Index of

Last updated : Thu Aug 17 01:52:36 JST 2017
Total : 4986 (4051) in this page
000600001.b3lyp_6-31g(d).inp

000600001.b3lyp_6-31g(d).qchem.inp (generated)

000600001.b3lyp_6-31g(d).gjf (generated)

000600001.b3lyp_6-31g(d).firefly.inp (generated)

000600001.b3lyp_6-31g(d).smash.inp (generated)

000600001.b3lyp_6-31g(d).nwchem.inp (generated) 000600001.b3lyp_6-31g(d).log.xz 000600001.td-b3lyp_6-31g+(d).inp 000600001.td-b3lyp_6-31g+(d).log.xz

000600001.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600001.td-b3lyp_6-31+g(d).gjf (generated)

000600001.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600001.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600001.mol 000600001.PUBCHEM 000600001.mol (via Jmol)
000600003.b3lyp_6-31g(d).inp

000600003.b3lyp_6-31g(d).qchem.inp (generated)

000600003.b3lyp_6-31g(d).gjf (generated)

000600003.b3lyp_6-31g(d).firefly.inp (generated)

000600003.b3lyp_6-31g(d).smash.inp (generated)

000600003.b3lyp_6-31g(d).nwchem.inp (generated) 000600003.b3lyp_6-31g(d).log.xz 000600003.td-b3lyp_6-31g+(d).inp 000600003.td-b3lyp_6-31g+(d).log.xz

000600003.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600003.td-b3lyp_6-31+g(d).gjf (generated)

000600003.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600003.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600003.mol 000600003.PUBCHEM 000600003.mol (via Jmol)
000600004.b3lyp_6-31g(d).inp

000600004.b3lyp_6-31g(d).qchem.inp (generated)

000600004.b3lyp_6-31g(d).gjf (generated)

000600004.b3lyp_6-31g(d).firefly.inp (generated)

000600004.b3lyp_6-31g(d).smash.inp (generated)

000600004.b3lyp_6-31g(d).nwchem.inp (generated) 000600004.b3lyp_6-31g(d).log.xz 000600004.td-b3lyp_6-31g+(d).inp 000600004.td-b3lyp_6-31g+(d).log.xz

000600004.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600004.td-b3lyp_6-31+g(d).gjf (generated)

000600004.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600004.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600004.mol 000600004.PUBCHEM 000600004.mol (via Jmol)
000600008.b3lyp_6-31g(d).inp

000600008.b3lyp_6-31g(d).qchem.inp (generated)

000600008.b3lyp_6-31g(d).gjf (generated)

000600008.b3lyp_6-31g(d).firefly.inp (generated)

000600008.b3lyp_6-31g(d).smash.inp (generated)

000600008.b3lyp_6-31g(d).nwchem.inp (generated) 000600008.b3lyp_6-31g(d).log.xz 000600008.td-b3lyp_6-31g+(d).inp 000600008.td-b3lyp_6-31g+(d).log.xz

000600008.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600008.td-b3lyp_6-31+g(d).gjf (generated)

000600008.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600008.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600008.mol 000600008.PUBCHEM 000600008.mol (via Jmol)
000600009.b3lyp_6-31g(d).inp

000600009.b3lyp_6-31g(d).qchem.inp (generated)

000600009.b3lyp_6-31g(d).gjf (generated)

000600009.b3lyp_6-31g(d).firefly.inp (generated)

000600009.b3lyp_6-31g(d).smash.inp (generated)

000600009.b3lyp_6-31g(d).nwchem.inp (generated) 000600009.b3lyp_6-31g(d).log.xz 000600009.td-b3lyp_6-31g+(d).inp 000600009.td-b3lyp_6-31g+(d).log.xz

000600009.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600009.td-b3lyp_6-31+g(d).gjf (generated)

000600009.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600009.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600009.mol 000600009.PUBCHEM 000600009.mol (via Jmol)
000600010.b3lyp_6-31g(d).inp

000600010.b3lyp_6-31g(d).qchem.inp (generated)

000600010.b3lyp_6-31g(d).gjf (generated)

000600010.b3lyp_6-31g(d).firefly.inp (generated)

000600010.b3lyp_6-31g(d).smash.inp (generated)

000600010.b3lyp_6-31g(d).nwchem.inp (generated) 000600010.b3lyp_6-31g(d).log.xz 000600010.td-b3lyp_6-31g+(d).inp 000600010.td-b3lyp_6-31g+(d).log.xz

000600010.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600010.td-b3lyp_6-31+g(d).gjf (generated)

000600010.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600010.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600010.mol 000600010.PUBCHEM 000600010.mol (via Jmol)
000600018.b3lyp_6-31g(d).inp

000600018.b3lyp_6-31g(d).qchem.inp (generated)

000600018.b3lyp_6-31g(d).gjf (generated)

000600018.b3lyp_6-31g(d).firefly.inp (generated)

000600018.b3lyp_6-31g(d).smash.inp (generated)

000600018.b3lyp_6-31g(d).nwchem.inp (generated) 000600018.b3lyp_6-31g(d).log.xz 000600018.td-b3lyp_6-31g+(d).inp 000600018.td-b3lyp_6-31g+(d).log.xz

000600018.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600018.td-b3lyp_6-31+g(d).gjf (generated)

000600018.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600018.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600018.mol 000600018.PUBCHEM 000600018.mol (via Jmol)
000600020.b3lyp_6-31g(d).inp

000600020.b3lyp_6-31g(d).qchem.inp (generated)

000600020.b3lyp_6-31g(d).gjf (generated)

000600020.b3lyp_6-31g(d).firefly.inp (generated)

000600020.b3lyp_6-31g(d).smash.inp (generated)

000600020.b3lyp_6-31g(d).nwchem.inp (generated) 000600020.b3lyp_6-31g(d).log.xz 000600020.td-b3lyp_6-31g+(d).inp 000600020.td-b3lyp_6-31g+(d).log.xz

000600020.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600020.td-b3lyp_6-31+g(d).gjf (generated)

000600020.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600020.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600020.mol 000600020.PUBCHEM 000600020.mol (via Jmol)
000600021.b3lyp_6-31g(d).inp

000600021.b3lyp_6-31g(d).qchem.inp (generated)

000600021.b3lyp_6-31g(d).gjf (generated)

000600021.b3lyp_6-31g(d).firefly.inp (generated)

000600021.b3lyp_6-31g(d).smash.inp (generated)

000600021.b3lyp_6-31g(d).nwchem.inp (generated) 000600021.b3lyp_6-31g(d).log.xz 000600021.td-b3lyp_6-31g+(d).inp 000600021.td-b3lyp_6-31g+(d).log.xz

000600021.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600021.td-b3lyp_6-31+g(d).gjf (generated)

000600021.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600021.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600021.mol 000600021.PUBCHEM 000600021.mol (via Jmol)
000600023.b3lyp_6-31g(d).inp

000600023.b3lyp_6-31g(d).qchem.inp (generated)

000600023.b3lyp_6-31g(d).gjf (generated)

000600023.b3lyp_6-31g(d).firefly.inp (generated)

000600023.b3lyp_6-31g(d).smash.inp (generated)

000600023.b3lyp_6-31g(d).nwchem.inp (generated) 000600023.b3lyp_6-31g(d).log.xz 000600023.td-b3lyp_6-31g+(d).inp 000600023.td-b3lyp_6-31g+(d).log.xz

000600023.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600023.td-b3lyp_6-31+g(d).gjf (generated)

000600023.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600023.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600023.mol 000600023.PUBCHEM 000600023.mol (via Jmol)
000600024.b3lyp_6-31g(d).inp

000600024.b3lyp_6-31g(d).qchem.inp (generated)

000600024.b3lyp_6-31g(d).gjf (generated)

000600024.b3lyp_6-31g(d).firefly.inp (generated)

000600024.b3lyp_6-31g(d).smash.inp (generated)

000600024.b3lyp_6-31g(d).nwchem.inp (generated) 000600024.b3lyp_6-31g(d).log.xz 000600024.td-b3lyp_6-31g+(d).inp 000600024.td-b3lyp_6-31g+(d).log.xz

000600024.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600024.td-b3lyp_6-31+g(d).gjf (generated)

000600024.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600024.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600024.mol 000600024.PUBCHEM 000600024.mol (via Jmol)
000600027.b3lyp_6-31g(d).inp

000600027.b3lyp_6-31g(d).qchem.inp (generated)

000600027.b3lyp_6-31g(d).gjf (generated)

000600027.b3lyp_6-31g(d).firefly.inp (generated)

000600027.b3lyp_6-31g(d).smash.inp (generated)

000600027.b3lyp_6-31g(d).nwchem.inp (generated) 000600027.b3lyp_6-31g(d).log.xz 000600027.td-b3lyp_6-31g+(d).inp 000600027.td-b3lyp_6-31g+(d).log.xz

000600027.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600027.td-b3lyp_6-31+g(d).gjf (generated)

000600027.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600027.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600027.mol 000600027.PUBCHEM 000600027.mol (via Jmol)
000600028.b3lyp_6-31g(d).inp

000600028.b3lyp_6-31g(d).qchem.inp (generated)

000600028.b3lyp_6-31g(d).gjf (generated)

000600028.b3lyp_6-31g(d).firefly.inp (generated)

000600028.b3lyp_6-31g(d).smash.inp (generated)

000600028.b3lyp_6-31g(d).nwchem.inp (generated) 000600028.b3lyp_6-31g(d).log.xz 000600028.mol 000600028.PUBCHEM 000600028.mol (via Jmol)
000600035.b3lyp_6-31g(d).inp

000600035.b3lyp_6-31g(d).qchem.inp (generated)

000600035.b3lyp_6-31g(d).gjf (generated)

000600035.b3lyp_6-31g(d).firefly.inp (generated)

000600035.b3lyp_6-31g(d).smash.inp (generated)

000600035.b3lyp_6-31g(d).nwchem.inp (generated) 000600035.b3lyp_6-31g(d).log.xz 000600035.td-b3lyp_6-31g+(d).inp 000600035.td-b3lyp_6-31g+(d).log.xz

000600035.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600035.td-b3lyp_6-31+g(d).gjf (generated)

000600035.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600035.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600035.mol 000600035.PUBCHEM 000600035.mol (via Jmol)
000600036.b3lyp_6-31g(d).inp

000600036.b3lyp_6-31g(d).qchem.inp (generated)

000600036.b3lyp_6-31g(d).gjf (generated)

000600036.b3lyp_6-31g(d).firefly.inp (generated)

000600036.b3lyp_6-31g(d).smash.inp (generated)

000600036.b3lyp_6-31g(d).nwchem.inp (generated) 000600036.b3lyp_6-31g(d).log.xz 000600036.td-b3lyp_6-31g+(d).inp 000600036.td-b3lyp_6-31g+(d).log.xz

000600036.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600036.td-b3lyp_6-31+g(d).gjf (generated)

000600036.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600036.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600036.mol 000600036.PUBCHEM 000600036.mol (via Jmol)
000600040.b3lyp_6-31g(d).inp

000600040.b3lyp_6-31g(d).qchem.inp (generated)

000600040.b3lyp_6-31g(d).gjf (generated)

000600040.b3lyp_6-31g(d).firefly.inp (generated)

000600040.b3lyp_6-31g(d).smash.inp (generated)

000600040.b3lyp_6-31g(d).nwchem.inp (generated) 000600040.b3lyp_6-31g(d).log.xz 000600040.td-b3lyp_6-31g+(d).inp 000600040.td-b3lyp_6-31g+(d).log.xz

000600040.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600040.td-b3lyp_6-31+g(d).gjf (generated)

000600040.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600040.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600040.mol 000600040.PUBCHEM 000600040.mol (via Jmol)
000600041.b3lyp_6-31g(d).inp

000600041.b3lyp_6-31g(d).qchem.inp (generated)

000600041.b3lyp_6-31g(d).gjf (generated)

000600041.b3lyp_6-31g(d).firefly.inp (generated)

000600041.b3lyp_6-31g(d).smash.inp (generated)

000600041.b3lyp_6-31g(d).nwchem.inp (generated) 000600041.b3lyp_6-31g(d).log.xz 000600041.td-b3lyp_6-31g+(d).inp 000600041.td-b3lyp_6-31g+(d).log.xz

000600041.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600041.td-b3lyp_6-31+g(d).gjf (generated)

000600041.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600041.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600041.mol 000600041.PUBCHEM 000600041.mol (via Jmol)
000600042.b3lyp_6-31g(d).inp

000600042.b3lyp_6-31g(d).qchem.inp (generated)

000600042.b3lyp_6-31g(d).gjf (generated)

000600042.b3lyp_6-31g(d).firefly.inp (generated)

000600042.b3lyp_6-31g(d).smash.inp (generated)

000600042.b3lyp_6-31g(d).nwchem.inp (generated) 000600042.b3lyp_6-31g(d).log.xz 000600042.td-b3lyp_6-31g+(d).inp 000600042.td-b3lyp_6-31g+(d).log.xz

000600042.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600042.td-b3lyp_6-31+g(d).gjf (generated)

000600042.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600042.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600042.mol 000600042.PUBCHEM 000600042.mol (via Jmol)
000600044.b3lyp_6-31g(d).inp

000600044.b3lyp_6-31g(d).qchem.inp (generated)

000600044.b3lyp_6-31g(d).gjf (generated)

000600044.b3lyp_6-31g(d).firefly.inp (generated)

000600044.b3lyp_6-31g(d).smash.inp (generated)

000600044.b3lyp_6-31g(d).nwchem.inp (generated) 000600044.b3lyp_6-31g(d).log.xz 000600044.td-b3lyp_6-31g+(d).inp 000600044.td-b3lyp_6-31g+(d).log.xz

000600044.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600044.td-b3lyp_6-31+g(d).gjf (generated)

000600044.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600044.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600044.mol 000600044.PUBCHEM 000600044.mol (via Jmol)
000600045.b3lyp_6-31g(d).inp

000600045.b3lyp_6-31g(d).qchem.inp (generated)

000600045.b3lyp_6-31g(d).gjf (generated)

000600045.b3lyp_6-31g(d).firefly.inp (generated)

000600045.b3lyp_6-31g(d).smash.inp (generated)

000600045.b3lyp_6-31g(d).nwchem.inp (generated) 000600045.b3lyp_6-31g(d).log.xz 000600045.mol 000600045.PUBCHEM 000600045.mol (via Jmol)
000600046.b3lyp_6-31g(d).inp

000600046.b3lyp_6-31g(d).qchem.inp (generated)

000600046.b3lyp_6-31g(d).gjf (generated)

000600046.b3lyp_6-31g(d).firefly.inp (generated)

000600046.b3lyp_6-31g(d).smash.inp (generated)

000600046.b3lyp_6-31g(d).nwchem.inp (generated) 000600046.b3lyp_6-31g(d).log.xz 000600046.td-b3lyp_6-31g+(d).inp 000600046.td-b3lyp_6-31g+(d).log.xz

000600046.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600046.td-b3lyp_6-31+g(d).gjf (generated)

000600046.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600046.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600046.mol 000600046.PUBCHEM 000600046.mol (via Jmol)
000600047.b3lyp_6-31g(d).inp

000600047.b3lyp_6-31g(d).qchem.inp (generated)

000600047.b3lyp_6-31g(d).gjf (generated)

000600047.b3lyp_6-31g(d).firefly.inp (generated)

000600047.b3lyp_6-31g(d).smash.inp (generated)

000600047.b3lyp_6-31g(d).nwchem.inp (generated) 000600047.b3lyp_6-31g(d).log.xz 000600047.td-b3lyp_6-31g+(d).inp 000600047.td-b3lyp_6-31g+(d).log.xz

000600047.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600047.td-b3lyp_6-31+g(d).gjf (generated)

000600047.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600047.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600047.mol 000600047.PUBCHEM 000600047.mol (via Jmol)
000600056.b3lyp_6-31g(d).inp

000600056.b3lyp_6-31g(d).qchem.inp (generated)

000600056.b3lyp_6-31g(d).gjf (generated)

000600056.b3lyp_6-31g(d).firefly.inp (generated)

000600056.b3lyp_6-31g(d).smash.inp (generated)

