(d).smash.inp (generated)

000900148.b3lyp_6-31g(d).nwchem.inp (generated) 000900148.b3lyp_6-31g(d).log.xz 000900148.mol 000900148.PUBCHEM 000900148.mol (via Jmol)
000900156.b3lyp_6-31g(d).inp

000900156.b3lyp_6-31g(d).qchem.inp (generated)

000900156.b3lyp_6-31g(d).gjf (generated)

000900156.b3lyp_6-31g(d).firefly.inp (generated)

000900156.b3lyp_6-31g(d).smash.inp (generated)

000900156.b3lyp_6-31g(d).nwchem.inp (generated) 000900156.b3lyp_6-31g(d).log.xz 000900156.td-b3lyp_6-31g+(d).inp 000900156.td-b3lyp_6-31g+(d).log.xz

000900156.td-b3lyp_6-31+g(d).qchem.inp (generated)

000900156.td-b3lyp_6-31+g(d).gjf (generated)

000900156.td-b3lyp_6-31+g(d).firefly.inp (generated)

000900156.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000900156.mol 000900156.PUBCHEM 000900156.mol (via Jmol)
000900190.b3lyp_6-31g(d).inp

000900190.b3lyp_6-31g(d).qchem.inp (generated)

000900190.b3lyp_6-31g(d).gjf (generated)

000900190.b3lyp_6-31g(d).firefly.inp (generated)

000900190.b3lyp_6-31g(d).smash.inp (generated)

000900190.b3lyp_6-31g(d).nwchem.inp (generated) 000900190.b3lyp_6-31g(d).log.xz 000900190.td-b3lyp_6-31g+(d).inp 000900190.td-b3lyp_6-31g+(d).log.xz

000900190.td-b3lyp_6-31+g(d).qchem.inp (generated)

000900190.td-b3lyp_6-31+g(d).gjf (generated)

000900190.td-b3lyp_6-31+g(d).firefly.inp (generated)

000900190.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000900190.mol 000900190.PUBCHEM 000900190.mol (via Jmol)
000900194.b3lyp_6-31g(d).inp

000900194.b3lyp_6-31g(d).qchem.inp (generated)

000900194.b3lyp_6-31g(d).gjf (generated)

000900194.b3lyp_6-31g(d).firefly.inp (generated)

000900194.b3lyp_6-31g(d).smash.inp (generated)

000900194.b3lyp_6-31g(d).nwchem.inp (generated) 000900194.b3lyp_6-31g(d).log.xz 000900194.mol 000900194.PUBCHEM 000900194.mol (via Jmol)
000900255.b3lyp_6-31g(d).inp

000900255.b3lyp_6-31g(d).qchem.inp (generated)

000900255.b3lyp_6-31g(d).gjf (generated)

000900255.b3lyp_6-31g(d).firefly.inp (generated)

000900255.b3lyp_6-31g(d).smash.inp (generated)

000900255.b3lyp_6-31g(d).nwchem.inp (generated) 000900255.b3lyp_6-31g(d).log.xz 000900255.mol 000900255.PUBCHEM 000900255.mol (via Jmol)
000900261.b3lyp_6-31g(d).inp

000900261.b3lyp_6-31g(d).qchem.inp (generated)

000900261.b3lyp_6-31g(d).gjf (generated)

000900261.b3lyp_6-31g(d).firefly.inp (generated)

000900261.b3lyp_6-31g(d).smash.inp (generated)

000900261.b3lyp_6-31g(d).nwchem.inp (generated) 000900261.b3lyp_6-31g(d).log.xz 000900261.mol 000900261.PUBCHEM 000900261.mol (via Jmol)
000900268.b3lyp_6-31g(d).inp

000900268.b3lyp_6-31g(d).qchem.inp (generated)

000900268.b3lyp_6-31g(d).gjf (generated)

000900268.b3lyp_6-31g(d).firefly.inp (generated)

000900268.b3lyp_6-31g(d).smash.inp (generated)

000900268.b3lyp_6-31g(d).nwchem.inp (generated) 000900268.b3lyp_6-31g(d).log.xz 000900268.td-b3lyp_6-31g+(d).inp 000900268.td-b3lyp_6-31g+(d).log.xz

000900268.td-b3lyp_6-31+g(d).qchem.inp (generated)

000900268.td-b3lyp_6-31+g(d).gjf (generated)

000900268.td-b3lyp_6-31+g(d).firefly.inp (generated)

000900268.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000900268.mol 000900268.PUBCHEM 000900268.mol (via Jmol)
000900361.b3lyp_6-31g(d).inp

000900361.b3lyp_6-31g(d).qchem.inp (generated)

000900361.b3lyp_6-31g(d).gjf (generated)

000900361.b3lyp_6-31g(d).firefly.inp (generated)

000900361.b3lyp_6-31g(d).smash.inp (generated)

000900361.b3lyp_6-31g(d).nwchem.inp (generated) 000900361.b3lyp_6-31g(d).log.xz 000900361.mol 000900361.PUBCHEM 000900361.mol (via Jmol)
000900372.b3lyp_6-31g(d).inp

000900372.b3lyp_6-31g(d).qchem.inp (generated)

000900372.b3lyp_6-31g(d).gjf (generated)

000900372.b3lyp_6-31g(d).firefly.inp (generated)

000900372.b3lyp_6-31g(d).smash.inp (generated)

000900372.b3lyp_6-31g(d).nwchem.inp (generated) 000900372.b3lyp_6-31g(d).log.xz 000900372.td-b3lyp_6-31g+(d).inp 000900372.td-b3lyp_6-31g+(d).log.xz

000900372.td-b3lyp_6-31+g(d).qchem.inp (generated)

000900372.td-b3lyp_6-31+g(d).gjf (generated)

000900372.td-b3lyp_6-31+g(d).firefly.inp (generated)

000900372.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000900372.mol 000900372.PUBCHEM 000900372.mol (via Jmol)
000900402.b3lyp_6-31g(d).inp

000900402.b3lyp_6-31g(d).qchem.inp (generated)

000900402.b3lyp_6-31g(d).gjf (generated)

000900402.b3lyp_6-31g(d).firefly.inp (generated)

000900402.b3lyp_6-31g(d).smash.inp (generated)

000900402.b3lyp_6-31g(d).nwchem.inp (generated) 000900402.b3lyp_6-31g(d).log.xz 000900402.mol 000900402.PUBCHEM 000900402.mol (via Jmol)
000900403.b3lyp_6-31g(d).inp

000900403.b3lyp_6-31g(d).qchem.inp (generated)

000900403.b3lyp_6-31g(d).gjf (generated)

000900403.b3lyp_6-31g(d).firefly.inp (generated)

000900403.b3lyp_6-31g(d).smash.inp (generated)

000900403.b3lyp_6-31g(d).nwchem.inp (generated) 000900403.b3lyp_6-31g(d).log.xz 000900403.mol 000900403.PUBCHEM 000900403.mol (via Jmol)
000900407.b3lyp_6-31g(d).inp

000900407.b3lyp_6-31g(d).qchem.inp (generated)

000900407.b3lyp_6-31g(d).gjf (generated)

000900407.b3lyp_6-31g(d).firefly.inp (generated)

000900407.b3lyp_6-31g(d).smash.inp (generated)

000900407.b3lyp_6-31g(d).nwchem.inp (generated) 000900407.b3lyp_6-31g(d).log.xz 000900407.td-b3lyp_6-31g+(d).inp 000900407.td-b3lyp_6-31g+(d).log.xz

000900407.td-b3lyp_6-31+g(d).qchem.inp (generated)

000900407.td-b3lyp_6-31+g(d).gjf (generated)

000900407.td-b3lyp_6-31+g(d).firefly.inp (generated)

000900407.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000900407.mol 000900407.PUBCHEM 000900407.mol (via Jmol)
000900419.b3lyp_6-31g(d).inp

000900419.b3lyp_6-31g(d).qchem.inp (generated)

000900419.b3lyp_6-31g(d).gjf (generated)

000900419.b3lyp_6-31g(d).firefly.inp (generated)

000900419.b3lyp_6-31g(d).smash.inp (generated)

000900419.b3lyp_6-31g(d).nwchem.inp (generated) 000900419.b3lyp_6-31g(d).log.xz 000900419.td-b3lyp_6-31g+(d).inp 000900419.td-b3lyp_6-31g+(d).log.xz

000900419.td-b3lyp_6-31+g(d).qchem.inp (generated)

000900419.td-b3lyp_6-31+g(d).gjf (generated)

000900419.td-b3lyp_6-31+g(d).firefly.inp (generated)

000900419.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000900419.mol 000900419.PUBCHEM 000900419.mol (via Jmol)
000900425.b3lyp_6-31g(d).inp

000900425.b3lyp_6-31g(d).qchem.inp (generated)

000900425.b3lyp_6-31g(d).gjf (generated)

000900425.b3lyp_6-31g(d).firefly.inp (generated)

000900425.b3lyp_6-31g(d).smash.inp (generated)

000900425.b3lyp_6-31g(d).nwchem.inp (generated) 000900425.b3lyp_6-31g(d).log.xz 000900425.mol 000900425.PUBCHEM 000900425.mol (via Jmol)
000900434.b3lyp_6-31g(d).inp

000900434.b3lyp_6-31g(d).qchem.inp (generated)

000900434.b3lyp_6-31g(d).gjf (generated)

000900434.b3lyp_6-31g(d).firefly.inp (generated)

000900434.b3lyp_6-31g(d).smash.inp (generated)

000900434.b3lyp_6-31g(d).nwchem.inp (generated) 000900434.b3lyp_6-31g(d).log.xz 000900434.td-b3lyp_6-31g+(d).inp 000900434.td-b3lyp_6-31g+(d).log.xz

000900434.td-b3lyp_6-31+g(d).qchem.inp (generated)

000900434.td-b3lyp_6-31+g(d).gjf (generated)

000900434.td-b3lyp_6-31+g(d).firefly.inp (generated)

000900434.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000900434.mol 000900434.PUBCHEM 000900434.mol (via Jmol)
000900543.b3lyp_6-31g(d).inp

000900543.b3lyp_6-31g(d).qchem.inp (generated)

000900543.b3lyp_6-31g(d).gjf (generated)

000900543.b3lyp_6-31g(d).firefly.inp (generated)

000900543.b3lyp_6-31g(d).smash.inp (generated)

000900543.b3lyp_6-31g(d).nwchem.inp (generated) 000900543.b3lyp_6-31g(d).log.xz 000900543.mol 000900543.PUBCHEM 000900543.mol (via Jmol)
000900672.b3lyp_6-31g(d).inp

000900672.b3lyp_6-31g(d).qchem.inp (generated)

000900672.b3lyp_6-31g(d).gjf (generated)

000900672.b3lyp_6-31g(d).firefly.inp (generated)

000900672.b3lyp_6-31g(d).smash.inp (generated)

000900672.b3lyp_6-31g(d).nwchem.inp (generated) 000900672.b3lyp_6-31g(d).log.xz 000900672.td-b3lyp_6-31g+(d).inp 000900672.td-b3lyp_6-31g+(d).log.xz

000900672.td-b3lyp_6-31+g(d).qchem.inp (generated)

000900672.td-b3lyp_6-31+g(d).gjf (generated)

000900672.td-b3lyp_6-31+g(d).firefly.inp (generated)

000900672.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000900672.mol 000900672.PUBCHEM 000900672.mol (via Jmol)
000900690.b3lyp_6-31g(d).inp

000900690.b3lyp_6-31g(d).qchem.inp (generated)

000900690.b3lyp_6-31g(d).gjf (generated)

000900690.b3lyp_6-31g(d).firefly.inp (generated)

000900690.b3lyp_6-31g(d).smash.inp (generated)

000900690.b3lyp_6-31g(d).nwchem.inp (generated) 000900690.b3lyp_6-31g(d).log.xz 000900690.td-b3lyp_6-31g+(d).inp 000900690.td-b3lyp_6-31g+(d).log.xz

000900690.td-b3lyp_6-31+g(d).qchem.inp (generated)

000900690.td-b3lyp_6-31+g(d).gjf (generated)

000900690.td-b3lyp_6-31+g(d).firefly.inp (generated)

000900690.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000900690.mol 000900690.PUBCHEM 000900690.mol (via Jmol)
000900701.b3lyp_6-31g(d).inp

000900701.b3lyp_6-31g(d).qchem.inp (generated)

000900701.b3lyp_6-31g(d).gjf (generated)

000900701.b3lyp_6-31g(d).firefly.inp (generated)

000900701.b3lyp_6-31g(d).smash.inp (generated)

000900701.b3lyp_6-31g(d).nwchem.inp (generated) 000900701.b3lyp_6-31g(d).log.xz 000900701.mol 000900701.PUBCHEM 000900701.mol (via Jmol)
000900712.b3lyp_6-31g(d).inp

000900712.b3lyp_6-31g(d).qchem.inp (generated)

000900712.b3lyp_6-31g(d).gjf (generated)

000900712.b3lyp_6-31g(d).firefly.inp (generated)

000900712.b3lyp_6-31g(d).smash.inp (generated)

000900712.b3lyp_6-31g(d).nwchem.inp (generated) 000900712.b3lyp_6-31g(d).log.xz 000900712.td-b3lyp_6-31g+(d).inp 000900712.td-b3lyp_6-31g+(d).log.xz

000900712.td-b3lyp_6-31+g(d).qchem.inp (generated)

000900712.td-b3lyp_6-31+g(d).gjf (generated)

000900712.td-b3lyp_6-31+g(d).firefly.inp (generated)

000900712.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000900712.mol 000900712.PUBCHEM 000900712.mol (via Jmol)
000900720.b3lyp_6-31g(d).inp

000900720.b3lyp_6-31g(d).qchem.inp (generated)

000900720.b3lyp_6-31g(d).gjf (generated)

000900720.b3lyp_6-31g(d).firefly.inp (generated)

000900720.b3lyp_6-31g(d).smash.inp (generated)

000900720.b3lyp_6-31g(d).nwchem.inp (generated) 000900720.b3lyp_6-31g(d).log.xz 000900720.td-b3lyp_6-31g+(d).inp 000900720.td-b3lyp_6-31g+(d).log.xz

000900720.td-b3lyp_6-31+g(d).qchem.inp (generated)

000900720.td-b3lyp_6-31+g(d).gjf (generated)

000900720.td-b3lyp_6-31+g(d).firefly.inp (generated)

000900720.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000900720.mol 000900720.PUBCHEM 000900720.mol (via Jmol)
000900721.b3lyp_6-31g(d).inp

000900721.b3lyp_6-31g(d).qchem.inp (generated)

000900721.b3lyp_6-31g(d).gjf (generated)

000900721.b3lyp_6-31g(d).firefly.inp (generated)

000900721.b3lyp_6-31g(d).smash.inp (generated)

000900721.b3lyp_6-31g(d).nwchem.inp (generated) 000900721.b3lyp_6-31g(d).log.xz 000900721.td-b3lyp_6-31g+(d).inp 000900721.td-b3lyp_6-31g+(d).log.xz

000900721.td-b3lyp_6-31+g(d).qchem.inp (generated)

000900721.td-b3lyp_6-31+g(d).gjf (generated)

000900721.td-b3lyp_6-31+g(d).firefly.inp (generated)

000900721.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000900721.mol 000900721.PUBCHEM 000900721.mol (via Jmol)
000900725.b3lyp_6-31g(d).inp

000900725.b3lyp_6-31g(d).qchem.inp (generated)

000900725.b3lyp_6-31g(d).gjf (generated)

000900725.b3lyp_6-31g(d).firefly.inp (generated)

000900725.b3lyp_6-31g(d).smash.inp (generated)

000900725.b3lyp_6-31g(d).nwchem.inp (generated) 000900725.b3lyp_6-31g(d).log.xz 000900725.mol 000900725.PUBCHEM 000900725.mol (via Jmol)
000900728.b3lyp_6-31g(d).inp

000900728.b3lyp_6-31g(d).qchem.inp (generated)

000900728.b3lyp_6-31g(d).gjf (generated)

000900728.b3lyp_6-31g(d).firefly.inp (generated)

000900728.b3lyp_6-31g(d).smash.inp (generated)

000900728.b3lyp_6-31g(d).nwchem.inp (generated) 000900728.b3lyp_6-31g(d).log.xz 000900728.mol 000900728.PUBCHEM 000900728.mol (via Jmol)
000900750.b3lyp_6-31g(d).inp

000900750.b3lyp_6-31g(d).qchem.inp (generated)

000900750.b3lyp_6-31g(d).gjf (generated)

000900750.b3lyp_6-31g(d).firefly.inp (generated)

000900750.b3lyp_6-31g(d).smash.inp (generated)

000900750.b3lyp_6-31g(d).nwchem.inp (generated) 000900750.b3lyp_6-31g(d).log.xz 000900750.td-b3lyp_6-31g+(d).inp 000900750.td-b3lyp_6-31g+(d).log.xz

000900750.td-b3lyp_6-31+g(d).qchem.inp (generated)

000900750.td-b3lyp_6-31+g(d).gjf (generated)

000900750.td-b3lyp_6-31+g(d).firefly.inp (generated)

000900750.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000900750.mol 000900750.PUBCHEM 000900750.mol (via Jmol)
000900755.b3lyp_6-31g(d).inp

000900755.b3lyp_6-31g(d).qchem.inp (generated)

000900755.b3lyp_6-31g(d).gjf (generated)

000900755.b3lyp_6-31g(d).firefly.inp (generated)

000900755.b3lyp_6-31g(d).smash.inp (generated)

000900755.b3lyp_6-31g(d).nwchem.inp (generated) 000900755.b3lyp_6-31g(d).log.xz 000900755.mol 000900755.PUBCHEM 000900755.mol (via Jmol)
000900756.b3lyp_6-31g(d).inp

000900756.b3lyp_6-31g(d).qchem.inp (generated)

000900756.b3lyp_6-31g(d).gjf (generated)

000900756.b3lyp_6-31g(d).firefly.inp (generated)

000900756.b3lyp_6-31g(d).smash.inp (generated)

000900756.b3lyp_6-31g(d).nwchem.inp (generated) 000900756.b3lyp_6-31g(d).log.xz 000900756.td-b3lyp_6-31g+(d).inp 000900756.td-b3lyp_6-31g+(d).log.xz

000900756.td-b3lyp_6-31+g(d).qchem.inp (generated)

000900756.td-b3lyp_6-31+g(d).gjf (generated)

000900756.td-b3lyp_6-31+g(d).firefly.inp (generated)

000900756.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000900756.mol 000900756.PUBCHEM 000900756.mol (via Jmol)
000900773.b3lyp_6-31g(d).inp

000900773.b3lyp_6-31g(d).qchem.inp (generated)

000900773.b3lyp_6-31g(d).gjf (generated)

000900773.b3lyp_6-31g(d).firefly.inp (generated)

000900773.b3lyp_6-31g(d).smash.inp (generated)

000900773.b3lyp_6-31g(d).nwchem.inp (generated) 000900773.b3lyp_6-31g(d).log.xz 000900773.td-b3lyp_6-31g+(d).inp 000900773.td-b3lyp_6-31g+(d).log.xz

000900773.td-b3lyp_6-31+g(d).qchem.inp (generated)

000900773.td-b3lyp_6-31+g(d).gjf (generated)

000900773.td-b3lyp_6-31+g(d).firefly.inp (generated)

000900773.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000900773.mol 000900773.PUBCHEM 000900773.mol (via Jmol)
000900775.b3lyp_6-31g(d).inp

000900775.b3lyp_6-31g(d).qchem.inp (generated)

000900775.b3lyp_6-31g(d).gjf (generated)

000900775.b3lyp_6-31g(d).firefly.inp (generated)

000900775.b3lyp_6-31g(d).smash.inp (generated)

000900775.b3lyp_6-31g(d).nwchem.inp (generated) 000900775.b3lyp_6-31g(d).log.xz 000900775.td-b3lyp_6-31g+(d).inp 000900775.td-b3lyp_6-31g+(d).log.xz

000900775.td-b3lyp_6-31+g(d).qchem.inp (generated)

000900775.td-b3lyp_6-31+g(d).gjf (generated)

000900775.td-b3lyp_6-31+g(d).firefly.inp (generated)

000900775.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000900775.mol 000900775.PUBCHEM 000900775.mol (via Jmol)
000900778.b3lyp_6-31g(d).inp

000900778.b3lyp_6-31g(d).qchem.inp (generated)

000900778.b3lyp_6-31g(d).gjf (generated)

000900778.b3lyp_6-31g(d).firefly.inp (generated)

000900778.b3lyp_6-31g(d).smash.inp (generated)

000900778.b3lyp_6-31g(d).nwchem.inp (generated) 000900778.b3lyp_6-31g(d).log.xz 000900778.td-b3lyp_6-31g+(d).inp 000900778.td-b3lyp_6-31g+(d).log.xz

000900778.td-b3lyp_6-31+g(d).qchem.inp (generated)

000900778.td-b3lyp_6-31+g(d).gjf (generated)

000900778.td-b3lyp_6-31+g(d).firefly.inp (generated)

000900778.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000900778.mol 000900778.PUBCHEM 000900778.mol (via Jmol)
000900807.b3lyp_6-31g(d).inp

000900807.b3lyp_6-31g(d).qchem.inp (generated)

000900807.b3lyp_6-31g(d).gjf (generated)

000900807.b3lyp_6-31g(d).firefly.inp (generated)

000900807.b3lyp_6-31g(d).smash.inp (generated)

000900807.b3lyp_6-31g(d).nwchem.inp (generated) 000900807.b3lyp_6-31g(d).log.xz 000900807.td-b3lyp_6-31g+(d).inp 000900807.td-b3lyp_6-31g+(d).log.xz

000900807.td-b3lyp_6-31+g(d).qchem.inp (generated)

000900807.td-b3lyp_6-31+g(d).gjf (generated)

000900807.td-b3lyp_6-31+g(d).firefly.inp (generated)

000900807.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000900807.mol 000900807.PUBCHEM 000900807.mol (via Jmol)
000900812.b3lyp_6-31g(d).inp

000900812.b3lyp_6-31g(d).qchem.inp (generated)

000900812.b3lyp_6-31g(d).gjf (generated)

000900812.b3lyp_6-31g(d).firefly.inp (generated)

000900812.b3lyp_6-31g(d).smash.inp (generated)

000900812.b3lyp_6-31g(d).nwchem.inp (generated) 000900812.b3lyp_6-31g(d).log.xz 000900812.td-b3lyp_6-31g+(d).inp 000900812.td-b3lyp_6-31g+(d).log.xz

000900812.td-b3lyp_6-31+g(d).qchem.inp (generated)

000900812.td-b3lyp_6-31+g(d).gjf (generated)

000900812.td-b3lyp_6-31+g(d).firefly.inp (generated)

000900812.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000900812.mol 000900812.PUBCHEM 000900812.mol (via Jmol)
000900814.b3lyp_6-31g(d).inp

000900814.b3lyp_6-31g(d).qchem.inp (generated)

000900814.b3lyp_6-31g(d).gjf (generated)

000900814.b3lyp_6-31g(d).firefly.inp (generated)

000900814.b3lyp_6-31g(d).smash.inp (generated)

000900814.b3lyp_6-31g(d).nwchem.inp (generated) 000900814.b3lyp_6-31g(d).log.xz 000900814.td-b3lyp_6-31g+(d).inp 000900814.td-b3lyp_6-31g+(d).log.xz

000900814.td-b3lyp_6-31+g(d).qchem.inp (generated)

000900814.td-b3lyp_6-31+g(d).gjf (generated)

000900814.td-b3lyp_6-31+g(d).firefly.inp (generated)

000900814.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000900814.mol 000900814.PUBCHEM 000900814.mol (via Jmol)
000900823.b3lyp_6-31g(d).inp

000900823.b3lyp_6-31g(d).qchem.inp (generated)

000900823.b3lyp_6-31g(d).gjf (generated)

000900823.b3lyp_6-31g(d).firefly.inp (generated)

000900823.b3lyp_6-31g(d).smash.inp (generated)

000900823.b3lyp_6-31g(d).nwchem.inp (generated) 000900823.b3lyp_6-31g(d).log.xz 000900823.td-b3lyp_6-31g+(d).inp 000900823.td-b3lyp_6-31g+(d).log.xz

000900823.td-b3lyp_6-31+g(d).qchem.inp (generated)

000900823.td-b3lyp_6-31+g(d).gjf (generated)

000900823.td-b3lyp_6-31+g(d).firefly.inp (generated)

000900823.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000900823.mol 000900823.PUBCHEM 000900823.mol (via Jmol)
000900852.b3lyp_6-31g(d).inp

000900852.b3lyp_6-31g(d).qchem.inp (generated)

000900852.b3lyp_6-31g(d).gjf (generated)

000900852.b3lyp_6-31g(d).firefly.inp (generated)

000900852.b3lyp_6-31g(d).smash.inp (generated)

000900852.b3lyp_6-31g(d).nwchem.inp (generated) 000900852.b3lyp_6-31g(d).log.xz 000900852.td-b3lyp_6-31g+(d).inp 000900852.td-b3lyp_6-31g+(d).log.xz

000900852.td-b3lyp_6-31+g(d).qchem.inp (generated)

000900852.td-b3lyp_6-31+g(d).gjf (generated)

000900852.td-b3lyp_6-31+g(d).firefly.inp (generated)

000900852.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000900852.mol 000900852.PUBCHEM 000900852.mol (via Jmol)
000900853.b3lyp_6-31g(d).inp

000900853.b3lyp_6-31g(d).qchem.inp (generated)

000900853.b3lyp_6-31g(d).gjf (generated)

000900853.b3lyp_6-31g(d).firefly.inp (generated)

000900853.b3lyp_6-31g(d).smash.inp (generated)

000900853.b3lyp_6-31g(d).nwchem.inp (generated) 000900853.b3lyp_6-31g(d).log.xz 000900853.td-b3lyp_6-31g+(d).inp 000900853.td-b3lyp_6-31g+(d).log.xz

000900853.td-b3lyp_6-31+g(d).qchem.inp (generated)

000900853.td-b3lyp_6-31+g(d).gjf (generated)

000900853.td-b3lyp_6-31+g(d).firefly.inp (generated)

000900853.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000900853.mol 000900853.PUBCHEM 000900853.mol (via Jmol)
000900858.b3lyp_6-31g(d).inp

000900858.b3lyp_6-31g(d).qchem.inp (generated)

000900858.b3lyp_6-31g(d).gjf (generated)

000900858.b3lyp_6-31g(d).firefly.inp (generated)

000900858.b3lyp_6-31g(d).smash.inp (generated)

000900858.b3lyp_6-31g(d).nwchem.inp (generated) 000900858.b3lyp_6-31g(d).log.xz 000900858.mol 000900858.PUBCHEM 000900858.mol (via Jmol)
000900873.b3lyp_6-31g(d).inp

000900873.b3lyp_6-31g(d).qchem.inp (generated)

000900873.b3lyp_6-31g(d).gjf (generated)

000900873.b3lyp_6-31g(d).firefly.inp (generated)

000900873.b3lyp_6-31g(d).smash.inp (generated)

000900873.b3lyp_6-31g(d).nwchem.inp (generated) 000900873.b3lyp_6-31g(d).log.xz 000900873.td-b3lyp_6-31g+(d).inp 000900873.td-b3lyp_6-31g+(d).log.xz

000900873.td-b3lyp_6-31+g(d).qchem.inp (generated)

000900873.td-b3lyp_6-31+g(d).gjf (generated)

000900873.td-b3lyp_6-31+g(d).firefly.inp (generated)

000900873.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000900873.mol 000900873.PUBCHEM 000900873.mol (via Jmol)
000900891.b3lyp_6-31g(d).inp

000900891.b3lyp_6-31g(d).qchem.inp (generated)

000900891.b3lyp_6-31g(d).gjf (generated)

000900891.b3lyp_6-31g(d).firefly.inp (generated)

000900891.b3lyp_6-31g(d).smash.inp (generated)

000900891.b3lyp_6-31g(d).nwchem.inp (generated) 000900891.b3lyp_6-31g(d).log.xz 000900891.mol 000900891.PUBCHEM 000900891.mol (via Jmol)
000900898.b3lyp_6-31g(d).inp

000900898.b3lyp_6-31g(d).qchem.inp (generated)

000900898.b3lyp_6-31g(d).gjf (generated)

000900898.b3lyp_6-31g(d).firefly.inp (generated)

000900898.b3lyp_6-31g(d).smash.inp (generated)

000900898.b3lyp_6-31g(d).nwchem.inp (generated) 000900898.b3lyp_6-31g(d).log.xz 000900898.td-b3lyp_6-31g+(d).inp 000900898.td-b3lyp_6-31g+(d).log.xz

000900898.td-b3lyp_6-31+g(d).qchem.inp (generated)

000900898.td-b3lyp_6-31+g(d).gjf (generated)

000900898.td-b3lyp_6-31+g(d).firefly.inp (generated)

000900898.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000900898.mol 000900898.PUBCHEM 000900898.mol (via Jmol)
000900905.b3lyp_6-31g(d).inp

000900905.b3lyp_6-31g(d).qchem.inp (generated)

000900905.b3lyp_6-31g(d).gjf (generated)

000900905.b3lyp_6-31g(d).firefly.inp (generated)

000900905.b3lyp_6-31g(d).smash.inp (generated)

000900905.b3lyp_6-31g(d).nwchem.inp (generated) 000900905.b3lyp_6-31g(d).log.xz 000900905.td-b3lyp_6-31g+(d).inp 000900905.td-b3lyp_6-31g+(d).log.xz

000900905.td-b3lyp_6-31+g(d).qchem.inp (generated)

000900905.td-b3lyp_6-31+g(d).gjf (generated)

000900905.td-b3lyp_6-31+g(d).firefly.inp (generated)

000900905.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000900905.mol 000900905.PUBCHEM 000900905.mol (via Jmol)
000900907.b3lyp_6-31g(d).inp

000900907.b3lyp_6-31g(d).qchem.inp (generated)

000900907.b3lyp_6-31g(d).gjf (generated)

000900907.b3lyp_6-31g(d).firefly.inp (generated)

000900907.b3lyp_6-31g(d).smash.inp (generated)

000900907.b3lyp_6-31g(d).nwchem.inp (generated) 000900907.b3lyp_6-31g(d).log.xz 000900907.td-b3lyp_6-31g+(d).inp 000900907.td-b3lyp_6-31g+(d).log.xz

000900907.td-b3lyp_6-31+g(d).qchem.inp (generated)

000900907.td-b3lyp_6-31+g(d).gjf (generated)

000900907.td-b3lyp_6-31+g(d).firefly.inp (generated)

000900907.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000900907.mol 000900907.PUBCHEM 000900907.mol (via Jmol)
000900920.b3lyp_6-31g(d).inp

000900920.b3lyp_6-31g(d).qchem.inp (generated)

000900920.b3lyp_6-31g(d).gjf (generated)

000900920.b3lyp_6-31g(d).firefly.inp (generated)

000900920.b3lyp_6-31g(d).smash.inp (generated)

000900920.b3lyp_6-31g(d).nwchem.inp (generated) 000900920.b3lyp_6-31g(d).log.xz 000900920.td-b3lyp_6-31g+(d).inp 000900920.td-b3lyp_6-31g+(d).log.xz

000900920.td-b3lyp_6-31+g(d).qchem.inp (generated)

000900920.td-b3lyp_6-31+g(d).gjf (generated)

000900920.td-b3lyp_6-31+g(d).firefly.inp (generated)

000900920.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000900920.mol 000900920.PUBCHEM 000900920.mol (via Jmol)
000900925.b3lyp_6-31g(d).inp

000900925.b3lyp_6-31g(d).qchem.inp (generated)

000900925.b3lyp_6-31g(d).gjf (generated)

000900925.b3lyp_6-31g(d).firefly.inp (generated)

000900925.b3lyp_6-31g(d).smash.inp (generated)

000900925.b3lyp_6-31g(d).nwchem.inp (generated) 000900925.b3lyp_6-31g(d).log.xz 000900925.td-b3lyp_6-31g+(d).inp 000900925.td-b3lyp_6-31g+(d).log.xz

000900925.td-b3lyp_6-31+g(d).qchem.inp (generated)

000900925.td-b3lyp_6-31+g(d).gjf (generated)

000900925.td-b3lyp_6-31+g(d).firefly.inp (generated)

000900925.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000900925.mol 000900925.PUBCHEM 000900925.mol (via Jmol)
000900930.b3lyp_6-31g(d).inp

000900930.b3lyp_6-31g(d).qchem.inp (generated)

000900930.b3lyp_6-31g(d).gjf (generated)

000900930.b3lyp_6-31g(d).firefly.inp (generated)

000900930.b3lyp_6-31g(d).smash.inp (generated)

000900930.b3lyp_6-31g(d).nwchem.inp (generated) 000900930.b3lyp_6-31g(d).log.xz 000900930.td-b3lyp_6-31g+(d).inp 000900930.td-b3lyp_6-31g+(d).log.xz

000900930.td-b3lyp_6-31+g(d).qchem.inp (generated)

000900930.td-b3lyp_6-31+g(d).gjf (generated)

000900930.td-b3lyp_6-31+g(d).firefly.inp (generated)

000900930.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000900930.mol 000900930.PUBCHEM 000900930.mol (via Jmol)
000900939.b3lyp_6-31g(d).inp

000900939.b3lyp_6-31g(d).qchem.inp (generated)

000900939.b3lyp_6-31g(d).gjf (generated)

000900939.b3lyp_6-31g(d).firefly.inp (generated)

000900939.b3lyp_6-31g(d).smash.inp (generated)

000900939.b3lyp_6-31g(d).nwchem.inp (generated) 000900939.b3lyp_6-31g(d).log.xz 000900939.td-b3lyp_6-31g+(d).inp 000900939.td-b3lyp_6-31g+(d).log.xz

000900939.td-b3lyp_6-31+g(d).qchem.inp (generated)

000900939.td-b3lyp_6-31+g(d).gjf (generated)

000900939.td-b3lyp_6-31+g(d).firefly.inp (generated)

000900939.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000900939.mol 000900939.PUBCHEM 000900939.mol (via Jmol)
000900944.b3lyp_6-31g(d).inp

000900944.b3lyp_6-31g(d).qchem.inp (generated)

000900944.b3lyp_6-31g(d).gjf (generated)

000900944.b3lyp_6-31g(d).firefly.inp (generated)

000900944.b3lyp_6-31g(d).smash.inp (generated)

000900944.b3lyp_6-31g(d).nwchem.inp (generated) 000900944.b3lyp_6-31g(d).log.xz 000900944.td-b3lyp_6-31g+(d).inp 000900944.td-b3lyp_6-31g+(d).log.xz

000900944.td-b3lyp_6-31+g(d).qchem.inp (generated)

000900944.td-b3lyp_6-31+g(d).gjf (generated)

000900944.td-b3lyp_6-31+g(d).firefly.inp (generated)

000900944.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000900944.mol 000900944.PUBCHEM 000900944.mol (via Jmol)
000900945.b3lyp_6-31g(d).inp

000900945.b3lyp_6-31g(d).qchem.inp (generated)

000900945.b3lyp_6-31g(d).gjf (generated)

000900945.b3lyp_6-31g(d).firefly.inp (generated)

000900945.b3lyp_6-31g(d).smash.inp (generated)

000900945.b3lyp_6-31g(d).nwchem.inp (generated) 000900945.b3lyp_6-31g(d).log.xz 000900945.td-b3lyp_6-31g+(d).inp 000900945.td-b3lyp_6-31g+(d).log.xz

000900945.td-b3lyp_6-31+g(d).qchem.inp (generated)

000900945.td-b3lyp_6-31+g(d).gjf (generated)

000900945.td-b3lyp_6-31+g(d).firefly.inp (generated)

000900945.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000900945.mol 000900945.PUBCHEM 000900945.mol (via Jmol)
000900951.b3lyp_6-31g(d).inp

000900951.b3lyp_6-31g(d).qchem.inp (generated)

000900951.b3lyp_6-31g(d).gjf (generated)

000900951.b3lyp_6-31g(d).firefly.inp (generated)

000900951.b3lyp_6-31g(d).smash.inp (generated)

000900951.b3lyp_6-31g(d).nwchem.inp (generated) 000900951.b3lyp_6-31g(d).log.xz 000900951.mol 000900951.PUBCHEM 000900951.mol (via Jmol)
000900960.b3lyp_6-31g(d).inp

000900960.b3lyp_6-31g(d).qchem.inp (generated)

000900960.b3lyp_6-31g(d).gjf (generated)

000900960.b3lyp_6-31g(d).firefly.inp (generated)

000900960.b3lyp_6-31g(d).smash.inp (generated)

000900960.b3lyp_6-31g(d).nwchem.inp (generated) 000900960.b3lyp_6-31g(d).log.xz 000900960.td-b3lyp_6-31g+(d).inp 000900960.td-b3lyp_6-31g+(d).log.xz

000900960.td-b3lyp_6-31+g(d).qchem.inp (generated)

000900960.td-b3lyp_6-31+g(d).gjf (generated)

000900960.td-b3lyp_6-31+g(d).firefly.inp (generated)

000900960.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000900960.mol 000900960.PUBCHEM 000900960.mol (via Jmol)
000900972.b3lyp_6-31g(d).inp

000900972.b3lyp_6-31g(d).qchem.inp (generated)

000900972.b3lyp_6-31g(d).gjf (generated)

000900972.b3lyp_6-31g(d).firefly.inp (generated)

000900972.b3lyp_6-31g(d).smash.inp (generated)

000900972.b3lyp_6-31g(d).nwchem.inp (generated) 000900972.b3lyp_6-31g(d).log.xz 000900972.td-b3lyp_6-31g+(d).inp 000900972.td-b3lyp_6-31g+(d).log.xz

000900972.td-b3lyp_6-31+g(d).qchem.inp (generated)

000900972.td-b3lyp_6-31+g(d).gjf (generated)

000900972.td-b3lyp_6-31+g(d).firefly.inp (generated)

000900972.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000900972.mol 000900972.PUBCHEM 000900972.mol (via Jmol)
000900973.b3lyp_6-31g(d).inp

000900973.b3lyp_6-31g(d).qchem.inp (generated)

000900973.b3lyp_6-31g(d).gjf (generated)

000900973.b3lyp_6-31g(d).firefly.inp (generated)

000900973.b3lyp_6-31g(d).smash.inp (generated)

000900973.b3lyp_6-31g(d).nwchem.inp (generated) 000900973.b3lyp_6-31g(d).log.xz 000900973.td-b3lyp_6-31g+(d).inp 000900973.td-b3lyp_6-31g+(d).log.xz

000900973.td-b3lyp_6-31+g(d).qchem.inp (generated)

000900973.td-b3lyp_6-31+g(d).gjf (generated)

000900973.td-b3lyp_6-31+g(d).firefly.inp (generated)

000900973.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000900973.mol 000900973.PUBCHEM 000900973.mol (via Jmol)
000900974.b3lyp_6-31g(d).inp

000900974.b3lyp_6-31g(d).qchem.inp (generated)

000900974.b3lyp_6-31g(d).gjf (generated)

000900974.b3lyp_6-31g(d).firefly.inp (generated)

000900974.b3lyp_6-31g(d).smash.inp (generated)

000900974.b3lyp_6-31g(d).nwchem.inp (generated) 000900974.b3lyp_6-31g(d).log.xz 000900974.td-b3lyp_6-31g+(d).inp 000900974.td-b3lyp_6-31g+(d).log.xz

000900974.td-b3lyp_6-31+g(d).qchem.inp (generated)

000900974.td-b3lyp_6-31+g(d).gjf (generated)

000900974.td-b3lyp_6-31+g(d).firefly.inp (generated)

000900974.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000900974.mol 000900974.PUBCHEM 000900974.mol (via Jmol)
000900975.b3lyp_6-31g(d).inp

000900975.b3lyp_6-31g(d).qchem.inp (generated)

000900975.b3lyp_6-31g(d).gjf (generated)

000900975.b3lyp_6-31g(d).firefly.inp (generated)

000900975.b3lyp_6-31g(d).smash.inp (generated)

000900975.b3lyp_6-31g(d).nwchem.inp (generated) 000900975.b3lyp_6-31g(d).log.xz 000900975.td-b3lyp_6-31g+(d).inp 000900975.td-b3lyp_6-31g+(d).log.xz

000900975.td-b3lyp_6-31+g(d).qchem.inp (generated)

000900975.td-b3lyp_6-31+g(d).gjf (generated)

000900975.td-b3lyp_6-31+g(d).firefly.inp (generated)

000900975.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000900975.mol 000900975.PUBCHEM 000900975.mol (via Jmol)
000900986.b3lyp_6-31g(d).inp

000900986.b3lyp_6-31g(d).qchem.inp (generated)

000900986.b3lyp_6-31g(d).gjf (generated)

000900986.b3lyp_6-31g(d).firefly.inp (generated)

000900986.b3lyp_6-31g(d).smash.inp (generated)

000900986.b3lyp_6-31g(d).nwchem.inp (generated) 000900986.b3lyp_6-31g(d).log.xz 000900986.td-b3lyp_6-31g+(d).inp 000900986.td-b3lyp_6-31g+(d).log.xz

000900986.td-b3lyp_6-31+g(d).qchem.inp (generated)

000900986.td-b3lyp_6-31+g(d).gjf (generated)

000900986.td-b3lyp_6-31+g(d).firefly.inp (generated)

000900986.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000900986.mol 000900986.PUBCHEM 000900986.mol (via Jmol)
000900991.b3lyp_6-31g(d).inp

000900991.b3lyp_6-31g(d).qchem.inp (generated)

000900991.b3lyp_6-31g(d).gjf (generated)

000900991.b3lyp_6-31g(d).firefly.inp (generated)

000900991.b3lyp_6-31g(d).smash.inp (generated)

000900991.b3lyp_6-31g(d).nwchem.inp (generated) 000900991.b3lyp_6-31g(d).log.xz 000900991.td-b3lyp_6-31g+(d).inp 000900991.td-b3lyp_6-31g+(d).log.xz

000900991.td-b3lyp_6-31+g(d).qchem.inp (generated)

000900991.td-b3lyp_6-31+g(d).gjf (generated)

000900991.td-b3lyp_6-31+g(d).firefly.inp (generated)

000900991.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000900991.mol 000900991.PUBCHEM 000900991.mol (via Jmol)
000900993.b3lyp_6-31g(d).inp