000600056.b3lyp_6-31g(d).nwchem.inp (generated) 000600056.b3lyp_6-31g(d).log.xz 000600056.td-b3lyp_6-31g+(d).inp 000600056.td-b3lyp_6-31g+(d).log.xz

000600056.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600056.td-b3lyp_6-31+g(d).gjf (generated)

000600056.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600056.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600056.mol 000600056.PUBCHEM 000600056.mol (via Jmol)
000600057.b3lyp_6-31g(d).inp

000600057.b3lyp_6-31g(d).qchem.inp (generated)

000600057.b3lyp_6-31g(d).gjf (generated)

000600057.b3lyp_6-31g(d).firefly.inp (generated)

000600057.b3lyp_6-31g(d).smash.inp (generated)

000600057.b3lyp_6-31g(d).nwchem.inp (generated) 000600057.b3lyp_6-31g(d).log.xz 000600057.td-b3lyp_6-31g+(d).inp 000600057.td-b3lyp_6-31g+(d).log.xz

000600057.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600057.td-b3lyp_6-31+g(d).gjf (generated)

000600057.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600057.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600057.mol 000600057.PUBCHEM 000600057.mol (via Jmol)
000600059.b3lyp_6-31g(d).inp

000600059.b3lyp_6-31g(d).qchem.inp (generated)

000600059.b3lyp_6-31g(d).gjf (generated)

000600059.b3lyp_6-31g(d).firefly.inp (generated)

000600059.b3lyp_6-31g(d).smash.inp (generated)

000600059.b3lyp_6-31g(d).nwchem.inp (generated) 000600059.b3lyp_6-31g(d).log.xz 000600059.td-b3lyp_6-31g+(d).inp 000600059.td-b3lyp_6-31g+(d).log.xz

000600059.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600059.td-b3lyp_6-31+g(d).gjf (generated)

000600059.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600059.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600059.mol 000600059.PUBCHEM 000600059.mol (via Jmol)
000600060.b3lyp_6-31g(d).inp

000600060.b3lyp_6-31g(d).qchem.inp (generated)

000600060.b3lyp_6-31g(d).gjf (generated)

000600060.b3lyp_6-31g(d).firefly.inp (generated)

000600060.b3lyp_6-31g(d).smash.inp (generated)

000600060.b3lyp_6-31g(d).nwchem.inp (generated) 000600060.b3lyp_6-31g(d).log.xz 000600060.td-b3lyp_6-31g+(d).inp 000600060.td-b3lyp_6-31g+(d).log.xz

000600060.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600060.td-b3lyp_6-31+g(d).gjf (generated)

000600060.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600060.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600060.mol 000600060.PUBCHEM 000600060.mol (via Jmol)
000600061.b3lyp_6-31g(d).inp

000600061.b3lyp_6-31g(d).qchem.inp (generated)

000600061.b3lyp_6-31g(d).gjf (generated)

000600061.b3lyp_6-31g(d).firefly.inp (generated)

000600061.b3lyp_6-31g(d).smash.inp (generated)

000600061.b3lyp_6-31g(d).nwchem.inp (generated) 000600061.b3lyp_6-31g(d).log.xz 000600061.td-b3lyp_6-31g+(d).inp 000600061.td-b3lyp_6-31g+(d).log.xz

000600061.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600061.td-b3lyp_6-31+g(d).gjf (generated)

000600061.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600061.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600061.mol 000600061.PUBCHEM 000600061.mol (via Jmol)
000600062.b3lyp_6-31g(d).inp

000600062.b3lyp_6-31g(d).qchem.inp (generated)

000600062.b3lyp_6-31g(d).gjf (generated)

000600062.b3lyp_6-31g(d).firefly.inp (generated)

000600062.b3lyp_6-31g(d).smash.inp (generated)

000600062.b3lyp_6-31g(d).nwchem.inp (generated) 000600062.b3lyp_6-31g(d).log.xz 000600062.td-b3lyp_6-31g+(d).inp 000600062.td-b3lyp_6-31g+(d).log.xz

000600062.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600062.td-b3lyp_6-31+g(d).gjf (generated)

000600062.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600062.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600062.mol 000600062.PUBCHEM 000600062.mol (via Jmol)
000600065.b3lyp_6-31g(d).inp

000600065.b3lyp_6-31g(d).qchem.inp (generated)

000600065.b3lyp_6-31g(d).gjf (generated)

000600065.b3lyp_6-31g(d).firefly.inp (generated)

000600065.b3lyp_6-31g(d).smash.inp (generated)

000600065.b3lyp_6-31g(d).nwchem.inp (generated) 000600065.b3lyp_6-31g(d).log.xz 000600065.td-b3lyp_6-31g+(d).inp 000600065.td-b3lyp_6-31g+(d).log.xz

000600065.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600065.td-b3lyp_6-31+g(d).gjf (generated)

000600065.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600065.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600065.mol 000600065.PUBCHEM 000600065.mol (via Jmol)
000600070.b3lyp_6-31g(d).inp

000600070.b3lyp_6-31g(d).qchem.inp (generated)

000600070.b3lyp_6-31g(d).gjf (generated)

000600070.b3lyp_6-31g(d).firefly.inp (generated)

000600070.b3lyp_6-31g(d).smash.inp (generated)

000600070.b3lyp_6-31g(d).nwchem.inp (generated) 000600070.b3lyp_6-31g(d).log.xz 000600070.td-b3lyp_6-31g+(d).inp 000600070.td-b3lyp_6-31g+(d).log.xz

000600070.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600070.td-b3lyp_6-31+g(d).gjf (generated)

000600070.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600070.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600070.mol 000600070.PUBCHEM 000600070.mol (via Jmol)
000600071.b3lyp_6-31g(d).inp

000600071.b3lyp_6-31g(d).qchem.inp (generated)

000600071.b3lyp_6-31g(d).gjf (generated)

000600071.b3lyp_6-31g(d).firefly.inp (generated)

000600071.b3lyp_6-31g(d).smash.inp (generated)

000600071.b3lyp_6-31g(d).nwchem.inp (generated) 000600071.b3lyp_6-31g(d).log.xz 000600071.td-b3lyp_6-31g+(d).inp 000600071.td-b3lyp_6-31g+(d).log.xz

000600071.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600071.td-b3lyp_6-31+g(d).gjf (generated)

000600071.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600071.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600071.mol 000600071.PUBCHEM 000600071.mol (via Jmol)
000600072.b3lyp_6-31g(d).inp

000600072.b3lyp_6-31g(d).qchem.inp (generated)

000600072.b3lyp_6-31g(d).gjf (generated)

000600072.b3lyp_6-31g(d).firefly.inp (generated)

000600072.b3lyp_6-31g(d).smash.inp (generated)

000600072.b3lyp_6-31g(d).nwchem.inp (generated) 000600072.b3lyp_6-31g(d).log.xz 000600072.td-b3lyp_6-31g+(d).inp 000600072.td-b3lyp_6-31g+(d).log.xz

000600072.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600072.td-b3lyp_6-31+g(d).gjf (generated)

000600072.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600072.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600072.mol 000600072.PUBCHEM 000600072.mol (via Jmol)
000600074.b3lyp_6-31g(d).inp

000600074.b3lyp_6-31g(d).qchem.inp (generated)

000600074.b3lyp_6-31g(d).gjf (generated)

000600074.b3lyp_6-31g(d).firefly.inp (generated)

000600074.b3lyp_6-31g(d).smash.inp (generated)

000600074.b3lyp_6-31g(d).nwchem.inp (generated) 000600074.b3lyp_6-31g(d).log.xz 000600074.td-b3lyp_6-31g+(d).inp 000600074.td-b3lyp_6-31g+(d).log.xz

000600074.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600074.td-b3lyp_6-31+g(d).gjf (generated)

000600074.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600074.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600074.mol 000600074.PUBCHEM 000600074.mol (via Jmol)
000600075.b3lyp_6-31g(d).inp

000600075.b3lyp_6-31g(d).qchem.inp (generated)

000600075.b3lyp_6-31g(d).gjf (generated)

000600075.b3lyp_6-31g(d).firefly.inp (generated)

000600075.b3lyp_6-31g(d).smash.inp (generated)

000600075.b3lyp_6-31g(d).nwchem.inp (generated) 000600075.b3lyp_6-31g(d).log.xz 000600075.td-b3lyp_6-31g+(d).inp 000600075.td-b3lyp_6-31g+(d).log.xz

000600075.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600075.td-b3lyp_6-31+g(d).gjf (generated)

000600075.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600075.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600075.mol 000600075.PUBCHEM 000600075.mol (via Jmol)
000600079.b3lyp_6-31g(d).inp

000600079.b3lyp_6-31g(d).qchem.inp (generated)

000600079.b3lyp_6-31g(d).gjf (generated)

000600079.b3lyp_6-31g(d).firefly.inp (generated)

000600079.b3lyp_6-31g(d).smash.inp (generated)

000600079.b3lyp_6-31g(d).nwchem.inp (generated) 000600079.b3lyp_6-31g(d).log.xz 000600079.td-b3lyp_6-31g+(d).inp 000600079.td-b3lyp_6-31g+(d).log.xz

000600079.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600079.td-b3lyp_6-31+g(d).gjf (generated)

000600079.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600079.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600079.mol 000600079.PUBCHEM 000600079.mol (via Jmol)
000600080.b3lyp_6-31g(d).inp

000600080.b3lyp_6-31g(d).qchem.inp (generated)

000600080.b3lyp_6-31g(d).gjf (generated)

000600080.b3lyp_6-31g(d).firefly.inp (generated)

000600080.b3lyp_6-31g(d).smash.inp (generated)

000600080.b3lyp_6-31g(d).nwchem.inp (generated) 000600080.b3lyp_6-31g(d).log.xz 000600080.td-b3lyp_6-31g+(d).inp 000600080.td-b3lyp_6-31g+(d).log.xz

000600080.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600080.td-b3lyp_6-31+g(d).gjf (generated)

000600080.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600080.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600080.mol 000600080.PUBCHEM 000600080.mol (via Jmol)
000600085.b3lyp_6-31g(d).inp

000600085.b3lyp_6-31g(d).qchem.inp (generated)

000600085.b3lyp_6-31g(d).gjf (generated)

000600085.b3lyp_6-31g(d).firefly.inp (generated)

000600085.b3lyp_6-31g(d).smash.inp (generated)

000600085.b3lyp_6-31g(d).nwchem.inp (generated) 000600085.b3lyp_6-31g(d).log.xz 000600085.mol 000600085.PUBCHEM 000600085.mol (via Jmol)
000600090.b3lyp_6-31g(d).inp

000600090.b3lyp_6-31g(d).qchem.inp (generated)

000600090.b3lyp_6-31g(d).gjf (generated)

000600090.b3lyp_6-31g(d).firefly.inp (generated)

000600090.b3lyp_6-31g(d).smash.inp (generated)

000600090.b3lyp_6-31g(d).nwchem.inp (generated) 000600090.b3lyp_6-31g(d).log.xz 000600090.td-b3lyp_6-31g+(d).inp 000600090.td-b3lyp_6-31g+(d).log.xz

000600090.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600090.td-b3lyp_6-31+g(d).gjf (generated)

000600090.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600090.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600090.mol 000600090.PUBCHEM 000600090.mol (via Jmol)
000600124.b3lyp_6-31g(d).inp

000600124.b3lyp_6-31g(d).qchem.inp (generated)

000600124.b3lyp_6-31g(d).gjf (generated)

000600124.b3lyp_6-31g(d).firefly.inp (generated)

000600124.b3lyp_6-31g(d).smash.inp (generated)

000600124.b3lyp_6-31g(d).nwchem.inp (generated) 000600124.b3lyp_6-31g(d).log.xz 000600124.td-b3lyp_6-31g+(d).inp 000600124.td-b3lyp_6-31g+(d).log.xz

000600124.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600124.td-b3lyp_6-31+g(d).gjf (generated)

000600124.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600124.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600124.mol 000600124.PUBCHEM 000600124.mol (via Jmol)
000600145.b3lyp_6-31g(d).inp

000600145.b3lyp_6-31g(d).qchem.inp (generated)

000600145.b3lyp_6-31g(d).gjf (generated)

000600145.b3lyp_6-31g(d).firefly.inp (generated)

000600145.b3lyp_6-31g(d).smash.inp (generated)

000600145.b3lyp_6-31g(d).nwchem.inp (generated) 000600145.b3lyp_6-31g(d).log.xz 000600145.td-b3lyp_6-31g+(d).inp 000600145.td-b3lyp_6-31g+(d).log.xz

000600145.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600145.td-b3lyp_6-31+g(d).gjf (generated)

000600145.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600145.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600145.mol 000600145.PUBCHEM 000600145.mol (via Jmol)
000600146.b3lyp_6-31g(d).inp

000600146.b3lyp_6-31g(d).qchem.inp (generated)

000600146.b3lyp_6-31g(d).gjf (generated)

000600146.b3lyp_6-31g(d).firefly.inp (generated)

000600146.b3lyp_6-31g(d).smash.inp (generated)

000600146.b3lyp_6-31g(d).nwchem.inp (generated) 000600146.b3lyp_6-31g(d).log.xz 000600146.td-b3lyp_6-31g+(d).inp 000600146.td-b3lyp_6-31g+(d).log.xz

000600146.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600146.td-b3lyp_6-31+g(d).gjf (generated)

000600146.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600146.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600146.mol 000600146.PUBCHEM 000600146.mol (via Jmol)
000600147.b3lyp_6-31g(d).inp

000600147.b3lyp_6-31g(d).qchem.inp (generated)

000600147.b3lyp_6-31g(d).gjf (generated)

000600147.b3lyp_6-31g(d).firefly.inp (generated)

000600147.b3lyp_6-31g(d).smash.inp (generated)

000600147.b3lyp_6-31g(d).nwchem.inp (generated) 000600147.b3lyp_6-31g(d).log.xz 000600147.td-b3lyp_6-31g+(d).inp 000600147.td-b3lyp_6-31g+(d).log.xz

000600147.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600147.td-b3lyp_6-31+g(d).gjf (generated)

000600147.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600147.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600147.mol 000600147.PUBCHEM 000600147.mol (via Jmol)
000600151.b3lyp_6-31g(d).inp

000600151.b3lyp_6-31g(d).qchem.inp (generated)

000600151.b3lyp_6-31g(d).gjf (generated)

000600151.b3lyp_6-31g(d).firefly.inp (generated)

000600151.b3lyp_6-31g(d).smash.inp (generated)

000600151.b3lyp_6-31g(d).nwchem.inp (generated) 000600151.b3lyp_6-31g(d).log.xz 000600151.td-b3lyp_6-31g+(d).inp 000600151.td-b3lyp_6-31g+(d).log.xz

000600151.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600151.td-b3lyp_6-31+g(d).gjf (generated)

000600151.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600151.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600151.mol 000600151.PUBCHEM 000600151.mol (via Jmol)
000600152.b3lyp_6-31g(d).inp

000600152.b3lyp_6-31g(d).qchem.inp (generated)

000600152.b3lyp_6-31g(d).gjf (generated)

000600152.b3lyp_6-31g(d).firefly.inp (generated)

000600152.b3lyp_6-31g(d).smash.inp (generated)

000600152.b3lyp_6-31g(d).nwchem.inp (generated) 000600152.b3lyp_6-31g(d).log.xz 000600152.td-b3lyp_6-31g+(d).inp 000600152.td-b3lyp_6-31g+(d).log.xz

000600152.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600152.td-b3lyp_6-31+g(d).gjf (generated)

000600152.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600152.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600152.mol 000600152.PUBCHEM 000600152.mol (via Jmol)
000600155.b3lyp_6-31g(d).inp

000600155.b3lyp_6-31g(d).qchem.inp (generated)

000600155.b3lyp_6-31g(d).gjf (generated)

000600155.b3lyp_6-31g(d).firefly.inp (generated)

000600155.b3lyp_6-31g(d).smash.inp (generated)

000600155.b3lyp_6-31g(d).nwchem.inp (generated) 000600155.b3lyp_6-31g(d).log.xz 000600155.mol 000600155.PUBCHEM 000600155.mol (via Jmol)
000600157.b3lyp_6-31g(d).inp

000600157.b3lyp_6-31g(d).qchem.inp (generated)

000600157.b3lyp_6-31g(d).gjf (generated)

000600157.b3lyp_6-31g(d).firefly.inp (generated)

000600157.b3lyp_6-31g(d).smash.inp (generated)

000600157.b3lyp_6-31g(d).nwchem.inp (generated) 000600157.b3lyp_6-31g(d).log.xz 000600157.td-b3lyp_6-31g+(d).inp 000600157.td-b3lyp_6-31g+(d).log.xz

000600157.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600157.td-b3lyp_6-31+g(d).gjf (generated)

000600157.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600157.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600157.mol 000600157.PUBCHEM 000600157.mol (via Jmol)
000600158.b3lyp_6-31g(d).inp

000600158.b3lyp_6-31g(d).qchem.inp (generated)

000600158.b3lyp_6-31g(d).gjf (generated)

000600158.b3lyp_6-31g(d).firefly.inp (generated)

000600158.b3lyp_6-31g(d).smash.inp (generated)

000600158.b3lyp_6-31g(d).nwchem.inp (generated) 000600158.b3lyp_6-31g(d).log.xz 000600158.td-b3lyp_6-31g+(d).inp 000600158.td-b3lyp_6-31g+(d).log.xz

000600158.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600158.td-b3lyp_6-31+g(d).gjf (generated)

000600158.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600158.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600158.mol 000600158.PUBCHEM 000600158.mol (via Jmol)
000600159.b3lyp_6-31g(d).inp

000600159.b3lyp_6-31g(d).qchem.inp (generated)

000600159.b3lyp_6-31g(d).gjf (generated)

000600159.b3lyp_6-31g(d).firefly.inp (generated)

000600159.b3lyp_6-31g(d).smash.inp (generated)

000600159.b3lyp_6-31g(d).nwchem.inp (generated) 000600159.b3lyp_6-31g(d).log.xz 000600159.td-b3lyp_6-31g+(d).inp 000600159.td-b3lyp_6-31g+(d).log.xz

000600159.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600159.td-b3lyp_6-31+g(d).gjf (generated)

000600159.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600159.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600159.mol 000600159.PUBCHEM 000600159.mol (via Jmol)
000600162.b3lyp_6-31g(d).inp

000600162.b3lyp_6-31g(d).qchem.inp (generated)

000600162.b3lyp_6-31g(d).gjf (generated)

000600162.b3lyp_6-31g(d).firefly.inp (generated)

000600162.b3lyp_6-31g(d).smash.inp (generated)

000600162.b3lyp_6-31g(d).nwchem.inp (generated) 000600162.b3lyp_6-31g(d).log.xz 000600162.mol 000600162.PUBCHEM 000600162.mol (via Jmol)
000600167.b3lyp_6-31g(d).inp

000600167.b3lyp_6-31g(d).qchem.inp (generated)

000600167.b3lyp_6-31g(d).gjf (generated)

000600167.b3lyp_6-31g(d).firefly.inp (generated)

000600167.b3lyp_6-31g(d).smash.inp (generated)

000600167.b3lyp_6-31g(d).nwchem.inp (generated) 000600167.b3lyp_6-31g(d).log.xz 000600167.td-b3lyp_6-31g+(d).inp 000600167.td-b3lyp_6-31g+(d).log.xz

000600167.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600167.td-b3lyp_6-31+g(d).gjf (generated)

000600167.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600167.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600167.mol 000600167.PUBCHEM 000600167.mol (via Jmol)
000600183.b3lyp_6-31g(d).inp

000600183.b3lyp_6-31g(d).qchem.inp (generated)

000600183.b3lyp_6-31g(d).gjf (generated)

000600183.b3lyp_6-31g(d).firefly.inp (generated)

000600183.b3lyp_6-31g(d).smash.inp (generated)

000600183.b3lyp_6-31g(d).nwchem.inp (generated) 000600183.b3lyp_6-31g(d).log.xz 000600183.td-b3lyp_6-31g+(d).inp 000600183.td-b3lyp_6-31g+(d).log.xz

000600183.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600183.td-b3lyp_6-31+g(d).gjf (generated)

000600183.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600183.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600183.mol 000600183.PUBCHEM 000600183.mol (via Jmol)
000600190.b3lyp_6-31g(d).inp

000600190.b3lyp_6-31g(d).qchem.inp (generated)

000600190.b3lyp_6-31g(d).gjf (generated)

000600190.b3lyp_6-31g(d).firefly.inp (generated)

000600190.b3lyp_6-31g(d).smash.inp (generated)

000600190.b3lyp_6-31g(d).nwchem.inp (generated) 000600190.b3lyp_6-31g(d).log.xz 000600190.td-b3lyp_6-31g+(d).inp 000600190.td-b3lyp_6-31g+(d).log.xz

000600190.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600190.td-b3lyp_6-31+g(d).gjf (generated)

000600190.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600190.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600190.mol 000600190.PUBCHEM 000600190.mol (via Jmol)
000600200.b3lyp_6-31g(d).inp

000600200.b3lyp_6-31g(d).qchem.inp (generated)

000600200.b3lyp_6-31g(d).gjf (generated)

000600200.b3lyp_6-31g(d).firefly.inp (generated)

000600200.b3lyp_6-31g(d).smash.inp (generated)

000600200.b3lyp_6-31g(d).nwchem.inp (generated) 000600200.b3lyp_6-31g(d).log.xz 000600200.td-b3lyp_6-31g+(d).inp 000600200.td-b3lyp_6-31g+(d).log.xz

000600200.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600200.td-b3lyp_6-31+g(d).gjf (generated)

000600200.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600200.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600200.mol 000600200.PUBCHEM 000600200.mol (via Jmol)
000600202.b3lyp_6-31g(d).inp

000600202.b3lyp_6-31g(d).qchem.inp (generated)

000600202.b3lyp_6-31g(d).gjf (generated)

000600202.b3lyp_6-31g(d).firefly.inp (generated)

000600202.b3lyp_6-31g(d).smash.inp (generated)

000600202.b3lyp_6-31g(d).nwchem.inp (generated) 000600202.b3lyp_6-31g(d).log.xz 000600202.td-b3lyp_6-31g+(d).inp 000600202.td-b3lyp_6-31g+(d).log.xz

000600202.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600202.td-b3lyp_6-31+g(d).gjf (generated)

000600202.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600202.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600202.mol 000600202.PUBCHEM 000600202.mol (via Jmol)
000600203.b3lyp_6-31g(d).inp

000600203.b3lyp_6-31g(d).qchem.inp (generated)

000600203.b3lyp_6-31g(d).gjf (generated)

000600203.b3lyp_6-31g(d).firefly.inp (generated)

000600203.b3lyp_6-31g(d).smash.inp (generated)

000600203.b3lyp_6-31g(d).nwchem.inp (generated) 000600203.b3lyp_6-31g(d).log.xz 000600203.td-b3lyp_6-31g+(d).inp 000600203.td-b3lyp_6-31g+(d).log.xz

000600203.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600203.td-b3lyp_6-31+g(d).gjf (generated)

000600203.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600203.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600203.mol 000600203.PUBCHEM 000600203.mol (via Jmol)
000600205.b3lyp_6-31g(d).inp

000600205.b3lyp_6-31g(d).qchem.inp (generated)

000600205.b3lyp_6-31g(d).gjf (generated)

000600205.b3lyp_6-31g(d).firefly.inp (generated)

000600205.b3lyp_6-31g(d).smash.inp (generated)

000600205.b3lyp_6-31g(d).nwchem.inp (generated) 000600205.b3lyp_6-31g(d).log.xz 000600205.td-b3lyp_6-31g+(d).inp 000600205.td-b3lyp_6-31g+(d).log.xz

000600205.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600205.td-b3lyp_6-31+g(d).gjf (generated)

000600205.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600205.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600205.mol 000600205.PUBCHEM 000600205.mol (via Jmol)
000600210.b3lyp_6-31g(d).inp

000600210.b3lyp_6-31g(d).qchem.inp (generated)

000600210.b3lyp_6-31g(d).gjf (generated)

000600210.b3lyp_6-31g(d).firefly.inp (generated)

000600210.b3lyp_6-31g(d).smash.inp (generated)

000600210.b3lyp_6-31g(d).nwchem.inp (generated) 000600210.b3lyp_6-31g(d).log.xz 000600210.td-b3lyp_6-31g+(d).inp 000600210.td-b3lyp_6-31g+(d).log.xz

000600210.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600210.td-b3lyp_6-31+g(d).gjf (generated)

000600210.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600210.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600210.mol 000600210.PUBCHEM 000600210.mol (via Jmol)
000600211.b3lyp_6-31g(d).inp

000600211.b3lyp_6-31g(d).qchem.inp (generated)

000600211.b3lyp_6-31g(d).gjf (generated)

000600211.b3lyp_6-31g(d).firefly.inp (generated)

000600211.b3lyp_6-31g(d).smash.inp (generated)

000600211.b3lyp_6-31g(d).nwchem.inp (generated) 000600211.b3lyp_6-31g(d).log.xz 000600211.td-b3lyp_6-31g+(d).inp 000600211.td-b3lyp_6-31g+(d).log.xz

000600211.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600211.td-b3lyp_6-31+g(d).gjf (generated)

000600211.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600211.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600211.mol 000600211.PUBCHEM 000600211.mol (via Jmol)
000600215.b3lyp_6-31g(d).inp

000600215.b3lyp_6-31g(d).qchem.inp (generated)

000600215.b3lyp_6-31g(d).gjf (generated)

000600215.b3lyp_6-31g(d).firefly.inp (generated)

000600215.b3lyp_6-31g(d).smash.inp (generated)

000600215.b3lyp_6-31g(d).nwchem.inp (generated) 000600215.b3lyp_6-31g(d).log.xz 000600215.td-b3lyp_6-31g+(d).inp 000600215.td-b3lyp_6-31g+(d).log.xz

000600215.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600215.td-b3lyp_6-31+g(d).gjf (generated)

000600215.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600215.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600215.mol 000600215.PUBCHEM 000600215.mol (via Jmol)
000600218.b3lyp_6-31g(d).inp

000600218.b3lyp_6-31g(d).qchem.inp (generated)

000600218.b3lyp_6-31g(d).gjf (generated)

000600218.b3lyp_6-31g(d).firefly.inp (generated)

000600218.b3lyp_6-31g(d).smash.inp (generated)

000600218.b3lyp_6-31g(d).nwchem.inp (generated) 000600218.b3lyp_6-31g(d).log.xz 000600218.td-b3lyp_6-31g+(d).inp 000600218.td-b3lyp_6-31g+(d).log.xz

000600218.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600218.td-b3lyp_6-31+g(d).gjf (generated)

000600218.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600218.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600218.mol 000600218.PUBCHEM 000600218.mol (via Jmol)
000600219.b3lyp_6-31g(d).inp

000600219.b3lyp_6-31g(d).qchem.inp (generated)

000600219.b3lyp_6-31g(d).gjf (generated)

000600219.b3lyp_6-31g(d).firefly.inp (generated)

000600219.b3lyp_6-31g(d).smash.inp (generated)

000600219.b3lyp_6-31g(d).nwchem.inp (generated) 000600219.b3lyp_6-31g(d).log.xz 000600219.mol 000600219.PUBCHEM 000600219.mol (via Jmol)
000600223.b3lyp_6-31g(d).inp

000600223.b3lyp_6-31g(d).qchem.inp (generated)

000600223.b3lyp_6-31g(d).gjf (generated)

000600223.b3lyp_6-31g(d).firefly.inp (generated)

000600223.b3lyp_6-31g(d).smash.inp (generated)

000600223.b3lyp_6-31g(d).nwchem.inp (generated) 000600223.b3lyp_6-31g(d).log.xz 000600223.mol 000600223.PUBCHEM 000600223.mol (via Jmol)
000600224.b3lyp_6-31g(d).inp

000600224.b3lyp_6-31g(d).qchem.inp (generated)

000600224.b3lyp_6-31g(d).gjf (generated)

000600224.b3lyp_6-31g(d).firefly.inp (generated)

000600224.b3lyp_6-31g(d).smash.inp (generated)

000600224.b3lyp_6-31g(d).nwchem.inp (generated) 000600224.b3lyp_6-31g(d).log.xz 000600224.td-b3lyp_6-31g+(d).inp 000600224.td-b3lyp_6-31g+(d).log.xz

000600224.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600224.td-b3lyp_6-31+g(d).gjf (generated)

000600224.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600224.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600224.mol 000600224.PUBCHEM 000600224.mol (via Jmol)
000600225.b3lyp_6-31g(d).inp

000600225.b3lyp_6-31g(d).qchem.inp (generated)

000600225.b3lyp_6-31g(d).gjf (generated)

000600225.b3lyp_6-31g(d).firefly.inp (generated)

000600225.b3lyp_6-31g(d).smash.inp (generated)

000600225.b3lyp_6-31g(d).nwchem.inp (generated) 000600225.b3lyp_6-31g(d).log.xz 000600225.td-b3lyp_6-31g+(d).inp 000600225.td-b3lyp_6-31g+(d).log.xz

000600225.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600225.td-b3lyp_6-31+g(d).gjf (generated)

000600225.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600225.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600225.mol 000600225.PUBCHEM 000600225.mol (via Jmol)
000600228.b3lyp_6-31g(d).inp

000600228.b3lyp_6-31g(d).qchem.inp (generated)

000600228.b3lyp_6-31g(d).gjf (generated)

000600228.b3lyp_6-31g(d).firefly.inp (generated)

000600228.b3lyp_6-31g(d).smash.inp (generated)

000600228.b3lyp_6-31g(d).nwchem.inp (generated) 000600228.b3lyp_6-31g(d).log.xz 000600228.td-b3lyp_6-31g+(d).inp 000600228.td-b3lyp_6-31g+(d).log.xz

000600228.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600228.td-b3lyp_6-31+g(d).gjf (generated)

000600228.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600228.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600228.mol 000600228.PUBCHEM 000600228.mol (via Jmol)
000600231.b3lyp_6-31g(d).inp

000600231.b3lyp_6-31g(d).qchem.inp (generated)

000600231.b3lyp_6-31g(d).gjf (generated)

000600231.b3lyp_6-31g(d).firefly.inp (generated)

000600231.b3lyp_6-31g(d).smash.inp (generated)

000600231.b3lyp_6-31g(d).nwchem.inp (generated) 000600231.b3lyp_6-31g(d).log.xz 000600231.td-b3lyp_6-31g+(d).inp 000600231.td-b3lyp_6-31g+(d).log.xz

000600231.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600231.td-b3lyp_6-31+g(d).gjf (generated)

000600231.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600231.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600231.mol 000600231.PUBCHEM 000600231.mol (via Jmol)
000600232.b3lyp_6-31g(d).inp

000600232.b3lyp_6-31g(d).qchem.inp (generated)

000600232.b3lyp_6-31g(d).gjf (generated)

000600232.b3lyp_6-31g(d).firefly.inp (generated)

000600232.b3lyp_6-31g(d).smash.inp (generated)

000600232.b3lyp_6-31g(d).nwchem.inp (generated) 000600232.b3lyp_6-31g(d).log.xz 000600232.td-b3lyp_6-31g+(d).inp 000600232.td-b3lyp_6-31g+(d).log.xz

000600232.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600232.td-b3lyp_6-31+g(d).gjf (generated)

000600232.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600232.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600232.mol 000600232.PUBCHEM 000600232.mol (via Jmol)
000600244.b3lyp_6-31g(d).inp

000600244.b3lyp_6-31g(d).qchem.inp (generated)

000600244.b3lyp_6-31g(d).gjf (generated)

000600244.b3lyp_6-31g(d).firefly.inp (generated)

000600244.b3lyp_6-31g(d).smash.inp (generated)

000600244.b3lyp_6-31g(d).nwchem.inp (generated) 000600244.b3lyp_6-31g(d).log.xz 000600244.td-b3lyp_6-31g+(d).inp 000600244.td-b3lyp_6-31g+(d).log.xz

000600244.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600244.td-b3lyp_6-31+g(d).gjf (generated)