000900993.b3lyp_6-31g(d).qchem.inp (generated)

000900993.b3lyp_6-31g(d).gjf (generated)

000900993.b3lyp_6-31g(d).firefly.inp (generated)

000900993.b3lyp_6-31g(d).smash.inp (generated)

000900993.b3lyp_6-31g(d).nwchem.inp (generated) 000900993.b3lyp_6-31g(d).log.xz 000900993.mol 000900993.PUBCHEM 000900993.mol (via Jmol)
000901006.b3lyp_6-31g(d).inp

000901006.b3lyp_6-31g(d).qchem.inp (generated)

000901006.b3lyp_6-31g(d).gjf (generated)

000901006.b3lyp_6-31g(d).firefly.inp (generated)

000901006.b3lyp_6-31g(d).smash.inp (generated)

000901006.b3lyp_6-31g(d).nwchem.inp (generated) 000901006.b3lyp_6-31g(d).log.xz 000901006.td-b3lyp_6-31g+(d).inp 000901006.td-b3lyp_6-31g+(d).log.xz

000901006.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901006.td-b3lyp_6-31+g(d).gjf (generated)

000901006.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901006.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901006.mol 000901006.PUBCHEM 000901006.mol (via Jmol)
000901008.b3lyp_6-31g(d).inp

000901008.b3lyp_6-31g(d).qchem.inp (generated)

000901008.b3lyp_6-31g(d).gjf (generated)

000901008.b3lyp_6-31g(d).firefly.inp (generated)

000901008.b3lyp_6-31g(d).smash.inp (generated)

000901008.b3lyp_6-31g(d).nwchem.inp (generated) 000901008.b3lyp_6-31g(d).log.xz 000901008.mol 000901008.PUBCHEM 000901008.mol (via Jmol)
000901010.b3lyp_6-31g(d).inp

000901010.b3lyp_6-31g(d).qchem.inp (generated)

000901010.b3lyp_6-31g(d).gjf (generated)

000901010.b3lyp_6-31g(d).firefly.inp (generated)

000901010.b3lyp_6-31g(d).smash.inp (generated)

000901010.b3lyp_6-31g(d).nwchem.inp (generated) 000901010.b3lyp_6-31g(d).log.xz 000901010.td-b3lyp_6-31g+(d).inp 000901010.td-b3lyp_6-31g+(d).log.xz

000901010.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901010.td-b3lyp_6-31+g(d).gjf (generated)

000901010.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901010.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901010.mol 000901010.PUBCHEM 000901010.mol (via Jmol)
000901013.b3lyp_6-31g(d).inp

000901013.b3lyp_6-31g(d).qchem.inp (generated)

000901013.b3lyp_6-31g(d).gjf (generated)

000901013.b3lyp_6-31g(d).firefly.inp (generated)

000901013.b3lyp_6-31g(d).smash.inp (generated)

000901013.b3lyp_6-31g(d).nwchem.inp (generated) 000901013.b3lyp_6-31g(d).log.xz 000901013.td-b3lyp_6-31g+(d).inp 000901013.td-b3lyp_6-31g+(d).log.xz

000901013.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901013.td-b3lyp_6-31+g(d).gjf (generated)

000901013.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901013.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901013.mol 000901013.PUBCHEM 000901013.mol (via Jmol)
000901019.b3lyp_6-31g(d).inp

000901019.b3lyp_6-31g(d).qchem.inp (generated)

000901019.b3lyp_6-31g(d).gjf (generated)

000901019.b3lyp_6-31g(d).firefly.inp (generated)

000901019.b3lyp_6-31g(d).smash.inp (generated)

000901019.b3lyp_6-31g(d).nwchem.inp (generated) 000901019.b3lyp_6-31g(d).log.xz 000901019.td-b3lyp_6-31g+(d).inp 000901019.td-b3lyp_6-31g+(d).log.xz

000901019.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901019.td-b3lyp_6-31+g(d).gjf (generated)

000901019.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901019.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901019.mol 000901019.PUBCHEM 000901019.mol (via Jmol)
000901029.b3lyp_6-31g(d).inp

000901029.b3lyp_6-31g(d).qchem.inp (generated)

000901029.b3lyp_6-31g(d).gjf (generated)

000901029.b3lyp_6-31g(d).firefly.inp (generated)

000901029.b3lyp_6-31g(d).smash.inp (generated)

000901029.b3lyp_6-31g(d).nwchem.inp (generated) 000901029.b3lyp_6-31g(d).log.xz 000901029.td-b3lyp_6-31g+(d).inp 000901029.td-b3lyp_6-31g+(d).log.xz

000901029.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901029.td-b3lyp_6-31+g(d).gjf (generated)

000901029.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901029.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901029.mol 000901029.PUBCHEM 000901029.mol (via Jmol)
000901031.b3lyp_6-31g(d).inp

000901031.b3lyp_6-31g(d).qchem.inp (generated)

000901031.b3lyp_6-31g(d).gjf (generated)

000901031.b3lyp_6-31g(d).firefly.inp (generated)

000901031.b3lyp_6-31g(d).smash.inp (generated)

000901031.b3lyp_6-31g(d).nwchem.inp (generated) 000901031.b3lyp_6-31g(d).log.xz 000901031.td-b3lyp_6-31g+(d).inp 000901031.td-b3lyp_6-31g+(d).log.xz

000901031.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901031.td-b3lyp_6-31+g(d).gjf (generated)

000901031.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901031.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901031.mol 000901031.PUBCHEM 000901031.mol (via Jmol)
000901039.b3lyp_6-31g(d).inp

000901039.b3lyp_6-31g(d).qchem.inp (generated)

000901039.b3lyp_6-31g(d).gjf (generated)

000901039.b3lyp_6-31g(d).firefly.inp (generated)

000901039.b3lyp_6-31g(d).smash.inp (generated)

000901039.b3lyp_6-31g(d).nwchem.inp (generated) 000901039.b3lyp_6-31g(d).log.xz 000901039.td-b3lyp_6-31g+(d).inp 000901039.td-b3lyp_6-31g+(d).log.xz

000901039.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901039.td-b3lyp_6-31+g(d).gjf (generated)

000901039.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901039.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901039.mol 000901039.PUBCHEM 000901039.mol (via Jmol)
000901046.b3lyp_6-31g(d).inp

000901046.b3lyp_6-31g(d).qchem.inp (generated)

000901046.b3lyp_6-31g(d).gjf (generated)

000901046.b3lyp_6-31g(d).firefly.inp (generated)

000901046.b3lyp_6-31g(d).smash.inp (generated)

000901046.b3lyp_6-31g(d).nwchem.inp (generated) 000901046.b3lyp_6-31g(d).log.xz 000901046.td-b3lyp_6-31g+(d).inp 000901046.td-b3lyp_6-31g+(d).log.xz

000901046.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901046.td-b3lyp_6-31+g(d).gjf (generated)

000901046.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901046.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901046.mol 000901046.PUBCHEM 000901046.mol (via Jmol)
000901061.b3lyp_6-31g(d).inp

000901061.b3lyp_6-31g(d).qchem.inp (generated)

000901061.b3lyp_6-31g(d).gjf (generated)

000901061.b3lyp_6-31g(d).firefly.inp (generated)

000901061.b3lyp_6-31g(d).smash.inp (generated)

000901061.b3lyp_6-31g(d).nwchem.inp (generated) 000901061.b3lyp_6-31g(d).log.xz 000901061.td-b3lyp_6-31g+(d).inp 000901061.td-b3lyp_6-31g+(d).log.xz

000901061.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901061.td-b3lyp_6-31+g(d).gjf (generated)

000901061.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901061.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901061.mol 000901061.PUBCHEM 000901061.mol (via Jmol)
000901070.b3lyp_6-31g(d).inp

000901070.b3lyp_6-31g(d).qchem.inp (generated)

000901070.b3lyp_6-31g(d).gjf (generated)

000901070.b3lyp_6-31g(d).firefly.inp (generated)

000901070.b3lyp_6-31g(d).smash.inp (generated)

000901070.b3lyp_6-31g(d).nwchem.inp (generated) 000901070.b3lyp_6-31g(d).log.xz 000901070.td-b3lyp_6-31g+(d).inp 000901070.td-b3lyp_6-31g+(d).log.xz

000901070.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901070.td-b3lyp_6-31+g(d).gjf (generated)

000901070.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901070.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901070.mol 000901070.PUBCHEM 000901070.mol (via Jmol)
000901071.b3lyp_6-31g(d).inp

000901071.b3lyp_6-31g(d).qchem.inp (generated)

000901071.b3lyp_6-31g(d).gjf (generated)

000901071.b3lyp_6-31g(d).firefly.inp (generated)

000901071.b3lyp_6-31g(d).smash.inp (generated)

000901071.b3lyp_6-31g(d).nwchem.inp (generated) 000901071.b3lyp_6-31g(d).log.xz 000901071.td-b3lyp_6-31g+(d).inp 000901071.td-b3lyp_6-31g+(d).log.xz

000901071.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901071.td-b3lyp_6-31+g(d).gjf (generated)

000901071.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901071.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901071.mol 000901071.PUBCHEM 000901071.mol (via Jmol)
000901072.b3lyp_6-31g(d).inp

000901072.b3lyp_6-31g(d).qchem.inp (generated)

000901072.b3lyp_6-31g(d).gjf (generated)

000901072.b3lyp_6-31g(d).firefly.inp (generated)

000901072.b3lyp_6-31g(d).smash.inp (generated)

000901072.b3lyp_6-31g(d).nwchem.inp (generated) 000901072.b3lyp_6-31g(d).log.xz 000901072.td-b3lyp_6-31g+(d).inp 000901072.td-b3lyp_6-31g+(d).log.xz

000901072.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901072.td-b3lyp_6-31+g(d).gjf (generated)

000901072.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901072.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901072.mol 000901072.PUBCHEM 000901072.mol (via Jmol)
000901079.b3lyp_6-31g(d).inp

000901079.b3lyp_6-31g(d).qchem.inp (generated)

000901079.b3lyp_6-31g(d).gjf (generated)

000901079.b3lyp_6-31g(d).firefly.inp (generated)

000901079.b3lyp_6-31g(d).smash.inp (generated)

000901079.b3lyp_6-31g(d).nwchem.inp (generated) 000901079.b3lyp_6-31g(d).log.xz 000901079.td-b3lyp_6-31g+(d).inp 000901079.td-b3lyp_6-31g+(d).log.xz

000901079.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901079.td-b3lyp_6-31+g(d).gjf (generated)

000901079.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901079.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901079.mol 000901079.PUBCHEM 000901079.mol (via Jmol)
000901088.b3lyp_6-31g(d).inp

000901088.b3lyp_6-31g(d).qchem.inp (generated)

000901088.b3lyp_6-31g(d).gjf (generated)

000901088.b3lyp_6-31g(d).firefly.inp (generated)

000901088.b3lyp_6-31g(d).smash.inp (generated)

000901088.b3lyp_6-31g(d).nwchem.inp (generated) 000901088.b3lyp_6-31g(d).log.xz 000901088.td-b3lyp_6-31g+(d).inp 000901088.td-b3lyp_6-31g+(d).log.xz

000901088.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901088.td-b3lyp_6-31+g(d).gjf (generated)

000901088.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901088.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901088.mol 000901088.PUBCHEM 000901088.mol (via Jmol)
000901090.b3lyp_6-31g(d).inp

000901090.b3lyp_6-31g(d).qchem.inp (generated)

000901090.b3lyp_6-31g(d).gjf (generated)

000901090.b3lyp_6-31g(d).firefly.inp (generated)

000901090.b3lyp_6-31g(d).smash.inp (generated)

000901090.b3lyp_6-31g(d).nwchem.inp (generated) 000901090.b3lyp_6-31g(d).log.xz 000901090.td-b3lyp_6-31g+(d).inp 000901090.td-b3lyp_6-31g+(d).log.xz

000901090.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901090.td-b3lyp_6-31+g(d).gjf (generated)

000901090.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901090.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901090.mol 000901090.PUBCHEM 000901090.mol (via Jmol)
000901104.b3lyp_6-31g(d).inp

000901104.b3lyp_6-31g(d).qchem.inp (generated)

000901104.b3lyp_6-31g(d).gjf (generated)

000901104.b3lyp_6-31g(d).firefly.inp (generated)

000901104.b3lyp_6-31g(d).smash.inp (generated)

000901104.b3lyp_6-31g(d).nwchem.inp (generated) 000901104.b3lyp_6-31g(d).log.xz 000901104.td-b3lyp_6-31g+(d).inp 000901104.td-b3lyp_6-31g+(d).log.xz

000901104.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901104.td-b3lyp_6-31+g(d).gjf (generated)

000901104.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901104.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901104.mol 000901104.PUBCHEM 000901104.mol (via Jmol)
000901114.b3lyp_6-31g(d).inp

000901114.b3lyp_6-31g(d).qchem.inp (generated)

000901114.b3lyp_6-31g(d).gjf (generated)

000901114.b3lyp_6-31g(d).firefly.inp (generated)

000901114.b3lyp_6-31g(d).smash.inp (generated)

000901114.b3lyp_6-31g(d).nwchem.inp (generated) 000901114.b3lyp_6-31g(d).log.xz 000901114.td-b3lyp_6-31g+(d).inp 000901114.td-b3lyp_6-31g+(d).log.xz

000901114.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901114.td-b3lyp_6-31+g(d).gjf (generated)

000901114.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901114.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901114.mol 000901114.PUBCHEM 000901114.mol (via Jmol)
000901118.b3lyp_6-31g(d).inp

000901118.b3lyp_6-31g(d).qchem.inp (generated)

000901118.b3lyp_6-31g(d).gjf (generated)

000901118.b3lyp_6-31g(d).firefly.inp (generated)

000901118.b3lyp_6-31g(d).smash.inp (generated)

000901118.b3lyp_6-31g(d).nwchem.inp (generated) 000901118.b3lyp_6-31g(d).log.xz 000901118.td-b3lyp_6-31g+(d).inp 000901118.td-b3lyp_6-31g+(d).log.xz

000901118.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901118.td-b3lyp_6-31+g(d).gjf (generated)

000901118.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901118.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901118.mol 000901118.PUBCHEM 000901118.mol (via Jmol)
000901125.b3lyp_6-31g(d).inp

000901125.b3lyp_6-31g(d).qchem.inp (generated)

000901125.b3lyp_6-31g(d).gjf (generated)

000901125.b3lyp_6-31g(d).firefly.inp (generated)

000901125.b3lyp_6-31g(d).smash.inp (generated)

000901125.b3lyp_6-31g(d).nwchem.inp (generated) 000901125.b3lyp_6-31g(d).log.xz 000901125.td-b3lyp_6-31g+(d).inp 000901125.td-b3lyp_6-31g+(d).log.xz

000901125.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901125.td-b3lyp_6-31+g(d).gjf (generated)

000901125.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901125.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901125.mol 000901125.PUBCHEM 000901125.mol (via Jmol)
000901132.b3lyp_6-31g(d).inp

000901132.b3lyp_6-31g(d).qchem.inp (generated)

000901132.b3lyp_6-31g(d).gjf (generated)

000901132.b3lyp_6-31g(d).firefly.inp (generated)

000901132.b3lyp_6-31g(d).smash.inp (generated)

000901132.b3lyp_6-31g(d).nwchem.inp (generated) 000901132.b3lyp_6-31g(d).log.xz 000901132.td-b3lyp_6-31g+(d).inp 000901132.td-b3lyp_6-31g+(d).log.xz

000901132.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901132.td-b3lyp_6-31+g(d).gjf (generated)

000901132.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901132.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901132.mol 000901132.PUBCHEM 000901132.mol (via Jmol)
000901133.b3lyp_6-31g(d).inp

000901133.b3lyp_6-31g(d).qchem.inp (generated)

000901133.b3lyp_6-31g(d).gjf (generated)

000901133.b3lyp_6-31g(d).firefly.inp (generated)

000901133.b3lyp_6-31g(d).smash.inp (generated)

000901133.b3lyp_6-31g(d).nwchem.inp (generated) 000901133.b3lyp_6-31g(d).log.xz 000901133.td-b3lyp_6-31g+(d).inp 000901133.td-b3lyp_6-31g+(d).log.xz

000901133.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901133.td-b3lyp_6-31+g(d).gjf (generated)

000901133.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901133.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901133.mol 000901133.PUBCHEM 000901133.mol (via Jmol)
000901144.b3lyp_6-31g(d).inp

000901144.b3lyp_6-31g(d).qchem.inp (generated)

000901144.b3lyp_6-31g(d).gjf (generated)

000901144.b3lyp_6-31g(d).firefly.inp (generated)

000901144.b3lyp_6-31g(d).smash.inp (generated)

000901144.b3lyp_6-31g(d).nwchem.inp (generated) 000901144.b3lyp_6-31g(d).log.xz 000901144.td-b3lyp_6-31g+(d).inp 000901144.td-b3lyp_6-31g+(d).log.xz

000901144.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901144.td-b3lyp_6-31+g(d).gjf (generated)

000901144.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901144.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901144.mol 000901144.PUBCHEM 000901144.mol (via Jmol)
000901185.b3lyp_6-31g(d).inp

000901185.b3lyp_6-31g(d).qchem.inp (generated)

000901185.b3lyp_6-31g(d).gjf (generated)

000901185.b3lyp_6-31g(d).firefly.inp (generated)

000901185.b3lyp_6-31g(d).smash.inp (generated)

000901185.b3lyp_6-31g(d).nwchem.inp (generated) 000901185.b3lyp_6-31g(d).log.xz 000901185.td-b3lyp_6-31g+(d).inp 000901185.td-b3lyp_6-31g+(d).log.xz

000901185.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901185.td-b3lyp_6-31+g(d).gjf (generated)

000901185.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901185.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901185.mol 000901185.PUBCHEM 000901185.mol (via Jmol)
000901191.b3lyp_6-31g(d).inp

000901191.b3lyp_6-31g(d).qchem.inp (generated)

000901191.b3lyp_6-31g(d).gjf (generated)

000901191.b3lyp_6-31g(d).firefly.inp (generated)

000901191.b3lyp_6-31g(d).smash.inp (generated)

000901191.b3lyp_6-31g(d).nwchem.inp (generated) 000901191.b3lyp_6-31g(d).log.xz 000901191.mol 000901191.PUBCHEM 000901191.mol (via Jmol)
000901192.b3lyp_6-31g(d).inp

000901192.b3lyp_6-31g(d).qchem.inp (generated)

000901192.b3lyp_6-31g(d).gjf (generated)

000901192.b3lyp_6-31g(d).firefly.inp (generated)

000901192.b3lyp_6-31g(d).smash.inp (generated)

000901192.b3lyp_6-31g(d).nwchem.inp (generated) 000901192.b3lyp_6-31g(d).log.xz 000901192.mol 000901192.PUBCHEM 000901192.mol (via Jmol)
000901270.b3lyp_6-31g(d).inp

000901270.b3lyp_6-31g(d).qchem.inp (generated)

000901270.b3lyp_6-31g(d).gjf (generated)

000901270.b3lyp_6-31g(d).firefly.inp (generated)

000901270.b3lyp_6-31g(d).smash.inp (generated)

000901270.b3lyp_6-31g(d).nwchem.inp (generated) 000901270.b3lyp_6-31g(d).log.xz 000901270.td-b3lyp_6-31g+(d).inp 000901270.td-b3lyp_6-31g+(d).log.xz

000901270.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901270.td-b3lyp_6-31+g(d).gjf (generated)

000901270.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901270.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901270.mol 000901270.PUBCHEM 000901270.mol (via Jmol)
000901271.b3lyp_6-31g(d).inp

000901271.b3lyp_6-31g(d).qchem.inp (generated)

000901271.b3lyp_6-31g(d).gjf (generated)

000901271.b3lyp_6-31g(d).firefly.inp (generated)

000901271.b3lyp_6-31g(d).smash.inp (generated)

000901271.b3lyp_6-31g(d).nwchem.inp (generated) 000901271.b3lyp_6-31g(d).log.xz 000901271.td-b3lyp_6-31g+(d).inp 000901271.td-b3lyp_6-31g+(d).log.xz

000901271.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901271.td-b3lyp_6-31+g(d).gjf (generated)

000901271.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901271.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901271.mol 000901271.PUBCHEM 000901271.mol (via Jmol)
000901286.b3lyp_6-31g(d).inp

000901286.b3lyp_6-31g(d).qchem.inp (generated)

000901286.b3lyp_6-31g(d).gjf (generated)

000901286.b3lyp_6-31g(d).firefly.inp (generated)

000901286.b3lyp_6-31g(d).smash.inp (generated)

000901286.b3lyp_6-31g(d).nwchem.inp (generated) 000901286.b3lyp_6-31g(d).log.xz 000901286.td-b3lyp_6-31g+(d).inp 000901286.td-b3lyp_6-31g+(d).log.xz

000901286.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901286.td-b3lyp_6-31+g(d).gjf (generated)

000901286.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901286.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901286.mol 000901286.PUBCHEM 000901286.mol (via Jmol)
000901294.b3lyp_6-31g(d).inp

000901294.b3lyp_6-31g(d).qchem.inp (generated)

000901294.b3lyp_6-31g(d).gjf (generated)

000901294.b3lyp_6-31g(d).firefly.inp (generated)

000901294.b3lyp_6-31g(d).smash.inp (generated)

000901294.b3lyp_6-31g(d).nwchem.inp (generated) 000901294.b3lyp_6-31g(d).log.xz 000901294.td-b3lyp_6-31g+(d).inp 000901294.td-b3lyp_6-31g+(d).log.xz

000901294.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901294.td-b3lyp_6-31+g(d).gjf (generated)

000901294.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901294.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901294.mol 000901294.PUBCHEM 000901294.mol (via Jmol)
000901296.b3lyp_6-31g(d).inp

000901296.b3lyp_6-31g(d).qchem.inp (generated)

000901296.b3lyp_6-31g(d).gjf (generated)

000901296.b3lyp_6-31g(d).firefly.inp (generated)

000901296.b3lyp_6-31g(d).smash.inp (generated)

000901296.b3lyp_6-31g(d).nwchem.inp (generated) 000901296.b3lyp_6-31g(d).log.xz 000901296.td-b3lyp_6-31g+(d).inp 000901296.td-b3lyp_6-31g+(d).log.xz

000901296.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901296.td-b3lyp_6-31+g(d).gjf (generated)

000901296.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901296.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901296.mol 000901296.PUBCHEM 000901296.mol (via Jmol)
000901333.b3lyp_6-31g(d).inp

000901333.b3lyp_6-31g(d).qchem.inp (generated)

000901333.b3lyp_6-31g(d).gjf (generated)

000901333.b3lyp_6-31g(d).firefly.inp (generated)

000901333.b3lyp_6-31g(d).smash.inp (generated)

000901333.b3lyp_6-31g(d).nwchem.inp (generated) 000901333.b3lyp_6-31g(d).log.xz 000901333.td-b3lyp_6-31g+(d).inp 000901333.td-b3lyp_6-31g+(d).log.xz

000901333.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901333.td-b3lyp_6-31+g(d).gjf (generated)

000901333.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901333.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901333.mol 000901333.PUBCHEM 000901333.mol (via Jmol)
000901352.b3lyp_6-31g(d).inp

000901352.b3lyp_6-31g(d).qchem.inp (generated)

000901352.b3lyp_6-31g(d).gjf (generated)

000901352.b3lyp_6-31g(d).firefly.inp (generated)

000901352.b3lyp_6-31g(d).smash.inp (generated)

000901352.b3lyp_6-31g(d).nwchem.inp (generated) 000901352.b3lyp_6-31g(d).log.xz 000901352.mol 000901352.PUBCHEM 000901352.mol (via Jmol)
000901353.b3lyp_6-31g(d).inp

000901353.b3lyp_6-31g(d).qchem.inp (generated)

000901353.b3lyp_6-31g(d).gjf (generated)

000901353.b3lyp_6-31g(d).firefly.inp (generated)

000901353.b3lyp_6-31g(d).smash.inp (generated)

000901353.b3lyp_6-31g(d).nwchem.inp (generated) 000901353.b3lyp_6-31g(d).log.xz 000901353.td-b3lyp_6-31g+(d).inp 000901353.td-b3lyp_6-31g+(d).log.xz

000901353.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901353.td-b3lyp_6-31+g(d).gjf (generated)

000901353.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901353.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901353.mol 000901353.PUBCHEM 000901353.mol (via Jmol)
000901362.b3lyp_6-31g(d).inp

000901362.b3lyp_6-31g(d).qchem.inp (generated)

000901362.b3lyp_6-31g(d).gjf (generated)

000901362.b3lyp_6-31g(d).firefly.inp (generated)

000901362.b3lyp_6-31g(d).smash.inp (generated)

000901362.b3lyp_6-31g(d).nwchem.inp (generated) 000901362.b3lyp_6-31g(d).log.xz 000901362.td-b3lyp_6-31g+(d).inp 000901362.td-b3lyp_6-31g+(d).log.xz

000901362.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901362.td-b3lyp_6-31+g(d).gjf (generated)

000901362.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901362.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901362.mol 000901362.PUBCHEM 000901362.mol (via Jmol)
000901363.b3lyp_6-31g(d).inp

000901363.b3lyp_6-31g(d).qchem.inp (generated)

000901363.b3lyp_6-31g(d).gjf (generated)

000901363.b3lyp_6-31g(d).firefly.inp (generated)

000901363.b3lyp_6-31g(d).smash.inp (generated)

000901363.b3lyp_6-31g(d).nwchem.inp (generated) 000901363.b3lyp_6-31g(d).log.xz 000901363.td-b3lyp_6-31g+(d).inp 000901363.td-b3lyp_6-31g+(d).log.xz

000901363.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901363.td-b3lyp_6-31+g(d).gjf (generated)

000901363.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901363.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901363.mol 000901363.PUBCHEM 000901363.mol (via Jmol)
000901364.b3lyp_6-31g(d).inp

000901364.b3lyp_6-31g(d).qchem.inp (generated)

000901364.b3lyp_6-31g(d).gjf (generated)

000901364.b3lyp_6-31g(d).firefly.inp (generated)

000901364.b3lyp_6-31g(d).smash.inp (generated)

000901364.b3lyp_6-31g(d).nwchem.inp (generated) 000901364.b3lyp_6-31g(d).log.xz 000901364.td-b3lyp_6-31g+(d).inp 000901364.td-b3lyp_6-31g+(d).log.xz

000901364.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901364.td-b3lyp_6-31+g(d).gjf (generated)

000901364.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901364.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901364.mol 000901364.PUBCHEM 000901364.mol (via Jmol)
000901365.b3lyp_6-31g(d).inp

000901365.b3lyp_6-31g(d).qchem.inp (generated)

000901365.b3lyp_6-31g(d).gjf (generated)

000901365.b3lyp_6-31g(d).firefly.inp (generated)

000901365.b3lyp_6-31g(d).smash.inp (generated)

000901365.b3lyp_6-31g(d).nwchem.inp (generated) 000901365.b3lyp_6-31g(d).log.xz 000901365.td-b3lyp_6-31g+(d).inp 000901365.td-b3lyp_6-31g+(d).log.xz

000901365.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901365.td-b3lyp_6-31+g(d).gjf (generated)

000901365.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901365.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901365.mol 000901365.PUBCHEM 000901365.mol (via Jmol)
000901366.b3lyp_6-31g(d).inp

000901366.b3lyp_6-31g(d).qchem.inp (generated)

000901366.b3lyp_6-31g(d).gjf (generated)

000901366.b3lyp_6-31g(d).firefly.inp (generated)

000901366.b3lyp_6-31g(d).smash.inp (generated)

000901366.b3lyp_6-31g(d).nwchem.inp (generated) 000901366.b3lyp_6-31g(d).log.xz 000901366.td-b3lyp_6-31g+(d).inp 000901366.td-b3lyp_6-31g+(d).log.xz

000901366.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901366.td-b3lyp_6-31+g(d).gjf (generated)

000901366.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901366.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901366.mol 000901366.PUBCHEM 000901366.mol (via Jmol)
000901368.b3lyp_6-31g(d).inp

000901368.b3lyp_6-31g(d).qchem.inp (generated)

000901368.b3lyp_6-31g(d).gjf (generated)

000901368.b3lyp_6-31g(d).firefly.inp (generated)

000901368.b3lyp_6-31g(d).smash.inp (generated)

000901368.b3lyp_6-31g(d).nwchem.inp (generated) 000901368.b3lyp_6-31g(d).log.xz 000901368.mol 000901368.PUBCHEM 000901368.mol (via Jmol)
000901369.b3lyp_6-31g(d).inp

000901369.b3lyp_6-31g(d).qchem.inp (generated)

000901369.b3lyp_6-31g(d).gjf (generated)

000901369.b3lyp_6-31g(d).firefly.inp (generated)

000901369.b3lyp_6-31g(d).smash.inp (generated)

000901369.b3lyp_6-31g(d).nwchem.inp (generated) 000901369.b3lyp_6-31g(d).log.xz 000901369.td-b3lyp_6-31g+(d).inp 000901369.td-b3lyp_6-31g+(d).log.xz

000901369.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901369.td-b3lyp_6-31+g(d).gjf (generated)

000901369.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901369.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901369.mol 000901369.PUBCHEM 000901369.mol (via Jmol)
000901370.b3lyp_6-31g(d).inp

000901370.b3lyp_6-31g(d).qchem.inp (generated)

000901370.b3lyp_6-31g(d).gjf (generated)

000901370.b3lyp_6-31g(d).firefly.inp (generated)

000901370.b3lyp_6-31g(d).smash.inp (generated)

000901370.b3lyp_6-31g(d).nwchem.inp (generated) 000901370.b3lyp_6-31g(d).log.xz 000901370.mol 000901370.PUBCHEM 000901370.mol (via Jmol)
000901371.b3lyp_6-31g(d).inp

000901371.b3lyp_6-31g(d).qchem.inp (generated)

000901371.b3lyp_6-31g(d).gjf (generated)

000901371.b3lyp_6-31g(d).firefly.inp (generated)

000901371.b3lyp_6-31g(d).smash.inp (generated)

000901371.b3lyp_6-31g(d).nwchem.inp (generated) 000901371.b3lyp_6-31g(d).log.xz 000901371.mol 000901371.PUBCHEM 000901371.mol (via Jmol)
000901372.b3lyp_6-31g(d).inp

000901372.b3lyp_6-31g(d).qchem.inp (generated)

000901372.b3lyp_6-31g(d).gjf (generated)

000901372.b3lyp_6-31g(d).firefly.inp (generated)

000901372.b3lyp_6-31g(d).smash.inp (generated)

000901372.b3lyp_6-31g(d).nwchem.inp (generated) 000901372.b3lyp_6-31g(d).log.xz 000901372.mol 000901372.PUBCHEM 000901372.mol (via Jmol)
000901374.b3lyp_6-31g(d).inp

000901374.b3lyp_6-31g(d).qchem.inp (generated)

000901374.b3lyp_6-31g(d).gjf (generated)

000901374.b3lyp_6-31g(d).firefly.inp (generated)

000901374.b3lyp_6-31g(d).smash.inp (generated)

000901374.b3lyp_6-31g(d).nwchem.inp (generated) 000901374.b3lyp_6-31g(d).log.xz 000901374.td-b3lyp_6-31g+(d).inp 000901374.td-b3lyp_6-31g+(d).log.xz

000901374.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901374.td-b3lyp_6-31+g(d).gjf (generated)

000901374.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901374.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901374.mol 000901374.PUBCHEM 000901374.mol (via Jmol)
000901375.b3lyp_6-31g(d).inp

000901375.b3lyp_6-31g(d).qchem.inp (generated)

000901375.b3lyp_6-31g(d).gjf (generated)

000901375.b3lyp_6-31g(d).firefly.inp (generated)

000901375.b3lyp_6-31g(d).smash.inp (generated)

000901375.b3lyp_6-31g(d).nwchem.inp (generated) 000901375.b3lyp_6-31g(d).log.xz 000901375.td-b3lyp_6-31g+(d).inp 000901375.td-b3lyp_6-31g+(d).log.xz

000901375.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901375.td-b3lyp_6-31+g(d).gjf (generated)

000901375.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901375.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901375.mol 000901375.PUBCHEM 000901375.mol (via Jmol)
000901379.b3lyp_6-31g(d).inp

000901379.b3lyp_6-31g(d).qchem.inp (generated)

000901379.b3lyp_6-31g(d).gjf (generated)

000901379.b3lyp_6-31g(d).firefly.inp (generated)

000901379.b3lyp_6-31g(d).smash.inp (generated)

000901379.b3lyp_6-31g(d).nwchem.inp (generated) 000901379.b3lyp_6-31g(d).log.xz 000901379.td-b3lyp_6-31g+(d).inp 000901379.td-b3lyp_6-31g+(d).log.xz

000901379.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901379.td-b3lyp_6-31+g(d).gjf (generated)

000901379.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901379.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901379.mol 000901379.PUBCHEM 000901379.mol (via Jmol)
000901385.b3lyp_6-31g(d).inp

000901385.b3lyp_6-31g(d).qchem.inp (generated)

000901385.b3lyp_6-31g(d).gjf (generated)

000901385.b3lyp_6-31g(d).firefly.inp (generated)

000901385.b3lyp_6-31g(d).smash.inp (generated)

000901385.b3lyp_6-31g(d).nwchem.inp (generated) 000901385.b3lyp_6-31g(d).log.xz 000901385.td-b3lyp_6-31g+(d).inp 000901385.td-b3lyp_6-31g+(d).log.xz

000901385.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901385.td-b3lyp_6-31+g(d).gjf (generated)

000901385.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901385.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901385.mol 000901385.PUBCHEM 000901385.mol (via Jmol)
000901386.b3lyp_6-31g(d).inp

000901386.b3lyp_6-31g(d).qchem.inp (generated)

000901386.b3lyp_6-31g(d).gjf (generated)

000901386.b3lyp_6-31g(d).firefly.inp (generated)

000901386.b3lyp_6-31g(d).smash.inp (generated)

000901386.b3lyp_6-31g(d).nwchem.inp (generated) 000901386.b3lyp_6-31g(d).log.xz 000901386.td-b3lyp_6-31g+(d).inp 000901386.td-b3lyp_6-31g+(d).log.xz

000901386.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901386.td-b3lyp_6-31+g(d).gjf (generated)

000901386.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901386.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901386.mol 000901386.PUBCHEM 000901386.mol (via Jmol)
000901387.b3lyp_6-31g(d).inp

000901387.b3lyp_6-31g(d).qchem.inp (generated)

000901387.b3lyp_6-31g(d).gjf (generated)

000901387.b3lyp_6-31g(d).firefly.inp (generated)

000901387.b3lyp_6-31g(d).smash.inp (generated)

000901387.b3lyp_6-31g(d).nwchem.inp (generated) 000901387.b3lyp_6-31g(d).log.xz 000901387.mol 000901387.PUBCHEM 000901387.mol (via Jmol)
000901396.b3lyp_6-31g(d).inp

000901396.b3lyp_6-31g(d).qchem.inp (generated)

000901396.b3lyp_6-31g(d).gjf (generated)

000901396.b3lyp_6-31g(d).firefly.inp (generated)

000901396.b3lyp_6-31g(d).smash.inp (generated)

000901396.b3lyp_6-31g(d).nwchem.inp (generated) 000901396.b3lyp_6-31g(d).log.xz 000901396.mol 000901396.PUBCHEM 000901396.mol (via Jmol)
000901406.b3lyp_6-31g(d).inp

000901406.b3lyp_6-31g(d).qchem.inp (generated)

000901406.b3lyp_6-31g(d).gjf (generated)

000901406.b3lyp_6-31g(d).firefly.inp (generated)

000901406.b3lyp_6-31g(d).smash.inp (generated)

000901406.b3lyp_6-31g(d).nwchem.inp (generated) 000901406.b3lyp_6-31g(d).log.xz 000901406.td-b3lyp_6-31g+(d).inp 000901406.td-b3lyp_6-31g+(d).log.xz

000901406.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901406.td-b3lyp_6-31+g(d).gjf (generated)

000901406.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901406.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901406.mol 000901406.PUBCHEM 000901406.mol (via Jmol)
000901407.b3lyp_6-31g(d).inp

000901407.b3lyp_6-31g(d).qchem.inp (generated)

000901407.b3lyp_6-31g(d).gjf (generated)

000901407.b3lyp_6-31g(d).firefly.inp (generated)

000901407.b3lyp_6-31g(d).smash.inp (generated)

000901407.b3lyp_6-31g(d).nwchem.inp (generated) 000901407.b3lyp_6-31g(d).log.xz 000901407.td-b3lyp_6-31g+(d).inp 000901407.td-b3lyp_6-31g+(d).log.xz

000901407.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901407.td-b3lyp_6-31+g(d).gjf (generated)

000901407.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901407.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901407.mol 000901407.PUBCHEM 000901407.mol (via Jmol)
000901419.b3lyp_6-31g(d).inp

000901419.b3lyp_6-31g(d).qchem.inp (generated)

000901419.b3lyp_6-31g(d).gjf (generated)

000901419.b3lyp_6-31g(d).firefly.inp (generated)

000901419.b3lyp_6-31g(d).smash.inp (generated)

000901419.b3lyp_6-31g(d).nwchem.inp (generated) 000901419.b3lyp_6-31g(d).log.xz 000901419.mol 000901419.PUBCHEM 000901419.mol (via Jmol)
000901420.b3lyp_6-31g(d).inp

000901420.b3lyp_6-31g(d).qchem.inp (generated)

000901420.b3lyp_6-31g(d).gjf (generated)

000901420.b3lyp_6-31g(d).firefly.inp (generated)

000901420.b3lyp_6-31g(d).smash.inp (generated)

000901420.b3lyp_6-31g(d).nwchem.inp (generated) 000901420.b3lyp_6-31g(d).log.xz 000901420.td-b3lyp_6-31g+(d).inp 000901420.td-b3lyp_6-31g+(d).log.xz

000901420.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901420.td-b3lyp_6-31+g(d).gjf (generated)

000901420.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901420.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901420.mol 000901420.PUBCHEM 000901420.mol (via Jmol)
000901421.b3lyp_6-31g(d).inp

000901421.b3lyp_6-31g(d).qchem.inp (generated)

000901421.b3lyp_6-31g(d).gjf (generated)

000901421.b3lyp_6-31g(d).firefly.inp (generated)

000901421.b3lyp_6-31g(d).smash.inp (generated)

000901421.b3lyp_6-31g(d).nwchem.inp (generated) 000901421.b3lyp_6-31g(d).log.xz 000901421.td-b3lyp_6-31g+(d).inp 000901421.td-b3lyp_6-31g+(d).log.xz

000901421.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901421.td-b3lyp_6-31+g(d).gjf (generated)

000901421.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901421.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901421.mol 000901421.PUBCHEM 000901421.mol (via Jmol)
000901422.b3lyp_6-31g(d).inp

000901422.b3lyp_6-31g(d).qchem.inp (generated)

000901422.b3lyp_6-31g(d).gjf (generated)

000901422.b3lyp_6-31g(d).firefly.inp (generated)

000901422.b3lyp_6-31g(d).smash.inp (generated)

000901422.b3lyp_6-31g(d).nwchem.inp (generated) 000901422.b3lyp_6-31g(d).log.xz 000901422.td-b3lyp_6-31g+(d).inp 000901422.td-b3lyp_6-31g+(d).log.xz

000901422.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901422.td-b3lyp_6-31+g(d).gjf (generated)

000901422.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901422.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901422.mol 000901422.PUBCHEM 000901422.mol (via Jmol)
000901423.b3lyp_6-31g(d).inp

000901423.b3lyp_6-31g(d).qchem.inp (generated)

000901423.b3lyp_6-31g(d).gjf (generated)

000901423.b3lyp_6-31g(d).firefly.inp (generated)

000901423.b3lyp_6-31g(d).smash.inp (generated)

000901423.b3lyp_6-31g(d).nwchem.inp (generated) 000901423.b3lyp_6-31g(d).log.xz 000901423.td-b3lyp_6-31g+(d).inp 000901423.td-b3lyp_6-31g+(d).log.xz

000901423.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901423.td-b3lyp_6-31+g(d).gjf (generated)

000901423.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901423.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901423.mol 000901423.PUBCHEM 000901423.mol (via Jmol)
000901424.b3lyp_6-31g(d).inp

000901424.b3lyp_6-31g(d).qchem.inp (generated)

000901424.b3lyp_6-31g(d).gjf (generated)

000901424.b3lyp_6-31g(d).firefly.inp (generated)

000901424.b3lyp_6-31g(d).smash.inp (generated)

000901424.b3lyp_6-31g(d).nwchem.inp (generated) 000901424.b3lyp_6-31g(d).log.xz 000901424.td-b3lyp_6-31g+(d).inp 000901424.td-b3lyp_6-31g+(d).log.xz

000901424.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901424.td-b3lyp_6-31+g(d).gjf (generated)

000901424.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901424.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901424.mol 000901424.PUBCHEM 000901424.mol (via Jmol)
000901425.b3lyp_6-31g(d).inp

000901425.b3lyp_6-31g(d).qchem.inp (generated)

000901425.b3lyp_6-31g(d).gjf (generated)

000901425.b3lyp_6-31g(d).firefly.inp (generated)

000901425.b3lyp_6-31g(d).smash.inp (generated)

000901425.b3lyp_6-31g(d).nwchem.inp (generated) 000901425.b3lyp_6-31g(d).log.xz 000901425.td-b3lyp_6-31g+(d).inp 000901425.td-b3lyp_6-31g+(d).log.xz

000901425.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901425.td-b3lyp_6-31+g(d).gjf (generated)

000901425.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901425.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901425.mol 000901425.PUBCHEM 000901425.mol (via Jmol)
000901426.b3lyp_6-31g(d).inp

000901426.b3lyp_6-31g(d).qchem.inp (generated)

000901426.b3lyp_6-31g(d).gjf (generated)

000901426.b3lyp_6-31g(d).firefly.inp (generated)

000901426.b3lyp_6-31g(d).smash.inp (generated)

000901426.b3lyp_6-31g(d).nwchem.inp (generated) 000901426.b3lyp_6-31g(d).log.xz 000901426.td-b3lyp_6-31g+(d).inp 000901426.td-b3lyp_6-31g+(d).log.xz