000600244.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600244.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600244.mol 000600244.PUBCHEM 000600244.mol (via Jmol)
000600245.b3lyp_6-31g(d).inp

000600245.b3lyp_6-31g(d).qchem.inp (generated)

000600245.b3lyp_6-31g(d).gjf (generated)

000600245.b3lyp_6-31g(d).firefly.inp (generated)

000600245.b3lyp_6-31g(d).smash.inp (generated)

000600245.b3lyp_6-31g(d).nwchem.inp (generated) 000600245.b3lyp_6-31g(d).log.xz 000600245.td-b3lyp_6-31g+(d).inp 000600245.td-b3lyp_6-31g+(d).log.xz

000600245.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600245.td-b3lyp_6-31+g(d).gjf (generated)

000600245.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600245.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600245.mol 000600245.PUBCHEM 000600245.mol (via Jmol)
000600246.b3lyp_6-31g(d).inp

000600246.b3lyp_6-31g(d).qchem.inp (generated)

000600246.b3lyp_6-31g(d).gjf (generated)

000600246.b3lyp_6-31g(d).firefly.inp (generated)

000600246.b3lyp_6-31g(d).smash.inp (generated)

000600246.b3lyp_6-31g(d).nwchem.inp (generated) 000600246.b3lyp_6-31g(d).log.xz 000600246.td-b3lyp_6-31g+(d).inp 000600246.td-b3lyp_6-31g+(d).log.xz

000600246.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600246.td-b3lyp_6-31+g(d).gjf (generated)

000600246.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600246.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600246.mol 000600246.PUBCHEM 000600246.mol (via Jmol)
000600250.b3lyp_6-31g(d).inp

000600250.b3lyp_6-31g(d).qchem.inp (generated)

000600250.b3lyp_6-31g(d).gjf (generated)

000600250.b3lyp_6-31g(d).firefly.inp (generated)

000600250.b3lyp_6-31g(d).smash.inp (generated)

000600250.b3lyp_6-31g(d).nwchem.inp (generated) 000600250.b3lyp_6-31g(d).log.xz 000600250.td-b3lyp_6-31g+(d).inp 000600250.td-b3lyp_6-31g+(d).log.xz

000600250.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600250.td-b3lyp_6-31+g(d).gjf (generated)

000600250.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600250.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600250.mol 000600250.PUBCHEM 000600250.mol (via Jmol)
000600251.b3lyp_6-31g(d).inp

000600251.b3lyp_6-31g(d).qchem.inp (generated)

000600251.b3lyp_6-31g(d).gjf (generated)

000600251.b3lyp_6-31g(d).firefly.inp (generated)

000600251.b3lyp_6-31g(d).smash.inp (generated)

000600251.b3lyp_6-31g(d).nwchem.inp (generated) 000600251.b3lyp_6-31g(d).log.xz 000600251.td-b3lyp_6-31g+(d).inp 000600251.td-b3lyp_6-31g+(d).log.xz

000600251.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600251.td-b3lyp_6-31+g(d).gjf (generated)

000600251.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600251.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600251.mol 000600251.PUBCHEM 000600251.mol (via Jmol)
000600255.b3lyp_6-31g(d).inp

000600255.b3lyp_6-31g(d).qchem.inp (generated)

000600255.b3lyp_6-31g(d).gjf (generated)

000600255.b3lyp_6-31g(d).firefly.inp (generated)

000600255.b3lyp_6-31g(d).smash.inp (generated)

000600255.b3lyp_6-31g(d).nwchem.inp (generated) 000600255.b3lyp_6-31g(d).log.xz 000600255.td-b3lyp_6-31g+(d).inp 000600255.td-b3lyp_6-31g+(d).log.xz

000600255.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600255.td-b3lyp_6-31+g(d).gjf (generated)

000600255.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600255.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600255.mol 000600255.PUBCHEM 000600255.mol (via Jmol)
000600256.b3lyp_6-31g(d).inp

000600256.b3lyp_6-31g(d).qchem.inp (generated)

000600256.b3lyp_6-31g(d).gjf (generated)

000600256.b3lyp_6-31g(d).firefly.inp (generated)

000600256.b3lyp_6-31g(d).smash.inp (generated)

000600256.b3lyp_6-31g(d).nwchem.inp (generated) 000600256.b3lyp_6-31g(d).log.xz 000600256.td-b3lyp_6-31g+(d).inp 000600256.td-b3lyp_6-31g+(d).log.xz

000600256.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600256.td-b3lyp_6-31+g(d).gjf (generated)

000600256.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600256.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600256.mol 000600256.PUBCHEM 000600256.mol (via Jmol)
000600257.b3lyp_6-31g(d).inp

000600257.b3lyp_6-31g(d).qchem.inp (generated)

000600257.b3lyp_6-31g(d).gjf (generated)

000600257.b3lyp_6-31g(d).firefly.inp (generated)

000600257.b3lyp_6-31g(d).smash.inp (generated)

000600257.b3lyp_6-31g(d).nwchem.inp (generated) 000600257.b3lyp_6-31g(d).log.xz 000600257.td-b3lyp_6-31g+(d).inp 000600257.td-b3lyp_6-31g+(d).log.xz

000600257.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600257.td-b3lyp_6-31+g(d).gjf (generated)

000600257.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600257.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600257.mol 000600257.PUBCHEM 000600257.mol (via Jmol)
000600258.b3lyp_6-31g(d).inp

000600258.b3lyp_6-31g(d).qchem.inp (generated)

000600258.b3lyp_6-31g(d).gjf (generated)

000600258.b3lyp_6-31g(d).firefly.inp (generated)

000600258.b3lyp_6-31g(d).smash.inp (generated)

000600258.b3lyp_6-31g(d).nwchem.inp (generated) 000600258.b3lyp_6-31g(d).log.xz 000600258.td-b3lyp_6-31g+(d).inp 000600258.td-b3lyp_6-31g+(d).log.xz

000600258.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600258.td-b3lyp_6-31+g(d).gjf (generated)

000600258.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600258.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600258.mol 000600258.PUBCHEM 000600258.mol (via Jmol)
000600260.b3lyp_6-31g(d).inp

000600260.b3lyp_6-31g(d).qchem.inp (generated)

000600260.b3lyp_6-31g(d).gjf (generated)

000600260.b3lyp_6-31g(d).firefly.inp (generated)

000600260.b3lyp_6-31g(d).smash.inp (generated)

000600260.b3lyp_6-31g(d).nwchem.inp (generated) 000600260.b3lyp_6-31g(d).log.xz 000600260.td-b3lyp_6-31g+(d).inp 000600260.td-b3lyp_6-31g+(d).log.xz

000600260.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600260.td-b3lyp_6-31+g(d).gjf (generated)

000600260.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600260.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600260.mol 000600260.PUBCHEM 000600260.mol (via Jmol)
000600261.b3lyp_6-31g(d).inp

000600261.b3lyp_6-31g(d).qchem.inp (generated)

000600261.b3lyp_6-31g(d).gjf (generated)

000600261.b3lyp_6-31g(d).firefly.inp (generated)

000600261.b3lyp_6-31g(d).smash.inp (generated)

000600261.b3lyp_6-31g(d).nwchem.inp (generated) 000600261.b3lyp_6-31g(d).log.xz 000600261.td-b3lyp_6-31g+(d).inp 000600261.td-b3lyp_6-31g+(d).log.xz

000600261.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600261.td-b3lyp_6-31+g(d).gjf (generated)

000600261.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600261.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600261.mol 000600261.PUBCHEM 000600261.mol (via Jmol)
000600264.b3lyp_6-31g(d).inp

000600264.b3lyp_6-31g(d).qchem.inp (generated)

000600264.b3lyp_6-31g(d).gjf (generated)

000600264.b3lyp_6-31g(d).firefly.inp (generated)

000600264.b3lyp_6-31g(d).smash.inp (generated)

000600264.b3lyp_6-31g(d).nwchem.inp (generated) 000600264.b3lyp_6-31g(d).log.xz 000600264.td-b3lyp_6-31g+(d).inp 000600264.td-b3lyp_6-31g+(d).log.xz

000600264.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600264.td-b3lyp_6-31+g(d).gjf (generated)

000600264.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600264.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600264.mol 000600264.PUBCHEM 000600264.mol (via Jmol)
000600266.b3lyp_6-31g(d).inp

000600266.b3lyp_6-31g(d).qchem.inp (generated)

000600266.b3lyp_6-31g(d).gjf (generated)

000600266.b3lyp_6-31g(d).firefly.inp (generated)

000600266.b3lyp_6-31g(d).smash.inp (generated)

000600266.b3lyp_6-31g(d).nwchem.inp (generated) 000600266.b3lyp_6-31g(d).log.xz 000600266.mol 000600266.PUBCHEM 000600266.mol (via Jmol)
000600268.b3lyp_6-31g(d).inp

000600268.b3lyp_6-31g(d).qchem.inp (generated)

000600268.b3lyp_6-31g(d).gjf (generated)

000600268.b3lyp_6-31g(d).firefly.inp (generated)

000600268.b3lyp_6-31g(d).smash.inp (generated)

000600268.b3lyp_6-31g(d).nwchem.inp (generated) 000600268.b3lyp_6-31g(d).log.xz 000600268.td-b3lyp_6-31g+(d).inp 000600268.td-b3lyp_6-31g+(d).log.xz

000600268.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600268.td-b3lyp_6-31+g(d).gjf (generated)

000600268.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600268.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600268.mol 000600268.PUBCHEM 000600268.mol (via Jmol)
000600269.b3lyp_6-31g(d).inp

000600269.b3lyp_6-31g(d).qchem.inp (generated)

000600269.b3lyp_6-31g(d).gjf (generated)

000600269.b3lyp_6-31g(d).firefly.inp (generated)

000600269.b3lyp_6-31g(d).smash.inp (generated)

000600269.b3lyp_6-31g(d).nwchem.inp (generated) 000600269.b3lyp_6-31g(d).log.xz 000600269.td-b3lyp_6-31g+(d).inp 000600269.td-b3lyp_6-31g+(d).log.xz

000600269.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600269.td-b3lyp_6-31+g(d).gjf (generated)

000600269.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600269.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600269.mol 000600269.PUBCHEM 000600269.mol (via Jmol)
000600270.b3lyp_6-31g(d).inp

000600270.b3lyp_6-31g(d).qchem.inp (generated)

000600270.b3lyp_6-31g(d).gjf (generated)

000600270.b3lyp_6-31g(d).firefly.inp (generated)

000600270.b3lyp_6-31g(d).smash.inp (generated)

000600270.b3lyp_6-31g(d).nwchem.inp (generated) 000600270.b3lyp_6-31g(d).log.xz 000600270.td-b3lyp_6-31g+(d).inp 000600270.td-b3lyp_6-31g+(d).log.xz

000600270.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600270.td-b3lyp_6-31+g(d).gjf (generated)

000600270.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600270.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600270.mol 000600270.PUBCHEM 000600270.mol (via Jmol)
000600273.b3lyp_6-31g(d).inp

000600273.b3lyp_6-31g(d).qchem.inp (generated)

000600273.b3lyp_6-31g(d).gjf (generated)

000600273.b3lyp_6-31g(d).firefly.inp (generated)

000600273.b3lyp_6-31g(d).smash.inp (generated)

000600273.b3lyp_6-31g(d).nwchem.inp (generated) 000600273.b3lyp_6-31g(d).log.xz 000600273.td-b3lyp_6-31g+(d).inp 000600273.td-b3lyp_6-31g+(d).log.xz

000600273.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600273.td-b3lyp_6-31+g(d).gjf (generated)

000600273.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600273.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600273.mol 000600273.PUBCHEM 000600273.mol (via Jmol)
000600276.b3lyp_6-31g(d).inp

000600276.b3lyp_6-31g(d).qchem.inp (generated)

000600276.b3lyp_6-31g(d).gjf (generated)

000600276.b3lyp_6-31g(d).firefly.inp (generated)

000600276.b3lyp_6-31g(d).smash.inp (generated)

000600276.b3lyp_6-31g(d).nwchem.inp (generated) 000600276.b3lyp_6-31g(d).log.xz 000600276.td-b3lyp_6-31g+(d).inp 000600276.td-b3lyp_6-31g+(d).log.xz

000600276.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600276.td-b3lyp_6-31+g(d).gjf (generated)

000600276.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600276.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600276.mol 000600276.PUBCHEM 000600276.mol (via Jmol)
000600277.b3lyp_6-31g(d).inp

000600277.b3lyp_6-31g(d).qchem.inp (generated)

000600277.b3lyp_6-31g(d).gjf (generated)

000600277.b3lyp_6-31g(d).firefly.inp (generated)

000600277.b3lyp_6-31g(d).smash.inp (generated)

000600277.b3lyp_6-31g(d).nwchem.inp (generated) 000600277.b3lyp_6-31g(d).log.xz 000600277.td-b3lyp_6-31g+(d).inp 000600277.td-b3lyp_6-31g+(d).log.xz

000600277.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600277.td-b3lyp_6-31+g(d).gjf (generated)

000600277.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600277.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600277.mol 000600277.PUBCHEM 000600277.mol (via Jmol)
000600279.b3lyp_6-31g(d).inp

000600279.b3lyp_6-31g(d).qchem.inp (generated)

000600279.b3lyp_6-31g(d).gjf (generated)

000600279.b3lyp_6-31g(d).firefly.inp (generated)

000600279.b3lyp_6-31g(d).smash.inp (generated)

000600279.b3lyp_6-31g(d).nwchem.inp (generated) 000600279.b3lyp_6-31g(d).log.xz 000600279.td-b3lyp_6-31g+(d).inp 000600279.td-b3lyp_6-31g+(d).log.xz

000600279.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600279.td-b3lyp_6-31+g(d).gjf (generated)

000600279.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600279.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600279.mol 000600279.PUBCHEM 000600279.mol (via Jmol)
000600280.b3lyp_6-31g(d).inp

000600280.b3lyp_6-31g(d).qchem.inp (generated)

000600280.b3lyp_6-31g(d).gjf (generated)

000600280.b3lyp_6-31g(d).firefly.inp (generated)

000600280.b3lyp_6-31g(d).smash.inp (generated)

000600280.b3lyp_6-31g(d).nwchem.inp (generated) 000600280.b3lyp_6-31g(d).log.xz 000600280.td-b3lyp_6-31g+(d).inp 000600280.td-b3lyp_6-31g+(d).log.xz

000600280.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600280.td-b3lyp_6-31+g(d).gjf (generated)

000600280.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600280.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600280.mol 000600280.PUBCHEM 000600280.mol (via Jmol)
000600283.b3lyp_6-31g(d).inp

000600283.b3lyp_6-31g(d).qchem.inp (generated)

000600283.b3lyp_6-31g(d).gjf (generated)

000600283.b3lyp_6-31g(d).firefly.inp (generated)

000600283.b3lyp_6-31g(d).smash.inp (generated)

000600283.b3lyp_6-31g(d).nwchem.inp (generated) 000600283.b3lyp_6-31g(d).log.xz 000600283.td-b3lyp_6-31g+(d).inp 000600283.td-b3lyp_6-31g+(d).log.xz

000600283.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600283.td-b3lyp_6-31+g(d).gjf (generated)

000600283.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600283.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600283.mol 000600283.PUBCHEM 000600283.mol (via Jmol)
000600287.b3lyp_6-31g(d).inp

000600287.b3lyp_6-31g(d).qchem.inp (generated)

000600287.b3lyp_6-31g(d).gjf (generated)

000600287.b3lyp_6-31g(d).firefly.inp (generated)

000600287.b3lyp_6-31g(d).smash.inp (generated)

000600287.b3lyp_6-31g(d).nwchem.inp (generated) 000600287.b3lyp_6-31g(d).log.xz 000600287.mol 000600287.PUBCHEM 000600287.mol (via Jmol)
000600288.b3lyp_6-31g(d).inp

000600288.b3lyp_6-31g(d).qchem.inp (generated)

000600288.b3lyp_6-31g(d).gjf (generated)

000600288.b3lyp_6-31g(d).firefly.inp (generated)

000600288.b3lyp_6-31g(d).smash.inp (generated)