000901426.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901426.td-b3lyp_6-31+g(d).gjf (generated)

000901426.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901426.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901426.mol 000901426.PUBCHEM 000901426.mol (via Jmol)
000901427.b3lyp_6-31g(d).inp

000901427.b3lyp_6-31g(d).qchem.inp (generated)

000901427.b3lyp_6-31g(d).gjf (generated)

000901427.b3lyp_6-31g(d).firefly.inp (generated)

000901427.b3lyp_6-31g(d).smash.inp (generated)

000901427.b3lyp_6-31g(d).nwchem.inp (generated) 000901427.b3lyp_6-31g(d).log.xz 000901427.td-b3lyp_6-31g+(d).inp 000901427.td-b3lyp_6-31g+(d).log.xz

000901427.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901427.td-b3lyp_6-31+g(d).gjf (generated)

000901427.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901427.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901427.mol 000901427.PUBCHEM 000901427.mol (via Jmol)
000901428.b3lyp_6-31g(d).inp

000901428.b3lyp_6-31g(d).qchem.inp (generated)

000901428.b3lyp_6-31g(d).gjf (generated)

000901428.b3lyp_6-31g(d).firefly.inp (generated)

000901428.b3lyp_6-31g(d).smash.inp (generated)

000901428.b3lyp_6-31g(d).nwchem.inp (generated) 000901428.b3lyp_6-31g(d).log.xz 000901428.td-b3lyp_6-31g+(d).inp 000901428.td-b3lyp_6-31g+(d).log.xz

000901428.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901428.td-b3lyp_6-31+g(d).gjf (generated)

000901428.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901428.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901428.mol 000901428.PUBCHEM 000901428.mol (via Jmol)
000901429.b3lyp_6-31g(d).inp

000901429.b3lyp_6-31g(d).qchem.inp (generated)

000901429.b3lyp_6-31g(d).gjf (generated)

000901429.b3lyp_6-31g(d).firefly.inp (generated)

000901429.b3lyp_6-31g(d).smash.inp (generated)

000901429.b3lyp_6-31g(d).nwchem.inp (generated) 000901429.b3lyp_6-31g(d).log.xz 000901429.td-b3lyp_6-31g+(d).inp 000901429.td-b3lyp_6-31g+(d).log.xz

000901429.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901429.td-b3lyp_6-31+g(d).gjf (generated)

000901429.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901429.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901429.mol 000901429.PUBCHEM 000901429.mol (via Jmol)
000901431.b3lyp_6-31g(d).inp

000901431.b3lyp_6-31g(d).qchem.inp (generated)

000901431.b3lyp_6-31g(d).gjf (generated)

000901431.b3lyp_6-31g(d).firefly.inp (generated)

000901431.b3lyp_6-31g(d).smash.inp (generated)

000901431.b3lyp_6-31g(d).nwchem.inp (generated) 000901431.b3lyp_6-31g(d).log.xz 000901431.td-b3lyp_6-31g+(d).inp 000901431.td-b3lyp_6-31g+(d).log.xz

000901431.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901431.td-b3lyp_6-31+g(d).gjf (generated)

000901431.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901431.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901431.mol 000901431.PUBCHEM 000901431.mol (via Jmol)
000901432.b3lyp_6-31g(d).inp

000901432.b3lyp_6-31g(d).qchem.inp (generated)

000901432.b3lyp_6-31g(d).gjf (generated)

000901432.b3lyp_6-31g(d).firefly.inp (generated)

000901432.b3lyp_6-31g(d).smash.inp (generated)

000901432.b3lyp_6-31g(d).nwchem.inp (generated) 000901432.b3lyp_6-31g(d).log.xz 000901432.td-b3lyp_6-31g+(d).inp 000901432.td-b3lyp_6-31g+(d).log.xz

000901432.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901432.td-b3lyp_6-31+g(d).gjf (generated)

000901432.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901432.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901432.mol 000901432.PUBCHEM 000901432.mol (via Jmol)
000901433.b3lyp_6-31g(d).inp

000901433.b3lyp_6-31g(d).qchem.inp (generated)

000901433.b3lyp_6-31g(d).gjf (generated)

000901433.b3lyp_6-31g(d).firefly.inp (generated)

000901433.b3lyp_6-31g(d).smash.inp (generated)

000901433.b3lyp_6-31g(d).nwchem.inp (generated) 000901433.b3lyp_6-31g(d).log.xz 000901433.td-b3lyp_6-31g+(d).inp 000901433.td-b3lyp_6-31g+(d).log.xz

000901433.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901433.td-b3lyp_6-31+g(d).gjf (generated)

000901433.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901433.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901433.mol 000901433.PUBCHEM 000901433.mol (via Jmol)
000901434.b3lyp_6-31g(d).inp

000901434.b3lyp_6-31g(d).qchem.inp (generated)

000901434.b3lyp_6-31g(d).gjf (generated)

000901434.b3lyp_6-31g(d).firefly.inp (generated)

000901434.b3lyp_6-31g(d).smash.inp (generated)

000901434.b3lyp_6-31g(d).nwchem.inp (generated) 000901434.b3lyp_6-31g(d).log.xz 000901434.td-b3lyp_6-31g+(d).inp 000901434.td-b3lyp_6-31g+(d).log.xz

000901434.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901434.td-b3lyp_6-31+g(d).gjf (generated)

000901434.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901434.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901434.mol 000901434.PUBCHEM 000901434.mol (via Jmol)
000901435.b3lyp_6-31g(d).inp

000901435.b3lyp_6-31g(d).qchem.inp (generated)

000901435.b3lyp_6-31g(d).gjf (generated)

000901435.b3lyp_6-31g(d).firefly.inp (generated)

000901435.b3lyp_6-31g(d).smash.inp (generated)

000901435.b3lyp_6-31g(d).nwchem.inp (generated) 000901435.b3lyp_6-31g(d).log.xz 000901435.td-b3lyp_6-31g+(d).inp 000901435.td-b3lyp_6-31g+(d).log.xz

000901435.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901435.td-b3lyp_6-31+g(d).gjf (generated)

000901435.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901435.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901435.mol 000901435.PUBCHEM 000901435.mol (via Jmol)
000901438.b3lyp_6-31g(d).inp

000901438.b3lyp_6-31g(d).qchem.inp (generated)

000901438.b3lyp_6-31g(d).gjf (generated)

000901438.b3lyp_6-31g(d).firefly.inp (generated)

000901438.b3lyp_6-31g(d).smash.inp (generated)

000901438.b3lyp_6-31g(d).nwchem.inp (generated) 000901438.b3lyp_6-31g(d).log.xz 000901438.td-b3lyp_6-31g+(d).inp 000901438.td-b3lyp_6-31g+(d).log.xz

000901438.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901438.td-b3lyp_6-31+g(d).gjf (generated)

000901438.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901438.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901438.mol 000901438.PUBCHEM 000901438.mol (via Jmol)
000901439.b3lyp_6-31g(d).inp

000901439.b3lyp_6-31g(d).qchem.inp (generated)

000901439.b3lyp_6-31g(d).gjf (generated)

000901439.b3lyp_6-31g(d).firefly.inp (generated)

000901439.b3lyp_6-31g(d).smash.inp (generated)

000901439.b3lyp_6-31g(d).nwchem.inp (generated) 000901439.b3lyp_6-31g(d).log.xz 000901439.td-b3lyp_6-31g+(d).inp 000901439.td-b3lyp_6-31g+(d).log.xz

000901439.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901439.td-b3lyp_6-31+g(d).gjf (generated)

000901439.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901439.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901439.mol 000901439.PUBCHEM 000901439.mol (via Jmol)
000901440.b3lyp_6-31g(d).inp

000901440.b3lyp_6-31g(d).qchem.inp (generated)

000901440.b3lyp_6-31g(d).gjf (generated)

000901440.b3lyp_6-31g(d).firefly.inp (generated)

000901440.b3lyp_6-31g(d).smash.inp (generated)

000901440.b3lyp_6-31g(d).nwchem.inp (generated) 000901440.b3lyp_6-31g(d).log.xz 000901440.td-b3lyp_6-31g+(d).inp 000901440.td-b3lyp_6-31g+(d).log.xz

000901440.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901440.td-b3lyp_6-31+g(d).gjf (generated)

000901440.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901440.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901440.mol 000901440.PUBCHEM 000901440.mol (via Jmol)
000901441.b3lyp_6-31g(d).inp

000901441.b3lyp_6-31g(d).qchem.inp (generated)

000901441.b3lyp_6-31g(d).gjf (generated)

000901441.b3lyp_6-31g(d).firefly.inp (generated)

000901441.b3lyp_6-31g(d).smash.inp (generated)

000901441.b3lyp_6-31g(d).nwchem.inp (generated) 000901441.b3lyp_6-31g(d).log.xz 000901441.td-b3lyp_6-31g+(d).inp 000901441.td-b3lyp_6-31g+(d).log.xz

000901441.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901441.td-b3lyp_6-31+g(d).gjf (generated)

000901441.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901441.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901441.mol 000901441.PUBCHEM 000901441.mol (via Jmol)
000901442.b3lyp_6-31g(d).inp

000901442.b3lyp_6-31g(d).qchem.inp (generated)

000901442.b3lyp_6-31g(d).gjf (generated)

000901442.b3lyp_6-31g(d).firefly.inp (generated)

000901442.b3lyp_6-31g(d).smash.inp (generated)

000901442.b3lyp_6-31g(d).nwchem.inp (generated) 000901442.b3lyp_6-31g(d).log.xz 000901442.td-b3lyp_6-31g+(d).inp 000901442.td-b3lyp_6-31g+(d).log.xz

000901442.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901442.td-b3lyp_6-31+g(d).gjf (generated)

000901442.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901442.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901442.mol 000901442.PUBCHEM 000901442.mol (via Jmol)
000901443.b3lyp_6-31g(d).inp

000901443.b3lyp_6-31g(d).qchem.inp (generated)

000901443.b3lyp_6-31g(d).gjf (generated)

000901443.b3lyp_6-31g(d).firefly.inp (generated)

000901443.b3lyp_6-31g(d).smash.inp (generated)

000901443.b3lyp_6-31g(d).nwchem.inp (generated) 000901443.b3lyp_6-31g(d).log.xz 000901443.td-b3lyp_6-31g+(d).inp 000901443.td-b3lyp_6-31g+(d).log.xz

000901443.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901443.td-b3lyp_6-31+g(d).gjf (generated)

000901443.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901443.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901443.mol 000901443.PUBCHEM 000901443.mol (via Jmol)
000901446.b3lyp_6-31g(d).inp

000901446.b3lyp_6-31g(d).qchem.inp (generated)

000901446.b3lyp_6-31g(d).gjf (generated)

000901446.b3lyp_6-31g(d).firefly.inp (generated)

000901446.b3lyp_6-31g(d).smash.inp (generated)

000901446.b3lyp_6-31g(d).nwchem.inp (generated) 000901446.b3lyp_6-31g(d).log.xz 000901446.td-b3lyp_6-31g+(d).inp 000901446.td-b3lyp_6-31g+(d).log.xz

000901446.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901446.td-b3lyp_6-31+g(d).gjf (generated)

000901446.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901446.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901446.mol 000901446.PUBCHEM 000901446.mol (via Jmol)
000901447.b3lyp_6-31g(d).inp

000901447.b3lyp_6-31g(d).qchem.inp (generated)

000901447.b3lyp_6-31g(d).gjf (generated)

000901447.b3lyp_6-31g(d).firefly.inp (generated)

000901447.b3lyp_6-31g(d).smash.inp (generated)

000901447.b3lyp_6-31g(d).nwchem.inp (generated) 000901447.b3lyp_6-31g(d).log.xz 000901447.td-b3lyp_6-31g+(d).inp 000901447.td-b3lyp_6-31g+(d).log.xz

000901447.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901447.td-b3lyp_6-31+g(d).gjf (generated)

000901447.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901447.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901447.mol 000901447.PUBCHEM 000901447.mol (via Jmol)
000901452.b3lyp_6-31g(d).inp

000901452.b3lyp_6-31g(d).qchem.inp (generated)

000901452.b3lyp_6-31g(d).gjf (generated)

000901452.b3lyp_6-31g(d).firefly.inp (generated)

000901452.b3lyp_6-31g(d).smash.inp (generated)

000901452.b3lyp_6-31g(d).nwchem.inp (generated) 000901452.b3lyp_6-31g(d).log.xz 000901452.td-b3lyp_6-31g+(d).inp 000901452.td-b3lyp_6-31g+(d).log.xz

000901452.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901452.td-b3lyp_6-31+g(d).gjf (generated)

000901452.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901452.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901452.mol 000901452.PUBCHEM 000901452.mol (via Jmol)
000901453.b3lyp_6-31g(d).inp

000901453.b3lyp_6-31g(d).qchem.inp (generated)

000901453.b3lyp_6-31g(d).gjf (generated)

000901453.b3lyp_6-31g(d).firefly.inp (generated)

000901453.b3lyp_6-31g(d).smash.inp (generated)

000901453.b3lyp_6-31g(d).nwchem.inp (generated) 000901453.b3lyp_6-31g(d).log.xz 000901453.td-b3lyp_6-31g+(d).inp 000901453.td-b3lyp_6-31g+(d).log.xz

000901453.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901453.td-b3lyp_6-31+g(d).gjf (generated)

000901453.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901453.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901453.mol 000901453.PUBCHEM 000901453.mol (via Jmol)
000901465.b3lyp_6-31g(d).inp

000901465.b3lyp_6-31g(d).qchem.inp (generated)

000901465.b3lyp_6-31g(d).gjf (generated)

000901465.b3lyp_6-31g(d).firefly.inp (generated)

000901465.b3lyp_6-31g(d).smash.inp (generated)

000901465.b3lyp_6-31g(d).nwchem.inp (generated) 000901465.b3lyp_6-31g(d).log.xz 000901465.td-b3lyp_6-31g+(d).inp 000901465.td-b3lyp_6-31g+(d).log.xz

000901465.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901465.td-b3lyp_6-31+g(d).gjf (generated)

000901465.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901465.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901465.mol 000901465.PUBCHEM 000901465.mol (via Jmol)
000901466.b3lyp_6-31g(d).inp

000901466.b3lyp_6-31g(d).qchem.inp (generated)

000901466.b3lyp_6-31g(d).gjf (generated)

000901466.b3lyp_6-31g(d).firefly.inp (generated)

000901466.b3lyp_6-31g(d).smash.inp (generated)

000901466.b3lyp_6-31g(d).nwchem.inp (generated) 000901466.b3lyp_6-31g(d).log.xz 000901466.td-b3lyp_6-31g+(d).inp 000901466.td-b3lyp_6-31g+(d).log.xz

000901466.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901466.td-b3lyp_6-31+g(d).gjf (generated)

000901466.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901466.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901466.mol 000901466.PUBCHEM 000901466.mol (via Jmol)
000901472.b3lyp_6-31g(d).inp

000901472.b3lyp_6-31g(d).qchem.inp (generated)

000901472.b3lyp_6-31g(d).gjf (generated)

000901472.b3lyp_6-31g(d).firefly.inp (generated)

000901472.b3lyp_6-31g(d).smash.inp (generated)

000901472.b3lyp_6-31g(d).nwchem.inp (generated) 000901472.b3lyp_6-31g(d).log.xz 000901472.td-b3lyp_6-31g+(d).inp 000901472.td-b3lyp_6-31g+(d).log.xz

000901472.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901472.td-b3lyp_6-31+g(d).gjf (generated)

000901472.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901472.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901472.mol 000901472.PUBCHEM 000901472.mol (via Jmol)
000901473.b3lyp_6-31g(d).inp

000901473.b3lyp_6-31g(d).qchem.inp (generated)

000901473.b3lyp_6-31g(d).gjf (generated)

000901473.b3lyp_6-31g(d).firefly.inp (generated)

000901473.b3lyp_6-31g(d).smash.inp (generated)

000901473.b3lyp_6-31g(d).nwchem.inp (generated) 000901473.b3lyp_6-31g(d).log.xz 000901473.td-b3lyp_6-31g+(d).inp 000901473.td-b3lyp_6-31g+(d).log.xz

000901473.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901473.td-b3lyp_6-31+g(d).gjf (generated)

000901473.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901473.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901473.mol 000901473.PUBCHEM 000901473.mol (via Jmol)
000901474.b3lyp_6-31g(d).inp

000901474.b3lyp_6-31g(d).qchem.inp (generated)

000901474.b3lyp_6-31g(d).gjf (generated)

000901474.b3lyp_6-31g(d).firefly.inp (generated)

000901474.b3lyp_6-31g(d).smash.inp (generated)

000901474.b3lyp_6-31g(d).nwchem.inp (generated) 000901474.b3lyp_6-31g(d).log.xz 000901474.td-b3lyp_6-31g+(d).inp 000901474.td-b3lyp_6-31g+(d).log.xz

000901474.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901474.td-b3lyp_6-31+g(d).gjf (generated)

000901474.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901474.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901474.mol 000901474.PUBCHEM 000901474.mol (via Jmol)
000901475.b3lyp_6-31g(d).inp

000901475.b3lyp_6-31g(d).qchem.inp (generated)

000901475.b3lyp_6-31g(d).gjf (generated)

000901475.b3lyp_6-31g(d).firefly.inp (generated)

000901475.b3lyp_6-31g(d).smash.inp (generated)

000901475.b3lyp_6-31g(d).nwchem.inp (generated) 000901475.b3lyp_6-31g(d).log.xz 000901475.td-b3lyp_6-31g+(d).inp 000901475.td-b3lyp_6-31g+(d).log.xz

000901475.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901475.td-b3lyp_6-31+g(d).gjf (generated)

000901475.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901475.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901475.mol 000901475.PUBCHEM 000901475.mol (via Jmol)
000901476.b3lyp_6-31g(d).inp

000901476.b3lyp_6-31g(d).qchem.inp (generated)

000901476.b3lyp_6-31g(d).gjf (generated)

000901476.b3lyp_6-31g(d).firefly.inp (generated)

000901476.b3lyp_6-31g(d).smash.inp (generated)

000901476.b3lyp_6-31g(d).nwchem.inp (generated) 000901476.b3lyp_6-31g(d).log.xz 000901476.td-b3lyp_6-31g+(d).inp 000901476.td-b3lyp_6-31g+(d).log.xz

000901476.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901476.td-b3lyp_6-31+g(d).gjf (generated)

000901476.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901476.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901476.mol 000901476.PUBCHEM 000901476.mol (via Jmol)
000901477.b3lyp_6-31g(d).inp

000901477.b3lyp_6-31g(d).qchem.inp (generated)

000901477.b3lyp_6-31g(d).gjf (generated)

000901477.b3lyp_6-31g(d).firefly.inp (generated)

000901477.b3lyp_6-31g(d).smash.inp (generated)

000901477.b3lyp_6-31g(d).nwchem.inp (generated) 000901477.b3lyp_6-31g(d).log.xz 000901477.td-b3lyp_6-31g+(d).inp 000901477.td-b3lyp_6-31g+(d).log.xz

000901477.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901477.td-b3lyp_6-31+g(d).gjf (generated)

000901477.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901477.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901477.mol 000901477.PUBCHEM 000901477.mol (via Jmol)
000901478.b3lyp_6-31g(d).inp

000901478.b3lyp_6-31g(d).qchem.inp (generated)

000901478.b3lyp_6-31g(d).gjf (generated)

000901478.b3lyp_6-31g(d).firefly.inp (generated)

000901478.b3lyp_6-31g(d).smash.inp (generated)

000901478.b3lyp_6-31g(d).nwchem.inp (generated) 000901478.b3lyp_6-31g(d).log.xz 000901478.td-b3lyp_6-31g+(d).inp 000901478.td-b3lyp_6-31g+(d).log.xz

000901478.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901478.td-b3lyp_6-31+g(d).gjf (generated)

000901478.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901478.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901478.mol 000901478.PUBCHEM 000901478.mol (via Jmol)
000901479.b3lyp_6-31g(d).inp

000901479.b3lyp_6-31g(d).qchem.inp (generated)

000901479.b3lyp_6-31g(d).gjf (generated)

000901479.b3lyp_6-31g(d).firefly.inp (generated)

000901479.b3lyp_6-31g(d).smash.inp (generated)

000901479.b3lyp_6-31g(d).nwchem.inp (generated) 000901479.b3lyp_6-31g(d).log.xz 000901479.td-b3lyp_6-31g+(d).inp 000901479.td-b3lyp_6-31g+(d).log.xz

000901479.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901479.td-b3lyp_6-31+g(d).gjf (generated)

000901479.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901479.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901479.mol 000901479.PUBCHEM 000901479.mol (via Jmol)
000901482.b3lyp_6-31g(d).inp

000901482.b3lyp_6-31g(d).qchem.inp (generated)

000901482.b3lyp_6-31g(d).gjf (generated)

000901482.b3lyp_6-31g(d).firefly.inp (generated)

000901482.b3lyp_6-31g(d).smash.inp (generated)

000901482.b3lyp_6-31g(d).nwchem.inp (generated) 000901482.b3lyp_6-31g(d).log.xz 000901482.td-b3lyp_6-31g+(d).inp 000901482.td-b3lyp_6-31g+(d).log.xz

000901482.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901482.td-b3lyp_6-31+g(d).gjf (generated)

000901482.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901482.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901482.mol 000901482.PUBCHEM 000901482.mol (via Jmol)
000901483.b3lyp_6-31g(d).inp

000901483.b3lyp_6-31g(d).qchem.inp (generated)

000901483.b3lyp_6-31g(d).gjf (generated)

000901483.b3lyp_6-31g(d).firefly.inp (generated)

000901483.b3lyp_6-31g(d).smash.inp (generated)

000901483.b3lyp_6-31g(d).nwchem.inp (generated) 000901483.b3lyp_6-31g(d).log.xz 000901483.td-b3lyp_6-31g+(d).inp 000901483.td-b3lyp_6-31g+(d).log.xz

000901483.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901483.td-b3lyp_6-31+g(d).gjf (generated)

000901483.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901483.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901483.mol 000901483.PUBCHEM 000901483.mol (via Jmol)
000901490.b3lyp_6-31g(d).inp

000901490.b3lyp_6-31g(d).qchem.inp (generated)

000901490.b3lyp_6-31g(d).gjf (generated)

000901490.b3lyp_6-31g(d).firefly.inp (generated)

000901490.b3lyp_6-31g(d).smash.inp (generated)

000901490.b3lyp_6-31g(d).nwchem.inp (generated) 000901490.b3lyp_6-31g(d).log.xz 000901490.mol 000901490.PUBCHEM 000901490.mol (via Jmol)
000901497.b3lyp_6-31g(d).inp

000901497.b3lyp_6-31g(d).qchem.inp (generated)

000901497.b3lyp_6-31g(d).gjf (generated)

000901497.b3lyp_6-31g(d).firefly.inp (generated)

000901497.b3lyp_6-31g(d).smash.inp (generated)

000901497.b3lyp_6-31g(d).nwchem.inp (generated) 000901497.b3lyp_6-31g(d).log.xz 000901497.td-b3lyp_6-31g+(d).inp 000901497.td-b3lyp_6-31g+(d).log.xz

000901497.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901497.td-b3lyp_6-31+g(d).gjf (generated)

000901497.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901497.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901497.mol 000901497.PUBCHEM 000901497.mol (via Jmol)
000901498.b3lyp_6-31g(d).inp

000901498.b3lyp_6-31g(d).qchem.inp (generated)

000901498.b3lyp_6-31g(d).gjf (generated)

000901498.b3lyp_6-31g(d).firefly.inp (generated)

000901498.b3lyp_6-31g(d).smash.inp (generated)

000901498.b3lyp_6-31g(d).nwchem.inp (generated) 000901498.b3lyp_6-31g(d).log.xz 000901498.td-b3lyp_6-31g+(d).inp 000901498.td-b3lyp_6-31g+(d).log.xz

000901498.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901498.td-b3lyp_6-31+g(d).gjf (generated)

000901498.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901498.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901498.mol 000901498.PUBCHEM 000901498.mol (via Jmol)
000901500.b3lyp_6-31g(d).inp

000901500.b3lyp_6-31g(d).qchem.inp (generated)

000901500.b3lyp_6-31g(d).gjf (generated)

000901500.b3lyp_6-31g(d).firefly.inp (generated)

000901500.b3lyp_6-31g(d).smash.inp (generated)

000901500.b3lyp_6-31g(d).nwchem.inp (generated) 000901500.b3lyp_6-31g(d).log.xz 000901500.mol 000901500.PUBCHEM 000901500.mol (via Jmol)
000901501.b3lyp_6-31g(d).inp

000901501.b3lyp_6-31g(d).qchem.inp (generated)

000901501.b3lyp_6-31g(d).gjf (generated)

000901501.b3lyp_6-31g(d).firefly.inp (generated)

000901501.b3lyp_6-31g(d).smash.inp (generated)

000901501.b3lyp_6-31g(d).nwchem.inp (generated) 000901501.b3lyp_6-31g(d).log.xz 000901501.td-b3lyp_6-31g+(d).inp 000901501.td-b3lyp_6-31g+(d).log.xz

000901501.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901501.td-b3lyp_6-31+g(d).gjf (generated)

000901501.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901501.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901501.mol 000901501.PUBCHEM 000901501.mol (via Jmol)
000901502.b3lyp_6-31g(d).inp

000901502.b3lyp_6-31g(d).qchem.inp (generated)

000901502.b3lyp_6-31g(d).gjf (generated)

000901502.b3lyp_6-31g(d).firefly.inp (generated)

000901502.b3lyp_6-31g(d).smash.inp (generated)

000901502.b3lyp_6-31g(d).nwchem.inp (generated) 000901502.b3lyp_6-31g(d).log.xz 000901502.td-b3lyp_6-31g+(d).inp 000901502.td-b3lyp_6-31g+(d).log.xz

000901502.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901502.td-b3lyp_6-31+g(d).gjf (generated)

000901502.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901502.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901502.mol 000901502.PUBCHEM 000901502.mol (via Jmol)
000901503.b3lyp_6-31g(d).inp

000901503.b3lyp_6-31g(d).qchem.inp (generated)

000901503.b3lyp_6-31g(d).gjf (generated)

000901503.b3lyp_6-31g(d).firefly.inp (generated)

000901503.b3lyp_6-31g(d).smash.inp (generated)

000901503.b3lyp_6-31g(d).nwchem.inp (generated) 000901503.b3lyp_6-31g(d).log.xz 000901503.td-b3lyp_6-31g+(d).inp 000901503.td-b3lyp_6-31g+(d).log.xz

000901503.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901503.td-b3lyp_6-31+g(d).gjf (generated)

000901503.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901503.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901503.mol 000901503.PUBCHEM 000901503.mol (via Jmol)
000901504.b3lyp_6-31g(d).inp

000901504.b3lyp_6-31g(d).qchem.inp (generated)

000901504.b3lyp_6-31g(d).gjf (generated)

000901504.b3lyp_6-31g(d).firefly.inp (generated)

000901504.b3lyp_6-31g(d).smash.inp (generated)

000901504.b3lyp_6-31g(d).nwchem.inp (generated) 000901504.b3lyp_6-31g(d).log.xz 000901504.td-b3lyp_6-31g+(d).inp 000901504.td-b3lyp_6-31g+(d).log.xz

000901504.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901504.td-b3lyp_6-31+g(d).gjf (generated)

000901504.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901504.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901504.mol 000901504.PUBCHEM 000901504.mol (via Jmol)
000901505.b3lyp_6-31g(d).inp

000901505.b3lyp_6-31g(d).qchem.inp (generated)

000901505.b3lyp_6-31g(d).gjf (generated)

000901505.b3lyp_6-31g(d).firefly.inp (generated)

000901505.b3lyp_6-31g(d).smash.inp (generated)

000901505.b3lyp_6-31g(d).nwchem.inp (generated) 000901505.b3lyp_6-31g(d).log.xz 000901505.mol 000901505.PUBCHEM 000901505.mol (via Jmol)
000901515.b3lyp_6-31g(d).inp

000901515.b3lyp_6-31g(d).qchem.inp (generated)

000901515.b3lyp_6-31g(d).gjf (generated)

000901515.b3lyp_6-31g(d).firefly.inp (generated)

000901515.b3lyp_6-31g(d).smash.inp (generated)

000901515.b3lyp_6-31g(d).nwchem.inp (generated) 000901515.b3lyp_6-31g(d).log.xz 000901515.td-b3lyp_6-31g+(d).inp 000901515.td-b3lyp_6-31g+(d).log.xz

000901515.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901515.td-b3lyp_6-31+g(d).gjf (generated)

000901515.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901515.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901515.mol 000901515.PUBCHEM 000901515.mol (via Jmol)
000901516.b3lyp_6-31g(d).inp

000901516.b3lyp_6-31g(d).qchem.inp (generated)

000901516.b3lyp_6-31g(d).gjf (generated)

000901516.b3lyp_6-31g(d).firefly.inp (generated)

000901516.b3lyp_6-31g(d).smash.inp (generated)

000901516.b3lyp_6-31g(d).nwchem.inp (generated) 000901516.b3lyp_6-31g(d).log.xz 000901516.mol 000901516.PUBCHEM 000901516.mol (via Jmol)
000901517.b3lyp_6-31g(d).inp

000901517.b3lyp_6-31g(d).qchem.inp (generated)

000901517.b3lyp_6-31g(d).gjf (generated)

000901517.b3lyp_6-31g(d).firefly.inp (generated)

000901517.b3lyp_6-31g(d).smash.inp (generated)

000901517.b3lyp_6-31g(d).nwchem.inp (generated) 000901517.b3lyp_6-31g(d).log.xz 000901517.td-b3lyp_6-31g+(d).inp 000901517.td-b3lyp_6-31g+(d).log.xz

000901517.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901517.td-b3lyp_6-31+g(d).gjf (generated)

000901517.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901517.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901517.mol 000901517.PUBCHEM 000901517.mol (via Jmol)
000901518.b3lyp_6-31g(d).inp

000901518.b3lyp_6-31g(d).qchem.inp (generated)

000901518.b3lyp_6-31g(d).gjf (generated)

000901518.b3lyp_6-31g(d).firefly.inp (generated)

000901518.b3lyp_6-31g(d).smash.inp (generated)

000901518.b3lyp_6-31g(d).nwchem.inp (generated) 000901518.b3lyp_6-31g(d).log.xz 000901518.td-b3lyp_6-31g+(d).inp 000901518.td-b3lyp_6-31g+(d).log.xz

000901518.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901518.td-b3lyp_6-31+g(d).gjf (generated)

000901518.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901518.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901518.mol 000901518.PUBCHEM 000901518.mol (via Jmol)
000901523.b3lyp_6-31g(d).inp

000901523.b3lyp_6-31g(d).qchem.inp (generated)

000901523.b3lyp_6-31g(d).gjf (generated)

000901523.b3lyp_6-31g(d).firefly.inp (generated)

000901523.b3lyp_6-31g(d).smash.inp (generated)

000901523.b3lyp_6-31g(d).nwchem.inp (generated) 000901523.b3lyp_6-31g(d).log.xz 000901523.mol 000901523.PUBCHEM 000901523.mol (via Jmol)
000901524.b3lyp_6-31g(d).inp

000901524.b3lyp_6-31g(d).qchem.inp (generated)

000901524.b3lyp_6-31g(d).gjf (generated)

000901524.b3lyp_6-31g(d).firefly.inp (generated)

000901524.b3lyp_6-31g(d).smash.inp (generated)

000901524.b3lyp_6-31g(d).nwchem.inp (generated) 000901524.b3lyp_6-31g(d).log.xz 000901524.td-b3lyp_6-31g+(d).inp 000901524.td-b3lyp_6-31g+(d).log.xz

000901524.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901524.td-b3lyp_6-31+g(d).gjf (generated)

000901524.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901524.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901524.mol 000901524.PUBCHEM 000901524.mol (via Jmol)
000901525.b3lyp_6-31g(d).inp

000901525.b3lyp_6-31g(d).qchem.inp (generated)

000901525.b3lyp_6-31g(d).gjf (generated)

000901525.b3lyp_6-31g(d).firefly.inp (generated)

000901525.b3lyp_6-31g(d).smash.inp (generated)

000901525.b3lyp_6-31g(d).nwchem.inp (generated) 000901525.b3lyp_6-31g(d).log.xz 000901525.td-b3lyp_6-31g+(d).inp 000901525.td-b3lyp_6-31g+(d).log.xz

000901525.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901525.td-b3lyp_6-31+g(d).gjf (generated)

000901525.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901525.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901525.mol 000901525.PUBCHEM 000901525.mol (via Jmol)
000901526.b3lyp_6-31g(d).inp

000901526.b3lyp_6-31g(d).qchem.inp (generated)

000901526.b3lyp_6-31g(d).gjf (generated)

000901526.b3lyp_6-31g(d).firefly.inp (generated)

000901526.b3lyp_6-31g(d).smash.inp (generated)

000901526.b3lyp_6-31g(d).nwchem.inp (generated) 000901526.b3lyp_6-31g(d).log.xz 000901526.mol 000901526.PUBCHEM 000901526.mol (via Jmol)
000901527.b3lyp_6-31g(d).inp

000901527.b3lyp_6-31g(d).qchem.inp (generated)

000901527.b3lyp_6-31g(d).gjf (generated)

000901527.b3lyp_6-31g(d).firefly.inp (generated)

000901527.b3lyp_6-31g(d).smash.inp (generated)

000901527.b3lyp_6-31g(d).nwchem.inp (generated) 000901527.b3lyp_6-31g(d).log.xz 000901527.td-b3lyp_6-31g+(d).inp 000901527.td-b3lyp_6-31g+(d).log.xz

000901527.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901527.td-b3lyp_6-31+g(d).gjf (generated)

000901527.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901527.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901527.mol 000901527.PUBCHEM 000901527.mol (via Jmol)
000901528.b3lyp_6-31g(d).inp

000901528.b3lyp_6-31g(d).qchem.inp (generated)

000901528.b3lyp_6-31g(d).gjf (generated)

000901528.b3lyp_6-31g(d).firefly.inp (generated)

000901528.b3lyp_6-31g(d).smash.inp (generated)

000901528.b3lyp_6-31g(d).nwchem.inp (generated) 000901528.b3lyp_6-31g(d).log.xz 000901528.mol 000901528.PUBCHEM 000901528.mol (via Jmol)
000901529.b3lyp_6-31g(d).inp

000901529.b3lyp_6-31g(d).qchem.inp (generated)

000901529.b3lyp_6-31g(d).gjf (generated)

000901529.b3lyp_6-31g(d).firefly.inp (generated)

000901529.b3lyp_6-31g(d).smash.inp (generated)

000901529.b3lyp_6-31g(d).nwchem.inp (generated) 000901529.b3lyp_6-31g(d).log.xz 000901529.mol 000901529.PUBCHEM 000901529.mol (via Jmol)
000901530.b3lyp_6-31g(d).inp

000901530.b3lyp_6-31g(d).qchem.inp (generated)

000901530.b3lyp_6-31g(d).gjf (generated)

000901530.b3lyp_6-31g(d).firefly.inp (generated)

000901530.b3lyp_6-31g(d).smash.inp (generated)

000901530.b3lyp_6-31g(d).nwchem.inp (generated) 000901530.b3lyp_6-31g(d).log.xz 000901530.mol 000901530.PUBCHEM 000901530.mol (via Jmol)
000901533.b3lyp_6-31g(d).inp

000901533.b3lyp_6-31g(d).qchem.inp (generated)

000901533.b3lyp_6-31g(d).gjf (generated)

000901533.b3lyp_6-31g(d).firefly.inp (generated)

000901533.b3lyp_6-31g(d).smash.inp (generated)

000901533.b3lyp_6-31g(d).nwchem.inp (generated) 000901533.b3lyp_6-31g(d).log.xz 000901533.td-b3lyp_6-31g+(d).inp 000901533.td-b3lyp_6-31g+(d).log.xz

000901533.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901533.td-b3lyp_6-31+g(d).gjf (generated)

000901533.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901533.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901533.mol 000901533.PUBCHEM 000901533.mol (via Jmol)
000901534.b3lyp_6-31g(d).inp

000901534.b3lyp_6-31g(d).qchem.inp (generated)

000901534.b3lyp_6-31g(d).gjf (generated)

000901534.b3lyp_6-31g(d).firefly.inp (generated)

000901534.b3lyp_6-31g(d).smash.inp (generated)

000901534.b3lyp_6-31g(d).nwchem.inp (generated) 000901534.b3lyp_6-31g(d).log.xz 000901534.td-b3lyp_6-31g+(d).inp 000901534.td-b3lyp_6-31g+(d).log.xz

000901534.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901534.td-b3lyp_6-31+g(d).gjf (generated)

000901534.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901534.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901534.mol 000901534.PUBCHEM 000901534.mol (via Jmol)
000901535.b3lyp_6-31g(d).inp

000901535.b3lyp_6-31g(d).qchem.inp (generated)

000901535.b3lyp_6-31g(d).gjf (generated)

000901535.b3lyp_6-31g(d).firefly.inp (generated)

000901535.b3lyp_6-31g(d).smash.inp (generated)

000901535.b3lyp_6-31g(d).nwchem.inp (generated) 000901535.b3lyp_6-31g(d).log.xz 000901535.td-b3lyp_6-31g+(d).inp 000901535.td-b3lyp_6-31g+(d).log.xz

000901535.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901535.td-b3lyp_6-31+g(d).gjf (generated)

000901535.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901535.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901535.mol 000901535.PUBCHEM 000901535.mol (via Jmol)
000901536.b3lyp_6-31g(d).inp

000901536.b3lyp_6-31g(d).qchem.inp (generated)

000901536.b3lyp_6-31g(d).gjf (generated)

000901536.b3lyp_6-31g(d).firefly.inp (generated)

000901536.b3lyp_6-31g(d).smash.inp (generated)

000901536.b3lyp_6-31g(d).nwchem.inp (generated) 000901536.b3lyp_6-31g(d).log.xz 000901536.td-b3lyp_6-31g+(d).inp 000901536.td-b3lyp_6-31g+(d).log.xz

000901536.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901536.td-b3lyp_6-31+g(d).gjf (generated)

000901536.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901536.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901536.mol 000901536.PUBCHEM 000901536.mol (via Jmol)
000901537.b3lyp_6-31g(d).inp

000901537.b3lyp_6-31g(d).qchem.inp (generated)

000901537.b3lyp_6-31g(d).gjf (generated)

000901537.b3lyp_6-31g(d).firefly.inp (generated)

000901537.b3lyp_6-31g(d).smash.inp (generated)

000901537.b3lyp_6-31g(d).nwchem.inp (generated) 000901537.b3lyp_6-31g(d).log.xz 000901537.td-b3lyp_6-31g+(d).inp 000901537.td-b3lyp_6-31g+(d).log.xz

000901537.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901537.td-b3lyp_6-31+g(d).gjf (generated)

000901537.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901537.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901537.mol 000901537.PUBCHEM 000901537.mol (via Jmol)
000901541.b3lyp_6-31g(d).inp

000901541.b3lyp_6-31g(d).qchem.inp (generated)

000901541.b3lyp_6-31g(d).gjf (generated)

000901541.b3lyp_6-31g(d).firefly.inp (generated)

000901541.b3lyp_6-31g(d).smash.inp (generated)

000901541.b3lyp_6-31g(d).nwchem.inp (generated) 000901541.b3lyp_6-31g(d).log.xz 000901541.td-b3lyp_6-31g+(d).inp 000901541.td-b3lyp_6-31g+(d).log.xz

000901541.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901541.td-b3lyp_6-31+g(d).gjf (generated)

000901541.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901541.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901541.mol 000901541.PUBCHEM 000901541.mol (via Jmol)
000901542.b3lyp_6-31g(d).inp

000901542.b3lyp_6-31g(d).qchem.inp (generated)

000901542.b3lyp_6-31g(d).gjf (generated)

000901542.b3lyp_6-31g(d).firefly.inp (generated)

000901542.b3lyp_6-31g(d).smash.inp (generated)

000901542.b3lyp_6-31g(d).nwchem.inp (generated) 000901542.b3lyp_6-31g(d).log.xz 000901542.td-b3lyp_6-31g+(d).inp 000901542.td-b3lyp_6-31g+(d).log.xz

000901542.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901542.td-b3lyp_6-31+g(d).gjf (generated)

000901542.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901542.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901542.mol 000901542.PUBCHEM 000901542.mol (via Jmol)
000901543.b3lyp_6-31g(d).inp

000901543.b3lyp_6-31g(d).qchem.inp (generated)

000901543.b3lyp_6-31g(d).gjf (generated)

000901543.b3lyp_6-31g(d).firefly.inp (generated)

000901543.b3lyp_6-31g(d).smash.inp (generated)

000901543.b3lyp_6-31g(d).nwchem.inp (generated) 000901543.b3lyp_6-31g(d).log.xz 000901543.td-b3lyp_6-31g+(d).inp 000901543.td-b3lyp_6-31g+(d).log.xz

000901543.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901543.td-b3lyp_6-31+g(d).gjf (generated)

000901543.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901543.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901543.mol 000901543.PUBCHEM 000901543.mol (via Jmol)
000901544.b3lyp_6-31g(d).inp

000901544.b3lyp_6-31g(d).qchem.inp (generated)

000901544.b3lyp_6-31g(d).gjf (generated)

000901544.b3lyp_6-31g(d).firefly.inp (generated)

000901544.b3lyp_6-31g(d).smash.inp (generated)

000901544.b3lyp_6-31g(d).nwchem.inp (generated) 000901544.b3lyp_6-31g(d).log.xz 000901544.td-b3lyp_6-31g+(d).inp 000901544.td-b3lyp_6-31g+(d).log.xz

000901544.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901544.td-b3lyp_6-31+g(d).gjf (generated)

000901544.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901544.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901544.mol 000901544.PUBCHEM 000901544.mol (via Jmol)
000901557.b3lyp_6-31g(d).inp

000901557.b3lyp_6-31g(d).qchem.inp (generated)

000901557.b3lyp_6-31g(d).gjf (generated)

000901557.b3lyp_6-31g(d).firefly.inp (generated)

000901557.b3lyp_6-31g(d).smash.inp (generated)

000901557.b3lyp_6-31g(d).nwchem.inp (generated) 000901557.b3lyp_6-31g(d).log.xz 000901557.td-b3lyp_6-31g+(d).inp 000901557.td-b3lyp_6-31g+(d).log.xz