000600288.b3lyp_6-31g(d).nwchem.inp (generated) 000600288.b3lyp_6-31g(d).log.xz 000600288.td-b3lyp_6-31g+(d).inp 000600288.td-b3lyp_6-31g+(d).log.xz

000600288.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600288.td-b3lyp_6-31+g(d).gjf (generated)

000600288.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600288.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600288.mol 000600288.PUBCHEM 000600288.mol (via Jmol)
000600300.b3lyp_6-31g(d).inp

000600300.b3lyp_6-31g(d).qchem.inp (generated)

000600300.b3lyp_6-31g(d).gjf (generated)

000600300.b3lyp_6-31g(d).firefly.inp (generated)

000600300.b3lyp_6-31g(d).smash.inp (generated)

000600300.b3lyp_6-31g(d).nwchem.inp (generated) 000600300.b3lyp_6-31g(d).log.xz 000600300.td-b3lyp_6-31g+(d).inp 000600300.td-b3lyp_6-31g+(d).log.xz

000600300.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600300.td-b3lyp_6-31+g(d).gjf (generated)

000600300.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600300.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600300.mol 000600300.PUBCHEM 000600300.mol (via Jmol)
000600309.b3lyp_6-31g(d).inp

000600309.b3lyp_6-31g(d).qchem.inp (generated)

000600309.b3lyp_6-31g(d).gjf (generated)

000600309.b3lyp_6-31g(d).firefly.inp (generated)

000600309.b3lyp_6-31g(d).smash.inp (generated)

000600309.b3lyp_6-31g(d).nwchem.inp (generated) 000600309.b3lyp_6-31g(d).log.xz 000600309.td-b3lyp_6-31g+(d).inp 000600309.td-b3lyp_6-31g+(d).log.xz

000600309.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600309.td-b3lyp_6-31+g(d).gjf (generated)

000600309.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600309.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600309.mol 000600309.PUBCHEM 000600309.mol (via Jmol)
000600311.b3lyp_6-31g(d).inp

000600311.b3lyp_6-31g(d).qchem.inp (generated)

000600311.b3lyp_6-31g(d).gjf (generated)

000600311.b3lyp_6-31g(d).firefly.inp (generated)

000600311.b3lyp_6-31g(d).smash.inp (generated)

000600311.b3lyp_6-31g(d).nwchem.inp (generated) 000600311.b3lyp_6-31g(d).log.xz 000600311.td-b3lyp_6-31g+(d).inp 000600311.td-b3lyp_6-31g+(d).log.xz

000600311.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600311.td-b3lyp_6-31+g(d).gjf (generated)

000600311.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600311.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600311.mol 000600311.PUBCHEM 000600311.mol (via Jmol)
000600315.b3lyp_6-31g(d).inp

000600315.b3lyp_6-31g(d).qchem.inp (generated)

000600315.b3lyp_6-31g(d).gjf (generated)

000600315.b3lyp_6-31g(d).firefly.inp (generated)

000600315.b3lyp_6-31g(d).smash.inp (generated)

000600315.b3lyp_6-31g(d).nwchem.inp (generated) 000600315.b3lyp_6-31g(d).log.xz 000600315.td-b3lyp_6-31g+(d).inp 000600315.td-b3lyp_6-31g+(d).log.xz

000600315.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600315.td-b3lyp_6-31+g(d).gjf (generated)

000600315.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600315.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600315.mol 000600315.PUBCHEM 000600315.mol (via Jmol)
000600316.b3lyp_6-31g(d).inp

000600316.b3lyp_6-31g(d).qchem.inp (generated)

000600316.b3lyp_6-31g(d).gjf (generated)

000600316.b3lyp_6-31g(d).firefly.inp (generated)

000600316.b3lyp_6-31g(d).smash.inp (generated)

000600316.b3lyp_6-31g(d).nwchem.inp (generated) 000600316.b3lyp_6-31g(d).log.xz 000600316.td-b3lyp_6-31g+(d).inp 000600316.td-b3lyp_6-31g+(d).log.xz

000600316.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600316.td-b3lyp_6-31+g(d).gjf (generated)

000600316.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600316.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600316.mol 000600316.PUBCHEM 000600316.mol (via Jmol)
000600317.b3lyp_6-31g(d).inp

000600317.b3lyp_6-31g(d).qchem.inp (generated)

000600317.b3lyp_6-31g(d).gjf (generated)

000600317.b3lyp_6-31g(d).firefly.inp (generated)

000600317.b3lyp_6-31g(d).smash.inp (generated)

000600317.b3lyp_6-31g(d).nwchem.inp (generated) 000600317.b3lyp_6-31g(d).log.xz 000600317.td-b3lyp_6-31g+(d).inp 000600317.td-b3lyp_6-31g+(d).log.xz

000600317.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600317.td-b3lyp_6-31+g(d).gjf (generated)

000600317.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600317.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600317.mol 000600317.PUBCHEM 000600317.mol (via Jmol)
000600318.b3lyp_6-31g(d).inp

000600318.b3lyp_6-31g(d).qchem.inp (generated)

000600318.b3lyp_6-31g(d).gjf (generated)

000600318.b3lyp_6-31g(d).firefly.inp (generated)

000600318.b3lyp_6-31g(d).smash.inp (generated)

000600318.b3lyp_6-31g(d).nwchem.inp (generated) 000600318.b3lyp_6-31g(d).log.xz 000600318.td-b3lyp_6-31g+(d).inp 000600318.td-b3lyp_6-31g+(d).log.xz

000600318.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600318.td-b3lyp_6-31+g(d).gjf (generated)

000600318.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600318.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600318.mol 000600318.PUBCHEM 000600318.mol (via Jmol)
000600319.b3lyp_6-31g(d).inp

000600319.b3lyp_6-31g(d).qchem.inp (generated)

000600319.b3lyp_6-31g(d).gjf (generated)

000600319.b3lyp_6-31g(d).firefly.inp (generated)

000600319.b3lyp_6-31g(d).smash.inp (generated)

000600319.b3lyp_6-31g(d).nwchem.inp (generated) 000600319.b3lyp_6-31g(d).log.xz 000600319.mol 000600319.PUBCHEM 000600319.mol (via Jmol)
000600320.b3lyp_6-31g(d).inp

000600320.b3lyp_6-31g(d).qchem.inp (generated)

000600320.b3lyp_6-31g(d).gjf (generated)

000600320.b3lyp_6-31g(d).firefly.inp (generated)

000600320.b3lyp_6-31g(d).smash.inp (generated)

000600320.b3lyp_6-31g(d).nwchem.inp (generated) 000600320.b3lyp_6-31g(d).log.xz 000600320.td-b3lyp_6-31g+(d).inp 000600320.td-b3lyp_6-31g+(d).log.xz

000600320.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600320.td-b3lyp_6-31+g(d).gjf (generated)

000600320.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600320.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600320.mol 000600320.PUBCHEM 000600320.mol (via Jmol)
000600321.b3lyp_6-31g(d).inp

000600321.b3lyp_6-31g(d).qchem.inp (generated)

000600321.b3lyp_6-31g(d).gjf (generated)

000600321.b3lyp_6-31g(d).firefly.inp (generated)

000600321.b3lyp_6-31g(d).smash.inp (generated)

000600321.b3lyp_6-31g(d).nwchem.inp (generated) 000600321.b3lyp_6-31g(d).log.xz 000600321.mol 000600321.PUBCHEM 000600321.mol (via Jmol)
000600322.b3lyp_6-31g(d).inp

000600322.b3lyp_6-31g(d).qchem.inp (generated)

000600322.b3lyp_6-31g(d).gjf (generated)

000600322.b3lyp_6-31g(d).firefly.inp (generated)

000600322.b3lyp_6-31g(d).smash.inp (generated)

000600322.b3lyp_6-31g(d).nwchem.inp (generated) 000600322.b3lyp_6-31g(d).log.xz 000600322.mol 000600322.PUBCHEM 000600322.mol (via Jmol)
000600328.b3lyp_6-31g(d).inp

000600328.b3lyp_6-31g(d).qchem.inp (generated)

000600328.b3lyp_6-31g(d).gjf (generated)

000600328.b3lyp_6-31g(d).firefly.inp (generated)

000600328.b3lyp_6-31g(d).smash.inp (generated)

000600328.b3lyp_6-31g(d).nwchem.inp (generated) 000600328.b3lyp_6-31g(d).log.xz 000600328.td-b3lyp_6-31g+(d).inp 000600328.td-b3lyp_6-31g+(d).log.xz

000600328.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600328.td-b3lyp_6-31+g(d).gjf (generated)

000600328.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600328.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600328.mol 000600328.PUBCHEM 000600328.mol (via Jmol)
000600332.b3lyp_6-31g(d).inp

000600332.b3lyp_6-31g(d).qchem.inp (generated)

000600332.b3lyp_6-31g(d).gjf (generated)

000600332.b3lyp_6-31g(d).firefly.inp (generated)

000600332.b3lyp_6-31g(d).smash.inp (generated)

000600332.b3lyp_6-31g(d).nwchem.inp (generated) 000600332.b3lyp_6-31g(d).log.xz 000600332.td-b3lyp_6-31g+(d).inp 000600332.td-b3lyp_6-31g+(d).log.xz

000600332.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600332.td-b3lyp_6-31+g(d).gjf (generated)

000600332.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600332.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600332.mol 000600332.PUBCHEM 000600332.mol (via Jmol)
000600333.b3lyp_6-31g(d).inp

000600333.b3lyp_6-31g(d).qchem.inp (generated)

000600333.b3lyp_6-31g(d).gjf (generated)

000600333.b3lyp_6-31g(d).firefly.inp (generated)

000600333.b3lyp_6-31g(d).smash.inp (generated)

000600333.b3lyp_6-31g(d).nwchem.inp (generated) 000600333.b3lyp_6-31g(d).log.xz 000600333.td-b3lyp_6-31g+(d).inp 000600333.td-b3lyp_6-31g+(d).log.xz

000600333.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600333.td-b3lyp_6-31+g(d).gjf (generated)

000600333.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600333.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600333.mol 000600333.PUBCHEM 000600333.mol (via Jmol)
000600334.b3lyp_6-31g(d).inp

000600334.b3lyp_6-31g(d).qchem.inp (generated)

000600334.b3lyp_6-31g(d).gjf (generated)

000600334.b3lyp_6-31g(d).firefly.inp (generated)

000600334.b3lyp_6-31g(d).smash.inp (generated)

000600334.b3lyp_6-31g(d).nwchem.inp (generated) 000600334.b3lyp_6-31g(d).log.xz 000600334.td-b3lyp_6-31g+(d).inp 000600334.td-b3lyp_6-31g+(d).log.xz

000600334.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600334.td-b3lyp_6-31+g(d).gjf (generated)

000600334.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600334.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600334.mol 000600334.PUBCHEM 000600334.mol (via Jmol)
000600335.b3lyp_6-31g(d).inp

000600335.b3lyp_6-31g(d).qchem.inp (generated)

000600335.b3lyp_6-31g(d).gjf (generated)

000600335.b3lyp_6-31g(d).firefly.inp (generated)

000600335.b3lyp_6-31g(d).smash.inp (generated)

000600335.b3lyp_6-31g(d).nwchem.inp (generated) 000600335.b3lyp_6-31g(d).log.xz 000600335.td-b3lyp_6-31g+(d).inp 000600335.td-b3lyp_6-31g+(d).log.xz

000600335.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600335.td-b3lyp_6-31+g(d).gjf (generated)

000600335.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600335.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600335.mol 000600335.PUBCHEM 000600335.mol (via Jmol)
000600336.b3lyp_6-31g(d).inp

000600336.b3lyp_6-31g(d).qchem.inp (generated)

000600336.b3lyp_6-31g(d).gjf (generated)

000600336.b3lyp_6-31g(d).firefly.inp (generated)

000600336.b3lyp_6-31g(d).smash.inp (generated)

000600336.b3lyp_6-31g(d).nwchem.inp (generated) 000600336.b3lyp_6-31g(d).log.xz 000600336.mol 000600336.PUBCHEM 000600336.mol (via Jmol)
000600337.b3lyp_6-31g(d).inp

000600337.b3lyp_6-31g(d).qchem.inp (generated)

000600337.b3lyp_6-31g(d).gjf (generated)

000600337.b3lyp_6-31g(d).firefly.inp (generated)

000600337.b3lyp_6-31g(d).smash.inp (generated)

000600337.b3lyp_6-31g(d).nwchem.inp (generated) 000600337.b3lyp_6-31g(d).log.xz 000600337.mol 000600337.PUBCHEM 000600337.mol (via Jmol)
000600341.b3lyp_6-31g(d).inp

000600341.b3lyp_6-31g(d).qchem.inp (generated)

000600341.b3lyp_6-31g(d).gjf (generated)

000600341.b3lyp_6-31g(d).firefly.inp (generated)

000600341.b3lyp_6-31g(d).smash.inp (generated)

000600341.b3lyp_6-31g(d).nwchem.inp (generated) 000600341.b3lyp_6-31g(d).log.xz 000600341.mol 000600341.PUBCHEM 000600341.mol (via Jmol)
000600351.b3lyp_6-31g(d).inp

000600351.b3lyp_6-31g(d).qchem.inp (generated)

000600351.b3lyp_6-31g(d).gjf (generated)

000600351.b3lyp_6-31g(d).firefly.inp (generated)

000600351.b3lyp_6-31g(d).smash.inp (generated)

000600351.b3lyp_6-31g(d).nwchem.inp (generated) 000600351.b3lyp_6-31g(d).log.xz 000600351.td-b3lyp_6-31g+(d).inp 000600351.td-b3lyp_6-31g+(d).log.xz

000600351.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600351.td-b3lyp_6-31+g(d).gjf (generated)

000600351.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600351.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600351.mol 000600351.PUBCHEM 000600351.mol (via Jmol)
000600353.b3lyp_6-31g(d).inp

000600353.b3lyp_6-31g(d).qchem.inp (generated)

000600353.b3lyp_6-31g(d).gjf (generated)

000600353.b3lyp_6-31g(d).firefly.inp (generated)

000600353.b3lyp_6-31g(d).smash.inp (generated)

000600353.b3lyp_6-31g(d).nwchem.inp (generated) 000600353.b3lyp_6-31g(d).log.xz 000600353.mol 000600353.PUBCHEM 000600353.mol (via Jmol)
000600356.b3lyp_6-31g(d).inp

000600356.b3lyp_6-31g(d).qchem.inp (generated)

000600356.b3lyp_6-31g(d).gjf (generated)

000600356.b3lyp_6-31g(d).firefly.inp (generated)

000600356.b3lyp_6-31g(d).smash.inp (generated)

000600356.b3lyp_6-31g(d).nwchem.inp (generated) 000600356.b3lyp_6-31g(d).log.xz 000600356.td-b3lyp_6-31g+(d).inp 000600356.td-b3lyp_6-31g+(d).log.xz

000600356.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600356.td-b3lyp_6-31+g(d).gjf (generated)

000600356.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600356.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600356.mol 000600356.PUBCHEM 000600356.mol (via Jmol)
000600359.b3lyp_6-31g(d).inp

000600359.b3lyp_6-31g(d).qchem.inp (generated)

000600359.b3lyp_6-31g(d).gjf (generated)

000600359.b3lyp_6-31g(d).firefly.inp (generated)

000600359.b3lyp_6-31g(d).smash.inp (generated)

000600359.b3lyp_6-31g(d).nwchem.inp (generated) 000600359.b3lyp_6-31g(d).log.xz 000600359.td-b3lyp_6-31g+(d).inp 000600359.td-b3lyp_6-31g+(d).log.xz

000600359.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600359.td-b3lyp_6-31+g(d).gjf (generated)

000600359.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600359.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600359.mol 000600359.PUBCHEM 000600359.mol (via Jmol)
000600360.b3lyp_6-31g(d).inp

000600360.b3lyp_6-31g(d).qchem.inp (generated)

000600360.b3lyp_6-31g(d).gjf (generated)

000600360.b3lyp_6-31g(d).firefly.inp (generated)

000600360.b3lyp_6-31g(d).smash.inp (generated)

000600360.b3lyp_6-31g(d).nwchem.inp (generated) 000600360.b3lyp_6-31g(d).log.xz 000600360.td-b3lyp_6-31g+(d).inp 000600360.td-b3lyp_6-31g+(d).log.xz

000600360.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600360.td-b3lyp_6-31+g(d).gjf (generated)

000600360.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600360.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600360.mol 000600360.PUBCHEM 000600360.mol (via Jmol)
000600365.b3lyp_6-31g(d).inp

000600365.b3lyp_6-31g(d).qchem.inp (generated)

000600365.b3lyp_6-31g(d).gjf (generated)

000600365.b3lyp_6-31g(d).firefly.inp (generated)

000600365.b3lyp_6-31g(d).smash.inp (generated)

000600365.b3lyp_6-31g(d).nwchem.inp (generated) 000600365.b3lyp_6-31g(d).log.xz 000600365.td-b3lyp_6-31g+(d).inp 000600365.td-b3lyp_6-31g+(d).log.xz

000600365.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600365.td-b3lyp_6-31+g(d).gjf (generated)

000600365.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600365.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600365.mol 000600365.PUBCHEM 000600365.mol (via Jmol)
000600371.b3lyp_6-31g(d).inp

000600371.b3lyp_6-31g(d).qchem.inp (generated)

000600371.b3lyp_6-31g(d).gjf (generated)

000600371.b3lyp_6-31g(d).firefly.inp (generated)

000600371.b3lyp_6-31g(d).smash.inp (generated)

000600371.b3lyp_6-31g(d).nwchem.inp (generated) 000600371.b3lyp_6-31g(d).log.xz 000600371.td-b3lyp_6-31g+(d).inp 000600371.td-b3lyp_6-31g+(d).log.xz

000600371.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600371.td-b3lyp_6-31+g(d).gjf (generated)

000600371.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600371.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600371.mol 000600371.PUBCHEM 000600371.mol (via Jmol)
000600372.b3lyp_6-31g(d).inp

000600372.b3lyp_6-31g(d).qchem.inp (generated)

000600372.b3lyp_6-31g(d).gjf (generated)

000600372.b3lyp_6-31g(d).firefly.inp (generated)

000600372.b3lyp_6-31g(d).smash.inp (generated)

000600372.b3lyp_6-31g(d).nwchem.inp (generated) 000600372.b3lyp_6-31g(d).log.xz 000600372.td-b3lyp_6-31g+(d).inp 000600372.td-b3lyp_6-31g+(d).log.xz

000600372.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600372.td-b3lyp_6-31+g(d).gjf (generated)

000600372.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600372.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600372.mol 000600372.PUBCHEM 000600372.mol (via Jmol)
000600373.b3lyp_6-31g(d).inp

000600373.b3lyp_6-31g(d).qchem.inp (generated)

000600373.b3lyp_6-31g(d).gjf (generated)

000600373.b3lyp_6-31g(d).firefly.inp (generated)

000600373.b3lyp_6-31g(d).smash.inp (generated)

000600373.b3lyp_6-31g(d).nwchem.inp (generated) 000600373.b3lyp_6-31g(d).log.xz 000600373.td-b3lyp_6-31g+(d).inp 000600373.td-b3lyp_6-31g+(d).log.xz

000600373.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600373.td-b3lyp_6-31+g(d).gjf (generated)

000600373.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600373.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600373.mol 000600373.PUBCHEM 000600373.mol (via Jmol)
000600374.b3lyp_6-31g(d).inp

000600374.b3lyp_6-31g(d).qchem.inp (generated)

000600374.b3lyp_6-31g(d).gjf (generated)

000600374.b3lyp_6-31g(d).firefly.inp (generated)

000600374.b3lyp_6-31g(d).smash.inp (generated)

000600374.b3lyp_6-31g(d).nwchem.inp (generated) 000600374.b3lyp_6-31g(d).log.xz 000600374.td-b3lyp_6-31g+(d).inp 000600374.td-b3lyp_6-31g+(d).log.xz

000600374.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600374.td-b3lyp_6-31+g(d).gjf (generated)

000600374.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600374.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600374.mol 000600374.PUBCHEM 000600374.mol (via Jmol)
000600375.b3lyp_6-31g(d).inp

000600375.b3lyp_6-31g(d).qchem.inp (generated)

000600375.b3lyp_6-31g(d).gjf (generated)

000600375.b3lyp_6-31g(d).firefly.inp (generated)

000600375.b3lyp_6-31g(d).smash.inp (generated)

000600375.b3lyp_6-31g(d).nwchem.inp (generated) 000600375.b3lyp_6-31g(d).log.xz 000600375.td-b3lyp_6-31g+(d).inp 000600375.td-b3lyp_6-31g+(d).log.xz

000600375.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600375.td-b3lyp_6-31+g(d).gjf (generated)

000600375.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600375.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600375.mol 000600375.PUBCHEM 000600375.mol (via Jmol)
000600376.b3lyp_6-31g(d).inp

000600376.b3lyp_6-31g(d).qchem.inp (generated)

000600376.b3lyp_6-31g(d).gjf (generated)

000600376.b3lyp_6-31g(d).firefly.inp (generated)

000600376.b3lyp_6-31g(d).smash.inp (generated)

000600376.b3lyp_6-31g(d).nwchem.inp (generated) 000600376.b3lyp_6-31g(d).log.xz 000600376.td-b3lyp_6-31g+(d).inp 000600376.td-b3lyp_6-31g+(d).log.xz

000600376.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600376.td-b3lyp_6-31+g(d).gjf (generated)

000600376.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600376.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600376.mol 000600376.PUBCHEM 000600376.mol (via Jmol)
000600377.b3lyp_6-31g(d).inp

000600377.b3lyp_6-31g(d).qchem.inp (generated)

000600377.b3lyp_6-31g(d).gjf (generated)

000600377.b3lyp_6-31g(d).firefly.inp (generated)

000600377.b3lyp_6-31g(d).smash.inp (generated)

000600377.b3lyp_6-31g(d).nwchem.inp (generated) 000600377.b3lyp_6-31g(d).log.xz 000600377.td-b3lyp_6-31g+(d).inp 000600377.td-b3lyp_6-31g+(d).log.xz

000600377.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600377.td-b3lyp_6-31+g(d).gjf (generated)

000600377.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600377.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600377.mol 000600377.PUBCHEM 000600377.mol (via Jmol)
000600379.b3lyp_6-31g(d).inp

000600379.b3lyp_6-31g(d).qchem.inp (generated)

000600379.b3lyp_6-31g(d).gjf (generated)

000600379.b3lyp_6-31g(d).firefly.inp (generated)

000600379.b3lyp_6-31g(d).smash.inp (generated)

000600379.b3lyp_6-31g(d).nwchem.inp (generated) 000600379.b3lyp_6-31g(d).log.xz 000600379.td-b3lyp_6-31g+(d).inp 000600379.td-b3lyp_6-31g+(d).log.xz

000600379.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600379.td-b3lyp_6-31+g(d).gjf (generated)

000600379.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600379.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600379.mol 000600379.PUBCHEM 000600379.mol (via Jmol)
000600380.b3lyp_6-31g(d).inp

000600380.b3lyp_6-31g(d).qchem.inp (generated)

000600380.b3lyp_6-31g(d).gjf (generated)

000600380.b3lyp_6-31g(d).firefly.inp (generated)

000600380.b3lyp_6-31g(d).smash.inp (generated)

000600380.b3lyp_6-31g(d).nwchem.inp (generated) 000600380.b3lyp_6-31g(d).log.xz 000600380.td-b3lyp_6-31g+(d).inp 000600380.td-b3lyp_6-31g+(d).log.xz

000600380.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600380.td-b3lyp_6-31+g(d).gjf (generated)

000600380.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600380.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600380.mol 000600380.PUBCHEM 000600380.mol (via Jmol)
000600381.b3lyp_6-31g(d).inp

000600381.b3lyp_6-31g(d).qchem.inp (generated)

000600381.b3lyp_6-31g(d).gjf (generated)

000600381.b3lyp_6-31g(d).firefly.inp (generated)

000600381.b3lyp_6-31g(d).smash.inp (generated)

000600381.b3lyp_6-31g(d).nwchem.inp (generated) 000600381.b3lyp_6-31g(d).log.xz 000600381.td-b3lyp_6-31g+(d).inp 000600381.td-b3lyp_6-31g+(d).log.xz

000600381.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600381.td-b3lyp_6-31+g(d).gjf (generated)

000600381.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600381.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600381.mol 000600381.PUBCHEM 000600381.mol (via Jmol)
000600382.b3lyp_6-31g(d).inp

000600382.b3lyp_6-31g(d).qchem.inp (generated)

000600382.b3lyp_6-31g(d).gjf (generated)

000600382.b3lyp_6-31g(d).firefly.inp (generated)

000600382.b3lyp_6-31g(d).smash.inp (generated)

000600382.b3lyp_6-31g(d).nwchem.inp (generated) 000600382.b3lyp_6-31g(d).log.xz 000600382.td-b3lyp_6-31g+(d).inp 000600382.td-b3lyp_6-31g+(d).log.xz

000600382.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600382.td-b3lyp_6-31+g(d).gjf (generated)

000600382.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600382.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600382.mol 000600382.PUBCHEM 000600382.mol (via Jmol)
000600383.b3lyp_6-31g(d).inp

000600383.b3lyp_6-31g(d).qchem.inp (generated)

000600383.b3lyp_6-31g(d).gjf (generated)

000600383.b3lyp_6-31g(d).firefly.inp (generated)

000600383.b3lyp_6-31g(d).smash.inp (generated)

000600383.b3lyp_6-31g(d).nwchem.inp (generated) 000600383.b3lyp_6-31g(d).log.xz 000600383.td-b3lyp_6-31g+(d).inp 000600383.td-b3lyp_6-31g+(d).log.xz

000600383.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600383.td-b3lyp_6-31+g(d).gjf (generated)

000600383.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600383.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600383.mol 000600383.PUBCHEM 000600383.mol (via Jmol)
000600384.b3lyp_6-31g(d).inp

000600384.b3lyp_6-31g(d).qchem.inp (generated)

000600384.b3lyp_6-31g(d).gjf (generated)

000600384.b3lyp_6-31g(d).firefly.inp (generated)

000600384.b3lyp_6-31g(d).smash.inp (generated)

000600384.b3lyp_6-31g(d).nwchem.inp (generated) 000600384.b3lyp_6-31g(d).log.xz 000600384.td-b3lyp_6-31g+(d).inp 000600384.td-b3lyp_6-31g+(d).log.xz

000600384.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600384.td-b3lyp_6-31+g(d).gjf (generated)

000600384.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600384.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600384.mol 000600384.PUBCHEM 000600384.mol (via Jmol)
000600385.b3lyp_6-31g(d).inp

000600385.b3lyp_6-31g(d).qchem.inp (generated)

000600385.b3lyp_6-31g(d).gjf (generated)

000600385.b3lyp_6-31g(d).firefly.inp (generated)

000600385.b3lyp_6-31g(d).smash.inp (generated)

000600385.b3lyp_6-31g(d).nwchem.inp (generated) 000600385.b3lyp_6-31g(d).log.xz 000600385.td-b3lyp_6-31g+(d).inp 000600385.td-b3lyp_6-31g+(d).log.xz

000600385.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600385.td-b3lyp_6-31+g(d).gjf (generated)

000600385.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600385.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600385.mol 000600385.PUBCHEM 000600385.mol (via Jmol)
000600386.b3lyp_6-31g(d).inp

000600386.b3lyp_6-31g(d).qchem.inp (generated)

000600386.b3lyp_6-31g(d).gjf (generated)

000600386.b3lyp_6-31g(d).firefly.inp (generated)

000600386.b3lyp_6-31g(d).smash.inp (generated)

000600386.b3lyp_6-31g(d).nwchem.inp (generated) 000600386.b3lyp_6-31g(d).log.xz 000600386.td-b3lyp_6-31g+(d).inp 000600386.td-b3lyp_6-31g+(d).log.xz

000600386.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600386.td-b3lyp_6-31+g(d).gjf (generated)

000600386.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600386.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600386.mol 000600386.PUBCHEM 000600386.mol (via Jmol)
000600387.b3lyp_6-31g(d).inp

000600387.b3lyp_6-31g(d).qchem.inp (generated)

000600387.b3lyp_6-31g(d).gjf (generated)

000600387.b3lyp_6-31g(d).firefly.inp (generated)

000600387.b3lyp_6-31g(d).smash.inp (generated)

000600387.b3lyp_6-31g(d).nwchem.inp (generated) 000600387.b3lyp_6-31g(d).log.xz 000600387.td-b3lyp_6-31g+(d).inp 000600387.td-b3lyp_6-31g+(d).log.xz

000600387.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600387.td-b3lyp_6-31+g(d).gjf (generated)

000600387.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600387.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600387.mol 000600387.PUBCHEM 000600387.mol (via Jmol)
000600388.b3lyp_6-31g(d).inp

000600388.b3lyp_6-31g(d).qchem.inp (generated)

000600388.b3lyp_6-31g(d).gjf (generated)

000600388.b3lyp_6-31g(d).firefly.inp (generated)

000600388.b3lyp_6-31g(d).smash.inp (generated)

000600388.b3lyp_6-31g(d).nwchem.inp (generated) 000600388.b3lyp_6-31g(d).log.xz 000600388.td-b3lyp_6-31g+(d).inp 000600388.td-b3lyp_6-31g+(d).log.xz

000600388.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600388.td-b3lyp_6-31+g(d).gjf (generated)

000600388.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600388.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600388.mol 000600388.PUBCHEM 000600388.mol (via Jmol)
000600389.b3lyp_6-31g(d).inp

000600389.b3lyp_6-31g(d).qchem.inp (generated)

000600389.b3lyp_6-31g(d).gjf (generated)

000600389.b3lyp_6-31g(d).firefly.inp (generated)

000600389.b3lyp_6-31g(d).smash.inp (generated)

000600389.b3lyp_6-31g(d).nwchem.inp (generated) 000600389.b3lyp_6-31g(d).log.xz 000600389.td-b3lyp_6-31g+(d).inp 000600389.td-b3lyp_6-31g+(d).log.xz

000600389.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600389.td-b3lyp_6-31+g(d).gjf (generated)

000600389.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600389.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600389.mol 000600389.PUBCHEM 000600389.mol (via Jmol)
000600390.b3lyp_6-31g(d).inp

000600390.b3lyp_6-31g(d).qchem.inp (generated)

000600390.b3lyp_6-31g(d).gjf (generated)

000600390.b3lyp_6-31g(d).firefly.inp (generated)

000600390.b3lyp_6-31g(d).smash.inp (generated)

000600390.b3lyp_6-31g(d).nwchem.inp (generated) 000600390.b3lyp_6-31g(d).log.xz 000600390.td-b3lyp_6-31g+(d).inp 000600390.td-b3lyp_6-31g+(d).log.xz

000600390.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600390.td-b3lyp_6-31+g(d).gjf (generated)

000600390.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600390.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600390.mol 000600390.PUBCHEM 000600390.mol (via Jmol)
000600391.b3lyp_6-31g(d).inp

000600391.b3lyp_6-31g(d).qchem.inp (generated)

000600391.b3lyp_6-31g(d).gjf (generated)

000600391.b3lyp_6-31g(d).firefly.inp (generated)

000600391.b3lyp_6-31g(d).smash.inp (generated)

000600391.b3lyp_6-31g(d).nwchem.inp (generated) 000600391.b3lyp_6-31g(d).log.xz 000600391.td-b3lyp_6-31g+(d).inp 000600391.td-b3lyp_6-31g+(d).log.xz

000600391.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600391.td-b3lyp_6-31+g(d).gjf (generated)

000600391.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600391.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600391.mol 000600391.PUBCHEM 000600391.mol (via Jmol)
000600392.b3lyp_6-31g(d).inp

000600392.b3lyp_6-31g(d).qchem.inp (generated)

000600392.b3lyp_6-31g(d).gjf (generated)

000600392.b3lyp_6-31g(d).firefly.inp (generated)

000600392.b3lyp_6-31g(d).smash.inp (generated)