000901557.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901557.td-b3lyp_6-31+g(d).gjf (generated)

000901557.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901557.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901557.mol 000901557.PUBCHEM 000901557.mol (via Jmol)
000901558.b3lyp_6-31g(d).inp

000901558.b3lyp_6-31g(d).qchem.inp (generated)

000901558.b3lyp_6-31g(d).gjf (generated)

000901558.b3lyp_6-31g(d).firefly.inp (generated)

000901558.b3lyp_6-31g(d).smash.inp (generated)

000901558.b3lyp_6-31g(d).nwchem.inp (generated) 000901558.b3lyp_6-31g(d).log.xz 000901558.mol 000901558.PUBCHEM 000901558.mol (via Jmol)
000901559.b3lyp_6-31g(d).inp

000901559.b3lyp_6-31g(d).qchem.inp (generated)

000901559.b3lyp_6-31g(d).gjf (generated)

000901559.b3lyp_6-31g(d).firefly.inp (generated)

000901559.b3lyp_6-31g(d).smash.inp (generated)

000901559.b3lyp_6-31g(d).nwchem.inp (generated) 000901559.b3lyp_6-31g(d).log.xz 000901559.mol 000901559.PUBCHEM 000901559.mol (via Jmol)
000901575.b3lyp_6-31g(d).inp

000901575.b3lyp_6-31g(d).qchem.inp (generated)

000901575.b3lyp_6-31g(d).gjf (generated)

000901575.b3lyp_6-31g(d).firefly.inp (generated)

000901575.b3lyp_6-31g(d).smash.inp (generated)

000901575.b3lyp_6-31g(d).nwchem.inp (generated) 000901575.b3lyp_6-31g(d).log.xz 000901575.td-b3lyp_6-31g+(d).inp 000901575.td-b3lyp_6-31g+(d).log.xz

000901575.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901575.td-b3lyp_6-31+g(d).gjf (generated)

000901575.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901575.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901575.mol 000901575.PUBCHEM 000901575.mol (via Jmol)
000901582.b3lyp_6-31g(d).inp

000901582.b3lyp_6-31g(d).qchem.inp (generated)

000901582.b3lyp_6-31g(d).gjf (generated)

000901582.b3lyp_6-31g(d).firefly.inp (generated)

000901582.b3lyp_6-31g(d).smash.inp (generated)

000901582.b3lyp_6-31g(d).nwchem.inp (generated) 000901582.b3lyp_6-31g(d).log.xz 000901582.td-b3lyp_6-31g+(d).inp 000901582.td-b3lyp_6-31g+(d).log.xz

000901582.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901582.td-b3lyp_6-31+g(d).gjf (generated)

000901582.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901582.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901582.mol 000901582.PUBCHEM 000901582.mol (via Jmol)
000901590.b3lyp_6-31g(d).inp

000901590.b3lyp_6-31g(d).qchem.inp (generated)

000901590.b3lyp_6-31g(d).gjf (generated)

000901590.b3lyp_6-31g(d).firefly.inp (generated)

000901590.b3lyp_6-31g(d).smash.inp (generated)

000901590.b3lyp_6-31g(d).nwchem.inp (generated) 000901590.b3lyp_6-31g(d).log.xz 000901590.td-b3lyp_6-31g+(d).inp 000901590.td-b3lyp_6-31g+(d).log.xz

000901590.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901590.td-b3lyp_6-31+g(d).gjf (generated)

000901590.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901590.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901590.mol 000901590.PUBCHEM 000901590.mol (via Jmol)
000901591.b3lyp_6-31g(d).inp

000901591.b3lyp_6-31g(d).qchem.inp (generated)

000901591.b3lyp_6-31g(d).gjf (generated)

000901591.b3lyp_6-31g(d).firefly.inp (generated)

000901591.b3lyp_6-31g(d).smash.inp (generated)

000901591.b3lyp_6-31g(d).nwchem.inp (generated) 000901591.b3lyp_6-31g(d).log.xz 000901591.td-b3lyp_6-31g+(d).inp 000901591.td-b3lyp_6-31g+(d).log.xz

000901591.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901591.td-b3lyp_6-31+g(d).gjf (generated)

000901591.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901591.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901591.mol 000901591.PUBCHEM 000901591.mol (via Jmol)
000901594.b3lyp_6-31g(d).inp

000901594.b3lyp_6-31g(d).qchem.inp (generated)

000901594.b3lyp_6-31g(d).gjf (generated)

000901594.b3lyp_6-31g(d).firefly.inp (generated)

000901594.b3lyp_6-31g(d).smash.inp (generated)

000901594.b3lyp_6-31g(d).nwchem.inp (generated) 000901594.b3lyp_6-31g(d).log.xz 000901594.td-b3lyp_6-31g+(d).inp 000901594.td-b3lyp_6-31g+(d).log.xz

000901594.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901594.td-b3lyp_6-31+g(d).gjf (generated)

000901594.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901594.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901594.mol 000901594.PUBCHEM 000901594.mol (via Jmol)
000901595.b3lyp_6-31g(d).inp

000901595.b3lyp_6-31g(d).qchem.inp (generated)

000901595.b3lyp_6-31g(d).gjf (generated)

000901595.b3lyp_6-31g(d).firefly.inp (generated)

000901595.b3lyp_6-31g(d).smash.inp (generated)

000901595.b3lyp_6-31g(d).nwchem.inp (generated) 000901595.b3lyp_6-31g(d).log.xz 000901595.td-b3lyp_6-31g+(d).inp 000901595.td-b3lyp_6-31g+(d).log.xz

000901595.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901595.td-b3lyp_6-31+g(d).gjf (generated)

000901595.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901595.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901595.mol 000901595.PUBCHEM 000901595.mol (via Jmol)
000901596.b3lyp_6-31g(d).inp

000901596.b3lyp_6-31g(d).qchem.inp (generated)

000901596.b3lyp_6-31g(d).gjf (generated)

000901596.b3lyp_6-31g(d).firefly.inp (generated)

000901596.b3lyp_6-31g(d).smash.inp (generated)

000901596.b3lyp_6-31g(d).nwchem.inp (generated) 000901596.b3lyp_6-31g(d).log.xz 000901596.mol 000901596.PUBCHEM 000901596.mol (via Jmol)
000901597.b3lyp_6-31g(d).inp

000901597.b3lyp_6-31g(d).qchem.inp (generated)

000901597.b3lyp_6-31g(d).gjf (generated)

000901597.b3lyp_6-31g(d).firefly.inp (generated)

000901597.b3lyp_6-31g(d).smash.inp (generated)

000901597.b3lyp_6-31g(d).nwchem.inp (generated) 000901597.b3lyp_6-31g(d).log.xz 000901597.mol 000901597.PUBCHEM 000901597.mol (via Jmol)
000901598.b3lyp_6-31g(d).inp

000901598.b3lyp_6-31g(d).qchem.inp (generated)

000901598.b3lyp_6-31g(d).gjf (generated)

000901598.b3lyp_6-31g(d).firefly.inp (generated)

000901598.b3lyp_6-31g(d).smash.inp (generated)

000901598.b3lyp_6-31g(d).nwchem.inp (generated) 000901598.b3lyp_6-31g(d).log.xz 000901598.mol 000901598.PUBCHEM 000901598.mol (via Jmol)
000901602.b3lyp_6-31g(d).inp

000901602.b3lyp_6-31g(d).qchem.inp (generated)

000901602.b3lyp_6-31g(d).gjf (generated)

000901602.b3lyp_6-31g(d).firefly.inp (generated)

000901602.b3lyp_6-31g(d).smash.inp (generated)

000901602.b3lyp_6-31g(d).nwchem.inp (generated) 000901602.b3lyp_6-31g(d).log.xz 000901602.td-b3lyp_6-31g+(d).inp 000901602.td-b3lyp_6-31g+(d).log.xz

000901602.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901602.td-b3lyp_6-31+g(d).gjf (generated)

000901602.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901602.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901602.mol 000901602.PUBCHEM 000901602.mol (via Jmol)
000901603.b3lyp_6-31g(d).inp

000901603.b3lyp_6-31g(d).qchem.inp (generated)

000901603.b3lyp_6-31g(d).gjf (generated)

000901603.b3lyp_6-31g(d).firefly.inp (generated)

000901603.b3lyp_6-31g(d).smash.inp (generated)

000901603.b3lyp_6-31g(d).nwchem.inp (generated) 000901603.b3lyp_6-31g(d).log.xz 000901603.td-b3lyp_6-31g+(d).inp 000901603.td-b3lyp_6-31g+(d).log.xz

000901603.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901603.td-b3lyp_6-31+g(d).gjf (generated)

000901603.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901603.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901603.mol 000901603.PUBCHEM 000901603.mol (via Jmol)
000901604.b3lyp_6-31g(d).inp

000901604.b3lyp_6-31g(d).qchem.inp (generated)

000901604.b3lyp_6-31g(d).gjf (generated)

000901604.b3lyp_6-31g(d).firefly.inp (generated)

000901604.b3lyp_6-31g(d).smash.inp (generated)

000901604.b3lyp_6-31g(d).nwchem.inp (generated) 000901604.b3lyp_6-31g(d).log.xz 000901604.td-b3lyp_6-31g+(d).inp 000901604.td-b3lyp_6-31g+(d).log.xz

000901604.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901604.td-b3lyp_6-31+g(d).gjf (generated)

000901604.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901604.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901604.mol 000901604.PUBCHEM 000901604.mol (via Jmol)
000901605.b3lyp_6-31g(d).inp

000901605.b3lyp_6-31g(d).qchem.inp (generated)

000901605.b3lyp_6-31g(d).gjf (generated)

000901605.b3lyp_6-31g(d).firefly.inp (generated)

000901605.b3lyp_6-31g(d).smash.inp (generated)

000901605.b3lyp_6-31g(d).nwchem.inp (generated) 000901605.b3lyp_6-31g(d).log.xz 000901605.td-b3lyp_6-31g+(d).inp 000901605.td-b3lyp_6-31g+(d).log.xz

000901605.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901605.td-b3lyp_6-31+g(d).gjf (generated)

000901605.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901605.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901605.mol 000901605.PUBCHEM 000901605.mol (via Jmol)
000901632.b3lyp_6-31g(d).inp

000901632.b3lyp_6-31g(d).qchem.inp (generated)

000901632.b3lyp_6-31g(d).gjf (generated)

000901632.b3lyp_6-31g(d).firefly.inp (generated)

000901632.b3lyp_6-31g(d).smash.inp (generated)

000901632.b3lyp_6-31g(d).nwchem.inp (generated) 000901632.b3lyp_6-31g(d).log.xz 000901632.mol 000901632.PUBCHEM 000901632.mol (via Jmol)
000901677.b3lyp_6-31g(d).inp

000901677.b3lyp_6-31g(d).qchem.inp (generated)

000901677.b3lyp_6-31g(d).gjf (generated)

000901677.b3lyp_6-31g(d).firefly.inp (generated)

000901677.b3lyp_6-31g(d).smash.inp (generated)

000901677.b3lyp_6-31g(d).nwchem.inp (generated) 000901677.b3lyp_6-31g(d).log.xz 000901677.td-b3lyp_6-31g+(d).inp 000901677.td-b3lyp_6-31g+(d).log.xz

000901677.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901677.td-b3lyp_6-31+g(d).gjf (generated)

000901677.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901677.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901677.mol 000901677.PUBCHEM 000901677.mol (via Jmol)
000901678.b3lyp_6-31g(d).inp

000901678.b3lyp_6-31g(d).qchem.inp (generated)

000901678.b3lyp_6-31g(d).gjf (generated)

000901678.b3lyp_6-31g(d).firefly.inp (generated)

000901678.b3lyp_6-31g(d).smash.inp (generated)

000901678.b3lyp_6-31g(d).nwchem.inp (generated) 000901678.b3lyp_6-31g(d).log.xz 000901678.td-b3lyp_6-31g+(d).inp 000901678.td-b3lyp_6-31g+(d).log.xz

000901678.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901678.td-b3lyp_6-31+g(d).gjf (generated)

000901678.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901678.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901678.mol 000901678.PUBCHEM 000901678.mol (via Jmol)
000901679.b3lyp_6-31g(d).inp

000901679.b3lyp_6-31g(d).qchem.inp (generated)

000901679.b3lyp_6-31g(d).gjf (generated)

000901679.b3lyp_6-31g(d).firefly.inp (generated)

000901679.b3lyp_6-31g(d).smash.inp (generated)

000901679.b3lyp_6-31g(d).nwchem.inp (generated) 000901679.b3lyp_6-31g(d).log.xz 000901679.td-b3lyp_6-31g+(d).inp 000901679.td-b3lyp_6-31g+(d).log.xz

000901679.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901679.td-b3lyp_6-31+g(d).gjf (generated)

000901679.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901679.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901679.mol 000901679.PUBCHEM 000901679.mol (via Jmol)
000901680.b3lyp_6-31g(d).inp

000901680.b3lyp_6-31g(d).qchem.inp (generated)

000901680.b3lyp_6-31g(d).gjf (generated)

000901680.b3lyp_6-31g(d).firefly.inp (generated)

000901680.b3lyp_6-31g(d).smash.inp (generated)

000901680.b3lyp_6-31g(d).nwchem.inp (generated) 000901680.b3lyp_6-31g(d).log.xz 000901680.td-b3lyp_6-31g+(d).inp 000901680.td-b3lyp_6-31g+(d).log.xz

000901680.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901680.td-b3lyp_6-31+g(d).gjf (generated)

000901680.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901680.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901680.mol 000901680.PUBCHEM 000901680.mol (via Jmol)
000901681.b3lyp_6-31g(d).inp

000901681.b3lyp_6-31g(d).qchem.inp (generated)

000901681.b3lyp_6-31g(d).gjf (generated)

000901681.b3lyp_6-31g(d).firefly.inp (generated)

000901681.b3lyp_6-31g(d).smash.inp (generated)

000901681.b3lyp_6-31g(d).nwchem.inp (generated) 000901681.b3lyp_6-31g(d).log.xz 000901681.td-b3lyp_6-31g+(d).inp 000901681.td-b3lyp_6-31g+(d).log.xz

000901681.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901681.td-b3lyp_6-31+g(d).gjf (generated)

000901681.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901681.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901681.mol 000901681.PUBCHEM 000901681.mol (via Jmol)
000901682.b3lyp_6-31g(d).inp

000901682.b3lyp_6-31g(d).qchem.inp (generated)

000901682.b3lyp_6-31g(d).gjf (generated)

000901682.b3lyp_6-31g(d).firefly.inp (generated)

000901682.b3lyp_6-31g(d).smash.inp (generated)

000901682.b3lyp_6-31g(d).nwchem.inp (generated) 000901682.b3lyp_6-31g(d).log.xz 000901682.td-b3lyp_6-31g+(d).inp 000901682.td-b3lyp_6-31g+(d).log.xz

000901682.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901682.td-b3lyp_6-31+g(d).gjf (generated)

000901682.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901682.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901682.mol 000901682.PUBCHEM 000901682.mol (via Jmol)
000901683.b3lyp_6-31g(d).inp

000901683.b3lyp_6-31g(d).qchem.inp (generated)

000901683.b3lyp_6-31g(d).gjf (generated)

000901683.b3lyp_6-31g(d).firefly.inp (generated)

000901683.b3lyp_6-31g(d).smash.inp (generated)

000901683.b3lyp_6-31g(d).nwchem.inp (generated) 000901683.b3lyp_6-31g(d).log.xz 000901683.td-b3lyp_6-31g+(d).inp 000901683.td-b3lyp_6-31g+(d).log.xz

000901683.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901683.td-b3lyp_6-31+g(d).gjf (generated)

000901683.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901683.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901683.mol 000901683.PUBCHEM 000901683.mol (via Jmol)
000901684.b3lyp_6-31g(d).inp

000901684.b3lyp_6-31g(d).qchem.inp (generated)

000901684.b3lyp_6-31g(d).gjf (generated)

000901684.b3lyp_6-31g(d).firefly.inp (generated)

000901684.b3lyp_6-31g(d).smash.inp (generated)

000901684.b3lyp_6-31g(d).nwchem.inp (generated) 000901684.b3lyp_6-31g(d).log.xz 000901684.td-b3lyp_6-31g+(d).inp 000901684.td-b3lyp_6-31g+(d).log.xz

000901684.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901684.td-b3lyp_6-31+g(d).gjf (generated)

000901684.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901684.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901684.mol 000901684.PUBCHEM 000901684.mol (via Jmol)
000901685.b3lyp_6-31g(d).inp

000901685.b3lyp_6-31g(d).qchem.inp (generated)

000901685.b3lyp_6-31g(d).gjf (generated)

000901685.b3lyp_6-31g(d).firefly.inp (generated)

000901685.b3lyp_6-31g(d).smash.inp (generated)

000901685.b3lyp_6-31g(d).nwchem.inp (generated) 000901685.b3lyp_6-31g(d).log.xz 000901685.td-b3lyp_6-31g+(d).inp 000901685.td-b3lyp_6-31g+(d).log.xz

000901685.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901685.td-b3lyp_6-31+g(d).gjf (generated)

000901685.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901685.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901685.mol 000901685.PUBCHEM 000901685.mol (via Jmol)
000901686.b3lyp_6-31g(d).inp

000901686.b3lyp_6-31g(d).qchem.inp (generated)

000901686.b3lyp_6-31g(d).gjf (generated)

000901686.b3lyp_6-31g(d).firefly.inp (generated)

000901686.b3lyp_6-31g(d).smash.inp (generated)

000901686.b3lyp_6-31g(d).nwchem.inp (generated) 000901686.b3lyp_6-31g(d).log.xz 000901686.td-b3lyp_6-31g+(d).inp 000901686.td-b3lyp_6-31g+(d).log.xz

000901686.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901686.td-b3lyp_6-31+g(d).gjf (generated)

000901686.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901686.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901686.mol 000901686.PUBCHEM 000901686.mol (via Jmol)
000901687.b3lyp_6-31g(d).inp

000901687.b3lyp_6-31g(d).qchem.inp (generated)

000901687.b3lyp_6-31g(d).gjf (generated)

000901687.b3lyp_6-31g(d).firefly.inp (generated)

000901687.b3lyp_6-31g(d).smash.inp (generated)

000901687.b3lyp_6-31g(d).nwchem.inp (generated) 000901687.b3lyp_6-31g(d).log.xz 000901687.td-b3lyp_6-31g+(d).inp 000901687.td-b3lyp_6-31g+(d).log.xz

000901687.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901687.td-b3lyp_6-31+g(d).gjf (generated)

000901687.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901687.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901687.mol 000901687.PUBCHEM 000901687.mol (via Jmol)
000901688.b3lyp_6-31g(d).inp

000901688.b3lyp_6-31g(d).qchem.inp (generated)

000901688.b3lyp_6-31g(d).gjf (generated)

000901688.b3lyp_6-31g(d).firefly.inp (generated)

000901688.b3lyp_6-31g(d).smash.inp (generated)

000901688.b3lyp_6-31g(d).nwchem.inp (generated) 000901688.b3lyp_6-31g(d).log.xz 000901688.td-b3lyp_6-31g+(d).inp 000901688.td-b3lyp_6-31g+(d).log.xz

000901688.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901688.td-b3lyp_6-31+g(d).gjf (generated)

000901688.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901688.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901688.mol 000901688.PUBCHEM 000901688.mol (via Jmol)
000901689.b3lyp_6-31g(d).inp

000901689.b3lyp_6-31g(d).qchem.inp (generated)

000901689.b3lyp_6-31g(d).gjf (generated)

000901689.b3lyp_6-31g(d).firefly.inp (generated)

000901689.b3lyp_6-31g(d).smash.inp (generated)

000901689.b3lyp_6-31g(d).nwchem.inp (generated) 000901689.b3lyp_6-31g(d).log.xz 000901689.td-b3lyp_6-31g+(d).inp 000901689.td-b3lyp_6-31g+(d).log.xz

000901689.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901689.td-b3lyp_6-31+g(d).gjf (generated)

000901689.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901689.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901689.mol 000901689.PUBCHEM 000901689.mol (via Jmol)
000901690.b3lyp_6-31g(d).inp

000901690.b3lyp_6-31g(d).qchem.inp (generated)

000901690.b3lyp_6-31g(d).gjf (generated)

000901690.b3lyp_6-31g(d).firefly.inp (generated)

000901690.b3lyp_6-31g(d).smash.inp (generated)

000901690.b3lyp_6-31g(d).nwchem.inp (generated) 000901690.b3lyp_6-31g(d).log.xz 000901690.td-b3lyp_6-31g+(d).inp 000901690.td-b3lyp_6-31g+(d).log.xz

000901690.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901690.td-b3lyp_6-31+g(d).gjf (generated)

000901690.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901690.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901690.mol 000901690.PUBCHEM 000901690.mol (via Jmol)
000901691.b3lyp_6-31g(d).inp

000901691.b3lyp_6-31g(d).qchem.inp (generated)

000901691.b3lyp_6-31g(d).gjf (generated)

000901691.b3lyp_6-31g(d).firefly.inp (generated)

000901691.b3lyp_6-31g(d).smash.inp (generated)

000901691.b3lyp_6-31g(d).nwchem.inp (generated) 000901691.b3lyp_6-31g(d).log.xz 000901691.td-b3lyp_6-31g+(d).inp 000901691.td-b3lyp_6-31g+(d).log.xz

000901691.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901691.td-b3lyp_6-31+g(d).gjf (generated)

000901691.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901691.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901691.mol 000901691.PUBCHEM 000901691.mol (via Jmol)
000901692.b3lyp_6-31g(d).inp

000901692.b3lyp_6-31g(d).qchem.inp (generated)

000901692.b3lyp_6-31g(d).gjf (generated)

000901692.b3lyp_6-31g(d).firefly.inp (generated)

000901692.b3lyp_6-31g(d).smash.inp (generated)

000901692.b3lyp_6-31g(d).nwchem.inp (generated) 000901692.b3lyp_6-31g(d).log.xz 000901692.td-b3lyp_6-31g+(d).inp 000901692.td-b3lyp_6-31g+(d).log.xz

000901692.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901692.td-b3lyp_6-31+g(d).gjf (generated)

000901692.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901692.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901692.mol 000901692.PUBCHEM 000901692.mol (via Jmol)
000901693.b3lyp_6-31g(d).inp

000901693.b3lyp_6-31g(d).qchem.inp (generated)

000901693.b3lyp_6-31g(d).gjf (generated)

000901693.b3lyp_6-31g(d).firefly.inp (generated)

000901693.b3lyp_6-31g(d).smash.inp (generated)

000901693.b3lyp_6-31g(d).nwchem.inp (generated) 000901693.b3lyp_6-31g(d).log.xz 000901693.td-b3lyp_6-31g+(d).inp 000901693.td-b3lyp_6-31g+(d).log.xz

000901693.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901693.td-b3lyp_6-31+g(d).gjf (generated)

000901693.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901693.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901693.mol 000901693.PUBCHEM 000901693.mol (via Jmol)
000901694.b3lyp_6-31g(d).inp

000901694.b3lyp_6-31g(d).qchem.inp (generated)

000901694.b3lyp_6-31g(d).gjf (generated)

000901694.b3lyp_6-31g(d).firefly.inp (generated)

000901694.b3lyp_6-31g(d).smash.inp (generated)

000901694.b3lyp_6-31g(d).nwchem.inp (generated) 000901694.b3lyp_6-31g(d).log.xz 000901694.td-b3lyp_6-31g+(d).inp 000901694.td-b3lyp_6-31g+(d).log.xz

000901694.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901694.td-b3lyp_6-31+g(d).gjf (generated)

000901694.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901694.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901694.mol 000901694.PUBCHEM 000901694.mol (via Jmol)
000901699.b3lyp_6-31g(d).inp

000901699.b3lyp_6-31g(d).qchem.inp (generated)

000901699.b3lyp_6-31g(d).gjf (generated)

000901699.b3lyp_6-31g(d).firefly.inp (generated)

000901699.b3lyp_6-31g(d).smash.inp (generated)

000901699.b3lyp_6-31g(d).nwchem.inp (generated) 000901699.b3lyp_6-31g(d).log.xz 000901699.td-b3lyp_6-31g+(d).inp 000901699.td-b3lyp_6-31g+(d).log.xz

000901699.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901699.td-b3lyp_6-31+g(d).gjf (generated)

000901699.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901699.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901699.mol 000901699.PUBCHEM 000901699.mol (via Jmol)
000901700.b3lyp_6-31g(d).inp

000901700.b3lyp_6-31g(d).qchem.inp (generated)

000901700.b3lyp_6-31g(d).gjf (generated)

000901700.b3lyp_6-31g(d).firefly.inp (generated)

000901700.b3lyp_6-31g(d).smash.inp (generated)

000901700.b3lyp_6-31g(d).nwchem.inp (generated) 000901700.b3lyp_6-31g(d).log.xz 000901700.td-b3lyp_6-31g+(d).inp 000901700.td-b3lyp_6-31g+(d).log.xz

000901700.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901700.td-b3lyp_6-31+g(d).gjf (generated)

000901700.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901700.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901700.mol 000901700.PUBCHEM 000901700.mol (via Jmol)
000901703.b3lyp_6-31g(d).inp

000901703.b3lyp_6-31g(d).qchem.inp (generated)

000901703.b3lyp_6-31g(d).gjf (generated)

000901703.b3lyp_6-31g(d).firefly.inp (generated)

000901703.b3lyp_6-31g(d).smash.inp (generated)

000901703.b3lyp_6-31g(d).nwchem.inp (generated) 000901703.b3lyp_6-31g(d).log.xz 000901703.td-b3lyp_6-31g+(d).inp 000901703.td-b3lyp_6-31g+(d).log.xz

000901703.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901703.td-b3lyp_6-31+g(d).gjf (generated)

000901703.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901703.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901703.mol 000901703.PUBCHEM 000901703.mol (via Jmol)
000901704.b3lyp_6-31g(d).inp

000901704.b3lyp_6-31g(d).qchem.inp (generated)

000901704.b3lyp_6-31g(d).gjf (generated)

000901704.b3lyp_6-31g(d).firefly.inp (generated)

000901704.b3lyp_6-31g(d).smash.inp (generated)

000901704.b3lyp_6-31g(d).nwchem.inp (generated) 000901704.b3lyp_6-31g(d).log.xz 000901704.td-b3lyp_6-31g+(d).inp 000901704.td-b3lyp_6-31g+(d).log.xz

000901704.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901704.td-b3lyp_6-31+g(d).gjf (generated)

000901704.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901704.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901704.mol 000901704.PUBCHEM 000901704.mol (via Jmol)
000901705.b3lyp_6-31g(d).inp

000901705.b3lyp_6-31g(d).qchem.inp (generated)

000901705.b3lyp_6-31g(d).gjf (generated)

000901705.b3lyp_6-31g(d).firefly.inp (generated)

000901705.b3lyp_6-31g(d).smash.inp (generated)

000901705.b3lyp_6-31g(d).nwchem.inp (generated) 000901705.b3lyp_6-31g(d).log.xz 000901705.td-b3lyp_6-31g+(d).inp 000901705.td-b3lyp_6-31g+(d).log.xz

000901705.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901705.td-b3lyp_6-31+g(d).gjf (generated)

000901705.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901705.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901705.mol 000901705.PUBCHEM 000901705.mol (via Jmol)
000901706.b3lyp_6-31g(d).inp

000901706.b3lyp_6-31g(d).qchem.inp (generated)

000901706.b3lyp_6-31g(d).gjf (generated)

000901706.b3lyp_6-31g(d).firefly.inp (generated)

000901706.b3lyp_6-31g(d).smash.inp (generated)

000901706.b3lyp_6-31g(d).nwchem.inp (generated) 000901706.b3lyp_6-31g(d).log.xz 000901706.td-b3lyp_6-31g+(d).inp 000901706.td-b3lyp_6-31g+(d).log.xz

000901706.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901706.td-b3lyp_6-31+g(d).gjf (generated)

000901706.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901706.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901706.mol 000901706.PUBCHEM 000901706.mol (via Jmol)
000901707.b3lyp_6-31g(d).inp

000901707.b3lyp_6-31g(d).qchem.inp (generated)

000901707.b3lyp_6-31g(d).gjf (generated)

000901707.b3lyp_6-31g(d).firefly.inp (generated)

000901707.b3lyp_6-31g(d).smash.inp (generated)

000901707.b3lyp_6-31g(d).nwchem.inp (generated) 000901707.b3lyp_6-31g(d).log.xz 000901707.td-b3lyp_6-31g+(d).inp 000901707.td-b3lyp_6-31g+(d).log.xz

000901707.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901707.td-b3lyp_6-31+g(d).gjf (generated)

000901707.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901707.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901707.mol 000901707.PUBCHEM 000901707.mol (via Jmol)
000901709.b3lyp_6-31g(d).inp

000901709.b3lyp_6-31g(d).qchem.inp (generated)

000901709.b3lyp_6-31g(d).gjf (generated)

000901709.b3lyp_6-31g(d).firefly.inp (generated)

000901709.b3lyp_6-31g(d).smash.inp (generated)

000901709.b3lyp_6-31g(d).nwchem.inp (generated) 000901709.b3lyp_6-31g(d).log.xz 000901709.mol 000901709.PUBCHEM 000901709.mol (via Jmol)
000901710.b3lyp_6-31g(d).inp

000901710.b3lyp_6-31g(d).qchem.inp (generated)

000901710.b3lyp_6-31g(d).gjf (generated)

000901710.b3lyp_6-31g(d).firefly.inp (generated)

000901710.b3lyp_6-31g(d).smash.inp (generated)

000901710.b3lyp_6-31g(d).nwchem.inp (generated) 000901710.b3lyp_6-31g(d).log.xz 000901710.td-b3lyp_6-31g+(d).inp 000901710.td-b3lyp_6-31g+(d).log.xz

000901710.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901710.td-b3lyp_6-31+g(d).gjf (generated)

000901710.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901710.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901710.mol 000901710.PUBCHEM 000901710.mol (via Jmol)
000901734.b3lyp_6-31g(d).inp

000901734.b3lyp_6-31g(d).qchem.inp (generated)

000901734.b3lyp_6-31g(d).gjf (generated)

000901734.b3lyp_6-31g(d).firefly.inp (generated)

000901734.b3lyp_6-31g(d).smash.inp (generated)

000901734.b3lyp_6-31g(d).nwchem.inp (generated) 000901734.b3lyp_6-31g(d).log.xz 000901734.td-b3lyp_6-31g+(d).inp 000901734.td-b3lyp_6-31g+(d).log.xz

000901734.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901734.td-b3lyp_6-31+g(d).gjf (generated)

000901734.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901734.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901734.mol 000901734.PUBCHEM 000901734.mol (via Jmol)
000901739.b3lyp_6-31g(d).inp

000901739.b3lyp_6-31g(d).qchem.inp (generated)

000901739.b3lyp_6-31g(d).gjf (generated)

000901739.b3lyp_6-31g(d).firefly.inp (generated)

000901739.b3lyp_6-31g(d).smash.inp (generated)

000901739.b3lyp_6-31g(d).nwchem.inp (generated) 000901739.b3lyp_6-31g(d).log.xz 000901739.td-b3lyp_6-31g+(d).inp 000901739.td-b3lyp_6-31g+(d).log.xz

000901739.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901739.td-b3lyp_6-31+g(d).gjf (generated)

000901739.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901739.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901739.mol 000901739.PUBCHEM 000901739.mol (via Jmol)
000901740.b3lyp_6-31g(d).inp

000901740.b3lyp_6-31g(d).qchem.inp (generated)

000901740.b3lyp_6-31g(d).gjf (generated)

000901740.b3lyp_6-31g(d).firefly.inp (generated)

000901740.b3lyp_6-31g(d).smash.inp (generated)

000901740.b3lyp_6-31g(d).nwchem.inp (generated) 000901740.b3lyp_6-31g(d).log.xz 000901740.td-b3lyp_6-31g+(d).inp 000901740.td-b3lyp_6-31g+(d).log.xz

000901740.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901740.td-b3lyp_6-31+g(d).gjf (generated)

000901740.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901740.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901740.mol 000901740.PUBCHEM 000901740.mol (via Jmol)
000901771.b3lyp_6-31g(d).inp

000901771.b3lyp_6-31g(d).qchem.inp (generated)

000901771.b3lyp_6-31g(d).gjf (generated)

000901771.b3lyp_6-31g(d).firefly.inp (generated)

000901771.b3lyp_6-31g(d).smash.inp (generated)

000901771.b3lyp_6-31g(d).nwchem.inp (generated) 000901771.b3lyp_6-31g(d).log.xz 000901771.td-b3lyp_6-31g+(d).inp 000901771.td-b3lyp_6-31g+(d).log.xz

000901771.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901771.td-b3lyp_6-31+g(d).gjf (generated)

000901771.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901771.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901771.mol 000901771.PUBCHEM 000901771.mol (via Jmol)
000901774.b3lyp_6-31g(d).inp

000901774.b3lyp_6-31g(d).qchem.inp (generated)

000901774.b3lyp_6-31g(d).gjf (generated)

000901774.b3lyp_6-31g(d).firefly.inp (generated)

000901774.b3lyp_6-31g(d).smash.inp (generated)

000901774.b3lyp_6-31g(d).nwchem.inp (generated) 000901774.b3lyp_6-31g(d).log.xz 000901774.td-b3lyp_6-31g+(d).inp 000901774.td-b3lyp_6-31g+(d).log.xz

000901774.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901774.td-b3lyp_6-31+g(d).gjf (generated)

000901774.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901774.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901774.mol 000901774.PUBCHEM 000901774.mol (via Jmol)
000901775.b3lyp_6-31g(d).inp

000901775.b3lyp_6-31g(d).qchem.inp (generated)

000901775.b3lyp_6-31g(d).gjf (generated)

000901775.b3lyp_6-31g(d).firefly.inp (generated)

000901775.b3lyp_6-31g(d).smash.inp (generated)

000901775.b3lyp_6-31g(d).nwchem.inp (generated) 000901775.b3lyp_6-31g(d).log.xz 000901775.td-b3lyp_6-31g+(d).inp 000901775.td-b3lyp_6-31g+(d).log.xz

000901775.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901775.td-b3lyp_6-31+g(d).gjf (generated)

000901775.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901775.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901775.mol 000901775.PUBCHEM 000901775.mol (via Jmol)
000901776.b3lyp_6-31g(d).inp

000901776.b3lyp_6-31g(d).qchem.inp (generated)

000901776.b3lyp_6-31g(d).gjf (generated)

000901776.b3lyp_6-31g(d).firefly.inp (generated)

000901776.b3lyp_6-31g(d).smash.inp (generated)

000901776.b3lyp_6-31g(d).nwchem.inp (generated) 000901776.b3lyp_6-31g(d).log.xz 000901776.td-b3lyp_6-31g+(d).inp 000901776.td-b3lyp_6-31g+(d).log.xz

000901776.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901776.td-b3lyp_6-31+g(d).gjf (generated)

000901776.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901776.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901776.mol 000901776.PUBCHEM 000901776.mol (via Jmol)
000901778.b3lyp_6-31g(d).inp

000901778.b3lyp_6-31g(d).qchem.inp (generated)

000901778.b3lyp_6-31g(d).gjf (generated)

000901778.b3lyp_6-31g(d).firefly.inp (generated)

000901778.b3lyp_6-31g(d).smash.inp (generated)

000901778.b3lyp_6-31g(d).nwchem.inp (generated) 000901778.b3lyp_6-31g(d).log.xz 000901778.td-b3lyp_6-31g+(d).inp 000901778.td-b3lyp_6-31g+(d).log.xz

000901778.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901778.td-b3lyp_6-31+g(d).gjf (generated)

000901778.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901778.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901778.mol 000901778.PUBCHEM 000901778.mol (via Jmol)
000901781.b3lyp_6-31g(d).inp

000901781.b3lyp_6-31g(d).qchem.inp (generated)

000901781.b3lyp_6-31g(d).gjf (generated)

000901781.b3lyp_6-31g(d).firefly.inp (generated)

000901781.b3lyp_6-31g(d).smash.inp (generated)

000901781.b3lyp_6-31g(d).nwchem.inp (generated) 000901781.b3lyp_6-31g(d).log.xz 000901781.td-b3lyp_6-31g+(d).inp 000901781.td-b3lyp_6-31g+(d).log.xz

000901781.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901781.td-b3lyp_6-31+g(d).gjf (generated)

000901781.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901781.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901781.mol 000901781.PUBCHEM 000901781.mol (via Jmol)
000901789.b3lyp_6-31g(d).inp

000901789.b3lyp_6-31g(d).qchem.inp (generated)

000901789.b3lyp_6-31g(d).gjf (generated)

000901789.b3lyp_6-31g(d).firefly.inp (generated)

000901789.b3lyp_6-31g(d).smash.inp (generated)

000901789.b3lyp_6-31g(d).nwchem.inp (generated) 000901789.b3lyp_6-31g(d).log.xz 000901789.td-b3lyp_6-31g+(d).inp 000901789.td-b3lyp_6-31g+(d).log.xz

000901789.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901789.td-b3lyp_6-31+g(d).gjf (generated)

000901789.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901789.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901789.mol 000901789.PUBCHEM 000901789.mol (via Jmol)
000901790.b3lyp_6-31g(d).inp

000901790.b3lyp_6-31g(d).qchem.inp (generated)

000901790.b3lyp_6-31g(d).gjf (generated)

000901790.b3lyp_6-31g(d).firefly.inp (generated)

000901790.b3lyp_6-31g(d).smash.inp (generated)

000901790.b3lyp_6-31g(d).nwchem.inp (generated) 000901790.b3lyp_6-31g(d).log.xz 000901790.td-b3lyp_6-31g+(d).inp 000901790.td-b3lyp_6-31g+(d).log.xz

000901790.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901790.td-b3lyp_6-31+g(d).gjf (generated)

000901790.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901790.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901790.mol 000901790.PUBCHEM 000901790.mol (via Jmol)
000901791.b3lyp_6-31g(d).inp

000901791.b3lyp_6-31g(d).qchem.inp (generated)

000901791.b3lyp_6-31g(d).gjf (generated)

000901791.b3lyp_6-31g(d).firefly.inp (generated)

000901791.b3lyp_6-31g(d).smash.inp (generated)

000901791.b3lyp_6-31g(d).nwchem.inp (generated) 000901791.b3lyp_6-31g(d).log.xz 000901791.td-b3lyp_6-31g+(d).inp 000901791.td-b3lyp_6-31g+(d).log.xz

000901791.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901791.td-b3lyp_6-31+g(d).gjf (generated)

000901791.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901791.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901791.mol 000901791.PUBCHEM 000901791.mol (via Jmol)
000901795.b3lyp_6-31g(d).inp

000901795.b3lyp_6-31g(d).qchem.inp (generated)

000901795.b3lyp_6-31g(d).gjf (generated)

000901795.b3lyp_6-31g(d).firefly.inp (generated)

000901795.b3lyp_6-31g(d).smash.inp (generated)

000901795.b3lyp_6-31g(d).nwchem.inp (generated) 000901795.b3lyp_6-31g(d).log.xz 000901795.mol 000901795.PUBCHEM 000901795.mol (via Jmol)
000901798.b3lyp_6-31g(d).inp

000901798.b3lyp_6-31g(d).qchem.inp (generated)

000901798.b3lyp_6-31g(d).gjf (generated)

000901798.b3lyp_6-31g(d).firefly.inp (generated)

000901798.b3lyp_6-31g(d).smash.inp (generated)

000901798.b3lyp_6-31g(d).nwchem.inp (generated) 000901798.b3lyp_6-31g(d).log.xz 000901798.td-b3lyp_6-31g+(d).inp 000901798.td-b3lyp_6-31g+(d).log.xz

000901798.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901798.td-b3lyp_6-31+g(d).gjf (generated)

000901798.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901798.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901798.mol 000901798.PUBCHEM 000901798.mol (via Jmol)
000901804.b3lyp_6-31g(d).inp

000901804.b3lyp_6-31g(d).qchem.inp (generated)

000901804.b3lyp_6-31g(d).gjf (generated)

000901804.b3lyp_6-31g(d).firefly.inp (generated)

000901804.b3lyp_6-31g(d).smash.inp (generated)

000901804.b3lyp_6-31g(d).nwchem.inp (generated) 000901804.b3lyp_6-31g(d).log.xz 000901804.td-b3lyp_6-31g+(d).inp 000901804.td-b3lyp_6-31g+(d).log.xz

000901804.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901804.td-b3lyp_6-31+g(d).gjf (generated)

000901804.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901804.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901804.mol 000901804.PUBCHEM 000901804.mol (via Jmol)
000901805.b3lyp_6-31g(d).inp

000901805.b3lyp_6-31g(d).qchem.inp (generated)

000901805.b3lyp_6-31g(d).gjf (generated)

000901805.b3lyp_6-31g(d).firefly.inp (generated)

000901805.b3lyp_6-31g(d).smash.inp (generated)

000901805.b3lyp_6-31g(d).nwchem.inp (generated) 000901805.b3lyp_6-31g(d).log.xz 000901805.td-b3lyp_6-31g+(d).inp 000901805.td-b3lyp_6-31g+(d).log.xz

000901805.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901805.td-b3lyp_6-31+g(d).gjf (generated)

000901805.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901805.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901805.mol 000901805.PUBCHEM 000901805.mol (via Jmol)
000901806.b3lyp_6-31g(d).inp

000901806.b3lyp_6-31g(d).qchem.inp (generated)

000901806.b3lyp_6-31g(d).gjf (generated)

000901806.b3lyp_6-31g(d).firefly.inp (generated)

000901806.b3lyp_6-31g(d).smash.inp (generated)

000901806.b3lyp_6-31g(d).nwchem.inp (generated) 000901806.b3lyp_6-31g(d).log.xz 000901806.td-b3lyp_6-31g+(d).inp 000901806.td-b3lyp_6-31g+(d).log.xz

000901806.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901806.td-b3lyp_6-31+g(d).gjf (generated)

000901806.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901806.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901806.mol 000901806.PUBCHEM 000901806.mol (via Jmol)
000901807.b3lyp_6-31g(d).inp

000901807.b3lyp_6-31g(d).qchem.inp (generated)

000901807.b3lyp_6-31g(d).gjf (generated)

000901807.b3lyp_6-31g(d).firefly.inp (generated)