000600392.b3lyp_6-31g(d).nwchem.inp (generated) 000600392.b3lyp_6-31g(d).log.xz 000600392.td-b3lyp_6-31g+(d).inp 000600392.td-b3lyp_6-31g+(d).log.xz

000600392.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600392.td-b3lyp_6-31+g(d).gjf (generated)

000600392.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600392.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600392.mol 000600392.PUBCHEM 000600392.mol (via Jmol)
000600397.b3lyp_6-31g(d).inp

000600397.b3lyp_6-31g(d).qchem.inp (generated)

000600397.b3lyp_6-31g(d).gjf (generated)

000600397.b3lyp_6-31g(d).firefly.inp (generated)

000600397.b3lyp_6-31g(d).smash.inp (generated)

000600397.b3lyp_6-31g(d).nwchem.inp (generated) 000600397.b3lyp_6-31g(d).log.xz 000600397.mol 000600397.PUBCHEM 000600397.mol (via Jmol)
000600400.b3lyp_6-31g(d).inp

000600400.b3lyp_6-31g(d).qchem.inp (generated)

000600400.b3lyp_6-31g(d).gjf (generated)

000600400.b3lyp_6-31g(d).firefly.inp (generated)

000600400.b3lyp_6-31g(d).smash.inp (generated)

000600400.b3lyp_6-31g(d).nwchem.inp (generated) 000600400.b3lyp_6-31g(d).log.xz 000600400.td-b3lyp_6-31g+(d).inp 000600400.td-b3lyp_6-31g+(d).log.xz

000600400.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600400.td-b3lyp_6-31+g(d).gjf (generated)

000600400.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600400.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600400.mol 000600400.PUBCHEM 000600400.mol (via Jmol)
000600401.b3lyp_6-31g(d).inp

000600401.b3lyp_6-31g(d).qchem.inp (generated)

000600401.b3lyp_6-31g(d).gjf (generated)

000600401.b3lyp_6-31g(d).firefly.inp (generated)

000600401.b3lyp_6-31g(d).smash.inp (generated)

000600401.b3lyp_6-31g(d).nwchem.inp (generated) 000600401.b3lyp_6-31g(d).log.xz 000600401.td-b3lyp_6-31g+(d).inp 000600401.td-b3lyp_6-31g+(d).log.xz

000600401.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600401.td-b3lyp_6-31+g(d).gjf (generated)

000600401.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600401.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600401.mol 000600401.PUBCHEM 000600401.mol (via Jmol)
000600402.b3lyp_6-31g(d).inp

000600402.b3lyp_6-31g(d).qchem.inp (generated)

000600402.b3lyp_6-31g(d).gjf (generated)

000600402.b3lyp_6-31g(d).firefly.inp (generated)

000600402.b3lyp_6-31g(d).smash.inp (generated)

000600402.b3lyp_6-31g(d).nwchem.inp (generated) 000600402.b3lyp_6-31g(d).log.xz 000600402.mol 000600402.PUBCHEM 000600402.mol (via Jmol)
000600403.b3lyp_6-31g(d).inp

000600403.b3lyp_6-31g(d).qchem.inp (generated)

000600403.b3lyp_6-31g(d).gjf (generated)

000600403.b3lyp_6-31g(d).firefly.inp (generated)

000600403.b3lyp_6-31g(d).smash.inp (generated)

000600403.b3lyp_6-31g(d).nwchem.inp (generated) 000600403.b3lyp_6-31g(d).log.xz 000600403.td-b3lyp_6-31g+(d).inp 000600403.td-b3lyp_6-31g+(d).log.xz

000600403.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600403.td-b3lyp_6-31+g(d).gjf (generated)

000600403.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600403.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600403.mol 000600403.PUBCHEM 000600403.mol (via Jmol)
000600404.b3lyp_6-31g(d).inp

000600404.b3lyp_6-31g(d).qchem.inp (generated)

000600404.b3lyp_6-31g(d).gjf (generated)

000600404.b3lyp_6-31g(d).firefly.inp (generated)

000600404.b3lyp_6-31g(d).smash.inp (generated)

000600404.b3lyp_6-31g(d).nwchem.inp (generated) 000600404.b3lyp_6-31g(d).log.xz 000600404.td-b3lyp_6-31g+(d).inp 000600404.td-b3lyp_6-31g+(d).log.xz

000600404.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600404.td-b3lyp_6-31+g(d).gjf (generated)

000600404.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600404.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600404.mol 000600404.PUBCHEM 000600404.mol (via Jmol)
000600406.b3lyp_6-31g(d).inp

000600406.b3lyp_6-31g(d).qchem.inp (generated)

000600406.b3lyp_6-31g(d).gjf (generated)

000600406.b3lyp_6-31g(d).firefly.inp (generated)

000600406.b3lyp_6-31g(d).smash.inp (generated)

000600406.b3lyp_6-31g(d).nwchem.inp (generated) 000600406.b3lyp_6-31g(d).log.xz 000600406.td-b3lyp_6-31g+(d).inp 000600406.td-b3lyp_6-31g+(d).log.xz

000600406.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600406.td-b3lyp_6-31+g(d).gjf (generated)

000600406.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600406.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600406.mol 000600406.PUBCHEM 000600406.mol (via Jmol)
000600407.b3lyp_6-31g(d).inp

000600407.b3lyp_6-31g(d).qchem.inp (generated)

000600407.b3lyp_6-31g(d).gjf (generated)

000600407.b3lyp_6-31g(d).firefly.inp (generated)

000600407.b3lyp_6-31g(d).smash.inp (generated)

000600407.b3lyp_6-31g(d).nwchem.inp (generated) 000600407.b3lyp_6-31g(d).log.xz 000600407.td-b3lyp_6-31g+(d).inp 000600407.td-b3lyp_6-31g+(d).log.xz

000600407.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600407.td-b3lyp_6-31+g(d).gjf (generated)

000600407.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600407.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600407.mol 000600407.PUBCHEM 000600407.mol (via Jmol)
000600408.b3lyp_6-31g(d).inp

000600408.b3lyp_6-31g(d).qchem.inp (generated)

000600408.b3lyp_6-31g(d).gjf (generated)

000600408.b3lyp_6-31g(d).firefly.inp (generated)

000600408.b3lyp_6-31g(d).smash.inp (generated)

000600408.b3lyp_6-31g(d).nwchem.inp (generated) 000600408.b3lyp_6-31g(d).log.xz 000600408.td-b3lyp_6-31g+(d).inp 000600408.td-b3lyp_6-31g+(d).log.xz

000600408.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600408.td-b3lyp_6-31+g(d).gjf (generated)

000600408.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600408.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600408.mol 000600408.PUBCHEM 000600408.mol (via Jmol)
000600409.b3lyp_6-31g(d).inp

000600409.b3lyp_6-31g(d).qchem.inp (generated)

000600409.b3lyp_6-31g(d).gjf (generated)

000600409.b3lyp_6-31g(d).firefly.inp (generated)

000600409.b3lyp_6-31g(d).smash.inp (generated)

000600409.b3lyp_6-31g(d).nwchem.inp (generated) 000600409.b3lyp_6-31g(d).log.xz 000600409.td-b3lyp_6-31g+(d).inp 000600409.td-b3lyp_6-31g+(d).log.xz

000600409.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600409.td-b3lyp_6-31+g(d).gjf (generated)

000600409.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600409.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600409.mol 000600409.PUBCHEM 000600409.mol (via Jmol)
000600415.b3lyp_6-31g(d).inp

000600415.b3lyp_6-31g(d).qchem.inp (generated)

000600415.b3lyp_6-31g(d).gjf (generated)

000600415.b3lyp_6-31g(d).firefly.inp (generated)

000600415.b3lyp_6-31g(d).smash.inp (generated)

000600415.b3lyp_6-31g(d).nwchem.inp (generated) 000600415.b3lyp_6-31g(d).log.xz 000600415.mol 000600415.PUBCHEM 000600415.mol (via Jmol)
000600416.b3lyp_6-31g(d).inp

000600416.b3lyp_6-31g(d).qchem.inp (generated)

000600416.b3lyp_6-31g(d).gjf (generated)

000600416.b3lyp_6-31g(d).firefly.inp (generated)

000600416.b3lyp_6-31g(d).smash.inp (generated)

000600416.b3lyp_6-31g(d).nwchem.inp (generated) 000600416.b3lyp_6-31g(d).log.xz 000600416.mol 000600416.PUBCHEM 000600416.mol (via Jmol)
000600417.b3lyp_6-31g(d).inp

000600417.b3lyp_6-31g(d).qchem.inp (generated)

000600417.b3lyp_6-31g(d).gjf (generated)

000600417.b3lyp_6-31g(d).firefly.inp (generated)

000600417.b3lyp_6-31g(d).smash.inp (generated)

000600417.b3lyp_6-31g(d).nwchem.inp (generated) 000600417.b3lyp_6-31g(d).log.xz 000600417.mol 000600417.PUBCHEM 000600417.mol (via Jmol)
000600419.b3lyp_6-31g(d).inp

000600419.b3lyp_6-31g(d).qchem.inp (generated)

000600419.b3lyp_6-31g(d).gjf (generated)

000600419.b3lyp_6-31g(d).firefly.inp (generated)

000600419.b3lyp_6-31g(d).smash.inp (generated)

000600419.b3lyp_6-31g(d).nwchem.inp (generated) 000600419.b3lyp_6-31g(d).log.xz 000600419.mol 000600419.PUBCHEM 000600419.mol (via Jmol)
000600422.b3lyp_6-31g(d).inp

000600422.b3lyp_6-31g(d).qchem.inp (generated)

000600422.b3lyp_6-31g(d).gjf (generated)

000600422.b3lyp_6-31g(d).firefly.inp (generated)

000600422.b3lyp_6-31g(d).smash.inp (generated)

000600422.b3lyp_6-31g(d).nwchem.inp (generated) 000600422.b3lyp_6-31g(d).log.xz 000600422.mol 000600422.PUBCHEM 000600422.mol (via Jmol)
000600423.b3lyp_6-31g(d).inp

000600423.b3lyp_6-31g(d).qchem.inp (generated)

000600423.b3lyp_6-31g(d).gjf (generated)

000600423.b3lyp_6-31g(d).firefly.inp (generated)

000600423.b3lyp_6-31g(d).smash.inp (generated)

000600423.b3lyp_6-31g(d).nwchem.inp (generated) 000600423.b3lyp_6-31g(d).log.xz 000600423.mol 000600423.PUBCHEM 000600423.mol (via Jmol)
000600424.b3lyp_6-31g(d).inp

000600424.b3lyp_6-31g(d).qchem.inp (generated)

000600424.b3lyp_6-31g(d).gjf (generated)

000600424.b3lyp_6-31g(d).firefly.inp (generated)

000600424.b3lyp_6-31g(d).smash.inp (generated)

000600424.b3lyp_6-31g(d).nwchem.inp (generated) 000600424.b3lyp_6-31g(d).log.xz 000600424.mol 000600424.PUBCHEM 000600424.mol (via Jmol)
000600426.b3lyp_6-31g(d).inp

000600426.b3lyp_6-31g(d).qchem.inp (generated)

000600426.b3lyp_6-31g(d).gjf (generated)

000600426.b3lyp_6-31g(d).firefly.inp (generated)

000600426.b3lyp_6-31g(d).smash.inp (generated)

000600426.b3lyp_6-31g(d).nwchem.inp (generated) 000600426.b3lyp_6-31g(d).log.xz 000600426.mol 000600426.PUBCHEM 000600426.mol (via Jmol)
000600427.b3lyp_6-31g(d).inp

000600427.b3lyp_6-31g(d).qchem.inp (generated)

000600427.b3lyp_6-31g(d).gjf (generated)

000600427.b3lyp_6-31g(d).firefly.inp (generated)

000600427.b3lyp_6-31g(d).smash.inp (generated)

000600427.b3lyp_6-31g(d).nwchem.inp (generated) 000600427.b3lyp_6-31g(d).log.xz 000600427.td-b3lyp_6-31g+(d).inp 000600427.td-b3lyp_6-31g+(d).log.xz

000600427.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600427.td-b3lyp_6-31+g(d).gjf (generated)

000600427.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600427.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600427.mol 000600427.PUBCHEM 000600427.mol (via Jmol)
000600428.b3lyp_6-31g(d).inp

000600428.b3lyp_6-31g(d).qchem.inp (generated)

000600428.b3lyp_6-31g(d).gjf (generated)

000600428.b3lyp_6-31g(d).firefly.inp (generated)

000600428.b3lyp_6-31g(d).smash.inp (generated)

000600428.b3lyp_6-31g(d).nwchem.inp (generated) 000600428.b3lyp_6-31g(d).log.xz 000600428.td-b3lyp_6-31g+(d).inp 000600428.td-b3lyp_6-31g+(d).log.xz

000600428.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600428.td-b3lyp_6-31+g(d).gjf (generated)

000600428.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600428.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600428.mol 000600428.PUBCHEM 000600428.mol (via Jmol)
000600470.b3lyp_6-31g(d).inp

000600470.b3lyp_6-31g(d).qchem.inp (generated)

000600470.b3lyp_6-31g(d).gjf (generated)

000600470.b3lyp_6-31g(d).firefly.inp (generated)

000600470.b3lyp_6-31g(d).smash.inp (generated)

000600470.b3lyp_6-31g(d).nwchem.inp (generated) 000600470.b3lyp_6-31g(d).log.xz 000600470.td-b3lyp_6-31g+(d).inp 000600470.td-b3lyp_6-31g+(d).log.xz

000600470.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600470.td-b3lyp_6-31+g(d).gjf (generated)

000600470.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600470.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600470.mol 000600470.PUBCHEM 000600470.mol (via Jmol)
000600472.b3lyp_6-31g(d).inp

000600472.b3lyp_6-31g(d).qchem.inp (generated)

000600472.b3lyp_6-31g(d).gjf (generated)

000600472.b3lyp_6-31g(d).firefly.inp (generated)

000600472.b3lyp_6-31g(d).smash.inp (generated)

000600472.b3lyp_6-31g(d).nwchem.inp (generated) 000600472.b3lyp_6-31g(d).log.xz 000600472.td-b3lyp_6-31g+(d).inp 000600472.td-b3lyp_6-31g+(d).log.xz

000600472.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600472.td-b3lyp_6-31+g(d).gjf (generated)

000600472.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600472.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600472.mol 000600472.PUBCHEM 000600472.mol (via Jmol)
000600475.b3lyp_6-31g(d).inp

000600475.b3lyp_6-31g(d).qchem.inp (generated)

000600475.b3lyp_6-31g(d).gjf (generated)

000600475.b3lyp_6-31g(d).firefly.inp (generated)

000600475.b3lyp_6-31g(d).smash.inp (generated)

000600475.b3lyp_6-31g(d).nwchem.inp (generated) 000600475.b3lyp_6-31g(d).log.xz 000600475.td-b3lyp_6-31g+(d).inp 000600475.td-b3lyp_6-31g+(d).log.xz

000600475.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600475.td-b3lyp_6-31+g(d).gjf (generated)

000600475.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600475.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600475.mol 000600475.PUBCHEM 000600475.mol (via Jmol)
000600482.b3lyp_6-31g(d).inp

000600482.b3lyp_6-31g(d).qchem.inp (generated)

000600482.b3lyp_6-31g(d).gjf (generated)

000600482.b3lyp_6-31g(d).firefly.inp (generated)

000600482.b3lyp_6-31g(d).smash.inp (generated)

000600482.b3lyp_6-31g(d).nwchem.inp (generated) 000600482.b3lyp_6-31g(d).log.xz 000600482.td-b3lyp_6-31g+(d).inp 000600482.td-b3lyp_6-31g+(d).log.xz

000600482.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600482.td-b3lyp_6-31+g(d).gjf (generated)

000600482.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600482.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600482.mol 000600482.PUBCHEM 000600482.mol (via Jmol)
000600484.b3lyp_6-31g(d).inp

000600484.b3lyp_6-31g(d).qchem.inp (generated)

000600484.b3lyp_6-31g(d).gjf (generated)

000600484.b3lyp_6-31g(d).firefly.inp (generated)

000600484.b3lyp_6-31g(d).smash.inp (generated)