000901807.b3lyp_6-31g(d).smash.inp (generated)

000901807.b3lyp_6-31g(d).nwchem.inp (generated) 000901807.b3lyp_6-31g(d).log.xz 000901807.td-b3lyp_6-31g+(d).inp 000901807.td-b3lyp_6-31g+(d).log.xz

000901807.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901807.td-b3lyp_6-31+g(d).gjf (generated)

000901807.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901807.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901807.mol 000901807.PUBCHEM 000901807.mol (via Jmol)
000901809.b3lyp_6-31g(d).inp

000901809.b3lyp_6-31g(d).qchem.inp (generated)

000901809.b3lyp_6-31g(d).gjf (generated)

000901809.b3lyp_6-31g(d).firefly.inp (generated)

000901809.b3lyp_6-31g(d).smash.inp (generated)

000901809.b3lyp_6-31g(d).nwchem.inp (generated) 000901809.b3lyp_6-31g(d).log.xz 000901809.td-b3lyp_6-31g+(d).inp 000901809.td-b3lyp_6-31g+(d).log.xz

000901809.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901809.td-b3lyp_6-31+g(d).gjf (generated)

000901809.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901809.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901809.mol 000901809.PUBCHEM 000901809.mol (via Jmol)
000901810.b3lyp_6-31g(d).inp

000901810.b3lyp_6-31g(d).qchem.inp (generated)

000901810.b3lyp_6-31g(d).gjf (generated)

000901810.b3lyp_6-31g(d).firefly.inp (generated)

000901810.b3lyp_6-31g(d).smash.inp (generated)

000901810.b3lyp_6-31g(d).nwchem.inp (generated) 000901810.b3lyp_6-31g(d).log.xz 000901810.td-b3lyp_6-31g+(d).inp 000901810.td-b3lyp_6-31g+(d).log.xz

000901810.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901810.td-b3lyp_6-31+g(d).gjf (generated)

000901810.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901810.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901810.mol 000901810.PUBCHEM 000901810.mol (via Jmol)
000901832.b3lyp_6-31g(d).inp

000901832.b3lyp_6-31g(d).qchem.inp (generated)

000901832.b3lyp_6-31g(d).gjf (generated)

000901832.b3lyp_6-31g(d).firefly.inp (generated)

000901832.b3lyp_6-31g(d).smash.inp (generated)

000901832.b3lyp_6-31g(d).nwchem.inp (generated) 000901832.b3lyp_6-31g(d).log.xz 000901832.mol 000901832.PUBCHEM 000901832.mol (via Jmol)
000901834.b3lyp_6-31g(d).inp

000901834.b3lyp_6-31g(d).qchem.inp (generated)

000901834.b3lyp_6-31g(d).gjf (generated)

000901834.b3lyp_6-31g(d).firefly.inp (generated)

000901834.b3lyp_6-31g(d).smash.inp (generated)

000901834.b3lyp_6-31g(d).nwchem.inp (generated) 000901834.b3lyp_6-31g(d).log.xz 000901834.td-b3lyp_6-31g+(d).inp 000901834.td-b3lyp_6-31g+(d).log.xz

000901834.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901834.td-b3lyp_6-31+g(d).gjf (generated)

000901834.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901834.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901834.mol 000901834.PUBCHEM 000901834.mol (via Jmol)
000901836.b3lyp_6-31g(d).inp

000901836.b3lyp_6-31g(d).qchem.inp (generated)

000901836.b3lyp_6-31g(d).gjf (generated)

000901836.b3lyp_6-31g(d).firefly.inp (generated)

000901836.b3lyp_6-31g(d).smash.inp (generated)

000901836.b3lyp_6-31g(d).nwchem.inp (generated) 000901836.b3lyp_6-31g(d).log.xz 000901836.td-b3lyp_6-31g+(d).inp 000901836.td-b3lyp_6-31g+(d).log.xz

000901836.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901836.td-b3lyp_6-31+g(d).gjf (generated)

000901836.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901836.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901836.mol 000901836.PUBCHEM 000901836.mol (via Jmol)
000901837.b3lyp_6-31g(d).inp

000901837.b3lyp_6-31g(d).qchem.inp (generated)

000901837.b3lyp_6-31g(d).gjf (generated)

000901837.b3lyp_6-31g(d).firefly.inp (generated)

000901837.b3lyp_6-31g(d).smash.inp (generated)

000901837.b3lyp_6-31g(d).nwchem.inp (generated) 000901837.b3lyp_6-31g(d).log.xz 000901837.mol 000901837.PUBCHEM 000901837.mol (via Jmol)
000901838.b3lyp_6-31g(d).inp

000901838.b3lyp_6-31g(d).qchem.inp (generated)

000901838.b3lyp_6-31g(d).gjf (generated)

000901838.b3lyp_6-31g(d).firefly.inp (generated)

000901838.b3lyp_6-31g(d).smash.inp (generated)

000901838.b3lyp_6-31g(d).nwchem.inp (generated) 000901838.b3lyp_6-31g(d).log.xz 000901838.mol 000901838.PUBCHEM 000901838.mol (via Jmol)
000901856.b3lyp_6-31g(d).inp

000901856.b3lyp_6-31g(d).qchem.inp (generated)

000901856.b3lyp_6-31g(d).gjf (generated)

000901856.b3lyp_6-31g(d).firefly.inp (generated)

000901856.b3lyp_6-31g(d).smash.inp (generated)

000901856.b3lyp_6-31g(d).nwchem.inp (generated) 000901856.b3lyp_6-31g(d).log.xz 000901856.td-b3lyp_6-31g+(d).inp 000901856.td-b3lyp_6-31g+(d).log.xz

000901856.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901856.td-b3lyp_6-31+g(d).gjf (generated)

000901856.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901856.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901856.mol 000901856.PUBCHEM 000901856.mol (via Jmol)
000901857.b3lyp_6-31g(d).inp

000901857.b3lyp_6-31g(d).qchem.inp (generated)

000901857.b3lyp_6-31g(d).gjf (generated)

000901857.b3lyp_6-31g(d).firefly.inp (generated)

000901857.b3lyp_6-31g(d).smash.inp (generated)

000901857.b3lyp_6-31g(d).nwchem.inp (generated) 000901857.b3lyp_6-31g(d).log.xz 000901857.td-b3lyp_6-31g+(d).inp 000901857.td-b3lyp_6-31g+(d).log.xz

000901857.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901857.td-b3lyp_6-31+g(d).gjf (generated)

000901857.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901857.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901857.mol 000901857.PUBCHEM 000901857.mol (via Jmol)
000901886.b3lyp_6-31g(d).inp

000901886.b3lyp_6-31g(d).qchem.inp (generated)

000901886.b3lyp_6-31g(d).gjf (generated)

000901886.b3lyp_6-31g(d).firefly.inp (generated)

000901886.b3lyp_6-31g(d).smash.inp (generated)

000901886.b3lyp_6-31g(d).nwchem.inp (generated) 000901886.b3lyp_6-31g(d).log.xz 000901886.td-b3lyp_6-31g+(d).inp 000901886.td-b3lyp_6-31g+(d).log.xz

000901886.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901886.td-b3lyp_6-31+g(d).gjf (generated)

000901886.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901886.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901886.mol 000901886.PUBCHEM 000901886.mol (via Jmol)
000901887.b3lyp_6-31g(d).inp

000901887.b3lyp_6-31g(d).qchem.inp (generated)

000901887.b3lyp_6-31g(d).gjf (generated)

000901887.b3lyp_6-31g(d).firefly.inp (generated)

000901887.b3lyp_6-31g(d).smash.inp (generated)

000901887.b3lyp_6-31g(d).nwchem.inp (generated) 000901887.b3lyp_6-31g(d).log.xz 000901887.td-b3lyp_6-31g+(d).inp 000901887.td-b3lyp_6-31g+(d).log.xz

000901887.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901887.td-b3lyp_6-31+g(d).gjf (generated)

000901887.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901887.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901887.mol 000901887.PUBCHEM 000901887.mol (via Jmol)
000901890.b3lyp_6-31g(d).inp

000901890.b3lyp_6-31g(d).qchem.inp (generated)

000901890.b3lyp_6-31g(d).gjf (generated)

000901890.b3lyp_6-31g(d).firefly.inp (generated)

000901890.b3lyp_6-31g(d).smash.inp (generated)

000901890.b3lyp_6-31g(d).nwchem.inp (generated) 000901890.b3lyp_6-31g(d).log.xz 000901890.td-b3lyp_6-31g+(d).inp 000901890.td-b3lyp_6-31g+(d).log.xz

000901890.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901890.td-b3lyp_6-31+g(d).gjf (generated)

000901890.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901890.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901890.mol 000901890.PUBCHEM 000901890.mol (via Jmol)
000901891.b3lyp_6-31g(d).inp

000901891.b3lyp_6-31g(d).qchem.inp (generated)

000901891.b3lyp_6-31g(d).gjf (generated)

000901891.b3lyp_6-31g(d).firefly.inp (generated)

000901891.b3lyp_6-31g(d).smash.inp (generated)

000901891.b3lyp_6-31g(d).nwchem.inp (generated) 000901891.b3lyp_6-31g(d).log.xz 000901891.td-b3lyp_6-31g+(d).inp 000901891.td-b3lyp_6-31g+(d).log.xz

000901891.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901891.td-b3lyp_6-31+g(d).gjf (generated)

000901891.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901891.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901891.mol 000901891.PUBCHEM 000901891.mol (via Jmol)
000901892.b3lyp_6-31g(d).inp

000901892.b3lyp_6-31g(d).qchem.inp (generated)

000901892.b3lyp_6-31g(d).gjf (generated)

000901892.b3lyp_6-31g(d).firefly.inp (generated)

000901892.b3lyp_6-31g(d).smash.inp (generated)

000901892.b3lyp_6-31g(d).nwchem.inp (generated) 000901892.b3lyp_6-31g(d).log.xz 000901892.td-b3lyp_6-31g+(d).inp 000901892.td-b3lyp_6-31g+(d).log.xz

000901892.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901892.td-b3lyp_6-31+g(d).gjf (generated)

000901892.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901892.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901892.mol 000901892.PUBCHEM 000901892.mol (via Jmol)
000901893.b3lyp_6-31g(d).inp

000901893.b3lyp_6-31g(d).qchem.inp (generated)

000901893.b3lyp_6-31g(d).gjf (generated)

000901893.b3lyp_6-31g(d).firefly.inp (generated)

000901893.b3lyp_6-31g(d).smash.inp (generated)

000901893.b3lyp_6-31g(d).nwchem.inp (generated) 000901893.b3lyp_6-31g(d).log.xz 000901893.td-b3lyp_6-31g+(d).inp 000901893.td-b3lyp_6-31g+(d).log.xz

000901893.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901893.td-b3lyp_6-31+g(d).gjf (generated)

000901893.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901893.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901893.mol 000901893.PUBCHEM 000901893.mol (via Jmol)
000901895.b3lyp_6-31g(d).inp

000901895.b3lyp_6-31g(d).qchem.inp (generated)

000901895.b3lyp_6-31g(d).gjf (generated)

000901895.b3lyp_6-31g(d).firefly.inp (generated)

000901895.b3lyp_6-31g(d).smash.inp (generated)

000901895.b3lyp_6-31g(d).nwchem.inp (generated) 000901895.b3lyp_6-31g(d).log.xz 000901895.td-b3lyp_6-31g+(d).inp 000901895.td-b3lyp_6-31g+(d).log.xz

000901895.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901895.td-b3lyp_6-31+g(d).gjf (generated)

000901895.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901895.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901895.mol 000901895.PUBCHEM 000901895.mol (via Jmol)
000901896.b3lyp_6-31g(d).inp

000901896.b3lyp_6-31g(d).qchem.inp (generated)

000901896.b3lyp_6-31g(d).gjf (generated)

000901896.b3lyp_6-31g(d).firefly.inp (generated)

000901896.b3lyp_6-31g(d).smash.inp (generated)

000901896.b3lyp_6-31g(d).nwchem.inp (generated) 000901896.b3lyp_6-31g(d).log.xz 000901896.td-b3lyp_6-31g+(d).inp 000901896.td-b3lyp_6-31g+(d).log.xz

000901896.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901896.td-b3lyp_6-31+g(d).gjf (generated)

000901896.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901896.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901896.mol 000901896.PUBCHEM 000901896.mol (via Jmol)
000901900.b3lyp_6-31g(d).inp

000901900.b3lyp_6-31g(d).qchem.inp (generated)

000901900.b3lyp_6-31g(d).gjf (generated)

000901900.b3lyp_6-31g(d).firefly.inp (generated)

000901900.b3lyp_6-31g(d).smash.inp (generated)

000901900.b3lyp_6-31g(d).nwchem.inp (generated) 000901900.b3lyp_6-31g(d).log.xz 000901900.td-b3lyp_6-31g+(d).inp 000901900.td-b3lyp_6-31g+(d).log.xz

000901900.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901900.td-b3lyp_6-31+g(d).gjf (generated)

000901900.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901900.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901900.mol 000901900.PUBCHEM 000901900.mol (via Jmol)
000901905.b3lyp_6-31g(d).inp

000901905.b3lyp_6-31g(d).qchem.inp (generated)

000901905.b3lyp_6-31g(d).gjf (generated)

000901905.b3lyp_6-31g(d).firefly.inp (generated)

000901905.b3lyp_6-31g(d).smash.inp (generated)

000901905.b3lyp_6-31g(d).nwchem.inp (generated) 000901905.b3lyp_6-31g(d).log.xz 000901905.td-b3lyp_6-31g+(d).inp 000901905.td-b3lyp_6-31g+(d).log.xz

000901905.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901905.td-b3lyp_6-31+g(d).gjf (generated)

000901905.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901905.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901905.mol 000901905.PUBCHEM 000901905.mol (via Jmol)
000901914.b3lyp_6-31g(d).inp

000901914.b3lyp_6-31g(d).qchem.inp (generated)

000901914.b3lyp_6-31g(d).gjf (generated)

000901914.b3lyp_6-31g(d).firefly.inp (generated)

000901914.b3lyp_6-31g(d).smash.inp (generated)

000901914.b3lyp_6-31g(d).nwchem.inp (generated) 000901914.b3lyp_6-31g(d).log.xz 000901914.td-b3lyp_6-31g+(d).inp 000901914.td-b3lyp_6-31g+(d).log.xz

000901914.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901914.td-b3lyp_6-31+g(d).gjf (generated)

000901914.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901914.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901914.mol 000901914.PUBCHEM 000901914.mol (via Jmol)
000901919.b3lyp_6-31g(d).inp

000901919.b3lyp_6-31g(d).qchem.inp (generated)

000901919.b3lyp_6-31g(d).gjf (generated)

000901919.b3lyp_6-31g(d).firefly.inp (generated)

000901919.b3lyp_6-31g(d).smash.inp (generated)

000901919.b3lyp_6-31g(d).nwchem.inp (generated) 000901919.b3lyp_6-31g(d).log.xz 000901919.td-b3lyp_6-31g+(d).inp 000901919.td-b3lyp_6-31g+(d).log.xz

000901919.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901919.td-b3lyp_6-31+g(d).gjf (generated)

000901919.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901919.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901919.mol 000901919.PUBCHEM 000901919.mol (via Jmol)
000901920.b3lyp_6-31g(d).inp

000901920.b3lyp_6-31g(d).qchem.inp (generated)

000901920.b3lyp_6-31g(d).gjf (generated)

000901920.b3lyp_6-31g(d).firefly.inp (generated)

000901920.b3lyp_6-31g(d).smash.inp (generated)

000901920.b3lyp_6-31g(d).nwchem.inp (generated) 000901920.b3lyp_6-31g(d).log.xz 000901920.td-b3lyp_6-31g+(d).inp 000901920.td-b3lyp_6-31g+(d).log.xz

000901920.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901920.td-b3lyp_6-31+g(d).gjf (generated)

000901920.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901920.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901920.mol 000901920.PUBCHEM 000901920.mol (via Jmol)
000901921.b3lyp_6-31g(d).inp

000901921.b3lyp_6-31g(d).qchem.inp (generated)

000901921.b3lyp_6-31g(d).gjf (generated)

000901921.b3lyp_6-31g(d).firefly.inp (generated)

000901921.b3lyp_6-31g(d).smash.inp (generated)

000901921.b3lyp_6-31g(d).nwchem.inp (generated) 000901921.b3lyp_6-31g(d).log.xz 000901921.td-b3lyp_6-31g+(d).inp 000901921.td-b3lyp_6-31g+(d).log.xz

000901921.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901921.td-b3lyp_6-31+g(d).gjf (generated)

000901921.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901921.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901921.mol 000901921.PUBCHEM 000901921.mol (via Jmol)
000901922.b3lyp_6-31g(d).inp

000901922.b3lyp_6-31g(d).qchem.inp (generated)

000901922.b3lyp_6-31g(d).gjf (generated)

000901922.b3lyp_6-31g(d).firefly.inp (generated)

000901922.b3lyp_6-31g(d).smash.inp (generated)

000901922.b3lyp_6-31g(d).nwchem.inp (generated) 000901922.b3lyp_6-31g(d).log.xz 000901922.td-b3lyp_6-31g+(d).inp 000901922.td-b3lyp_6-31g+(d).log.xz

000901922.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901922.td-b3lyp_6-31+g(d).gjf (generated)

000901922.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901922.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901922.mol 000901922.PUBCHEM 000901922.mol (via Jmol)
000901923.b3lyp_6-31g(d).inp

000901923.b3lyp_6-31g(d).qchem.inp (generated)

000901923.b3lyp_6-31g(d).gjf (generated)

000901923.b3lyp_6-31g(d).firefly.inp (generated)

000901923.b3lyp_6-31g(d).smash.inp (generated)

000901923.b3lyp_6-31g(d).nwchem.inp (generated) 000901923.b3lyp_6-31g(d).log.xz 000901923.td-b3lyp_6-31g+(d).inp 000901923.td-b3lyp_6-31g+(d).log.xz

000901923.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901923.td-b3lyp_6-31+g(d).gjf (generated)

000901923.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901923.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901923.mol 000901923.PUBCHEM 000901923.mol (via Jmol)
000901952.b3lyp_6-31g(d).inp

000901952.b3lyp_6-31g(d).qchem.inp (generated)

000901952.b3lyp_6-31g(d).gjf (generated)

000901952.b3lyp_6-31g(d).firefly.inp (generated)

000901952.b3lyp_6-31g(d).smash.inp (generated)

000901952.b3lyp_6-31g(d).nwchem.inp (generated) 000901952.b3lyp_6-31g(d).log.xz 000901952.td-b3lyp_6-31g+(d).inp 000901952.td-b3lyp_6-31g+(d).log.xz

000901952.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901952.td-b3lyp_6-31+g(d).gjf (generated)

000901952.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901952.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901952.mol 000901952.PUBCHEM 000901952.mol (via Jmol)
000901956.b3lyp_6-31g(d).inp

000901956.b3lyp_6-31g(d).qchem.inp (generated)

000901956.b3lyp_6-31g(d).gjf (generated)

000901956.b3lyp_6-31g(d).firefly.inp (generated)

000901956.b3lyp_6-31g(d).smash.inp (generated)

000901956.b3lyp_6-31g(d).nwchem.inp (generated) 000901956.b3lyp_6-31g(d).log.xz 000901956.td-b3lyp_6-31g+(d).inp 000901956.td-b3lyp_6-31g+(d).log.xz

000901956.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901956.td-b3lyp_6-31+g(d).gjf (generated)

000901956.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901956.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901956.mol 000901956.PUBCHEM 000901956.mol (via Jmol)
000901957.b3lyp_6-31g(d).inp

000901957.b3lyp_6-31g(d).qchem.inp (generated)

000901957.b3lyp_6-31g(d).gjf (generated)

000901957.b3lyp_6-31g(d).firefly.inp (generated)

000901957.b3lyp_6-31g(d).smash.inp (generated)

000901957.b3lyp_6-31g(d).nwchem.inp (generated) 000901957.b3lyp_6-31g(d).log.xz 000901957.td-b3lyp_6-31g+(d).inp 000901957.td-b3lyp_6-31g+(d).log.xz

000901957.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901957.td-b3lyp_6-31+g(d).gjf (generated)

000901957.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901957.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901957.mol 000901957.PUBCHEM 000901957.mol (via Jmol)
000901958.b3lyp_6-31g(d).inp

000901958.b3lyp_6-31g(d).qchem.inp (generated)

000901958.b3lyp_6-31g(d).gjf (generated)

000901958.b3lyp_6-31g(d).firefly.inp (generated)

000901958.b3lyp_6-31g(d).smash.inp (generated)

000901958.b3lyp_6-31g(d).nwchem.inp (generated) 000901958.b3lyp_6-31g(d).log.xz 000901958.td-b3lyp_6-31g+(d).inp 000901958.td-b3lyp_6-31g+(d).log.xz

000901958.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901958.td-b3lyp_6-31+g(d).gjf (generated)

000901958.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901958.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901958.mol 000901958.PUBCHEM 000901958.mol (via Jmol)
000901959.b3lyp_6-31g(d).inp

000901959.b3lyp_6-31g(d).qchem.inp (generated)

000901959.b3lyp_6-31g(d).gjf (generated)

000901959.b3lyp_6-31g(d).firefly.inp (generated)

000901959.b3lyp_6-31g(d).smash.inp (generated)

000901959.b3lyp_6-31g(d).nwchem.inp (generated) 000901959.b3lyp_6-31g(d).log.xz 000901959.td-b3lyp_6-31g+(d).inp 000901959.td-b3lyp_6-31g+(d).log.xz

000901959.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901959.td-b3lyp_6-31+g(d).gjf (generated)

000901959.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901959.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901959.mol 000901959.PUBCHEM 000901959.mol (via Jmol)
000901960.b3lyp_6-31g(d).inp

000901960.b3lyp_6-31g(d).qchem.inp (generated)

000901960.b3lyp_6-31g(d).gjf (generated)

000901960.b3lyp_6-31g(d).firefly.inp (generated)

000901960.b3lyp_6-31g(d).smash.inp (generated)

000901960.b3lyp_6-31g(d).nwchem.inp (generated) 000901960.b3lyp_6-31g(d).log.xz 000901960.td-b3lyp_6-31g+(d).inp 000901960.td-b3lyp_6-31g+(d).log.xz

000901960.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901960.td-b3lyp_6-31+g(d).gjf (generated)

000901960.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901960.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901960.mol 000901960.PUBCHEM 000901960.mol (via Jmol)
000901962.b3lyp_6-31g(d).inp

000901962.b3lyp_6-31g(d).qchem.inp (generated)

000901962.b3lyp_6-31g(d).gjf (generated)

000901962.b3lyp_6-31g(d).firefly.inp (generated)

000901962.b3lyp_6-31g(d).smash.inp (generated)

000901962.b3lyp_6-31g(d).nwchem.inp (generated) 000901962.b3lyp_6-31g(d).log.xz 000901962.td-b3lyp_6-31g+(d).inp 000901962.td-b3lyp_6-31g+(d).log.xz

000901962.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901962.td-b3lyp_6-31+g(d).gjf (generated)

000901962.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901962.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901962.mol 000901962.PUBCHEM 000901962.mol (via Jmol)
000901963.b3lyp_6-31g(d).inp

000901963.b3lyp_6-31g(d).qchem.inp (generated)

000901963.b3lyp_6-31g(d).gjf (generated)

000901963.b3lyp_6-31g(d).firefly.inp (generated)

000901963.b3lyp_6-31g(d).smash.inp (generated)

000901963.b3lyp_6-31g(d).nwchem.inp (generated) 000901963.b3lyp_6-31g(d).log.xz 000901963.td-b3lyp_6-31g+(d).inp 000901963.td-b3lyp_6-31g+(d).log.xz

000901963.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901963.td-b3lyp_6-31+g(d).gjf (generated)

000901963.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901963.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901963.mol 000901963.PUBCHEM 000901963.mol (via Jmol)
000901968.b3lyp_6-31g(d).inp

000901968.b3lyp_6-31g(d).qchem.inp (generated)

000901968.b3lyp_6-31g(d).gjf (generated)

000901968.b3lyp_6-31g(d).firefly.inp (generated)

000901968.b3lyp_6-31g(d).smash.inp (generated)

000901968.b3lyp_6-31g(d).nwchem.inp (generated) 000901968.b3lyp_6-31g(d).log.xz 000901968.td-b3lyp_6-31g+(d).inp 000901968.td-b3lyp_6-31g+(d).log.xz

000901968.td-b3lyp_6-31+g(d).qchem.inp (generated)

000901968.td-b3lyp_6-31+g(d).gjf (generated)

000901968.td-b3lyp_6-31+g(d).firefly.inp (generated)

000901968.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000901968.mol 000901968.PUBCHEM 000901968.mol (via Jmol)
000902016.b3lyp_6-31g(d).inp

000902016.b3lyp_6-31g(d).qchem.inp (generated)

000902016.b3lyp_6-31g(d).gjf (generated)

000902016.b3lyp_6-31g(d).firefly.inp (generated)

000902016.b3lyp_6-31g(d).smash.inp (generated)

000902016.b3lyp_6-31g(d).nwchem.inp (generated) 000902016.b3lyp_6-31g(d).log.xz 000902016.td-b3lyp_6-31g+(d).inp 000902016.td-b3lyp_6-31g+(d).log.xz

000902016.td-b3lyp_6-31+g(d).qchem.inp (generated)

000902016.td-b3lyp_6-31+g(d).gjf (generated)

000902016.td-b3lyp_6-31+g(d).firefly.inp (generated)

000902016.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000902016.mol 000902016.PUBCHEM 000902016.mol (via Jmol)
000902017.b3lyp_6-31g(d).inp

000902017.b3lyp_6-31g(d).qchem.inp (generated)

000902017.b3lyp_6-31g(d).gjf (generated)

000902017.b3lyp_6-31g(d).firefly.inp (generated)

000902017.b3lyp_6-31g(d).smash.inp (generated)

000902017.b3lyp_6-31g(d).nwchem.inp (generated) 000902017.b3lyp_6-31g(d).log.xz 000902017.td-b3lyp_6-31g+(d).inp 000902017.td-b3lyp_6-31g+(d).log.xz

000902017.td-b3lyp_6-31+g(d).qchem.inp (generated)

000902017.td-b3lyp_6-31+g(d).gjf (generated)

000902017.td-b3lyp_6-31+g(d).firefly.inp (generated)

000902017.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000902017.mol 000902017.PUBCHEM 000902017.mol (via Jmol)
000902018.b3lyp_6-31g(d).inp

000902018.b3lyp_6-31g(d).qchem.inp (generated)

000902018.b3lyp_6-31g(d).gjf (generated)

000902018.b3lyp_6-31g(d).firefly.inp (generated)

000902018.b3lyp_6-31g(d).smash.inp (generated)

000902018.b3lyp_6-31g(d).nwchem.inp (generated) 000902018.b3lyp_6-31g(d).log.xz 000902018.td-b3lyp_6-31g+(d).inp 000902018.td-b3lyp_6-31g+(d).log.xz

000902018.td-b3lyp_6-31+g(d).qchem.inp (generated)

000902018.td-b3lyp_6-31+g(d).gjf (generated)

000902018.td-b3lyp_6-31+g(d).firefly.inp (generated)

000902018.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000902018.mol 000902018.PUBCHEM 000902018.mol (via Jmol)
000902025.b3lyp_6-31g(d).inp

000902025.b3lyp_6-31g(d).qchem.inp (generated)

000902025.b3lyp_6-31g(d).gjf (generated)

000902025.b3lyp_6-31g(d).firefly.inp (generated)

000902025.b3lyp_6-31g(d).smash.inp (generated)

000902025.b3lyp_6-31g(d).nwchem.inp (generated) 000902025.b3lyp_6-31g(d).log.xz 000902025.td-b3lyp_6-31g+(d).inp 000902025.td-b3lyp_6-31g+(d).log.xz

000902025.td-b3lyp_6-31+g(d).qchem.inp (generated)

000902025.td-b3lyp_6-31+g(d).gjf (generated)

000902025.td-b3lyp_6-31+g(d).firefly.inp (generated)

000902025.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000902025.mol 000902025.PUBCHEM 000902025.mol (via Jmol)
000902026.b3lyp_6-31g(d).inp

000902026.b3lyp_6-31g(d).qchem.inp (generated)

000902026.b3lyp_6-31g(d).gjf (generated)

000902026.b3lyp_6-31g(d).firefly.inp (generated)

000902026.b3lyp_6-31g(d).smash.inp (generated)

000902026.b3lyp_6-31g(d).nwchem.inp (generated) 000902026.b3lyp_6-31g(d).log.xz 000902026.td-b3lyp_6-31g+(d).inp 000902026.td-b3lyp_6-31g+(d).log.xz

000902026.td-b3lyp_6-31+g(d).qchem.inp (generated)

000902026.td-b3lyp_6-31+g(d).gjf (generated)

000902026.td-b3lyp_6-31+g(d).firefly.inp (generated)

000902026.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000902026.mol 000902026.PUBCHEM 000902026.mol (via Jmol)
000902036.b3lyp_6-31g(d).inp

000902036.b3lyp_6-31g(d).qchem.inp (generated)

000902036.b3lyp_6-31g(d).gjf (generated)

000902036.b3lyp_6-31g(d).firefly.inp (generated)

000902036.b3lyp_6-31g(d).smash.inp (generated)

000902036.b3lyp_6-31g(d).nwchem.inp (generated) 000902036.b3lyp_6-31g(d).log.xz 000902036.td-b3lyp_6-31g+(d).inp 000902036.td-b3lyp_6-31g+(d).log.xz

000902036.td-b3lyp_6-31+g(d).qchem.inp (generated)

000902036.td-b3lyp_6-31+g(d).gjf (generated)

000902036.td-b3lyp_6-31+g(d).firefly.inp (generated)

000902036.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000902036.mol 000902036.PUBCHEM 000902036.mol (via Jmol)
000902040.b3lyp_6-31g(d).inp

000902040.b3lyp_6-31g(d).qchem.inp (generated)

000902040.b3lyp_6-31g(d).gjf (generated)

000902040.b3lyp_6-31g(d).firefly.inp (generated)

000902040.b3lyp_6-31g(d).smash.inp (generated)

000902040.b3lyp_6-31g(d).nwchem.inp (generated) 000902040.b3lyp_6-31g(d).log.xz 000902040.td-b3lyp_6-31g+(d).inp 000902040.td-b3lyp_6-31g+(d).log.xz

000902040.td-b3lyp_6-31+g(d).qchem.inp (generated)

000902040.td-b3lyp_6-31+g(d).gjf (generated)

000902040.td-b3lyp_6-31+g(d).firefly.inp (generated)

000902040.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000902040.mol 000902040.PUBCHEM 000902040.mol (via Jmol)
000902044.b3lyp_6-31g(d).inp

000902044.b3lyp_6-31g(d).qchem.inp (generated)

000902044.b3lyp_6-31g(d).gjf (generated)

000902044.b3lyp_6-31g(d).firefly.inp (generated)

000902044.b3lyp_6-31g(d).smash.inp (generated)

000902044.b3lyp_6-31g(d).nwchem.inp (generated) 000902044.b3lyp_6-31g(d).log.xz 000902044.td-b3lyp_6-31g+(d).inp 000902044.td-b3lyp_6-31g+(d).log.xz

000902044.td-b3lyp_6-31+g(d).qchem.inp (generated)

000902044.td-b3lyp_6-31+g(d).gjf (generated)

000902044.td-b3lyp_6-31+g(d).firefly.inp (generated)

000902044.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000902044.mol 000902044.PUBCHEM 000902044.mol (via Jmol)
000902049.b3lyp_6-31g(d).inp

000902049.b3lyp_6-31g(d).qchem.inp (generated)

000902049.b3lyp_6-31g(d).gjf (generated)

000902049.b3lyp_6-31g(d).firefly.inp (generated)

000902049.b3lyp_6-31g(d).smash.inp (generated)

000902049.b3lyp_6-31g(d).nwchem.inp (generated) 000902049.b3lyp_6-31g(d).log.xz 000902049.td-b3lyp_6-31g+(d).inp 000902049.td-b3lyp_6-31g+(d).log.xz

000902049.td-b3lyp_6-31+g(d).qchem.inp (generated)

000902049.td-b3lyp_6-31+g(d).gjf (generated)

000902049.td-b3lyp_6-31+g(d).firefly.inp (generated)

000902049.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000902049.mol 000902049.PUBCHEM 000902049.mol (via Jmol)
000902054.b3lyp_6-31g(d).inp

000902054.b3lyp_6-31g(d).qchem.inp (generated)

000902054.b3lyp_6-31g(d).gjf (generated)

000902054.b3lyp_6-31g(d).firefly.inp (generated)

000902054.b3lyp_6-31g(d).smash.inp (generated)

000902054.b3lyp_6-31g(d).nwchem.inp (generated) 000902054.b3lyp_6-31g(d).log.xz 000902054.td-b3lyp_6-31g+(d).inp 000902054.td-b3lyp_6-31g+(d).log.xz

000902054.td-b3lyp_6-31+g(d).qchem.inp (generated)

000902054.td-b3lyp_6-31+g(d).gjf (generated)

000902054.td-b3lyp_6-31+g(d).firefly.inp (generated)

000902054.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000902054.mol 000902054.PUBCHEM 000902054.mol (via Jmol)
000902058.b3lyp_6-31g(d).inp

000902058.b3lyp_6-31g(d).qchem.inp (generated)

000902058.b3lyp_6-31g(d).gjf (generated)

000902058.b3lyp_6-31g(d).firefly.inp (generated)

000902058.b3lyp_6-31g(d).smash.inp (generated)

000902058.b3lyp_6-31g(d).nwchem.inp (generated) 000902058.b3lyp_6-31g(d).log.xz 000902058.td-b3lyp_6-31g+(d).inp 000902058.td-b3lyp_6-31g+(d).log.xz

000902058.td-b3lyp_6-31+g(d).qchem.inp (generated)

000902058.td-b3lyp_6-31+g(d).gjf (generated)

000902058.td-b3lyp_6-31+g(d).firefly.inp (generated)

000902058.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000902058.mol 000902058.PUBCHEM 000902058.mol (via Jmol)
000902059.b3lyp_6-31g(d).inp

000902059.b3lyp_6-31g(d).qchem.inp (generated)

000902059.b3lyp_6-31g(d).gjf (generated)

000902059.b3lyp_6-31g(d).firefly.inp (generated)

000902059.b3lyp_6-31g(d).smash.inp (generated)

000902059.b3lyp_6-31g(d).nwchem.inp (generated) 000902059.b3lyp_6-31g(d).log.xz 000902059.td-b3lyp_6-31g+(d).inp 000902059.td-b3lyp_6-31g+(d).log.xz

000902059.td-b3lyp_6-31+g(d).qchem.inp (generated)

000902059.td-b3lyp_6-31+g(d).gjf (generated)

000902059.td-b3lyp_6-31+g(d).firefly.inp (generated)

000902059.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000902059.mol 000902059.PUBCHEM 000902059.mol (via Jmol)
000902069.b3lyp_6-31g(d).inp

000902069.b3lyp_6-31g(d).qchem.inp (generated)

000902069.b3lyp_6-31g(d).gjf (generated)

000902069.b3lyp_6-31g(d).firefly.inp (generated)

000902069.b3lyp_6-31g(d).smash.inp (generated)

000902069.b3lyp_6-31g(d).nwchem.inp (generated) 000902069.b3lyp_6-31g(d).log.xz 000902069.td-b3lyp_6-31g+(d).inp 000902069.td-b3lyp_6-31g+(d).log.xz

000902069.td-b3lyp_6-31+g(d).qchem.inp (generated)

000902069.td-b3lyp_6-31+g(d).gjf (generated)

000902069.td-b3lyp_6-31+g(d).firefly.inp (generated)

000902069.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000902069.mol 000902069.PUBCHEM 000902069.mol (via Jmol)
000902076.b3lyp_6-31g(d).inp

000902076.b3lyp_6-31g(d).qchem.inp (generated)

000902076.b3lyp_6-31g(d).gjf (generated)

000902076.b3lyp_6-31g(d).firefly.inp (generated)

000902076.b3lyp_6-31g(d).smash.inp (generated)

000902076.b3lyp_6-31g(d).nwchem.inp (generated) 000902076.b3lyp_6-31g(d).log.xz 000902076.td-b3lyp_6-31g+(d).inp 000902076.td-b3lyp_6-31g+(d).log.xz

000902076.td-b3lyp_6-31+g(d).qchem.inp (generated)

000902076.td-b3lyp_6-31+g(d).gjf (generated)

000902076.td-b3lyp_6-31+g(d).firefly.inp (generated)

000902076.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000902076.mol 000902076.PUBCHEM 000902076.mol (via Jmol)
000902085.b3lyp_6-31g(d).inp

000902085.b3lyp_6-31g(d).qchem.inp (generated)

000902085.b3lyp_6-31g(d).gjf (generated)

000902085.b3lyp_6-31g(d).firefly.inp (generated)

000902085.b3lyp_6-31g(d).smash.inp (generated)

000902085.b3lyp_6-31g(d).nwchem.inp (generated) 000902085.b3lyp_6-31g(d).log.xz 000902085.td-b3lyp_6-31g+(d).inp 000902085.td-b3lyp_6-31g+(d).log.xz

000902085.td-b3lyp_6-31+g(d).qchem.inp (generated)

000902085.td-b3lyp_6-31+g(d).gjf (generated)

000902085.td-b3lyp_6-31+g(d).firefly.inp (generated)

000902085.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000902085.mol 000902085.PUBCHEM 000902085.mol (via Jmol)
000902097.b3lyp_6-31g(d).inp

000902097.b3lyp_6-31g(d).qchem.inp (generated)

000902097.b3lyp_6-31g(d).gjf (generated)

000902097.b3lyp_6-31g(d).firefly.inp (generated)

000902097.b3lyp_6-31g(d).smash.inp (generated)

000902097.b3lyp_6-31g(d).nwchem.inp (generated) 000902097.b3lyp_6-31g(d).log.xz 000902097.mol 000902097.PUBCHEM 000902097.mol (via Jmol)
000902098.b3lyp_6-31g(d).inp

000902098.b3lyp_6-31g(d).qchem.inp (generated)

000902098.b3lyp_6-31g(d).gjf (generated)

000902098.b3lyp_6-31g(d).firefly.inp (generated)

000902098.b3lyp_6-31g(d).smash.inp (generated)

000902098.b3lyp_6-31g(d).nwchem.inp (generated) 000902098.b3lyp_6-31g(d).log.xz 000902098.mol 000902098.PUBCHEM 000902098.mol (via Jmol)
000902099.b3lyp_6-31g(d).inp

000902099.b3lyp_6-31g(d).qchem.inp (generated)

000902099.b3lyp_6-31g(d).gjf (generated)

000902099.b3lyp_6-31g(d).firefly.inp (generated)

000902099.b3lyp_6-31g(d).smash.inp (generated)

000902099.b3lyp_6-31g(d).nwchem.inp (generated) 000902099.b3lyp_6-31g(d).log.xz 000902099.td-b3lyp_6-31g+(d).inp 000902099.td-b3lyp_6-31g+(d).log.xz

000902099.td-b3lyp_6-31+g(d).qchem.inp (generated)

000902099.td-b3lyp_6-31+g(d).gjf (generated)

000902099.td-b3lyp_6-31+g(d).firefly.inp (generated)

000902099.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000902099.mol 000902099.PUBCHEM 000902099.mol (via Jmol)
000902100.b3lyp_6-31g(d).inp

000902100.b3lyp_6-31g(d).qchem.inp (generated)

000902100.b3lyp_6-31g(d).gjf (generated)

000902100.b3lyp_6-31g(d).firefly.inp (generated)

000902100.b3lyp_6-31g(d).smash.inp (generated)

000902100.b3lyp_6-31g(d).nwchem.inp (generated) 000902100.b3lyp_6-31g(d).log.xz 000902100.td-b3lyp_6-31g+(d).inp 000902100.td-b3lyp_6-31g+(d).log.xz

000902100.td-b3lyp_6-31+g(d).qchem.inp (generated)

000902100.td-b3lyp_6-31+g(d).gjf (generated)

000902100.td-b3lyp_6-31+g(d).firefly.inp (generated)

000902100.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000902100.mol 000902100.PUBCHEM 000902100.mol (via Jmol)
000902101.b3lyp_6-31g(d).inp

000902101.b3lyp_6-31g(d).qchem.inp (generated)

000902101.b3lyp_6-31g(d).gjf (generated)

000902101.b3lyp_6-31g(d).firefly.inp (generated)

000902101.b3lyp_6-31g(d).smash.inp (generated)

000902101.b3lyp_6-31g(d).nwchem.inp (generated) 000902101.b3lyp_6-31g(d).log.xz 000902101.td-b3lyp_6-31g+(d).inp 000902101.td-b3lyp_6-31g+(d).log.xz

000902101.td-b3lyp_6-31+g(d).qchem.inp (generated)

000902101.td-b3lyp_6-31+g(d).gjf (generated)

000902101.td-b3lyp_6-31+g(d).firefly.inp (generated)

000902101.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000902101.mol 000902101.PUBCHEM 000902101.mol (via Jmol)
000902102.b3lyp_6-31g(d).inp

000902102.b3lyp_6-31g(d).qchem.inp (generated)

000902102.b3lyp_6-31g(d).gjf (generated)

000902102.b3lyp_6-31g(d).firefly.inp (generated)

000902102.b3lyp_6-31g(d).smash.inp (generated)

000902102.b3lyp_6-31g(d).nwchem.inp (generated) 000902102.b3lyp_6-31g(d).log.xz 000902102.td-b3lyp_6-31g+(d).inp 000902102.td-b3lyp_6-31g+(d).log.xz

000902102.td-b3lyp_6-31+g(d).qchem.inp (generated)

000902102.td-b3lyp_6-31+g(d).gjf (generated)

000902102.td-b3lyp_6-31+g(d).firefly.inp (generated)

000902102.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000902102.mol 000902102.PUBCHEM 000902102.mol (via Jmol)
000902103.b3lyp_6-31g(d).inp

000902103.b3lyp_6-31g(d).qchem.inp (generated)

000902103.b3lyp_6-31g(d).gjf (generated)

000902103.b3lyp_6-31g(d).firefly.inp (generated)

000902103.b3lyp_6-31g(d).smash.inp (generated)

000902103.b3lyp_6-31g(d).nwchem.inp (generated) 000902103.b3lyp_6-31g(d).log.xz 000902103.mol 000902103.PUBCHEM 000902103.mol (via Jmol)
000902104.b3lyp_6-31g(d).inp

000902104.b3lyp_6-31g(d).qchem.inp (generated)

000902104.b3lyp_6-31g(d).gjf (generated)

000902104.b3lyp_6-31g(d).firefly.inp (generated)

000902104.b3lyp_6-31g(d).smash.inp (generated)

000902104.b3lyp_6-31g(d).nwchem.inp (generated) 000902104.b3lyp_6-31g(d).log.xz 000902104.mol 000902104.PUBCHEM 000902104.mol (via Jmol)
000902105.b3lyp_6-31g(d).inp

000902105.b3lyp_6-31g(d).qchem.inp (generated)

000902105.b3lyp_6-31g(d).gjf (generated)

000902105.b3lyp_6-31g(d).firefly.inp (generated)

000902105.b3lyp_6-31g(d).smash.inp (generated)

000902105.b3lyp_6-31g(d).nwchem.inp (generated) 000902105.b3lyp_6-31g(d).log.xz 000902105.td-b3lyp_6-31g+(d).inp 000902105.td-b3lyp_6-31g+(d).log.xz

000902105.td-b3lyp_6-31+g(d).qchem.inp (generated)

000902105.td-b3lyp_6-31+g(d).gjf (generated)

000902105.td-b3lyp_6-31+g(d).firefly.inp (generated)

000902105.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000902105.mol 000902105.PUBCHEM 000902105.mol (via Jmol)
000902106.b3lyp_6-31g(d).inp

000902106.b3lyp_6-31g(d).qchem.inp (generated)

000902106.b3lyp_6-31g(d).gjf (generated)

000902106.b3lyp_6-31g(d).firefly.inp (generated)

000902106.b3lyp_6-31g(d).smash.inp (generated)

000902106.b3lyp_6-31g(d).nwchem.inp (generated) 000902106.b3lyp_6-31g(d).log.xz 000902106.td-b3lyp_6-31g+(d).inp 000902106.td-b3lyp_6-31g+(d).log.xz

000902106.td-b3lyp_6-31+g(d).qchem.inp (generated)

000902106.td-b3lyp_6-31+g(d).gjf (generated)

000902106.td-b3lyp_6-31+g(d).firefly.inp (generated)

000902106.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000902106.mol 000902106.PUBCHEM 000902106.mol (via Jmol)
000902108.b3lyp_6-31g(d).inp

000902108.b3lyp_6-31g(d).qchem.inp (generated)

000902108.b3lyp_6-31g(d).gjf (generated)

000902108.b3lyp_6-31g(d).firefly.inp (generated)

000902108.b3lyp_6-31g(d).smash.inp (generated)

000902108.b3lyp_6-31g(d).nwchem.inp (generated) 000902108.b3lyp_6-31g(d).log.xz 000902108.td-b3lyp_6-31g+(d).inp 000902108.td-b3lyp_6-31g+(d).log.xz

000902108.td-b3lyp_6-31+g(d).qchem.inp (generated)

000902108.td-b3lyp_6-31+g(d).gjf (generated)

000902108.td-b3lyp_6-31+g(d).firefly.inp (generated)

000902108.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000902108.mol 000902108.PUBCHEM 000902108.mol (via Jmol)
000902109.b3lyp_6-31g(d).inp

000902109.b3lyp_6-31g(d).qchem.inp (generated)

000902109.b3lyp_6-31g(d).gjf (generated)

000902109.b3lyp_6-31g(d).firefly.inp (generated)

000902109.b3lyp_6-31g(d).smash.inp (generated)

000902109.b3lyp_6-31g(d).nwchem.inp (generated) 000902109.b3lyp_6-31g(d).log.xz 000902109.td-b3lyp_6-31g+(d).inp 000902109.td-b3lyp_6-31g+(d).log.xz

000902109.td-b3lyp_6-31+g(d).qchem.inp (generated)

000902109.td-b3lyp_6-31+g(d).gjf (generated)

000902109.td-b3lyp_6-31+g(d).firefly.inp (generated)

000902109.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000902109.mol 000902109.PUBCHEM 000902109.mol (via Jmol)
000902111.b3lyp_6-31g(d).inp

000902111.b3lyp_6-31g(d).qchem.inp (generated)

000902111.b3lyp_6-31g(d).gjf (generated)

000902111.b3lyp_6-31g(d).firefly.inp (generated)

000902111.b3lyp_6-31g(d).smash.inp (generated)

000902111.b3lyp_6-31g(d).nwchem.inp (generated) 000902111.b3lyp_6-31g(d).log.xz 000902111.td-b3lyp_6-31g+(d).inp 000902111.td-b3lyp_6-31g+(d).log.xz

000902111.td-b3lyp_6-31+g(d).qchem.inp (generated)

000902111.td-b3lyp_6-31+g(d).gjf (generated)

000902111.td-b3lyp_6-31+g(d).firefly.inp (generated)

000902111.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000902111.mol 000902111.PUBCHEM 000902111.mol (via Jmol)
000902114.b3lyp_6-31g(d).inp

000902114.b3lyp_6-31g(d).qchem.inp (generated)

000902114.b3lyp_6-31g(d).gjf (generated)

000902114.b3lyp_6-31g(d).firefly.inp (generated)

000902114.b3lyp_6-31g(d).smash.inp (generated)

000902114.b3lyp_6-31g(d).nwchem.inp (generated) 000902114.b3lyp_6-31g(d).log.xz 000902114.mol 000902114.PUBCHEM 000902114.mol (via Jmol)
000902123.b3lyp_6-31g(d).inp

000902123.b3lyp_6-31g(d).qchem.inp (generated)

000902123.b3lyp_6-31g(d).gjf (generated)

000902123.b3lyp_6-31g(d).firefly.inp (generated)

000902123.b3lyp_6-31g(d).smash.inp (generated)

000902123.b3lyp_6-31g(d).nwchem.inp (generated) 000902123.b3lyp_6-31g(d).log.xz 000902123.td-b3lyp_6-31g+(d).inp 000902123.td-b3lyp_6-31g+(d).log.xz

000902123.td-b3lyp_6-31+g(d).qchem.inp (generated)

000902123.td-b3lyp_6-31+g(d).gjf (generated)

000902123.td-b3lyp_6-31+g(d).firefly.inp (generated)

000902123.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000902123.mol 000902123.PUBCHEM 000902123.mol (via Jmol)
000902138.b3lyp_6-31g(d).inp

000902138.b3lyp_6-31g(d).qchem.inp (generated)

000902138.b3lyp_6-31g(d).gjf (generated)

000902138.b3lyp_6-31g(d).firefly.inp (generated)

000902138.b3lyp_6-31g(d).smash.inp (generated)

000902138.b3lyp_6-31g(d).nwchem.inp (generated) 000902138.b3lyp_6-31g(d).log.xz 000902138.td-b3lyp_6-31g+(d).inp 000902138.td-b3lyp_6-31g+(d).log.xz

000902138.td-b3lyp_6-31+g(d).qchem.inp (generated)

000902138.td-b3lyp_6-31+g(d).gjf (generated)

000902138.td-b3lyp_6-31+g(d).firefly.inp (generated)

000902138.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000902138.mol 000902138.PUBCHEM 000902138.mol (via Jmol)
000902140.b3lyp_6-31g(d).inp

000902140.b3lyp_6-31g(d).qchem.inp (generated)

000902140.b3lyp_6-31g(d).gjf (generated)

000902140.b3lyp_6-31g(d).firefly.inp (generated)

000902140.b3lyp_6-31g(d).smash.inp (generated)

000902140.b3lyp_6-31g(d).nwchem.inp (generated) 000902140.b3lyp_6-31g(d).log.xz 000902140.td-b3lyp_6-31g+(d).inp 000902140.td-b3lyp_6-31g+(d).log.xz

000902140.td-b3lyp_6-31+g(d).qchem.inp (generated)

000902140.td-b3lyp_6-31+g(d).gjf (generated)

000902140.td-b3lyp_6-31+g(d).firefly.inp (generated)

000902140.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000902140.mol 000902140.PUBCHEM 000902140.mol (via Jmol)
000902144.b3lyp_6-31g(d).inp

000902144.b3lyp_6-31g(d).qchem.inp (generated)

000902144.b3lyp_6-31g(d).gjf (generated)

000902144.b3lyp_6-31g(d).firefly.inp (generated)

000902144.b3lyp_6-31g(d).smash.inp (generated)

000902144.b3lyp_6-31g(d).nwchem.inp (generated) 000902144.b3lyp_6-31g(d).log.xz 000902144.td-b3lyp_6-31g+(d).inp 000902144.td-b3lyp_6-31g+(d).log.xz

000902144.td-b3lyp_6-31+g(d).qchem.inp (generated)

000902144.td-b3lyp_6-31+g(d).gjf (generated)

000902144.td-b3lyp_6-31+g(d).firefly.inp (generated)

000902144.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000902144.mol 000902144.PUBCHEM 000902144.mol (via Jmol)
000902148.b3lyp_6-31g(d).inp

000902148.b3lyp_6-31g(d).qchem.inp (generated)

000902148.b3lyp_6-31g(d).gjf (generated)

000902148.b3lyp_6-31g(d).firefly.inp (generated)

000902148.b3lyp_6-31g(d).smash.inp (generated)

000902148.b3lyp_6-31g(d).nwchem.inp (generated) 000902148.b3lyp_6-31g(d).log.xz 000902148.td-b3lyp_6-31g+(d).inp 000902148.td-b3lyp_6-31g+(d).log.xz

000902148.td-b3lyp_6-31+g(d).qchem.inp (generated)

000902148.td-b3lyp_6-31+g(d).gjf (generated)

000902148.td-b3lyp_6-31+g(d).firefly.inp (generated)

000902148.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000902148.mol 000902148.PUBCHEM 000902148.mol (via Jmol)
000902149.b3lyp_6-31g(d).inp

000902149.b3lyp_6-31g(d).qchem.inp (generated)

000902149.b3lyp_6-31g(d).gjf (generated)

000902149.b3lyp_6-31g(d).firefly.inp (generated)

000902149.b3lyp_6-31g(d).smash.inp (generated)

000902149.b3lyp_6-31g(d).nwchem.inp (generated) 000902149.b3lyp_6-31g(d).log.xz 000902149.mol 000902149.PUBCHEM 000902149.mol (via Jmol)
000902152.b3lyp_6-31g(d).inp

000902152.b3lyp_6-31g(d).qchem.inp (generated)

000902152.b3lyp_6-31g(d).gjf (generated)

000902152.b3lyp_6-31g(d).firefly.inp (generated)

000902152.b3lyp_6-31g(d).smash.inp (generated)

000902152.b3lyp_6-31g(d).nwchem.inp (generated) 000902152.b3lyp_6-31g(d).log.xz 000902152.td-b3lyp_6-31g+(d).inp 000902152.td-b3lyp_6-31g+(d).log.xz

000902152.td-b3lyp_6-31+g(d).qchem.inp (generated)

000902152.td-b3lyp_6-31+g(d).gjf (generated)

000902152.td-b3lyp_6-31+g(d).firefly.inp (generated)

000902152.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000902152.mol 000902152.PUBCHEM 000902152.mol (via Jmol)
000902153.b3lyp_6-31g(d).inp

000902153.b3lyp_6-31g(d).qchem.inp (generated)

000902153.b3lyp_6-31g(d).gjf (generated)

000902153.b3lyp_6-31g(d).firefly.inp (generated)

000902153.b3lyp_6-31g(d).smash.inp (generated)

000902153.b3lyp_6-31g(d).nwchem.inp (generated) 000902153.b3lyp_6-31g(d).log.xz 000902153.mol 000902153.PUBCHEM 000902153.mol (via Jmol)
000902159.b3lyp_6-31g(d).inp

000902159.b3lyp_6-31g(d).qchem.inp (generated)

000902159.b3lyp_6-31g(d).gjf (generated)

000902159.b3lyp_6-31g(d).firefly.inp (generated)

000902159.b3lyp_6-31g(d).smash.inp (generated)

000902159.b3lyp_6-31g(d).nwchem.inp (generated) 000902159.b3lyp_6-31g(d).log.xz 000902159.mol 000902159.PUBCHEM 000902159.mol (via Jmol)
000902160.b3lyp_6-31g(d).inp

000902160.b3lyp_6-31g(d).qchem.inp (generated)

000902160.b3lyp_6-31g(d).gjf (generated)

000902160.b3lyp_6-31g(d).firefly.inp (generated)

000902160.b3lyp_6-31g(d).smash.inp (generated)

000902160.b3lyp_6-31g(d).nwchem.inp (generated) 000902160.b3lyp_6-31g(d).log.xz 000902160.mol 000902160.PUBCHEM 000902160.mol (via Jmol)
000902169.b3lyp_6-31g(d).inp

000902169.b3lyp_6-31g(d).qchem.inp (generated)

000902169.b3lyp_6-31g(d).gjf (generated)

000902169.b3lyp_6-31g(d).firefly.inp (generated)

000902169.b3lyp_6-31g(d).smash.inp (generated)

000902169.b3lyp_6-31g(d).nwchem.inp (generated) 000902169.b3lyp_6-31g(d).log.xz 000902169.mol 000902169.PUBCHEM 000902169.mol (via Jmol)
000902170.b3lyp_6-31g(d).inp

000902170.b3lyp_6-31g(d).qchem.inp (generated)

000902170.b3lyp_6-31g(d).gjf (generated)

000902170.b3lyp_6-31g(d).firefly.inp (generated)

000902170.b3lyp_6-31g(d).smash.inp (generated)

000902170.b3lyp_6-31g(d).nwchem.inp (generated) 000902170.b3lyp_6-31g(d).log.xz 000902170.td-b3lyp_6-31g+(d).inp 000902170.td-b3lyp_6-31g+(d).log.xz

000902170.td-b3lyp_6-31+g(d).qchem.inp (generated)

000902170.td-b3lyp_6-31+g(d).gjf (generated)

000902170.td-b3lyp_6-31+g(d).firefly.inp (generated)

000902170.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000902170.mol 000902170.PUBCHEM 000902170.mol (via Jmol)
000902171.b3lyp_6-31g(d).inp

000902171.b3lyp_6-31g(d).qchem.inp (generated)

000902171.b3lyp_6-31g(d).gjf (generated)

000902171.b3lyp_6-31g(d).firefly.inp (generated)

000902171.b3lyp_6-31g(d).smash.inp (generated)

000902171.b3lyp_6-31g(d).nwchem.inp (generated) 000902171.b3lyp_6-31g(d).log.xz 000902171.td-b3lyp_6-31g+(d).inp 000902171.td-b3lyp_6-31g+(d).log.xz

000902171.td-b3lyp_6-31+g(d).qchem.inp (generated)

000902171.td-b3lyp_6-31+g(d).gjf (generated)

000902171.td-b3lyp_6-31+g(d).firefly.inp (generated)

000902171.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000902171.mol 000902171.PUBCHEM 000902171.mol (via Jmol)
000902193.b3lyp_6-31g(d).inp

000902193.b3lyp_6-31g(d).qchem.inp (generated)

000902193.b3lyp_6-31g(d).gjf (generated)

000902193.b3lyp_6-31g(d).firefly.inp (generated)

000902193.b3lyp_6-31g(d).smash.inp (generated)

000902193.b3lyp_6-31g(d).nwchem.inp (generated) 000902193.b3lyp_6-31g(d).log.xz 000902193.td-b3lyp_6-31g+(d).inp 000902193.td-b3lyp_6-31g+(d).log.xz

000902193.td-b3lyp_6-31+g(d).qchem.inp (generated)

000902193.td-b3lyp_6-31+g(d).gjf (generated)

000902193.td-b3lyp_6-31+g(d).firefly.inp (generated)

000902193.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000902193.mol 000902193.PUBCHEM 000902193.mol (via Jmol)
000902196.b3lyp_6-31g(d).inp

000902196.b3lyp_6-31g(d).qchem.inp (generated)

000902196.b3lyp_6-31g(d).gjf (generated)

000902196.b3lyp_6-31g(d).firefly.inp (generated)

000902196.b3lyp_6-31g(d).smash.inp (generated)

000902196.b3lyp_6-31g(d).nwchem.inp (generated) 000902196.b3lyp_6-31g(d).log.xz 000902196.td-b3lyp_6-31g+(d).inp 000902196.td-b3lyp_6-31g+(d).log.xz

000902196.td-b3lyp_6-31+g(d).qchem.inp (generated)

000902196.td-b3lyp_6-31+g(d).gjf (generated)

000902196.td-b3lyp_6-31+g(d).firefly.inp (generated)

000902196.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000902196.mol 000902196.PUBCHEM 000902196.mol (via Jmol)
000902221.b3lyp_6-31g(d).inp

000902221.b3lyp_6-31g(d).qchem.inp (generated)

000902221.b3lyp_6-31g(d).gjf (generated)

000902221.b3lyp_6-31g(d).firefly.inp (generated)

000902221.b3lyp_6-31g(d).smash.inp (generated)

000902221.b3lyp_6-31g(d).nwchem.inp (generated) 000902221.b3lyp_6-31g(d).log.xz 000902221.td-b3lyp_6-31g+(d).inp 000902221.td-b3lyp_6-31g+(d).log.xz

000902221.td-b3lyp_6-31+g(d).qchem.inp (generated)

000902221.td-b3lyp_6-31+g(d).gjf (generated)

000902221.td-b3lyp_6-31+g(d).firefly.inp (generated)

000902221.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000902221.mol 000902221.PUBCHEM 000902221.mol (via Jmol)
000902225.b3lyp_6-31g(d).inp

000902225.b3lyp_6-31g(d).qchem.inp (generated)

000902225.b3lyp_6-31g(d).gjf (generated)

000902225.b3lyp_6-31g(d).firefly.inp (generated)

000902225.b3lyp_6-31g(d).smash.inp (generated)

000902225.b3lyp_6-31g(d).nwchem.inp (generated) 000902225.b3lyp_6-31g(d).log.xz 000902225.mol 000902225.PUBCHEM 000902225.mol (via Jmol)
000902228.b3lyp_6-31g(d).inp

000902228.b3lyp_6-31g(d).qchem.inp (generated)

000902228.b3lyp_6-31g(d).gjf (generated)

000902228.b3lyp_6-31g(d).firefly.inp (generated)

000902228.b3lyp_6-31g(d).smash.inp (generated)

000902228.b3lyp_6-31g(d).nwchem.inp (generated) 000902228.b3lyp_6-31g(d).log.xz 000902228.td-b3lyp_6-31g+(d).inp 000902228.td-b3lyp_6-31g+(d).log.xz

000902228.td-b3lyp_6-31+g(d).qchem.inp (generated)

000902228.td-b3lyp_6-31+g(d).gjf (generated)

000902228.td-b3lyp_6-31+g(d).firefly.inp (generated)

000902228.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000902228.mol 000902228.PUBCHEM 000902228.mol (via Jmol)
000902232.b3lyp_6-31g(d).inp

000902232.b3lyp_6-31g(d).qchem.inp (generated)

000902232.b3lyp_6-31g(d).gjf (generated)

000902232.b3lyp_6-31g(d).firefly.inp (generated)

000902232.b3lyp_6-31g(d).smash.inp (generated)

000902232.b3lyp_6-31g(d).nwchem.inp (generated) 000902232.b3lyp_6-31g(d).log.xz 000902232.mol 000902232.PUBCHEM 000902232.mol (via Jmol)
000902238.b3lyp_6-31g(d).inp

000902238.b3lyp_6-31g(d).qchem.inp (generated)

000902238.b3lyp_6-31g(d).gjf (generated)

000902238.b3lyp_6-31g(d).firefly.inp (generated)

000902238.b3lyp_6-31g(d).smash.inp (generated)

000902238.b3lyp_6-31g(d).nwchem.inp (generated) 000902238.b3lyp_6-31g(d).log.xz 000902238.td-b3lyp_6-31g+(d).inp 000902238.td-b3lyp_6-31g+(d).log.xz

000902238.td-b3lyp_6-31+g(d).qchem.inp (generated)

000902238.td-b3lyp_6-31+g(d).gjf (generated)

000902238.td-b3lyp_6-31+g(d).firefly.inp (generated)

000902238.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000902238.mol 000902238.PUBCHEM 000902238.mol (via Jmol)
000902243.b3lyp_6-31g(d).inp

000902243.b3lyp_6-31g(d).qchem.inp (generated)

000902243.b3lyp_6-31g(d).gjf (generated)

000902243.b3lyp_6-31g(d).firefly.inp (generated)

000902243.b3lyp_6-31g(d).smash.inp (generated)

000902243.b3lyp_6-31g(d).nwchem.inp (generated) 000902243.b3lyp_6-31g(d).log.xz 000902243.td-b3lyp_6-31g+(d).inp 000902243.td-b3lyp_6-31g+(d).log.xz

000902243.td-b3lyp_6-31+g(d).qchem.inp (generated)

000902243.td-b3lyp_6-31+g(d).gjf (generated)

000902243.td-b3lyp_6-31+g(d).firefly.inp (generated)

000902243.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000902243.mol 000902243.PUBCHEM 000902243.mol (via Jmol)
000902250.b3lyp_6-31g(d).inp

000902250.b3lyp_6-31g(d).qchem.inp (generated)

000902250.b3lyp_6-31g(d).gjf (generated)

000902250.b3lyp_6-31g(d).firefly.inp (generated)

000902250.b3lyp_6-31g(d).smash.inp (generated)

000902250.b3lyp_6-31g(d).nwchem.inp (generated) 000902250.b3lyp_6-31g(d).log.xz 000902250.td-b3lyp_6-31g+(d).inp 000902250.td-b3lyp_6-31g+(d).log.xz

000902250.td-b3lyp_6-31+g(d).qchem.inp (generated)

000902250.td-b3lyp_6-31+g(d).gjf (generated)

000902250.td-b3lyp_6-31+g(d).firefly.inp (generated)

000902250.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000902250.mol 000902250.PUBCHEM 000902250.mol (via Jmol)
000902252.b3lyp_6-31g(d).inp

000902252.b3lyp_6-31g(d).qchem.inp (generated)

000902252.b3lyp_6-31g(d).gjf (generated)

000902252.b3lyp_6-31g(d).firefly.inp (generated)

000902252.b3lyp_6-31g(d).smash.inp (generated)

000902252.b3lyp_6-31g(d).nwchem.inp (generated) 000902252.b3lyp_6-31g(d).log.xz 000902252.td-b3lyp_6-31g+(d).inp 000902252.td-b3lyp_6-31g+(d).log.xz

000902252.td-b3lyp_6-31+g(d).qchem.inp (generated)

000902252.td-b3lyp_6-31+g(d).gjf (generated)

000902252.td-b3lyp_6-31+g(d).firefly.inp (generated)

000902252.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000902252.mol 000902252.PUBCHEM 000902252.mol (via Jmol)
000902253.b3lyp_6-31g(d).inp

000902253.b3lyp_6-31g(d).qchem.inp (generated)

000902253.b3lyp_6-31g(d).gjf (generated)

000902253.b3lyp_6-31g(d).firefly.inp (generated)

000902253.b3lyp_6-31g(d).smash.inp (generated)

000902253.b3lyp_6-31g(d).nwchem.inp (generated) 000902253.b3lyp_6-31g(d).log.xz 000902253.mol 000902253.PUBCHEM 000902253.mol (via Jmol)
000902255.b3lyp_6-31g(d).inp

000902255.b3lyp_6-31g(d).qchem.inp (generated)

000902255.b3lyp_6-31g(d).gjf (generated)

000902255.b3lyp_6-31g(d).firefly.inp (generated)

000902255.b3lyp_6-31g(d).smash.inp (generated)

000902255.b3lyp_6-31g(d).nwchem.inp (generated) 000902255.b3lyp_6-31g(d).log.xz 000902255.mol 000902255.PUBCHEM 000902255.mol (via Jmol)
000902257.b3lyp_6-31g(d).inp

000902257.b3lyp_6-31g(d).qchem.inp (generated)

000902257.b3lyp_6-31g(d).gjf (generated)

000902257.b3lyp_6-31g(d).firefly.inp (generated)

000902257.b3lyp_6-31g(d).smash.inp (generated)

000902257.b3lyp_6-31g(d).nwchem.inp (generated) 000902257.b3lyp_6-31g(d).log.xz 000902257.td-b3lyp_6-31g+(d).inp 000902257.td-b3lyp_6-31g+(d).log.xz

000902257.td-b3lyp_6-31+g(d).qchem.inp (generated)

000902257.td-b3lyp_6-31+g(d).gjf (generated)

000902257.td-b3lyp_6-31+g(d).firefly.inp (generated)

000902257.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000902257.mol 000902257.PUBCHEM 000902257.mol (via Jmol)
000902287.b3lyp_6-31g(d).inp

000902287.b3lyp_6-31g(d).qchem.inp (generated)

000902287.b3lyp_6-31g(d).gjf (generated)

000902287.b3lyp_6-31g(d).firefly.inp (generated)

000902287.b3lyp_6-31g(d).smash.inp (generated)

000902287.b3lyp_6-31g(d).nwchem.inp (generated) 000902287.b3lyp_6-31g(d).log.xz 000902287.td-b3lyp_6-31g+(d).inp 000902287.td-b3lyp_6-31g+(d).log.xz

000902287.td-b3lyp_6-31+g(d).qchem.inp (generated)

000902287.td-b3lyp_6-31+g(d).gjf (generated)

000902287.td-b3lyp_6-31+g(d).firefly.inp (generated)

000902287.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000902287.mol 000902287.PUBCHEM 000902287.mol (via Jmol)
000902305.b3lyp_6-31g(d).inp

000902305.b3lyp_6-31g(d).qchem.inp (generated)

000902305.b3lyp_6-31g(d).gjf (generated)

000902305.b3lyp_6-31g(d).firefly.inp (generated)

000902305.b3lyp_6-31g(d).smash.inp (generated)

000902305.b3lyp_6-31g(d).nwchem.inp (generated) 000902305.b3lyp_6-31g(d).log.xz 000902305.td-b3lyp_6-31g+(d).inp 000902305.td-b3lyp_6-31g+(d).log.xz

000902305.td-b3lyp_6-31+g(d).qchem.inp (generated)

000902305.td-b3lyp_6-31+g(d).gjf (generated)

000902305.td-b3lyp_6-31+g(d).firefly.inp (generated)

000902305.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000902305.mol 000902305.PUBCHEM 000902305.mol (via Jmol)
000902306.b3lyp_6-31g(d).inp

000902306.b3lyp_6-31g(d).qchem.inp (generated)

000902306.b3lyp_6-31g(d).gjf (generated)

000902306.b3lyp_6-31g(d).firefly.inp (generated)

000902306.b3lyp_6-31g(d).smash.inp (generated)

000902306.b3lyp_6-31g(d).nwchem.inp (generated) 000902306.b3lyp_6-31g(d).log.xz 000902306.td-b3lyp_6-31g+(d).inp 000902306.td-b3lyp_6-31g+(d).log.xz

000902306.td-b3lyp_6-31+g(d).qchem.inp (generated)

000902306.td-b3lyp_6-31+g(d).gjf (generated)

000902306.td-b3lyp_6-31+g(d).firefly.inp (generated)

000902306.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000902306.mol 000902306.PUBCHEM 000902306.mol (via Jmol)
000902332.b3lyp_6-31g(d).inp

000902332.b3lyp_6-31g(d).qchem.inp (generated)

000902332.b3lyp_6-31g(d).gjf (generated)

000902332.b3lyp_6-31g(d).firefly.inp (generated)

000902332.b3lyp_6-31g(d).smash.inp (generated)

000902332.b3lyp_6-31g(d).nwchem.inp (generated) 000902332.b3lyp_6-31g(d).log.xz 000902332.td-b3lyp_6-31g+(d).inp 000902332.td-b3lyp_6-31g+(d).log.xz

000902332.td-b3lyp_6-31+g(d).qchem.inp (generated)

000902332.td-b3lyp_6-31+g(d).gjf (generated)

000902332.td-b3lyp_6-31+g(d).firefly.inp (generated)

000902332.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000902332.mol 000902332.PUBCHEM 000902332.mol (via Jmol)
000902333.b3lyp_6-31g(d).inp

000902333.b3lyp_6-31g(d).qchem.inp (generated)

000902333.b3lyp_6-31g(d).gjf (generated)

000902333.b3lyp_6-31g(d).firefly.inp (generated)

000902333.b3lyp_6-31g(d).smash.inp (generated)

000902333.b3lyp_6-31g(d).nwchem.inp (generated) 000902333.b3lyp_6-31g(d).log.xz 000902333.td-b3lyp_6-31g+(d).inp 000902333.td-b3lyp_6-31g+(d).log.xz

000902333.td-b3lyp_6-31+g(d).qchem.inp (generated)

000902333.td-b3lyp_6-31+g(d).gjf (generated)

000902333.td-b3lyp_6-31+g(d).firefly.inp (generated)

000902333.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000902333.mol 000902333.PUBCHEM 000902333.mol (via Jmol)
000902337.b3lyp_6-31g(d).inp

000902337.b3lyp_6-31g(d).qchem.inp (generated)

000902337.b3lyp_6-31g(d).gjf (generated)

000902337.b3lyp_6-31g(d).firefly.inp (generated)

000902337.b3lyp_6-31g(d).smash.inp (generated)

000902337.b3lyp_6-31g(d).nwchem.inp (generated) 000902337.b3lyp_6-31g(d).log.xz 000902337.td-b3lyp_6-31g+(d).inp 000902337.td-b3lyp_6-31g+(d).log.xz

000902337.td-b3lyp_6-31+g(d).qchem.inp (generated)

000902337.td-b3lyp_6-31+g(d).gjf (generated)

000902337.td-b3lyp_6-31+g(d).firefly.inp (generated)

000902337.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000902337.mol 000902337.PUBCHEM 000902337.mol (via Jmol)
000902345.b3lyp_6-31g(d).inp

000902345.b3lyp_6-31g(d).qchem.inp (generated)

000902345.b3lyp_6-31g(d).gjf (generated)

000902345.b3lyp_6-31g(d).firefly.inp (generated)

000902345.b3lyp_6-31g(d).smash.inp (generated)

000902345.b3lyp_6-31g(d).nwchem.inp (generated) 000902345.b3lyp_6-31g(d).log.xz 000902345.td-b3lyp_6-31g+(d).inp 000902345.td-b3lyp_6-31g+(d).log.xz

000902345.td-b3lyp_6-31+g(d).qchem.inp (generated)

000902345.td-b3lyp_6-31+g(d).gjf (generated)

000902345.td-b3lyp_6-31+g(d).firefly.inp (generated)

000902345.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000902345.mol 000902345.PUBCHEM 000902345.mol (via Jmol)
000902346.b3lyp_6-31g(d).inp

000902346.b3lyp_6-31g(d).qchem.inp (generated)

000902346.b3lyp_6-31g(d).gjf (generated)

000902346.b3lyp_6-31g(d).firefly.inp (generated)

000902346.b3lyp_6-31g(d).smash.inp (generated)

000902346.b3lyp_6-31g(d).nwchem.inp (generated) 000902346.b3lyp_6-31g(d).log.xz 000902346.td-b3lyp_6-31g+(d).inp 000902346.td-b3lyp_6-31g+(d).log.xz

000902346.td-b3lyp_6-31+g(d).qchem.inp (generated)

000902346.td-b3lyp_6-31+g(d).gjf (generated)

000902346.td-b3lyp_6-31+g(d).firefly.inp (generated)

000902346.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000902346.mol 000902346.PUBCHEM 000902346.mol (via Jmol)
000902349.b3lyp_6-31g(d).inp

000902349.b3lyp_6-31g(d).qchem.inp (generated)

000902349.b3lyp_6-31g(d).gjf (generated)

000902349.b3lyp_6-31g(d).firefly.inp (generated)

000902349.b3lyp_6-31g(d).smash.inp (generated)

000902349.b3lyp_6-31g(d).nwchem.inp (generated) 000902349.b3lyp_6-31g(d).log.xz 000902349.td-b3lyp_6-31g+(d).inp 000902349.td-b3lyp_6-31g+(d).log.xz

000902349.td-b3lyp_6-31+g(d).qchem.inp (generated)

000902349.td-b3lyp_6-31+g(d).gjf (generated)

000902349.td-b3lyp_6-31+g(d).firefly.inp (generated)

000902349.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000902349.mol 000902349.PUBCHEM 000902349.mol (via Jmol)
000902351.b3lyp_6-31g(d).inp

000902351.b3lyp_6-31g(d).qchem.inp (generated)

000902351.b3lyp_6-31g(d).gjf (generated)

000902351.b3lyp_6-31g(d).firefly.inp (generated)

000902351.b3lyp_6-31g(d).smash.inp (generated)

000902351.b3lyp_6-31g(d).nwchem.inp (generated) 000902351.b3lyp_6-31g(d).log.xz 000902351.td-b3lyp_6-31g+(d).inp 000902351.td-b3lyp_6-31g+(d).log.xz

000902351.td-b3lyp_6-31+g(d).qchem.inp (generated)

000902351.td-b3lyp_6-31+g(d).gjf (generated)

000902351.td-b3lyp_6-31+g(d).firefly.inp (generated)

000902351.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000902351.mol 000902351.PUBCHEM 000902351.mol (via Jmol)
000902352.b3lyp_6-31g(d).inp

000902352.b3lyp_6-31g(d).qchem.inp (generated)

000902352.b3lyp_6-31g(d).gjf (generated)

000902352.b3lyp_6-31g(d).firefly.inp (generated)

000902352.b3lyp_6-31g(d).smash.inp (generated)

000902352.b3lyp_6-31g(d).nwchem.inp (generated) 000902352.b3lyp_6-31g(d).log.xz 000902352.mol 000902352.PUBCHEM 000902352.mol (via Jmol)
000902393.b3lyp_6-31g(d).inp

000902393.b3lyp_6-31g(d).qchem.inp (generated)

000902393.b3lyp_6-31g(d).gjf (generated)

000902393.b3lyp_6-31g(d).firefly.inp (generated)

000902393.b3lyp_6-31g(d).smash.inp (generated)

000902393.b3lyp_6-31g(d).nwchem.inp (generated) 000902393.b3lyp_6-31g(d).log.xz 000902393.mol 000902393.PUBCHEM 000902393.mol (via Jmol)
000902442.b3lyp_6-31g(d).inp

000902442.b3lyp_6-31g(d).qchem.inp (generated)

000902442.b3lyp_6-31g(d).gjf (generated)

000902442.b3lyp_6-31g(d).firefly.inp (generated)

000902442.b3lyp_6-31g(d).smash.inp (generated)

000902442.b3lyp_6-31g(d).nwchem.inp (generated) 000902442.b3lyp_6-31g(d).log.xz 000902442.td-b3lyp_6-31g+(d).inp 000902442.td-b3lyp_6-31g+(d).log.xz

000902442.td-b3lyp_6-31+g(d).qchem.inp (generated)

000902442.td-b3lyp_6-31+g(d).gjf (generated)

000902442.td-b3lyp_6-31+g(d).firefly.inp (generated)

000902442.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000902442.mol 000902442.PUBCHEM 000902442.mol (via Jmol)
000902451.b3lyp_6-31g(d).inp

000902451.b3lyp_6-31g(d).qchem.inp (generated)

000902451.b3lyp_6-31g(d).gjf (generated)

000902451.b3lyp_6-31g(d).firefly.inp (generated)

000902451.b3lyp_6-31g(d).smash.inp (generated)

000902451.b3lyp_6-31g(d).nwchem.inp (generated) 000902451.b3lyp_6-31g(d).log.xz 000902451.td-b3lyp_6-31g+(d).inp 000902451.td-b3lyp_6-31g+(d).log.xz

000902451.td-b3lyp_6-31+g(d).qchem.inp (generated)

000902451.td-b3lyp_6-31+g(d).gjf (generated)

000902451.td-b3lyp_6-31+g(d).firefly.inp (generated)

000902451.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000902451.mol 000902451.PUBCHEM 000902451.mol (via Jmol)
000902452.b3lyp_6-31g(d).inp

000902452.b3lyp_6-31g(d).qchem.inp (generated)

000902452.b3lyp_6-31g(d).gjf (generated)

000902452.b3lyp_6-31g(d).firefly.inp (generated)

000902452.b3lyp_6-31g(d).smash.inp (generated)

000902452.b3lyp_6-31g(d).nwchem.inp (generated) 000902452.b3lyp_6-31g(d).log.xz 000902452.td-b3lyp_6-31g+(d).inp 000902452.td-b3lyp_6-31g+(d).log.xz

000902452.td-b3lyp_6-31+g(d).qchem.inp (generated)

000902452.td-b3lyp_6-31+g(d).gjf (generated)

000902452.td-b3lyp_6-31+g(d).firefly.inp (generated)

000902452.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000902452.mol 000902452.PUBCHEM 000902452.mol (via Jmol)
000902459.b3lyp_6-31g(d).inp

000902459.b3lyp_6-31g(d).qchem.inp (generated)

000902459.b3lyp_6-31g(d).gjf (generated)

000902459.b3lyp_6-31g(d).firefly.inp (generated)

000902459.b3lyp_6-31g(d).smash.inp (generated)

000902459.b3lyp_6-31g(d).nwchem.inp (generated) 000902459.b3lyp_6-31g(d).log.xz 000902459.td-b3lyp_6-31g+(d).inp 000902459.td-b3lyp_6-31g+(d).log.xz

000902459.td-b3lyp_6-31+g(d).qchem.inp (generated)

000902459.td-b3lyp_6-31+g(d).gjf (generated)

000902459.td-b3lyp_6-31+g(d).firefly.inp (generated)

000902459.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000902459.mol 000902459.PUBCHEM 000902459.mol (via Jmol)
000902471.b3lyp_6-31g(d).inp

000902471.b3lyp_6-31g(d).qchem.inp (generated)

000902471.b3lyp_6-31g(d).gjf (generated)

000902471.b3lyp_6-31g(d).firefly.inp (generated)

000902471.b3lyp_6-31g(d).smash.inp (generated)

000902471.b3lyp_6-31g(d).nwchem.inp (generated) 000902471.b3lyp_6-31g(d).log.xz 000902471.td-b3lyp_6-31g+(d).inp 000902471.td-b3lyp_6-31g+(d).log.xz

000902471.td-b3lyp_6-31+g(d).qchem.inp (generated)

000902471.td-b3lyp_6-31+g(d).gjf (generated)

000902471.td-b3lyp_6-31+g(d).firefly.inp (generated)

000902471.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000902471.mol 000902471.PUBCHEM 000902471.mol (via Jmol)
000902472.b3lyp_6-31g(d).inp

000902472.b3lyp_6-31g(d).qchem.inp (generated)

000902472.b3lyp_6-31g(d).gjf (generated)

000902472.b3lyp_6-31g(d).firefly.inp (generated)

000902472.b3lyp_6-31g(d).smash.inp (generated)

000902472.b3lyp_6-31g(d).nwchem.inp (generated) 000902472.b3lyp_6-31g(d).log.xz 000902472.td-b3lyp_6-31g+(d).inp 000902472.td-b3lyp_6-31g+(d).log.xz

000902472.td-b3lyp_6-31+g(d).qchem.inp (generated)

000902472.td-b3lyp_6-31+g(d).gjf (generated)

000902472.td-b3lyp_6-31+g(d).firefly.inp (generated)

000902472.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000902472.mol 000902472.PUBCHEM 000902472.mol (via Jmol)
000902478.b3lyp_6-31g(d).inp

000902478.b3lyp_6-31g(d).qchem.inp (generated)

000902478.b3lyp_6-31g(d).gjf (generated)

000902478.b3lyp_6-31g(d).firefly.inp (generated)

000902478.b3lyp_6-31g(d).smash.inp (generated)

000902478.b3lyp_6-31g(d).nwchem.inp (generated) 000902478.b3lyp_6-31g(d).log.xz 000902478.td-b3lyp_6-31g+(d).inp 000902478.td-b3lyp_6-31g+(d).log.xz

000902478.td-b3lyp_6-31+g(d).qchem.inp (generated)

000902478.td-b3lyp_6-31+g(d).gjf (generated)

000902478.td-b3lyp_6-31+g(d).firefly.inp (generated)

000902478.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000902478.mol 000902478.PUBCHEM 000902478.mol (via Jmol)
000902479.b3lyp_6-31g(d).inp

000902479.b3lyp_6-31g(d).qchem.inp (generated)

000902479.b3lyp_6-31g(d).gjf (generated)

000902479.b3lyp_6-31g(d).firefly.inp (generated)

000902479.b3lyp_6-31g(d).smash.inp (generated)

000902479.b3lyp_6-31g(d).nwchem.inp (generated) 000902479.b3lyp_6-31g(d).log.xz 000902479.td-b3lyp_6-31g+(d).inp 000902479.td-b3lyp_6-31g+(d).log.xz

000902479.td-b3lyp_6-31+g(d).qchem.inp (generated)

000902479.td-b3lyp_6-31+g(d).gjf (generated)

000902479.td-b3lyp_6-31+g(d).firefly.inp (generated)

000902479.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000902479.mol 000902479.PUBCHEM 000902479.mol (via Jmol)
000902494.b3lyp_6-31g(d).inp

000902494.b3lyp_6-31g(d).qchem.inp (generated)

000902494.b3lyp_6-31g(d).gjf (generated)

000902494.b3lyp_6-31g(d).firefly.inp (generated)

000902494.b3lyp_6-31g(d).smash.inp (generated)

000902494.b3lyp_6-31g(d).nwchem.inp (generated) 000902494.b3lyp_6-31g(d).log.xz 000902494.td-b3lyp_6-31g+(d).inp 000902494.td-b3lyp_6-31g+(d).log.xz

000902494.td-b3lyp_6-31+g(d).qchem.inp (generated)

000902494.td-b3lyp_6-31+g(d).gjf (generated)

000902494.td-b3lyp_6-31+g(d).firefly.inp (generated)

000902494.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000902494.mol 000902494.PUBCHEM 000902494.mol (via Jmol)
000902496.b3lyp_6-31g(d).inp

000902496.b3lyp_6-31g(d).qchem.inp (generated)

000902496.b3lyp_6-31g(d).gjf (generated)

000902496.b3lyp_6-31g(d).firefly.inp (generated)

000902496.b3lyp_6-31g(d).smash.inp (generated)

000902496.b3lyp_6-31g(d).nwchem.inp (generated) 000902496.b3lyp_6-31g(d).log.xz 000902496.mol 000902496.PUBCHEM 000902496.mol (via Jmol)
000902497.b3lyp_6-31g(d).inp

000902497.b3lyp_6-31g(d).qchem.inp (generated)

000902497.b3lyp_6-31g(d).gjf (generated)

000902497.b3lyp_6-31g(d).firefly.inp (generated)

000902497.b3lyp_6-31g(d).smash.inp (generated)

000902497.b3lyp_6-31g(d).nwchem.inp (generated) 000902497.b3lyp_6-31g(d).log.xz 000902497.td-b3lyp_6-31g+(d).inp 000902497.td-b3lyp_6-31g+(d).log.xz

000902497.td-b3lyp_6-31+g(d).qchem.inp (generated)

000902497.td-b3lyp_6-31+g(d).gjf (generated)

000902497.td-b3lyp_6-31+g(d).firefly.inp (generated)

000902497.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000902497.mol 000902497.PUBCHEM 000902497.mol (via Jmol)
000902498.b3lyp_6-31g(d).inp

000902498.b3lyp_6-31g(d).qchem.inp (generated)

000902498.b3lyp_6-31g(d).gjf (generated)

000902498.b3lyp_6-31g(d).firefly.inp (generated)

000902498.b3lyp_6-31g(d).smash.inp (generated)

000902498.b3lyp_6-31g(d).nwchem.inp (generated) 000902498.b3lyp_6-31g(d).log.xz 000902498.td-b3lyp_6-31g+(d).inp 000902498.td-b3lyp_6-31g+(d).log.xz

000902498.td-b3lyp_6-31+g(d).qchem.inp (generated)

000902498.td-b3lyp_6-31+g(d).gjf (generated)

000902498.td-b3lyp_6-31+g(d).firefly.inp (generated)

000902498.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000902498.mol 000902498.PUBCHEM 000902498.mol (via Jmol)
000902499.b3lyp_6-31g(d).inp

000902499.b3lyp_6-31g(d).qchem.inp (generated)

000902499.b3lyp_6-31g(d).gjf (generated)

000902499.b3lyp_6-31g(d).firefly.inp (generated)

000902499.b3lyp_6-31g(d).smash.inp (generated)

000902499.b3lyp_6-31g(d).nwchem.inp (generated) 000902499.b3lyp_6-31g(d).log.xz 000902499.td-b3lyp_6-31g+(d).inp 000902499.td-b3lyp_6-31g+(d).log.xz

000902499.td-b3lyp_6-31+g(d).qchem.inp (generated)

000902499.td-b3lyp_6-31+g(d).gjf (generated)

000902499.td-b3lyp_6-31+g(d).firefly.inp (generated)

000902499.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000902499.mol 000902499.PUBCHEM 000902499.mol (via Jmol)
000902501.b3lyp_6-31g(d).inp

000902501.b3lyp_6-31g(d).qchem.inp (generated)

000902501.b3lyp_6-31g(d).gjf (generated)

000902501.b3lyp_6-31g(d).firefly.inp (generated)

000902501.b3lyp_6-31g(d).smash.inp (generated)

000902501.b3lyp_6-31g(d).nwchem.inp (generated) 000902501.b3lyp_6-31g(d).log.xz 000902501.td-b3lyp_6-31g+(d).inp 000902501.td-b3lyp_6-31g+(d).log.xz

000902501.td-b3lyp_6-31+g(d).qchem.inp (generated)

000902501.td-b3lyp_6-31+g(d).gjf (generated)

000902501.td-b3lyp_6-31+g(d).firefly.inp (generated)

000902501.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000902501.mol 000902501.PUBCHEM 000902501.mol (via Jmol)
000902502.b3lyp_6-31g(d).inp

000902502.b3lyp_6-31g(d).qchem.inp (generated)

000902502.b3lyp_6-31g(d).gjf (generated)

000902502.b3lyp_6-31g(d).firefly.inp (generated)

000902502.b3lyp_6-31g(d).smash.inp (generated)

000902502.b3lyp_6-31g(d).nwchem.inp (generated) 000902502.b3lyp_6-31g(d).log.xz 000902502.td-b3lyp_6-31g+(d).inp 000902502.td-b3lyp_6-31g+(d).log.xz

000902502.td-b3lyp_6-31+g(d).qchem.inp (generated)

000902502.td-b3lyp_6-31+g(d).gjf (generated)

000902502.td-b3lyp_6-31+g(d).firefly.inp (generated)

000902502.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000902502.mol 000902502.PUBCHEM 000902502.mol (via Jmol)
000902503.b3lyp_6-31g(d).inp

000902503.b3lyp_6-31g(d).qchem.inp (generated)

000902503.b3lyp_6-31g(d).gjf (generated)

000902503.b3lyp_6-31g(d).firefly.inp (generated)

000902503.b3lyp_6-31g(d).smash.inp (generated)

000902503.b3lyp_6-31g(d).nwchem.inp (generated) 000902503.b3lyp_6-31g(d).log.xz 000902503.td-b3lyp_6-31g+(d).inp 000902503.td-b3lyp_6-31g+(d).log.xz

000902503.td-b3lyp_6-31+g(d).qchem.inp (generated)

000902503.td-b3lyp_6-31+g(d).gjf (generated)

000902503.td-b3lyp_6-31+g(d).firefly.inp (generated)

000902503.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000902503.mol 000902503.PUBCHEM 000902503.mol (via Jmol)
000902529.b3lyp_6-31g(d).inp

000902529.b3lyp_6-31g(d).qchem.inp (generated)

000902529.b3lyp_6-31g(d).gjf (generated)

000902529.b3lyp_6-31g(d).firefly.inp (generated)

000902529.b3lyp_6-31g(d).smash.inp (generated)

000902529.b3lyp_6-31g(d).nwchem.inp (generated) 000902529.b3lyp_6-31g(d).log.xz 000902529.td-b3lyp_6-31g+(d).inp 000902529.td-b3lyp_6-31g+(d).log.xz

000902529.td-b3lyp_6-31+g(d).qchem.inp (generated)

000902529.td-b3lyp_6-31+g(d).gjf (generated)

000902529.td-b3lyp_6-31+g(d).firefly.inp (generated)

000902529.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000902529.mol 000902529.PUBCHEM 000902529.mol (via Jmol)
000902530.b3lyp_6-31g(d).inp

000902530.b3lyp_6-31g(d).qchem.inp (generated)

000902530.b3lyp_6-31g(d).gjf (generated)

000902530.b3lyp_6-31g(d).firefly.inp (generated)

000902530.b3lyp_6-31g(d).smash.inp (generated)

000902530.b3lyp_6-31g(d).nwchem.inp (generated) 000902530.b3lyp_6-31g(d).log.xz 000902530.td-b3lyp_6-31g+(d).inp 000902530.td-b3lyp_6-31g+(d).log.xz

000902530.td-b3lyp_6-31+g(d).qchem.inp (generated)

000902530.td-b3lyp_6-31+g(d).gjf (generated)

000902530.td-b3lyp_6-31+g(d).firefly.inp (generated)

000902530.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000902530.mol 000902530.PUBCHEM 000902530.mol (via Jmol)
000902534.b3lyp_6-31g(d).inp

000902534.b3lyp_6-31g(d).qchem.inp (generated)

000902534.b3lyp_6-31g(d).gjf (generated)

000902534.b3lyp_6-31g(d).firefly.inp (generated)

000902534.b3lyp_6-31g(d).smash.inp (generated)

000902534.b3lyp_6-31g(d).nwchem.inp (generated) 000902534.b3lyp_6-31g(d).log.xz 000902534.td-b3lyp_6-31g+(d).inp 000902534.td-b3lyp_6-31g+(d).log.xz

000902534.td-b3lyp_6-31+g(d).qchem.inp (generated)

000902534.td-b3lyp_6-31+g(d).gjf (generated)

000902534.td-b3lyp_6-31+g(d).firefly.inp (generated)

000902534.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000902534.mol 000902534.PUBCHEM 000902534.mol (via Jmol)
000902634.b3lyp_6-31g(d).inp

000902634.b3lyp_6-31g(d).qchem.inp (generated)

000902634.b3lyp_6-31g(d).gjf (generated)

000902634.b3lyp_6-31g(d).firefly.inp (generated)

000902634.b3lyp_6-31g(d).smash.inp (generated)

000902634.b3lyp_6-31g(d).nwchem.inp (generated) 000902634.b3lyp_6-31g(d).log.xz 000902634.td-b3lyp_6-31g+(d).inp 000902634.td-b3lyp_6-31g+(d).log.xz

000902634.td-b3lyp_6-31+g(d).qchem.inp (generated)

000902634.td-b3lyp_6-31+g(d).gjf (generated)

000902634.td-b3lyp_6-31+g(d).firefly.inp (generated)

000902634.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000902634.mol 000902634.PUBCHEM 000902634.mol (via Jmol)
000902641.b3lyp_6-31g(d).inp

000902641.b3lyp_6-31g(d).qchem.inp (generated)

000902641.b3lyp_6-31g(d).gjf (generated)

000902641.b3lyp_6-31g(d).firefly.inp (generated)

000902641.b3lyp_6-31g(d).smash.inp (generated)

000902641.b3lyp_6-31g(d).nwchem.inp (generated) 000902641.b3lyp_6-31g(d).log.xz 000902641.td-b3lyp_6-31g+(d).inp 000902641.td-b3lyp_6-31g+(d).log.xz

000902641.td-b3lyp_6-31+g(d).qchem.inp (generated)

000902641.td-b3lyp_6-31+g(d).gjf (generated)

000902641.td-b3lyp_6-31+g(d).firefly.inp (generated)

000902641.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000902641.mol 000902641.PUBCHEM 000902641.mol (via Jmol)
000902692.b3lyp_6-31g(d).inp

000902692.b3lyp_6-31g(d).qchem.inp (generated)

000902692.b3lyp_6-31g(d).gjf (generated)

000902692.b3lyp_6-31g(d).firefly.inp (generated)

000902692.b3lyp_6-31g(d).smash.inp (generated)

000902692.b3lyp_6-31g(d).nwchem.inp (generated) 000902692.b3lyp_6-31g(d).log.xz 000902692.td-b3lyp_6-31g+(d).inp 000902692.td-b3lyp_6-31g+(d).log.xz

000902692.td-b3lyp_6-31+g(d).qchem.inp (generated)

000902692.td-b3lyp_6-31+g(d).gjf (generated)

000902692.td-b3lyp_6-31+g(d).firefly.inp (generated)

000902692.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000902692.mol 000902692.PUBCHEM 000902692.mol (via Jmol)
000902824.b3lyp_6-31g(d).inp

000902824.b3lyp_6-31g(d).qchem.inp (generated)

000902824.b3lyp_6-31g(d).gjf (generated)

000902824.b3lyp_6-31g(d).firefly.inp (generated)

000902824.b3lyp_6-31g(d).smash.inp (generated)

000902824.b3lyp_6-31g(d).nwchem.inp (generated) 000902824.b3lyp_6-31g(d).log.xz 000902824.td-b3lyp_6-31g+(d).inp 000902824.td-b3lyp_6-31g+(d).log.xz

000902824.td-b3lyp_6-31+g(d).qchem.inp (generated)

000902824.td-b3lyp_6-31+g(d).gjf (generated)

000902824.td-b3lyp_6-31+g(d).firefly.inp (generated)

000902824.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000902824.mol 000902824.PUBCHEM 000902824.mol (via Jmol)
000902825.b3lyp_6-31g(d).inp

000902825.b3lyp_6-31g(d).qchem.inp (generated)

000902825.b3lyp_6-31g(d).gjf (generated)

000902825.b3lyp_6-31g(d).firefly.inp (generated)

000902825.b3lyp_6-31g(d).smash.inp (generated)

000902825.b3lyp_6-31g(d).nwchem.inp (generated) 000902825.b3lyp_6-31g(d).log.xz 000902825.td-b3lyp_6-31g+(d).inp 000902825.td-b3lyp_6-31g+(d).log.xz

000902825.td-b3lyp_6-31+g(d).qchem.inp (generated)

000902825.td-b3lyp_6-31+g(d).gjf (generated)

000902825.td-b3lyp_6-31+g(d).firefly.inp (generated)

000902825.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000902825.mol 000902825.PUBCHEM 000902825.mol (via Jmol)
000902830.b3lyp_6-31g(d).inp

000902830.b3lyp_6-31g(d).qchem.inp (generated)

000902830.b3lyp_6-31g(d).gjf (generated)

000902830.b3lyp_6-31g(d).firefly.inp (generated)

000902830.b3lyp_6-31g(d).smash.inp (generated)

000902830.b3lyp_6-31g(d).nwchem.inp (generated) 000902830.b3lyp_6-31g(d).log.xz 000902830.td-b3lyp_6-31g+(d).inp 000902830.td-b3lyp_6-31g+(d).log.xz

000902830.td-b3lyp_6-31+g(d).qchem.inp (generated)

000902830.td-b3lyp_6-31+g(d).gjf (generated)

000902830.td-b3lyp_6-31+g(d).firefly.inp (generated)

000902830.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000902830.mol 000902830.PUBCHEM 000902830.mol (via Jmol)
000902831.b3lyp_6-31g(d).inp

000902831.b3lyp_6-31g(d).qchem.inp (generated)

000902831.b3lyp_6-31g(d).gjf (generated)

000902831.b3lyp_6-31g(d).firefly.inp (generated)

000902831.b3lyp_6-31g(d).smash.inp (generated)

000902831.b3lyp_6-31g(d).nwchem.inp (generated) 000902831.b3lyp_6-31g(d).log.xz 000902831.td-b3lyp_6-31g+(d).inp 000902831.td-b3lyp_6-31g+(d).log.xz

000902831.td-b3lyp_6-31+g(d).qchem.inp (generated)

000902831.td-b3lyp_6-31+g(d).gjf (generated)

000902831.td-b3lyp_6-31+g(d).firefly.inp (generated)

000902831.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000902831.mol 000902831.PUBCHEM 000902831.mol (via Jmol)
000902838.b3lyp_6-31g(d).inp

000902838.b3lyp_6-31g(d).qchem.inp (generated)

000902838.b3lyp_6-31g(d).gjf (generated)

000902838.b3lyp_6-31g(d).firefly.inp (generated)

000902838.b3lyp_6-31g(d).smash.inp (generated)

000902838.b3lyp_6-31g(d).nwchem.inp (generated) 000902838.b3lyp_6-31g(d).log.xz 000902838.mol 000902838.PUBCHEM 000902838.mol (via Jmol)
000902840.b3lyp_6-31g(d).inp

000902840.b3lyp_6-31g(d).qchem.inp (generated)

000902840.b3lyp_6-31g(d).gjf (generated)

000902840.b3lyp_6-31g(d).firefly.inp (generated)

000902840.b3lyp_6-31g(d).smash.inp (generated)

000902840.b3lyp_6-31g(d).nwchem.inp (generated) 000902840.b3lyp_6-31g(d).log.xz 000902840.mol 000902840.PUBCHEM 000902840.mol (via Jmol)
000902841.b3lyp_6-31g(d).inp

000902841.b3lyp_6-31g(d).qchem.inp (generated)

000902841.b3lyp_6-31g(d).gjf (generated)

000902841.b3lyp_6-31g(d).firefly.inp (generated)

000902841.b3lyp_6-31g(d).smash.inp (generated)

000902841.b3lyp_6-31g(d).nwchem.inp (generated) 000902841.b3lyp_6-31g(d).log.xz 000902841.td-b3lyp_6-31g+(d).inp 000902841.td-b3lyp_6-31g+(d).log.xz

000902841.td-b3lyp_6-31+g(d).qchem.inp (generated)

000902841.td-b3lyp_6-31+g(d).gjf (generated)

000902841.td-b3lyp_6-31+g(d).firefly.inp (generated)

000902841.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000902841.mol 000902841.PUBCHEM 000902841.mol (via Jmol)
000902842.b3lyp_6-31g(d).inp

000902842.b3lyp_6-31g(d).qchem.inp (generated)

000902842.b3lyp_6-31g(d).gjf (generated)

000902842.b3lyp_6-31g(d).firefly.inp (generated)

000902842.b3lyp_6-31g(d).smash.inp (generated)

000902842.b3lyp_6-31g(d).nwchem.inp (generated) 000902842.b3lyp_6-31g(d).log.xz 000902842.td-b3lyp_6-31g+(d).inp 000902842.td-b3lyp_6-31g+(d).log.xz

000902842.td-b3lyp_6-31+g(d).qchem.inp (generated)

000902842.td-b3lyp_6-31+g(d).gjf (generated)

000902842.td-b3lyp_6-31+g(d).firefly.inp (generated)

000902842.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000902842.mol 000902842.PUBCHEM 000902842.mol (via Jmol)
000902843.b3lyp_6-31g(d).inp

000902843.b3lyp_6-31g(d).qchem.inp (generated)

000902843.b3lyp_6-31g(d).gjf (generated)

000902843.b3lyp_6-31g(d).firefly.inp (generated)

000902843.b3lyp_6-31g(d).smash.inp (generated)

000902843.b3lyp_6-31g(d).nwchem.inp (generated) 000902843.b3lyp_6-31g(d).log.xz 000902843.td-b3lyp_6-31g+(d).inp 000902843.td-b3lyp_6-31g+(d).log.xz

000902843.td-b3lyp_6-31+g(d).qchem.inp (generated)

000902843.td-b3lyp_6-31+g(d).gjf (generated)

000902843.td-b3lyp_6-31+g(d).firefly.inp (generated)

000902843.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000902843.mol 000902843.PUBCHEM 000902843.mol (via Jmol)
000902844.b3lyp_6-31g(d).inp

000902844.b3lyp_6-31g(d).qchem.inp (generated)

000902844.b3lyp_6-31g(d).gjf (generated)

000902844.b3lyp_6-31g(d).firefly.inp (generated)

000902844.b3lyp_6-31g(d).smash.inp (generated)

000902844.b3lyp_6-31g(d).nwchem.inp (generated) 000902844.b3lyp_6-31g(d).log.xz 000902844.td-b3lyp_6-31g+(d).inp 000902844.td-b3lyp_6-31g+(d).log.xz

000902844.td-b3lyp_6-31+g(d).qchem.inp (generated)

000902844.td-b3lyp_6-31+g(d).gjf (generated)

000902844.td-b3lyp_6-31+g(d).firefly.inp (generated)

000902844.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000902844.mol 000902844.PUBCHEM 000902844.mol (via Jmol)
000902851.b3lyp_6-31g(d).inp

000902851.b3lyp_6-31g(d).qchem.inp (generated)

000902851.b3lyp_6-31g(d).gjf (generated)

000902851.b3lyp_6-31g(d).firefly.inp (generated)

000902851.b3lyp_6-31g(d).smash.inp (generated)

000902851.b3lyp_6-31g(d).nwchem.inp (generated) 000902851.b3lyp_6-31g(d).log.xz 000902851.td-b3lyp_6-31g+(d).inp 000902851.td-b3lyp_6-31g+(d).log.xz

000902851.td-b3lyp_6-31+g(d).qchem.inp (generated)

000902851.td-b3lyp_6-31+g(d).gjf (generated)

000902851.td-b3lyp_6-31+g(d).firefly.inp (generated)

000902851.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000902851.mol 000902851.PUBCHEM 000902851.mol (via Jmol)
000902852.b3lyp_6-31g(d).inp

000902852.b3lyp_6-31g(d).qchem.inp (generated)

000902852.b3lyp_6-31g(d).gjf (generated)

000902852.b3lyp_6-31g(d).firefly.inp (generated)

000902852.b3lyp_6-31g(d).smash.inp (generated)

000902852.b3lyp_6-31g(d).nwchem.inp (generated) 000902852.b3lyp_6-31g(d).log.xz 000902852.td-b3lyp_6-31g+(d).inp 000902852.td-b3lyp_6-31g+(d).log.xz

000902852.td-b3lyp_6-31+g(d).qchem.inp (generated)

000902852.td-b3lyp_6-31+g(d).gjf (generated)

000902852.td-b3lyp_6-31+g(d).firefly.inp (generated)

000902852.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000902852.mol 000902852.PUBCHEM 000902852.mol (via Jmol)
000902854.b3lyp_6-31g(d).inp

000902854.b3lyp_6-31g(d).qchem.inp (generated)

000902854.b3lyp_6-31g(d).gjf (generated)

000902854.b3lyp_6-31g(d).firefly.inp (generated)

000902854.b3lyp_6-31g(d).smash.inp (generated)

000902854.b3lyp_6-31g(d).nwchem.inp (generated) 000902854.b3lyp_6-31g(d).log.xz 000902854.td-b3lyp_6-31g+(d).inp 000902854.td-b3lyp_6-31g+(d).log.xz

000902854.td-b3lyp_6-31+g(d).qchem.inp (generated)

000902854.td-b3lyp_6-31+g(d).gjf (generated)

000902854.td-b3lyp_6-31+g(d).firefly.inp (generated)

000902854.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000902854.mol 000902854.PUBCHEM 000902854.mol (via Jmol)
000902857.b3lyp_6-31g(d).inp

000902857.b3lyp_6-31g(d).qchem.inp (generated)

000902857.b3lyp_6-31g(d).gjf (generated)

000902857.b3lyp_6-31g(d).firefly.inp (generated)

000902857.b3lyp_6-31g(d).smash.inp (generated)

000902857.b3lyp_6-31g(d).nwchem.inp (generated) 000902857.b3lyp_6-31g(d).log.xz 000902857.mol 000902857.PUBCHEM 000902857.mol (via Jmol)
000902881.b3lyp_6-31g(d).inp

000902881.b3lyp_6-31g(d).qchem.inp (generated)

000902881.b3lyp_6-31g(d).gjf (generated)

000902881.b3lyp_6-31g(d).firefly.inp (generated)

000902881.b3lyp_6-31g(d).smash.inp (generated)

000902881.b3lyp_6-31g(d).nwchem.inp (generated) 000902881.b3lyp_6-31g(d).log.xz 000902881.td-b3lyp_6-31g+(d).inp 000902881.td-b3lyp_6-31g+(d).log.xz

000902881.td-b3lyp_6-31+g(d).qchem.inp (generated)

000902881.td-b3lyp_6-31+g(d).gjf (generated)

000902881.td-b3lyp_6-31+g(d).firefly.inp (generated)

000902881.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000902881.mol 000902881.PUBCHEM 000902881.mol (via Jmol)
000902902.b3lyp_6-31g(d).inp

000902902.b3lyp_6-31g(d).qchem.inp (generated)

000902902.b3lyp_6-31g(d).gjf (generated)

000902902.b3lyp_6-31g(d).firefly.inp (generated)

000902902.b3lyp_6-31g(d).smash.inp (generated)

000902902.b3lyp_6-31g(d).nwchem.inp (generated) 000902902.b3lyp_6-31g(d).log.xz 000902902.td-b3lyp_6-31g+(d).inp 000902902.td-b3lyp_6-31g+(d).log.xz

000902902.td-b3lyp_6-31+g(d).qchem.inp (generated)

000902902.td-b3lyp_6-31+g(d).gjf (generated)

000902902.td-b3lyp_6-31+g(d).firefly.inp (generated)

000902902.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000902902.mol 000902902.PUBCHEM 000902902.mol (via Jmol)
000902914.b3lyp_6-31g(d).inp

000902914.b3lyp_6-31g(d).qchem.inp (generated)

000902914.b3lyp_6-31g(d).gjf (generated)

000902914.b3lyp_6-31g(d).firefly.inp (generated)

000902914.b3lyp_6-31g(d).smash.inp (generated)

000902914.b3lyp_6-31g(d).nwchem.inp (generated) 000902914.b3lyp_6-31g(d).log.xz 000902914.td-b3lyp_6-31g+(d).inp 000902914.td-b3lyp_6-31g+(d).log.xz

000902914.td-b3lyp_6-31+g(d).qchem.inp (generated)

000902914.td-b3lyp_6-31+g(d).gjf (generated)

000902914.td-b3lyp_6-31+g(d).firefly.inp (generated)

000902914.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000902914.mol 000902914.PUBCHEM 000902914.mol (via Jmol)
000902922.b3lyp_6-31g(d).inp

000902922.b3lyp_6-31g(d).qchem.inp (generated)

000902922.b3lyp_6-31g(d).gjf (generated)

000902922.b3lyp_6-31g(d).firefly.inp (generated)

000902922.b3lyp_6-31g(d).smash.inp (generated)

000902922.b3lyp_6-31g(d).nwchem.inp (generated) 000902922.b3lyp_6-31g(d).log.xz 000902922.td-b3lyp_6-31g+(d).inp 000902922.td-b3lyp_6-31g+(d).log.xz

000902922.td-b3lyp_6-31+g(d).qchem.inp (generated)

000902922.td-b3lyp_6-31+g(d).gjf (generated)

000902922.td-b3lyp_6-31+g(d).firefly.inp (generated)

000902922.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000902922.mol 000902922.PUBCHEM 000902922.mol (via Jmol)
000902933.b3lyp_6-31g(d).inp

000902933.b3lyp_6-31g(d).qchem.inp (generated)

000902933.b3lyp_6-31g(d).gjf (generated)

000902933.b3lyp_6-31g(d).firefly.inp (generated)

000902933.b3lyp_6-31g(d).smash.inp (generated)

000902933.b3lyp_6-31g(d).nwchem.inp (generated) 000902933.b3lyp_6-31g(d).log.xz 000902933.td-b3lyp_6-31g+(d).inp 000902933.td-b3lyp_6-31g+(d).log.xz

000902933.td-b3lyp_6-31+g(d).qchem.inp (generated)

000902933.td-b3lyp_6-31+g(d).gjf (generated)

000902933.td-b3lyp_6-31+g(d).firefly.inp (generated)

000902933.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000902933.mol 000902933.PUBCHEM 000902933.mol (via Jmol)
000902955.b3lyp_6-31g(d).inp

000902955.b3lyp_6-31g(d).qchem.inp (generated)

000902955.b3lyp_6-31g(d).gjf (generated)

000902955.b3lyp_6-31g(d).firefly.inp (generated)

000902955.b3lyp_6-31g(d).smash.inp (generated)

000902955.b3lyp_6-31g(d).nwchem.inp (generated) 000902955.b3lyp_6-31g(d).log.xz 000902955.mol 000902955.PUBCHEM 000902955.mol (via Jmol)
000902959.b3lyp_6-31g(d).inp

000902959.b3lyp_6-31g(d).qchem.inp (generated)

000902959.b3lyp_6-31g(d).gjf (generated)

000902959.b3lyp_6-31g(d).firefly.inp (generated)

000902959.b3lyp_6-31g(d).smash.inp (generated)

000902959.b3lyp_6-31g(d).nwchem.inp (generated) 000902959.b3lyp_6-31g(d).log.xz 000902959.td-b3lyp_6-31g+(d).inp 000902959.td-b3lyp_6-31g+(d).log.xz

000902959.td-b3lyp_6-31+g(d).qchem.inp (generated)

000902959.td-b3lyp_6-31+g(d).gjf (generated)

000902959.td-b3lyp_6-31+g(d).firefly.inp (generated)

000902959.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000902959.mol 000902959.PUBCHEM 000902959.mol (via Jmol)
000902964.b3lyp_6-31g(d).inp

000902964.b3lyp_6-31g(d).qchem.inp (generated)

000902964.b3lyp_6-31g(d).gjf (generated)

000902964.b3lyp_6-31g(d).firefly.inp (generated)

000902964.b3lyp_6-31g(d).smash.inp (generated)

000902964.b3lyp_6-31g(d).nwchem.inp (generated) 000902964.b3lyp_6-31g(d).log.xz 000902964.mol 000902964.PUBCHEM 000902964.mol (via Jmol)
000902988.b3lyp_6-31g(d).inp

000902988.b3lyp_6-31g(d).qchem.inp (generated)

000902988.b3lyp_6-31g(d).gjf (generated)

000902988.b3lyp_6-31g(d).firefly.inp (generated)

000902988.b3lyp_6-31g(d).smash.inp (generated)

000902988.b3lyp_6-31g(d).nwchem.inp (generated) 000902988.b3lyp_6-31g(d).log.xz 000902988.td-b3lyp_6-31g+(d).inp 000902988.td-b3lyp_6-31g+(d).log.xz

000902988.td-b3lyp_6-31+g(d).qchem.inp (generated)

000902988.td-b3lyp_6-31+g(d).gjf (generated)

000902988.td-b3lyp_6-31+g(d).firefly.inp (generated)

000902988.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000902988.mol 000902988.PUBCHEM 000902988.mol (via Jmol)
000902992.b3lyp_6-31g(d).inp

000902992.b3lyp_6-31g(d).qchem.inp (generated)

000902992.b3lyp_6-31g(d).gjf (generated)

000902992.b3lyp_6-31g(d).firefly.inp (generated)

000902992.b3lyp_6-31g(d).smash.inp (generated)

000902992.b3lyp_6-31g(d).nwchem.inp (generated) 000902992.b3lyp_6-31g(d).log.xz 000902992.td-b3lyp_6-31g+(d).inp 000902992.td-b3lyp_6-31g+(d).log.xz

000902992.td-b3lyp_6-31+g(d).qchem.inp (generated)

000902992.td-b3lyp_6-31+g(d).gjf (generated)

000902992.td-b3lyp_6-31+g(d).firefly.inp (generated)

000902992.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000902992.mol 000902992.PUBCHEM 000902992.mol (via Jmol)
000903062.b3lyp_6-31g(d).inp

000903062.b3lyp_6-31g(d).qchem.inp (generated)

000903062.b3lyp_6-31g(d).gjf (generated)

000903062.b3lyp_6-31g(d).firefly.inp (generated)

000903062.b3lyp_6-31g(d).smash.inp (generated)

000903062.b3lyp_6-31g(d).nwchem.inp (generated) 000903062.b3lyp_6-31g(d).log.xz 000903062.td-b3lyp_6-31g+(d).inp 000903062.td-b3lyp_6-31g+(d).log.xz

000903062.td-b3lyp_6-31+g(d).qchem.inp (generated)

000903062.td-b3lyp_6-31+g(d).gjf (generated)

000903062.td-b3lyp_6-31+g(d).firefly.inp (generated)

000903062.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000903062.mol 000903062.PUBCHEM 000903062.mol (via Jmol)
000903063.b3lyp_6-31g(d).inp

000903063.b3lyp_6-31g(d).qchem.inp (generated)

000903063.b3lyp_6-31g(d).gjf (generated)

000903063.b3lyp_6-31g(d).firefly.inp (generated)

000903063.b3lyp_6-31g(d).smash.inp (generated)

000903063.b3lyp_6-31g(d).nwchem.inp (generated) 000903063.b3lyp_6-31g(d).log.xz 000903063.td-b3lyp_6-31g+(d).inp 000903063.td-b3lyp_6-31g+(d).log.xz

000903063.td-b3lyp_6-31+g(d).qchem.inp (generated)

000903063.td-b3lyp_6-31+g(d).gjf (generated)

000903063.td-b3lyp_6-31+g(d).firefly.inp (generated)

000903063.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000903063.mol 000903063.PUBCHEM 000903063.mol (via Jmol)
000903087.b3lyp_6-31g(d).inp

000903087.b3lyp_6-31g(d).qchem.inp (generated)

000903087.b3lyp_6-31g(d).gjf (generated)

000903087.b3lyp_6-31g(d).firefly.inp (generated)

000903087.b3lyp_6-31g(d).smash.inp (generated)

000903087.b3lyp_6-31g(d).nwchem.inp (generated) 000903087.b3lyp_6-31g(d).log.xz 000903087.td-b3lyp_6-31g+(d).inp 000903087.td-b3lyp_6-31g+(d).log.xz

000903087.td-b3lyp_6-31+g(d).qchem.inp (generated)

000903087.td-b3lyp_6-31+g(d).gjf (generated)

000903087.td-b3lyp_6-31+g(d).firefly.inp (generated)

000903087.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000903087.mol 000903087.PUBCHEM 000903087.mol (via Jmol)
000903088.b3lyp_6-31g(d).inp

000903088.b3lyp_6-31g(d).qchem.inp (generated)

000903088.b3lyp_6-31g(d).gjf (generated)

000903088.b3lyp_6-31g(d).firefly.inp (generated)

000903088.b3lyp_6-31g(d).smash.inp (generated)

000903088.b3lyp_6-31g(d).nwchem.inp (generated) 000903088.b3lyp_6-31g(d).log.xz 000903088.mol 000903088.PUBCHEM 000903088.mol (via Jmol)
000903091.b3lyp_6-31g(d).inp

000903091.b3lyp_6-31g(d).qchem.inp (generated)

000903091.b3lyp_6-31g(d).gjf (generated)

000903091.b3lyp_6-31g(d).firefly.inp (generated)

000903091.b3lyp_6-31g(d).smash.inp (generated)

000903091.b3lyp_6-31g(d).nwchem.inp (generated) 000903091.b3lyp_6-31g(d).log.xz 000903091.td-b3lyp_6-31g+(d).inp 000903091.td-b3lyp_6-31g+(d).log.xz

000903091.td-b3lyp_6-31+g(d).qchem.inp (generated)

000903091.td-b3lyp_6-31+g(d).gjf (generated)

000903091.td-b3lyp_6-31+g(d).firefly.inp (generated)

000903091.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000903091.mol 000903091.PUBCHEM 000903091.mol (via Jmol)
000903101.b3lyp_6-31g(d).inp

000903101.b3lyp_6-31g(d).qchem.inp (generated)

000903101.b3lyp_6-31g(d).gjf (generated)

000903101.b3lyp_6-31g(d).firefly.inp (generated)

000903101.b3lyp_6-31g(d).smash.inp (generated)

000903101.b3lyp_6-31g(d).nwchem.inp (generated) 000903101.b3lyp_6-31g(d).log.xz 000903101.td-b3lyp_6-31g+(d).inp 000903101.td-b3lyp_6-31g+(d).log.xz

000903101.td-b3lyp_6-31+g(d).qchem.inp (generated)

000903101.td-b3lyp_6-31+g(d).gjf (generated)

000903101.td-b3lyp_6-31+g(d).firefly.inp (generated)

000903101.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000903101.mol 000903101.PUBCHEM 000903101.mol (via Jmol)
000903102.b3lyp_6-31g(d).inp

000903102.b3lyp_6-31g(d).qchem.inp (generated)

000903102.b3lyp_6-31g(d).gjf (generated)

000903102.b3lyp_6-31g(d).firefly.inp (generated)

000903102.b3lyp_6-31g(d).smash.inp (generated)

000903102.b3lyp_6-31g(d).nwchem.inp (generated) 000903102.b3lyp_6-31g(d).log.xz 000903102.td-b3lyp_6-31g+(d).inp 000903102.td-b3lyp_6-31g+(d).log.xz

000903102.td-b3lyp_6-31+g(d).qchem.inp (generated)

000903102.td-b3lyp_6-31+g(d).gjf (generated)

000903102.td-b3lyp_6-31+g(d).firefly.inp (generated)

000903102.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000903102.mol 000903102.PUBCHEM 000903102.mol (via Jmol)
000903103.b3lyp_6-31g(d).inp

000903103.b3lyp_6-31g(d).qchem.inp (generated)

000903103.b3lyp_6-31g(d).gjf (generated)

000903103.b3lyp_6-31g(d).firefly.inp (generated)

000903103.b3lyp_6-31g(d).smash.inp (generated)

000903103.b3lyp_6-31g(d).nwchem.inp (generated) 000903103.b3lyp_6-31g(d).log.xz 000903103.td-b3lyp_6-31g+(d).inp 000903103.td-b3lyp_6-31g+(d).log.xz

000903103.td-b3lyp_6-31+g(d).qchem.inp (generated)

000903103.td-b3lyp_6-31+g(d).gjf (generated)

000903103.td-b3lyp_6-31+g(d).firefly.inp (generated)

000903103.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000903103.mol 000903103.PUBCHEM 000903103.mol (via Jmol)
000903118.b3lyp_6-31g(d).inp

000903118.b3lyp_6-31g(d).qchem.inp (generated)

000903118.b3lyp_6-31g(d).gjf (generated)

000903118.b3lyp_6-31g(d).firefly.inp (generated)

000903118.b3lyp_6-31g(d).smash.inp (generated)

000903118.b3lyp_6-31g(d).nwchem.inp (generated) 000903118.b3lyp_6-31g(d).log.xz 000903118.mol 000903118.PUBCHEM 000903118.mol (via Jmol)
000903129.b3lyp_6-31g(d).inp

000903129.b3lyp_6-31g(d).qchem.inp (generated)

000903129.b3lyp_6-31g(d).gjf (generated)

000903129.b3lyp_6-31g(d).firefly.inp (generated)

000903129.b3lyp_6-31g(d).smash.inp (generated)

000903129.b3lyp_6-31g(d).nwchem.inp (generated) 000903129.b3lyp_6-31g(d).log.xz 000903129.td-b3lyp_6-31g+(d).inp 000903129.td-b3lyp_6-31g+(d).log.xz

000903129.td-b3lyp_6-31+g(d).qchem.inp (generated)

000903129.td-b3lyp_6-31+g(d).gjf (generated)

000903129.td-b3lyp_6-31+g(d).firefly.inp (generated)

000903129.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000903129.mol 000903129.PUBCHEM 000903129.mol (via Jmol)
000903194.b3lyp_6-31g(d).inp

000903194.b3lyp_6-31g(d).qchem.inp (generated)

000903194.b3lyp_6-31g(d).gjf (generated)

000903194.b3lyp_6-31g(d).firefly.inp (generated)

000903194.b3lyp_6-31g(d).smash.inp (generated)

000903194.b3lyp_6-31g(d).nwchem.inp (generated) 000903194.b3lyp_6-31g(d).log.xz 000903194.td-b3lyp_6-31g+(d).inp 000903194.td-b3lyp_6-31g+(d).log.xz

000903194.td-b3lyp_6-31+g(d).qchem.inp (generated)

000903194.td-b3lyp_6-31+g(d).gjf (generated)

000903194.td-b3lyp_6-31+g(d).firefly.inp (generated)

000903194.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000903194.mol 000903194.PUBCHEM 000903194.mol (via Jmol)
000903201.b3lyp_6-31g(d).inp

000903201.b3lyp_6-31g(d).qchem.inp (generated)

000903201.b3lyp_6-31g(d).gjf (generated)

000903201.b3lyp_6-31g(d).firefly.inp (generated)

000903201.b3lyp_6-31g(d).smash.inp (generated)

000903201.b3lyp_6-31g(d).nwchem.inp (generated) 000903201.b3lyp_6-31g(d).log.xz 000903201.td-b3lyp_6-31g+(d).inp 000903201.td-b3lyp_6-31g+(d).log.xz

000903201.td-b3lyp_6-31+g(d).qchem.inp (generated)

000903201.td-b3lyp_6-31+g(d).gjf (generated)

000903201.td-b3lyp_6-31+g(d).firefly.inp (generated)

000903201.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000903201.mol 000903201.PUBCHEM 000903201.mol (via Jmol)
000903202.b3lyp_6-31g(d).inp

000903202.b3lyp_6-31g(d).qchem.inp (generated)

000903202.b3lyp_6-31g(d).gjf (generated)

000903202.b3lyp_6-31g(d).firefly.inp (generated)

000903202.b3lyp_6-31g(d).smash.inp (generated)

000903202.b3lyp_6-31g(d).nwchem.inp (generated) 000903202.b3lyp_6-31g(d).log.xz 000903202.td-b3lyp_6-31g+(d).inp 000903202.td-b3lyp_6-31g+(d).log.xz

000903202.td-b3lyp_6-31+g(d).qchem.inp (generated)

000903202.td-b3lyp_6-31+g(d).gjf (generated)

000903202.td-b3lyp_6-31+g(d).firefly.inp (generated)

000903202.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000903202.mol 000903202.PUBCHEM 000903202.mol (via Jmol)
000903212.b3lyp_6-31g(d).inp

000903212.b3lyp_6-31g(d).qchem.inp (generated)

000903212.b3lyp_6-31g(d).gjf (generated)

000903212.b3lyp_6-31g(d).firefly.inp (generated)

000903212.b3lyp_6-31g(d).smash.inp (generated)

000903212.b3lyp_6-31g(d).nwchem.inp (generated) 000903212.b3lyp_6-31g(d).log.xz 000903212.td-b3lyp_6-31g+(d).inp 000903212.td-b3lyp_6-31g+(d).log.xz

000903212.td-b3lyp_6-31+g(d).qchem.inp (generated)

000903212.td-b3lyp_6-31+g(d).gjf (generated)

000903212.td-b3lyp_6-31+g(d).firefly.inp (generated)

000903212.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000903212.mol 000903212.PUBCHEM 000903212.mol (via Jmol)
000903221.b3lyp_6-31g(d).inp

000903221.b3lyp_6-31g(d).qchem.inp (generated)

000903221.b3lyp_6-31g(d).gjf (generated)

000903221.b3lyp_6-31g(d).firefly.inp (generated)

000903221.b3lyp_6-31g(d).smash.inp (generated)

000903221.b3lyp_6-31g(d).nwchem.inp (generated) 000903221.b3lyp_6-31g(d).log.xz 000903221.mol 000903221.PUBCHEM 000903221.mol (via Jmol)
000903223.b3lyp_6-31g(d).inp

000903223.b3lyp_6-31g(d).qchem.inp (generated)

000903223.b3lyp_6-31g(d).gjf (generated)

000903223.b3lyp_6-31g(d).firefly.inp (generated)

000903223.b3lyp_6-31g(d).smash.inp (generated)

000903223.b3lyp_6-31g(d).nwchem.inp (generated) 000903223.b3lyp_6-31g(d).log.xz 000903223.td-b3lyp_6-31g+(d).inp 000903223.td-b3lyp_6-31g+(d).log.xz

000903223.td-b3lyp_6-31+g(d).qchem.inp (generated)

000903223.td-b3lyp_6-31+g(d).gjf (generated)

000903223.td-b3lyp_6-31+g(d).firefly.inp (generated)

000903223.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000903223.mol 000903223.PUBCHEM 000903223.mol (via Jmol)
000903234.b3lyp_6-31g(d).inp

000903234.b3lyp_6-31g(d).qchem.inp (generated)

000903234.b3lyp_6-31g(d).gjf (generated)

000903234.b3lyp_6-31g(d).firefly.inp (generated)

000903234.b3lyp_6-31g(d).smash.inp (generated)

000903234.b3lyp_6-31g(d).nwchem.inp (generated) 000903234.b3lyp_6-31g(d).log.xz 000903234.td-b3lyp_6-31g+(d).inp 000903234.td-b3lyp_6-31g+(d).log.xz

000903234.td-b3lyp_6-31+g(d).qchem.inp (generated)

000903234.td-b3lyp_6-31+g(d).gjf (generated)

000903234.td-b3lyp_6-31+g(d).firefly.inp (generated)

000903234.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000903234.mol 000903234.PUBCHEM 000903234.mol (via Jmol)
000903250.b3lyp_6-31g(d).inp

000903250.b3lyp_6-31g(d).qchem.inp (generated)

000903250.b3lyp_6-31g(d).gjf (generated)

000903250.b3lyp_6-31g(d).firefly.inp (generated)

000903250.b3lyp_6-31g(d).smash.inp (generated)

000903250.b3lyp_6-31g(d).nwchem.inp (generated) 000903250.b3lyp_6-31g(d).log.xz 000903250.td-b3lyp_6-31g+(d).inp 000903250.td-b3lyp_6-31g+(d).log.xz

000903250.td-b3lyp_6-31+g(d).qchem.inp (generated)

000903250.td-b3lyp_6-31+g(d).gjf (generated)

000903250.td-b3lyp_6-31+g(d).firefly.inp (generated)

000903250.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000903250.mol 000903250.PUBCHEM 000903250.mol (via Jmol)
000903267.b3lyp_6-31g(d).inp

000903267.b3lyp_6-31g(d).qchem.inp (generated)

000903267.b3lyp_6-31g(d).gjf (generated)

000903267.b3lyp_6-31g(d).firefly.inp (generated)

000903267.b3lyp_6-31g(d).smash.inp (generated)

000903267.b3lyp_6-31g(d).nwchem.inp (generated) 000903267.b3lyp_6-31g(d).log.xz 000903267.td-b3lyp_6-31g+(d).inp 000903267.td-b3lyp_6-31g+(d).log.xz

000903267.td-b3lyp_6-31+g(d).qchem.inp (generated)

000903267.td-b3lyp_6-31+g(d).gjf (generated)

000903267.td-b3lyp_6-31+g(d).firefly.inp (generated)

000903267.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000903267.mol 000903267.PUBCHEM 000903267.mol (via Jmol)
000903279.b3lyp_6-31g(d).inp

000903279.b3lyp_6-31g(d).qchem.inp (generated)

000903279.b3lyp_6-31g(d).gjf (generated)

000903279.b3lyp_6-31g(d).firefly.inp (generated)

000903279.b3lyp_6-31g(d).smash.inp (generated)

000903279.b3lyp_6-31g(d).nwchem.inp (generated) 000903279.b3lyp_6-31g(d).log.xz 000903279.td-b3lyp_6-31g+(d).inp 000903279.td-b3lyp_6-31g+(d).log.xz

000903279.td-b3lyp_6-31+g(d).qchem.inp (generated)

000903279.td-b3lyp_6-31+g(d).gjf (generated)

000903279.td-b3lyp_6-31+g(d).firefly.inp (generated)

000903279.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000903279.mol 000903279.PUBCHEM 000903279.mol (via Jmol)
000903290.b3lyp_6-31g(d).inp

000903290.b3lyp_6-31g(d).qchem.inp (generated)

000903290.b3lyp_6-31g(d).gjf (generated)

000903290.b3lyp_6-31g(d).firefly.inp (generated)

000903290.b3lyp_6-31g(d).smash.inp (generated)

000903290.b3lyp_6-31g(d).nwchem.inp (generated) 000903290.b3lyp_6-31g(d).log.xz 000903290.mol 000903290.PUBCHEM 000903290.mol (via Jmol)
000903307.b3lyp_6-31g(d).inp

000903307.b3lyp_6-31g(d).qchem.inp (generated)

000903307.b3lyp_6-31g(d).gjf (generated)

000903307.b3lyp_6-31g(d).firefly.inp (generated)

000903307.b3lyp_6-31g(d).smash.inp (generated)

000903307.b3lyp_6-31g(d).nwchem.inp (generated) 000903307.b3lyp_6-31g(d).log.xz 000903307.td-b3lyp_6-31g+(d).inp 000903307.td-b3lyp_6-31g+(d).log.xz

000903307.td-b3lyp_6-31+g(d).qchem.inp (generated)

000903307.td-b3lyp_6-31+g(d).gjf (generated)

000903307.td-b3lyp_6-31+g(d).firefly.inp (generated)

000903307.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000903307.mol 000903307.PUBCHEM 000903307.mol (via Jmol)
000903311.b3lyp_6-31g(d).inp

000903311.b3lyp_6-31g(d).qchem.inp (generated)

000903311.b3lyp_6-31g(d).gjf (generated)

000903311.b3lyp_6-31g(d).firefly.inp (generated)

000903311.b3lyp_6-31g(d).smash.inp (generated)

000903311.b3lyp_6-31g(d).nwchem.inp (generated) 000903311.b3lyp_6-31g(d).log.xz 000903311.td-b3lyp_6-31g+(d).inp 000903311.td-b3lyp_6-31g+(d).log.xz

000903311.td-b3lyp_6-31+g(d).qchem.inp (generated)

000903311.td-b3lyp_6-31+g(d).gjf (generated)

000903311.td-b3lyp_6-31+g(d).firefly.inp (generated)

000903311.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000903311.mol 000903311.PUBCHEM 000903311.mol (via Jmol)
000903332.b3lyp_6-31g(d).inp

000903332.b3lyp_6-31g(d).qchem.inp (generated)

000903332.b3lyp_6-31g(d).gjf (generated)

000903332.b3lyp_6-31g(d).firefly.inp (generated)

000903332.b3lyp_6-31g(d).smash.inp (generated)

000903332.b3lyp_6-31g(d).nwchem.inp (generated) 000903332.b3lyp_6-31g(d).log.xz 000903332.td-b3lyp_6-31g+(d).inp 000903332.td-b3lyp_6-31g+(d).log.xz

000903332.td-b3lyp_6-31+g(d).qchem.inp (generated)

000903332.td-b3lyp_6-31+g(d).gjf (generated)

000903332.td-b3lyp_6-31+g(d).firefly.inp (generated)

000903332.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000903332.mol 000903332.PUBCHEM 000903332.mol (via Jmol)
000903333.b3lyp_6-31g(d).inp

000903333.b3lyp_6-31g(d).qchem.inp (generated)

000903333.b3lyp_6-31g(d).gjf (generated)

000903333.b3lyp_6-31g(d).firefly.inp (generated)

000903333.b3lyp_6-31g(d).smash.inp (generated)

000903333.b3lyp_6-31g(d).nwchem.inp (generated) 000903333.b3lyp_6-31g(d).log.xz 000903333.td-b3lyp_6-31g+(d).inp 000903333.td-b3lyp_6-31g+(d).log.xz

000903333.td-b3lyp_6-31+g(d).qchem.inp (generated)

000903333.td-b3lyp_6-31+g(d).gjf (generated)

000903333.td-b3lyp_6-31+g(d).firefly.inp (generated)

000903333.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000903333.mol 000903333.PUBCHEM 000903333.mol (via Jmol)
000903339.b3lyp_6-31g(d).inp

000903339.b3lyp_6-31g(d).qchem.inp (generated)

000903339.b3lyp_6-31g(d).gjf (generated)

000903339.b3lyp_6-31g(d).firefly.inp (generated)

000903339.b3lyp_6-31g(d).smash.inp (generated)

000903339.b3lyp_6-31g(d).nwchem.inp (generated) 000903339.b3lyp_6-31g(d).log.xz 000903339.td-b3lyp_6-31g+(d).inp 000903339.td-b3lyp_6-31g+(d).log.xz

000903339.td-b3lyp_6-31+g(d).qchem.inp (generated)

000903339.td-b3lyp_6-31+g(d).gjf (generated)

000903339.td-b3lyp_6-31+g(d).firefly.inp (generated)

000903339.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000903339.mol 000903339.PUBCHEM 000903339.mol (via Jmol)
000903347.b3lyp_6-31g(d).inp

000903347.b3lyp_6-31g(d).qchem.inp (generated)

000903347.b3lyp_6-31g(d).gjf (generated)

000903347.b3lyp_6-31g(d).firefly.inp (generated)

000903347.b3lyp_6-31g(d).smash.inp (generated)

000903347.b3lyp_6-31g(d).nwchem.inp (generated) 000903347.b3lyp_6-31g(d).log.xz 000903347.td-b3lyp_6-31g+(d).inp 000903347.td-b3lyp_6-31g+(d).log.xz

000903347.td-b3lyp_6-31+g(d).qchem.inp (generated)

000903347.td-b3lyp_6-31+g(d).gjf (generated)

000903347.td-b3lyp_6-31+g(d).firefly.inp (generated)

000903347.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000903347.mol 000903347.PUBCHEM 000903347.mol (via Jmol)
000903348.b3lyp_6-31g(d).inp

000903348.b3lyp_6-31g(d).qchem.inp (generated)

000903348.b3lyp_6-31g(d).gjf (generated)

000903348.b3lyp_6-31g(d).firefly.inp (generated)

000903348.b3lyp_6-31g(d).smash.inp (generated)

000903348.b3lyp_6-31g(d).nwchem.inp (generated) 000903348.b3lyp_6-31g(d).log.xz 000903348.td-b3lyp_6-31g+(d).inp 000903348.td-b3lyp_6-31g+(d).log.xz

000903348.td-b3lyp_6-31+g(d).qchem.inp (generated)

000903348.td-b3lyp_6-31+g(d).gjf (generated)

000903348.td-b3lyp_6-31+g(d).firefly.inp (generated)

000903348.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000903348.mol 000903348.PUBCHEM 000903348.mol (via Jmol)
000903353.b3lyp_6-31g(d).inp

000903353.b3lyp_6-31g(d).qchem.inp (generated)

000903353.b3lyp_6-31g(d).gjf (generated)

000903353.b3lyp_6-31g(d).firefly.inp (generated)

000903353.b3lyp_6-31g(d).smash.inp (generated)

000903353.b3lyp_6-31g(d).nwchem.inp (generated) 000903353.b3lyp_6-31g(d).log.xz 000903353.td-b3lyp_6-31g+(d).inp 000903353.td-b3lyp_6-31g+(d).log.xz

000903353.td-b3lyp_6-31+g(d).qchem.inp (generated)

000903353.td-b3lyp_6-31+g(d).gjf (generated)

000903353.td-b3lyp_6-31+g(d).firefly.inp (generated)

000903353.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000903353.mol 000903353.PUBCHEM 000903353.mol (via Jmol)
000903366.b3lyp_6-31g(d).inp

000903366.b3lyp_6-31g(d).qchem.inp (generated)

000903366.b3lyp_6-31g(d).gjf (generated)

000903366.b3lyp_6-31g(d).firefly.inp (generated)

000903366.b3lyp_6-31g(d).smash.inp (generated)

000903366.b3lyp_6-31g(d).nwchem.inp (generated) 000903366.b3lyp_6-31g(d).log.xz 000903366.td-b3lyp_6-31g+(d).inp 000903366.td-b3lyp_6-31g+(d).log.xz

000903366.td-b3lyp_6-31+g(d).qchem.inp (generated)

000903366.td-b3lyp_6-31+g(d).gjf (generated)

000903366.td-b3lyp_6-31+g(d).firefly.inp (generated)

000903366.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000903366.mol 000903366.PUBCHEM 000903366.mol (via Jmol)
000903371.b3lyp_6-31g(d).inp

000903371.b3lyp_6-31g(d).qchem.inp (generated)

000903371.b3lyp_6-31g(d).gjf (generated)

000903371.b3lyp_6-31g(d).firefly.inp (generated)

000903371.b3lyp_6-31g(d).smash.inp (generated)

000903371.b3lyp_6-31g(d).nwchem.inp (generated) 000903371.b3lyp_6-31g(d).log.xz 000903371.td-b3lyp_6-31g+(d).inp 000903371.td-b3lyp_6-31g+(d).log.xz

000903371.td-b3lyp_6-31+g(d).qchem.inp (generated)

000903371.td-b3lyp_6-31+g(d).gjf (generated)

000903371.td-b3lyp_6-31+g(d).firefly.inp (generated)

000903371.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000903371.mol 000903371.PUBCHEM 000903371.mol (via Jmol)
000903390.b3lyp_6-31g(d).inp

000903390.b3lyp_6-31g(d).qchem.inp (generated)

000903390.b3lyp_6-31g(d).gjf (generated)

000903390.b3lyp_6-31g(d).firefly.inp (generated)

000903390.b3lyp_6-31g(d).smash.inp (generated)

000903390.b3lyp_6-31g(d).nwchem.inp (generated) 000903390.b3lyp_6-31g(d).log.xz 000903390.td-b3lyp_6-31g+(d).inp 000903390.td-b3lyp_6-31g+(d).log.xz

000903390.td-b3lyp_6-31+g(d).qchem.inp (generated)

000903390.td-b3lyp_6-31+g(d).gjf (generated)

000903390.td-b3lyp_6-31+g(d).firefly.inp (generated)

000903390.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000903390.mol 000903390.PUBCHEM 000903390.mol (via Jmol)
000903404.b3lyp_6-31g(d).inp

000903404.b3lyp_6-31g(d).qchem.inp (generated)

000903404.b3lyp_6-31g(d).gjf (generated)

000903404.b3lyp_6-31g(d).firefly.inp (generated)

000903404.b3lyp_6-31g(d).smash.inp (generated)

000903404.b3lyp_6-31g(d).nwchem.inp (generated) 000903404.b3lyp_6-31g(d).log.xz 000903404.td-b3lyp_6-31g+(d).inp 000903404.td-b3lyp_6-31g+(d).log.xz

000903404.td-b3lyp_6-31+g(d).qchem.inp (generated)

000903404.td-b3lyp_6-31+g(d).gjf (generated)

000903404.td-b3lyp_6-31+g(d).firefly.inp (generated)

000903404.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000903404.mol 000903404.PUBCHEM 000903404.mol (via Jmol)
000903410.b3lyp_6-31g(d).inp

000903410.b3lyp_6-31g(d).qchem.inp (generated)

000903410.b3lyp_6-31g(d).gjf (generated)

000903410.b3lyp_6-31g(d).firefly.inp (generated)

000903410.b3lyp_6-31g(d).smash.inp (generated)

000903410.b3lyp_6-31g(d).nwchem.inp (generated) 000903410.b3lyp_6-31g(d).log.xz 000903410.td-b3lyp_6-31g+(d).inp 000903410.td-b3lyp_6-31g+(d).log.xz

000903410.td-b3lyp_6-31+g(d).qchem.inp (generated)

000903410.td-b3lyp_6-31+g(d).gjf (generated)

000903410.td-b3lyp_6-31+g(d).firefly.inp (generated)

000903410.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000903410.mol 000903410.PUBCHEM 000903410.mol (via Jmol)
000903440.b3lyp_6-31g(d).inp

000903440.b3lyp_6-31g(d).qchem.inp (generated)

000903440.b3lyp_6-31g(d).gjf (generated)

000903440.b3lyp_6-31g(d).firefly.inp (generated)

000903440.b3lyp_6-31g(d).smash.inp (generated)

000903440.b3lyp_6-31g(d).nwchem.inp (generated) 000903440.b3lyp_6-31g(d).log.xz 000903440.td-b3lyp_6-31g+(d).inp 000903440.td-b3lyp_6-31g+(d).log.xz

000903440.td-b3lyp_6-31+g(d).qchem.inp (generated)

000903440.td-b3lyp_6-31+g(d).gjf (generated)

000903440.td-b3lyp_6-31+g(d).firefly.inp (generated)

000903440.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000903440.mol 000903440.PUBCHEM 000903440.mol (via Jmol)
000903470.b3lyp_6-31g(d).inp

000903470.b3lyp_6-31g(d).qchem.inp (generated)

000903470.b3lyp_6-31g(d).gjf (generated)

000903470.b3lyp_6-31g(d).firefly.inp (generated)

000903470.b3lyp_6-31g(d).smash.inp (generated)

000903470.b3lyp_6-31g(d).nwchem.inp (generated) 000903470.b3lyp_6-31g(d).log.xz 000903470.td-b3lyp_6-31g+(d).inp 000903470.td-b3lyp_6-31g+(d).log.xz

000903470.td-b3lyp_6-31+g(d).qchem.inp (generated)

000903470.td-b3lyp_6-31+g(d).gjf (generated)

000903470.td-b3lyp_6-31+g(d).firefly.inp (generated)

000903470.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000903470.mol 000903470.PUBCHEM 000903470.mol (via Jmol)
000903515.b3lyp_6-31g(d).inp

000903515.b3lyp_6-31g(d).qchem.inp (generated)

000903515.b3lyp_6-31g(d).gjf (generated)

000903515.b3lyp_6-31g(d).firefly.inp (generated)

000903515.b3lyp_6-31g(d).smash.inp (generated)

000903515.b3lyp_6-31g(d).nwchem.inp (generated) 000903515.b3lyp_6-31g(d).log.xz 000903515.td-b3lyp_6-31g+(d).inp 000903515.td-b3lyp_6-31g+(d).log.xz

000903515.td-b3lyp_6-31+g(d).qchem.inp (generated)

000903515.td-b3lyp_6-31+g(d).gjf (generated)

000903515.td-b3lyp_6-31+g(d).firefly.inp (generated)

000903515.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000903515.mol 000903515.PUBCHEM 000903515.mol (via Jmol)
000903522.b3lyp_6-31g(d).inp

000903522.b3lyp_6-31g(d).qchem.inp (generated)

000903522.b3lyp_6-31g(d).gjf (generated)

000903522.b3lyp_6-31g(d).firefly.inp (generated)

000903522.b3lyp_6-31g(d).smash.inp (generated)

000903522.b3lyp_6-31g(d).nwchem.inp (generated) 000903522.b3lyp_6-31g(d).log.xz 000903522.td-b3lyp_6-31g+(d).inp 000903522.td-b3lyp_6-31g+(d).log.xz

000903522.td-b3lyp_6-31+g(d).qchem.inp (generated)

000903522.td-b3lyp_6-31+g(d).gjf (generated)

000903522.td-b3lyp_6-31+g(d).firefly.inp (generated)

000903522.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000903522.mol 000903522.PUBCHEM 000903522.mol (via Jmol)
000903533.b3lyp_6-31g(d).inp

000903533.b3lyp_6-31g(d).qchem.inp (generated)

000903533.b3lyp_6-31g(d).gjf (generated)

000903533.b3lyp_6-31g(d).firefly.inp (generated)

000903533.b3lyp_6-31g(d).smash.inp (generated)

000903533.b3lyp_6-31g(d).nwchem.inp (generated) 000903533.b3lyp_6-31g(d).log.xz 000903533.td-b3lyp_6-31g+(d).inp 000903533.td-b3lyp_6-31g+(d).log.xz

000903533.td-b3lyp_6-31+g(d).qchem.inp (generated)

000903533.td-b3lyp_6-31+g(d).gjf (generated)

000903533.td-b3lyp_6-31+g(d).firefly.inp (generated)

000903533.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000903533.mol 000903533.PUBCHEM 000903533.mol (via Jmol)
000903544.b3lyp_6-31g(d).inp

000903544.b3lyp_6-31g(d).qchem.inp (generated)

000903544.b3lyp_6-31g(d).gjf (generated)

000903544.b3lyp_6-31g(d).firefly.inp (generated)

000903544.b3lyp_6-31g(d).smash.inp (generated)

000903544.b3lyp_6-31g(d).nwchem.inp (generated) 000903544.b3lyp_6-31g(d).log.xz 000903544.td-b3lyp_6-31g+(d).inp 000903544.td-b3lyp_6-31g+(d).log.xz

000903544.td-b3lyp_6-31+g(d).qchem.inp (generated)

000903544.td-b3lyp_6-31+g(d).gjf (generated)

000903544.td-b3lyp_6-31+g(d).firefly.inp (generated)

000903544.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000903544.mol 000903544.PUBCHEM 000903544.mol (via Jmol)
000903546.b3lyp_6-31g(d).inp

000903546.b3lyp_6-31g(d).qchem.inp (generated)

000903546.b3lyp_6-31g(d).gjf (generated)

000903546.b3lyp_6-31g(d).firefly.inp (generated)

000903546.b3lyp_6-31g(d).smash.inp (generated)

000903546.b3lyp_6-31g(d).nwchem.inp (generated) 000903546.b3lyp_6-31g(d).log.xz 000903546.td-b3lyp_6-31g+(d).inp 000903546.td-b3lyp_6-31g+(d).log.xz

000903546.td-b3lyp_6-31+g(d).qchem.inp (generated)

000903546.td-b3lyp_6-31+g(d).gjf (generated)

000903546.td-b3lyp_6-31+g(d).firefly.inp (generated)

000903546.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000903546.mol 000903546.PUBCHEM 000903546.mol (via Jmol)
000903586.b3lyp_6-31g(d).inp

000903586.b3lyp_6-31g(d).qchem.inp (generated)

000903586.b3lyp_6-31g(d).gjf (generated)

000903586.b3lyp_6-31g(d).firefly.inp (generated)

000903586.b3lyp_6-31g(d).smash.inp (generated)

000903586.b3lyp_6-31g(d).nwchem.inp (generated) 000903586.b3lyp_6-31g(d).log.xz 000903586.td-b3lyp_6-31g+(d).inp 000903586.td-b3lyp_6-31g+(d).log.xz

000903586.td-b3lyp_6-31+g(d).qchem.inp (generated)

000903586.td-b3lyp_6-31+g(d).gjf (generated)

000903586.td-b3lyp_6-31+g(d).firefly.inp (generated)

000903586.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000903586.mol 000903586.PUBCHEM 000903586.mol (via Jmol)
000903588.b3lyp_6-31g(d).inp

000903588.b3lyp_6-31g(d).qchem.inp (generated)

000903588.b3lyp_6-31g(d).gjf (generated)

000903588.b3lyp_6-31g(d).firefly.inp (generated)

000903588.b3lyp_6-31g(d).smash.inp (generated)

000903588.b3lyp_6-31g(d).nwchem.inp (generated) 000903588.b3lyp_6-31g(d).log.xz 000903588.td-b3lyp_6-31g+(d).inp 000903588.td-b3lyp_6-31g+(d).log.xz

000903588.td-b3lyp_6-31+g(d).qchem.inp (generated)

000903588.td-b3lyp_6-31+g(d).gjf (generated)

000903588.td-b3lyp_6-31+g(d).firefly.inp (generated)

000903588.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000903588.mol 000903588.PUBCHEM 000903588.mol (via Jmol)
000903613.b3lyp_6-31g(d).inp

000903613.b3lyp_6-31g(d).qchem.inp (generated)

000903613.b3lyp_6-31g(d).gjf (generated)

000903613.b3lyp_6-31g(d).firefly.inp (generated)

000903613.b3lyp_6-31g(d).smash.inp (generated)

000903613.b3lyp_6-31g(d).nwchem.inp (generated) 000903613.b3lyp_6-31g(d).log.xz 000903613.td-b3lyp_6-31g+(d).inp 000903613.td-b3lyp_6-31g+(d).log.xz

000903613.td-b3lyp_6-31+g(d).qchem.inp (generated)

000903613.td-b3lyp_6-31+g(d).gjf (generated)

000903613.td-b3lyp_6-31+g(d).firefly.inp (generated)

000903613.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000903613.mol 000903613.PUBCHEM 000903613.mol (via Jmol)
000903658.b3lyp_6-31g(d).inp

000903658.b3lyp_6-31g(d).qchem.inp (generated)

000903658.b3lyp_6-31g(d).gjf (generated)

000903658.b3lyp_6-31g(d).firefly.inp (generated)

000903658.b3lyp_6-31g(d).smash.inp (generated)

000903658.b3lyp_6-31g(d).nwchem.inp (generated) 000903658.b3lyp_6-31g(d).log.xz 000903658.mol 000903658.PUBCHEM 000903658.mol (via Jmol)
000903686.b3lyp_6-31g(d).inp

000903686.b3lyp_6-31g(d).qchem.inp (generated)

000903686.b3lyp_6-31g(d).gjf (generated)

000903686.b3lyp_6-31g(d).firefly.inp (generated)

000903686.b3lyp_6-31g(d).smash.inp (generated)

000903686.b3lyp_6-31g(d).nwchem.inp (generated) 000903686.b3lyp_6-31g(d).log.xz 000903686.td-b3lyp_6-31g+(d).inp 000903686.td-b3lyp_6-31g+(d).log.xz

000903686.td-b3lyp_6-31+g(d).qchem.inp (generated)

000903686.td-b3lyp_6-31+g(d).gjf (generated)

000903686.td-b3lyp_6-31+g(d).firefly.inp (generated)

000903686.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000903686.mol 000903686.PUBCHEM 000903686.mol (via Jmol)
000903687.b3lyp_6-31g(d).inp

000903687.b3lyp_6-31g(d).qchem.inp (generated)

000903687.b3lyp_6-31g(d).gjf (generated)

000903687.b3lyp_6-31g(d).firefly.inp (generated)

000903687.b3lyp_6-31g(d).smash.inp (generated)

000903687.b3lyp_6-31g(d).nwchem.inp (generated) 000903687.b3lyp_6-31g(d).log.xz 000903687.td-b3lyp_6-31g+(d).inp 000903687.td-b3lyp_6-31g+(d).log.xz

000903687.td-b3lyp_6-31+g(d).qchem.inp (generated)

000903687.td-b3lyp_6-31+g(d).gjf (generated)

000903687.td-b3lyp_6-31+g(d).firefly.inp (generated)

000903687.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000903687.mol 000903687.PUBCHEM 000903687.mol (via Jmol)
000903688.b3lyp_6-31g(d).inp

000903688.b3lyp_6-31g(d).qchem.inp (generated)

000903688.b3lyp_6-31g(d).gjf (generated)

000903688.b3lyp_6-31g(d).firefly.inp (generated)

000903688.b3lyp_6-31g(d).smash.inp (generated)

000903688.b3lyp_6-31g(d).nwchem.inp (generated) 000903688.b3lyp_6-31g(d).log.xz 000903688.td-b3lyp_6-31g+(d).inp 000903688.td-b3lyp_6-31g+(d).log.xz

000903688.td-b3lyp_6-31+g(d).qchem.inp (generated)

000903688.td-b3lyp_6-31+g(d).gjf (generated)

000903688.td-b3lyp_6-31+g(d).firefly.inp (generated)

000903688.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000903688.mol 000903688.PUBCHEM 000903688.mol (via Jmol)
000903714.b3lyp_6-31g(d).inp

000903714.b3lyp_6-31g(d).qchem.inp (generated)

000903714.b3lyp_6-31g(d).gjf (generated)

000903714.b3lyp_6-31g(d).firefly.inp (generated)

000903714.b3lyp_6-31g(d).smash.inp (generated)

000903714.b3lyp_6-31g(d).nwchem.inp (generated) 000903714.b3lyp_6-31g(d).log.xz 000903714.td-b3lyp_6-31g+(d).inp 000903714.td-b3lyp_6-31g+(d).log.xz

000903714.td-b3lyp_6-31+g(d).qchem.inp (generated)

000903714.td-b3lyp_6-31+g(d).gjf (generated)

000903714.td-b3lyp_6-31+g(d).firefly.inp (generated)

000903714.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000903714.mol 000903714.PUBCHEM 000903714.mol (via Jmol)
000903789.b3lyp_6-31g(d).inp

000903789.b3lyp_6-31g(d).qchem.inp (generated)

000903789.b3lyp_6-31g(d).gjf (generated)

000903789.b3lyp_6-31g(d).firefly.inp (generated)

000903789.b3lyp_6-31g(d).smash.inp (generated)

000903789.b3lyp_6-31g(d).nwchem.inp (generated) 000903789.b3lyp_6-31g(d).log.xz 000903789.td-b3lyp_6-31g+(d).inp 000903789.td-b3lyp_6-31g+(d).log.xz

000903789.td-b3lyp_6-31+g(d).qchem.inp (generated)

000903789.td-b3lyp_6-31+g(d).gjf (generated)

000903789.td-b3lyp_6-31+g(d).firefly.inp (generated)

000903789.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000903789.mol 000903789.PUBCHEM 000903789.mol (via Jmol)
000903813.b3lyp_6-31g(d).inp

000903813.b3lyp_6-31g(d).qchem.inp (generated)

000903813.b3lyp_6-31g(d).gjf (generated)

000903813.b3lyp_6-31g(d).firefly.inp (generated)

000903813.b3lyp_6-31g(d).smash.inp (generated)

000903813.b3lyp_6-31g(d).nwchem.inp (generated) 000903813.b3lyp_6-31g(d).log.xz 000903813.td-b3lyp_6-31g+(d).inp 000903813.td-b3lyp_6-31g+(d).log.xz

000903813.td-b3lyp_6-31+g(d).qchem.inp (generated)

000903813.td-b3lyp_6-31+g(d).gjf (generated)

000903813.td-b3lyp_6-31+g(d).firefly.inp (generated)

000903813.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000903813.mol 000903813.PUBCHEM 000903813.mol (via Jmol)
000903844.b3lyp_6-31g(d).inp

000903844.b3lyp_6-31g(d).qchem.inp (generated)

000903844.b3lyp_6-31g(d).gjf (generated)

000903844.b3lyp_6-31g(d).firefly.inp (generated)

000903844.b3lyp_6-31g(d).smash.inp (generated)

000903844.b3lyp_6-31g(d).nwchem.inp (generated) 000903844.b3lyp_6-31g(d).log.xz 000903844.td-b3lyp_6-31g+(d).inp 000903844.td-b3lyp_6-31g+(d).log.xz

000903844.td-b3lyp_6-31+g(d).qchem.inp (generated)

000903844.td-b3lyp_6-31+g(d).gjf (generated)

000903844.td-b3lyp_6-31+g(d).firefly.inp (generated)

000903844.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000903844.mol 000903844.PUBCHEM 000903844.mol (via Jmol)
000903845.b3lyp_6-31g(d).inp

000903845.b3lyp_6-31g(d).qchem.inp (generated)

000903845.b3lyp_6-31g(d).gjf (generated)

000903845.b3lyp_6-31g(d).firefly.inp (generated)

000903845.b3lyp_6-31g(d).smash.inp (generated)

000903845.b3lyp_6-31g(d).nwchem.inp (generated) 000903845.b3lyp_6-31g(d).log.xz 000903845.td-b3lyp_6-31g+(d).inp 000903845.td-b3lyp_6-31g+(d).log.xz

000903845.td-b3lyp_6-31+g(d).qchem.inp (generated)

000903845.td-b3lyp_6-31+g(d).gjf (generated)

000903845.td-b3lyp_6-31+g(d).firefly.inp (generated)

000903845.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000903845.mol 000903845.PUBCHEM 000903845.mol (via Jmol)
000903859.b3lyp_6-31g(d).inp

000903859.b3lyp_6-31g(d).qchem.inp (generated)

000903859.b3lyp_6-31g(d).gjf (generated)

000903859.b3lyp_6-31g(d).firefly.inp (generated)

000903859.b3lyp_6-31g(d).smash.inp (generated)

000903859.b3lyp_6-31g(d).nwchem.inp (generated) 000903859.b3lyp_6-31g(d).log.xz 000903859.td-b3lyp_6-31g+(d).inp 000903859.td-b3lyp_6-31g+(d).log.xz

000903859.td-b3lyp_6-31+g(d).qchem.inp (generated)

000903859.td-b3lyp_6-31+g(d).gjf (generated)

000903859.td-b3lyp_6-31+g(d).firefly.inp (generated)

000903859.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000903859.mol 000903859.PUBCHEM 000903859.mol (via Jmol)
000903865.b3lyp_6-31g(d).inp

000903865.b3lyp_6-31g(d).qchem.inp (generated)

000903865.b3lyp_6-31g(d).gjf (generated)

000903865.b3lyp_6-31g(d).firefly.inp (generated)

000903865.b3lyp_6-31g(d).smash.inp (generated)

000903865.b3lyp_6-31g(d).nwchem.inp (generated) 000903865.b3lyp_6-31g(d).log.xz 000903865.td-b3lyp_6-31g+(d).inp 000903865.td-b3lyp_6-31g+(d).log.xz

000903865.td-b3lyp_6-31+g(d).qchem.inp (generated)

000903865.td-b3lyp_6-31+g(d).gjf (generated)

000903865.td-b3lyp_6-31+g(d).firefly.inp (generated)

000903865.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000903865.mol 000903865.PUBCHEM 000903865.mol (via Jmol)
000903872.b3lyp_6-31g(d).inp

000903872.b3lyp_6-31g(d).qchem.inp (generated)

000903872.b3lyp_6-31g(d).gjf (generated)

000903872.b3lyp_6-31g(d).firefly.inp (generated)

000903872.b3lyp_6-31g(d).smash.inp (generated)

000903872.b3lyp_6-31g(d).nwchem.inp (generated) 000903872.b3lyp_6-31g(d).log.xz 000903872.td-b3lyp_6-31g+(d).inp 000903872.td-b3lyp_6-31g+(d).log.xz

000903872.td-b3lyp_6-31+g(d).qchem.inp (generated)

000903872.td-b3lyp_6-31+g(d).gjf (generated)

000903872.td-b3lyp_6-31+g(d).firefly.inp (generated)

000903872.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000903872.mol 000903872.PUBCHEM 000903872.mol (via Jmol)
000903897.b3lyp_6-31g(d).inp

000903897.b3lyp_6-31g(d).qchem.inp (generated)

000903897.b3lyp_6-31g(d).gjf (generated)

000903897.b3lyp_6-31g(d).firefly.inp (generated)

000903897.b3lyp_6-31g(d).smash.inp (generated)

000903897.b3lyp_6-31g(d).nwchem.inp (generated) 000903897.b3lyp_6-31g(d).log.xz 000903897.td-b3lyp_6-31g+(d).inp 000903897.td-b3lyp_6-31g+(d).log.xz

000903897.td-b3lyp_6-31+g(d).qchem.inp (generated)

000903897.td-b3lyp_6-31+g(d).gjf (generated)

000903897.td-b3lyp_6-31+g(d).firefly.inp (generated)

000903897.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000903897.mol 000903897.PUBCHEM 000903897.mol (via Jmol)
000903923.b3lyp_6-31g(d).inp

000903923.b3lyp_6-31g(d).qchem.inp (generated)

000903923.b3lyp_6-31g(d).gjf (generated)

000903923.b3lyp_6-31g(d).firefly.inp (generated)

000903923.b3lyp_6-31g(d).smash.inp (generated)

000903923.b3lyp_6-31g(d).nwchem.inp (generated) 000903923.b3lyp_6-31g(d).log.xz 000903923.td-b3lyp_6-31g+(d).inp 000903923.td-b3lyp_6-31g+(d).log.xz

000903923.td-b3lyp_6-31+g(d).qchem.inp (generated)

000903923.td-b3lyp_6-31+g(d).gjf (generated)

000903923.td-b3lyp_6-31+g(d).firefly.inp (generated)

000903923.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000903923.mol 000903923.PUBCHEM 000903923.mol (via Jmol)
000903937.b3lyp_6-31g(d).inp

000903937.b3lyp_6-31g(d).qchem.inp (generated)

000903937.b3lyp_6-31g(d).gjf (generated)

000903937.b3lyp_6-31g(d).firefly.inp (generated)

000903937.b3lyp_6-31g(d).smash.inp (generated)

000903937.b3lyp_6-31g(d).nwchem.inp (generated) 000903937.b3lyp_6-31g(d).log.xz 000903937.td-b3lyp_6-31g+(d).inp 000903937.td-b3lyp_6-31g+(d).log.xz

000903937.td-b3lyp_6-31+g(d).qchem.inp (generated)

000903937.td-b3lyp_6-31+g(d).gjf (generated)

000903937.td-b3lyp_6-31+g(d).firefly.inp (generated)

000903937.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000903937.mol 000903937.PUBCHEM 000903937.mol (via Jmol)
000903966.b3lyp_6-31g(d).inp

000903966.b3lyp_6-31g(d).qchem.inp (generated)

000903966.b3lyp_6-31g(d).gjf (generated)

000903966.b3lyp_6-31g(d).firefly.inp (generated)

000903966.b3lyp_6-31g(d).smash.inp (generated)

000903966.b3lyp_6-31g(d).nwchem.inp (generated) 000903966.b3lyp_6-31g(d).log.xz 000903966.td-b3lyp_6-31g+(d).inp 000903966.td-b3lyp_6-31g+(d).log.xz

000903966.td-b3lyp_6-31+g(d).qchem.inp (generated)

000903966.td-b3lyp_6-31+g(d).gjf (generated)

000903966.td-b3lyp_6-31+g(d).firefly.inp (generated)

000903966.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000903966.mol 000903966.PUBCHEM 000903966.mol (via Jmol)
000903977.b3lyp_6-31g(d).inp

000903977.b3lyp_6-31g(d).qchem.inp (generated)

000903977.b3lyp_6-31g(d).gjf (generated)

000903977.b3lyp_6-31g(d).firefly.inp (generated)

000903977.b3lyp_6-31g(d).smash.inp (generated)

000903977.b3lyp_6-31g(d).nwchem.inp (generated) 000903977.b3lyp_6-31g(d).log.xz 000903977.mol 000903977.PUBCHEM 000903977.mol (via Jmol)
000904005.b3lyp_6-31g(d).inp

000904005.b3lyp_6-31g(d).qchem.inp (generated)

000904005.b3lyp_6-31g(d).gjf (generated)

000904005.b3lyp_6-31g(d).firefly.inp (generated)

000904005.b3lyp_6-31g(d).smash.inp (generated)

000904005.b3lyp_6-31g(d).nwchem.inp (generated) 000904005.b3lyp_6-31g(d).log.xz 000904005.td-b3lyp_6-31g+(d).inp 000904005.td-b3lyp_6-31g+(d).log.xz

000904005.td-b3lyp_6-31+g(d).qchem.inp (generated)

000904005.td-b3lyp_6-31+g(d).gjf (generated)

000904005.td-b3lyp_6-31+g(d).firefly.inp (generated)

000904005.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000904005.mol 000904005.PUBCHEM 000904005.mol (via Jmol)
000904012.b3lyp_6-31g(d).inp

000904012.b3lyp_6-31g(d).qchem.inp (generated)

000904012.b3lyp_6-31g(d).gjf (generated)

000904012.b3lyp_6-31g(d).firefly.inp (generated)

000904012.b3lyp_6-31g(d).smash.inp (generated)

000904012.b3lyp_6-31g(d).nwchem.inp (generated) 000904012.b3lyp_6-31g(d).log.xz 000904012.td-b3lyp_6-31g+(d).inp 000904012.td-b3lyp_6-31g+(d).log.xz

000904012.td-b3lyp_6-31+g(d).qchem.inp (generated)

000904012.td-b3lyp_6-31+g(d).gjf (generated)

000904012.td-b3lyp_6-31+g(d).firefly.inp (generated)

000904012.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000904012.mol 000904012.PUBCHEM 000904012.mol (via Jmol)
000904015.b3lyp_6-31g(d).inp

000904015.b3lyp_6-31g(d).qchem.inp (generated)

000904015.b3lyp_6-31g(d).gjf (generated)

000904015.b3lyp_6-31g(d).firefly.inp (generated)

000904015.b3lyp_6-31g(d).smash.inp (generated)

000904015.b3lyp_6-31g(d).nwchem.inp (generated) 000904015.b3lyp_6-31g(d).log.xz 000904015.td-b3lyp_6-31g+(d).inp 000904015.td-b3lyp_6-31g+(d).log.xz

000904015.td-b3lyp_6-31+g(d).qchem.inp (generated)

000904015.td-b3lyp_6-31+g(d).gjf (generated)

000904015.td-b3lyp_6-31+g(d).firefly.inp (generated)

000904015.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000904015.mol 000904015.PUBCHEM 000904015.mol (via Jmol)
000904067.b3lyp_6-31g(d).inp

000904067.b3lyp_6-31g(d).qchem.inp (generated)

000904067.b3lyp_6-31g(d).gjf (generated)

000904067.b3lyp_6-31g(d).firefly.inp (generated)

000904067.b3lyp_6-31g(d).smash.inp (generated)

000904067.b3lyp_6-31g(d).nwchem.inp (generated) 000904067.b3lyp_6-31g(d).log.xz 000904067.mol 000904067.PUBCHEM 000904067.mol (via Jmol)
000904072.b3lyp_6-31g(d).inp

000904072.b3lyp_6-31g(d).qchem.inp (generated)

000904072.b3lyp_6-31g(d).gjf (generated)

000904072.b3lyp_6-31g(d).firefly.inp (generated)

000904072.b3lyp_6-31g(d).smash.inp (generated)

000904072.b3lyp_6-31g(d).nwchem.inp (generated) 000904072.b3lyp_6-31g(d).log.xz 000904072.mol 000904072.PUBCHEM 000904072.mol (via Jmol)
000904073.b3lyp_6-31g(d).inp

000904073.b3lyp_6-31g(d).qchem.inp (generated)

000904073.b3lyp_6-31g(d).gjf (generated)

000904073.b3lyp_6-31g(d).firefly.inp (generated)

000904073.b3lyp_6-31g(d).smash.inp (generated)

000904073.b3lyp_6-31g(d).nwchem.inp (generated) 000904073.b3lyp_6-31g(d).log.xz 000904073.td-b3lyp_6-31g+(d).inp 000904073.td-b3lyp_6-31g+(d).log.xz

000904073.td-b3lyp_6-31+g(d).qchem.inp (generated)

000904073.td-b3lyp_6-31+g(d).gjf (generated)

000904073.td-b3lyp_6-31+g(d).firefly.inp (generated)

000904073.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000904073.mol 000904073.PUBCHEM 000904073.mol (via Jmol)
000904075.b3lyp_6-31g(d).inp

000904075.b3lyp_6-31g(d).qchem.inp (generated)

000904075.b3lyp_6-31g(d).gjf (generated)

000904075.b3lyp_6-31g(d).firefly.inp (generated)

000904075.b3lyp_6-31g(d).smash.inp (generated)