000600484.b3lyp_6-31g(d).nwchem.inp (generated) 000600484.b3lyp_6-31g(d).log.xz 000600484.mol 000600484.PUBCHEM 000600484.mol (via Jmol)
000600495.b3lyp_6-31g(d).inp

000600495.b3lyp_6-31g(d).qchem.inp (generated)

000600495.b3lyp_6-31g(d).gjf (generated)

000600495.b3lyp_6-31g(d).firefly.inp (generated)

000600495.b3lyp_6-31g(d).smash.inp (generated)

000600495.b3lyp_6-31g(d).nwchem.inp (generated) 000600495.b3lyp_6-31g(d).log.xz 000600495.mol 000600495.PUBCHEM 000600495.mol (via Jmol)
000600496.b3lyp_6-31g(d).inp

000600496.b3lyp_6-31g(d).qchem.inp (generated)

000600496.b3lyp_6-31g(d).gjf (generated)

000600496.b3lyp_6-31g(d).firefly.inp (generated)

000600496.b3lyp_6-31g(d).smash.inp (generated)

000600496.b3lyp_6-31g(d).nwchem.inp (generated) 000600496.b3lyp_6-31g(d).log.xz 000600496.td-b3lyp_6-31g+(d).inp 000600496.td-b3lyp_6-31g+(d).log.xz

000600496.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600496.td-b3lyp_6-31+g(d).gjf (generated)

000600496.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600496.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600496.mol 000600496.PUBCHEM 000600496.mol (via Jmol)
000600503.b3lyp_6-31g(d).inp

000600503.b3lyp_6-31g(d).qchem.inp (generated)

000600503.b3lyp_6-31g(d).gjf (generated)

000600503.b3lyp_6-31g(d).firefly.inp (generated)

000600503.b3lyp_6-31g(d).smash.inp (generated)

000600503.b3lyp_6-31g(d).nwchem.inp (generated) 000600503.b3lyp_6-31g(d).log.xz 000600503.mol 000600503.PUBCHEM 000600503.mol (via Jmol)
000600517.b3lyp_6-31g(d).inp

000600517.b3lyp_6-31g(d).qchem.inp (generated)

000600517.b3lyp_6-31g(d).gjf (generated)

000600517.b3lyp_6-31g(d).firefly.inp (generated)

000600517.b3lyp_6-31g(d).smash.inp (generated)

000600517.b3lyp_6-31g(d).nwchem.inp (generated) 000600517.b3lyp_6-31g(d).log.xz 000600517.td-b3lyp_6-31g+(d).inp 000600517.td-b3lyp_6-31g+(d).log.xz

000600517.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600517.td-b3lyp_6-31+g(d).gjf (generated)

000600517.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600517.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600517.mol 000600517.PUBCHEM 000600517.mol (via Jmol)
000600528.b3lyp_6-31g(d).inp

000600528.b3lyp_6-31g(d).qchem.inp (generated)

000600528.b3lyp_6-31g(d).gjf (generated)

000600528.b3lyp_6-31g(d).firefly.inp (generated)

000600528.b3lyp_6-31g(d).smash.inp (generated)

000600528.b3lyp_6-31g(d).nwchem.inp (generated) 000600528.b3lyp_6-31g(d).log.xz 000600528.td-b3lyp_6-31g+(d).inp 000600528.td-b3lyp_6-31g+(d).log.xz

000600528.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600528.td-b3lyp_6-31+g(d).gjf (generated)

000600528.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600528.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600528.mol 000600528.PUBCHEM 000600528.mol (via Jmol)
000600531.b3lyp_6-31g(d).inp

000600531.b3lyp_6-31g(d).qchem.inp (generated)

000600531.b3lyp_6-31g(d).gjf (generated)

000600531.b3lyp_6-31g(d).firefly.inp (generated)

000600531.b3lyp_6-31g(d).smash.inp (generated)

000600531.b3lyp_6-31g(d).nwchem.inp (generated) 000600531.b3lyp_6-31g(d).log.xz 000600531.td-b3lyp_6-31g+(d).inp 000600531.td-b3lyp_6-31g+(d).log.xz

000600531.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600531.td-b3lyp_6-31+g(d).gjf (generated)

000600531.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600531.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600531.mol 000600531.PUBCHEM 000600531.mol (via Jmol)
000600533.b3lyp_6-31g(d).inp

000600533.b3lyp_6-31g(d).qchem.inp (generated)

000600533.b3lyp_6-31g(d).gjf (generated)

000600533.b3lyp_6-31g(d).firefly.inp (generated)

000600533.b3lyp_6-31g(d).smash.inp (generated)

000600533.b3lyp_6-31g(d).nwchem.inp (generated) 000600533.b3lyp_6-31g(d).log.xz 000600533.td-b3lyp_6-31g+(d).inp 000600533.td-b3lyp_6-31g+(d).log.xz

000600533.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600533.td-b3lyp_6-31+g(d).gjf (generated)

000600533.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600533.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600533.mol 000600533.PUBCHEM 000600533.mol (via Jmol)
000600539.b3lyp_6-31g(d).inp

000600539.b3lyp_6-31g(d).qchem.inp (generated)

000600539.b3lyp_6-31g(d).gjf (generated)

000600539.b3lyp_6-31g(d).firefly.inp (generated)

000600539.b3lyp_6-31g(d).smash.inp (generated)

000600539.b3lyp_6-31g(d).nwchem.inp (generated) 000600539.b3lyp_6-31g(d).log.xz 000600539.td-b3lyp_6-31g+(d).inp 000600539.td-b3lyp_6-31g+(d).log.xz

000600539.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600539.td-b3lyp_6-31+g(d).gjf (generated)

000600539.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600539.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600539.mol 000600539.PUBCHEM 000600539.mol (via Jmol)
000600540.b3lyp_6-31g(d).inp

000600540.b3lyp_6-31g(d).qchem.inp (generated)

000600540.b3lyp_6-31g(d).gjf (generated)

000600540.b3lyp_6-31g(d).firefly.inp (generated)

000600540.b3lyp_6-31g(d).smash.inp (generated)

000600540.b3lyp_6-31g(d).nwchem.inp (generated) 000600540.b3lyp_6-31g(d).log.xz 000600540.mol 000600540.PUBCHEM 000600540.mol (via Jmol)
000600541.b3lyp_6-31g(d).inp

000600541.b3lyp_6-31g(d).qchem.inp (generated)

000600541.b3lyp_6-31g(d).gjf (generated)

000600541.b3lyp_6-31g(d).firefly.inp (generated)

000600541.b3lyp_6-31g(d).smash.inp (generated)

000600541.b3lyp_6-31g(d).nwchem.inp (generated) 000600541.b3lyp_6-31g(d).log.xz 000600541.td-b3lyp_6-31g+(d).inp 000600541.td-b3lyp_6-31g+(d).log.xz

000600541.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600541.td-b3lyp_6-31+g(d).gjf (generated)

000600541.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600541.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600541.mol 000600541.PUBCHEM 000600541.mol (via Jmol)
000600555.b3lyp_6-31g(d).inp

000600555.b3lyp_6-31g(d).qchem.inp (generated)

000600555.b3lyp_6-31g(d).gjf (generated)

000600555.b3lyp_6-31g(d).firefly.inp (generated)

000600555.b3lyp_6-31g(d).smash.inp (generated)

000600555.b3lyp_6-31g(d).nwchem.inp (generated) 000600555.b3lyp_6-31g(d).log.xz 000600555.td-b3lyp_6-31g+(d).inp 000600555.td-b3lyp_6-31g+(d).log.xz

000600555.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600555.td-b3lyp_6-31+g(d).gjf (generated)

000600555.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600555.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600555.mol 000600555.PUBCHEM 000600555.mol (via Jmol)
000600557.b3lyp_6-31g(d).inp

000600557.b3lyp_6-31g(d).qchem.inp (generated)

000600557.b3lyp_6-31g(d).gjf (generated)

000600557.b3lyp_6-31g(d).firefly.inp (generated)

000600557.b3lyp_6-31g(d).smash.inp (generated)

000600557.b3lyp_6-31g(d).nwchem.inp (generated) 000600557.b3lyp_6-31g(d).log.xz 000600557.td-b3lyp_6-31g+(d).inp 000600557.td-b3lyp_6-31g+(d).log.xz

000600557.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600557.td-b3lyp_6-31+g(d).gjf (generated)

000600557.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600557.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600557.mol 000600557.PUBCHEM 000600557.mol (via Jmol)
000600568.b3lyp_6-31g(d).inp

000600568.b3lyp_6-31g(d).qchem.inp (generated)

000600568.b3lyp_6-31g(d).gjf (generated)

000600568.b3lyp_6-31g(d).firefly.inp (generated)

000600568.b3lyp_6-31g(d).smash.inp (generated)

000600568.b3lyp_6-31g(d).nwchem.inp (generated) 000600568.b3lyp_6-31g(d).log.xz 000600568.td-b3lyp_6-31g+(d).inp 000600568.td-b3lyp_6-31g+(d).log.xz

000600568.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600568.td-b3lyp_6-31+g(d).gjf (generated)

000600568.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600568.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600568.mol 000600568.PUBCHEM 000600568.mol (via Jmol)
000600570.b3lyp_6-31g(d).inp

000600570.b3lyp_6-31g(d).qchem.inp (generated)

000600570.b3lyp_6-31g(d).gjf (generated)

000600570.b3lyp_6-31g(d).firefly.inp (generated)

000600570.b3lyp_6-31g(d).smash.inp (generated)

000600570.b3lyp_6-31g(d).nwchem.inp (generated) 000600570.b3lyp_6-31g(d).log.xz 000600570.td-b3lyp_6-31g+(d).inp 000600570.td-b3lyp_6-31g+(d).log.xz

000600570.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600570.td-b3lyp_6-31+g(d).gjf (generated)

000600570.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600570.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600570.mol 000600570.PUBCHEM 000600570.mol (via Jmol)
000600573.b3lyp_6-31g(d).inp

000600573.b3lyp_6-31g(d).qchem.inp (generated)

000600573.b3lyp_6-31g(d).gjf (generated)

000600573.b3lyp_6-31g(d).firefly.inp (generated)

000600573.b3lyp_6-31g(d).smash.inp (generated)

000600573.b3lyp_6-31g(d).nwchem.inp (generated) 000600573.b3lyp_6-31g(d).log.xz 000600573.td-b3lyp_6-31g+(d).inp 000600573.td-b3lyp_6-31g+(d).log.xz

000600573.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600573.td-b3lyp_6-31+g(d).gjf (generated)

000600573.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600573.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600573.mol 000600573.PUBCHEM 000600573.mol (via Jmol)
000600578.b3lyp_6-31g(d).inp

000600578.b3lyp_6-31g(d).qchem.inp (generated)

000600578.b3lyp_6-31g(d).gjf (generated)

000600578.b3lyp_6-31g(d).firefly.inp (generated)

000600578.b3lyp_6-31g(d).smash.inp (generated)

000600578.b3lyp_6-31g(d).nwchem.inp (generated) 000600578.b3lyp_6-31g(d).log.xz 000600578.mol 000600578.PUBCHEM 000600578.mol (via Jmol)
000600580.b3lyp_6-31g(d).inp

000600580.b3lyp_6-31g(d).qchem.inp (generated)

000600580.b3lyp_6-31g(d).gjf (generated)

000600580.b3lyp_6-31g(d).firefly.inp (generated)

000600580.b3lyp_6-31g(d).smash.inp (generated)

000600580.b3lyp_6-31g(d).nwchem.inp (generated) 000600580.b3lyp_6-31g(d).log.xz 000600580.td-b3lyp_6-31g+(d).inp 000600580.td-b3lyp_6-31g+(d).log.xz

000600580.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600580.td-b3lyp_6-31+g(d).gjf (generated)

000600580.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600580.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600580.mol 000600580.PUBCHEM 000600580.mol (via Jmol)
000600581.b3lyp_6-31g(d).inp

000600581.b3lyp_6-31g(d).qchem.inp (generated)

000600581.b3lyp_6-31g(d).gjf (generated)

000600581.b3lyp_6-31g(d).firefly.inp (generated)

000600581.b3lyp_6-31g(d).smash.inp (generated)

000600581.b3lyp_6-31g(d).nwchem.inp (generated) 000600581.b3lyp_6-31g(d).log.xz 000600581.td-b3lyp_6-31g+(d).inp 000600581.td-b3lyp_6-31g+(d).log.xz

000600581.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600581.td-b3lyp_6-31+g(d).gjf (generated)

000600581.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600581.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600581.mol 000600581.PUBCHEM 000600581.mol (via Jmol)
000600584.b3lyp_6-31g(d).inp

000600584.b3lyp_6-31g(d).qchem.inp (generated)

000600584.b3lyp_6-31g(d).gjf (generated)

000600584.b3lyp_6-31g(d).firefly.inp (generated)

000600584.b3lyp_6-31g(d).smash.inp (generated)

000600584.b3lyp_6-31g(d).nwchem.inp (generated) 000600584.b3lyp_6-31g(d).log.xz 000600584.td-b3lyp_6-31g+(d).inp 000600584.td-b3lyp_6-31g+(d).log.xz

000600584.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600584.td-b3lyp_6-31+g(d).gjf (generated)

000600584.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600584.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600584.mol 000600584.PUBCHEM 000600584.mol (via Jmol)
000600590.b3lyp_6-31g(d).inp

000600590.b3lyp_6-31g(d).qchem.inp (generated)

000600590.b3lyp_6-31g(d).gjf (generated)

000600590.b3lyp_6-31g(d).firefly.inp (generated)

000600590.b3lyp_6-31g(d).smash.inp (generated)

000600590.b3lyp_6-31g(d).nwchem.inp (generated) 000600590.b3lyp_6-31g(d).log.xz 000600590.td-b3lyp_6-31g+(d).inp 000600590.td-b3lyp_6-31g+(d).log.xz

000600590.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600590.td-b3lyp_6-31+g(d).gjf (generated)

000600590.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600590.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600590.mol 000600590.PUBCHEM 000600590.mol (via Jmol)
000600591.b3lyp_6-31g(d).inp

000600591.b3lyp_6-31g(d).qchem.inp (generated)

000600591.b3lyp_6-31g(d).gjf (generated)

000600591.b3lyp_6-31g(d).firefly.inp (generated)

000600591.b3lyp_6-31g(d).smash.inp (generated)

000600591.b3lyp_6-31g(d).nwchem.inp (generated) 000600591.b3lyp_6-31g(d).log.xz 000600591.td-b3lyp_6-31g+(d).inp 000600591.td-b3lyp_6-31g+(d).log.xz

000600591.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600591.td-b3lyp_6-31+g(d).gjf (generated)

000600591.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600591.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600591.mol 000600591.PUBCHEM 000600591.mol (via Jmol)
000600601.b3lyp_6-31g(d).inp

000600601.b3lyp_6-31g(d).qchem.inp (generated)

000600601.b3lyp_6-31g(d).gjf (generated)

000600601.b3lyp_6-31g(d).firefly.inp (generated)

000600601.b3lyp_6-31g(d).smash.inp (generated)

000600601.b3lyp_6-31g(d).nwchem.inp (generated) 000600601.b3lyp_6-31g(d).log.xz 000600601.td-b3lyp_6-31g+(d).inp 000600601.td-b3lyp_6-31g+(d).log.xz

000600601.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600601.td-b3lyp_6-31+g(d).gjf (generated)

000600601.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600601.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600601.mol 000600601.PUBCHEM 000600601.mol (via Jmol)
000600604.b3lyp_6-31g(d).inp

000600604.b3lyp_6-31g(d).qchem.inp (generated)

000600604.b3lyp_6-31g(d).gjf (generated)

000600604.b3lyp_6-31g(d).firefly.inp (generated)

000600604.b3lyp_6-31g(d).smash.inp (generated)

000600604.b3lyp_6-31g(d).nwchem.inp (generated) 000600604.b3lyp_6-31g(d).log.xz 000600604.td-b3lyp_6-31g+(d).inp 000600604.td-b3lyp_6-31g+(d).log.xz

000600604.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600604.td-b3lyp_6-31+g(d).gjf (generated)

000600604.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600604.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600604.mol 000600604.PUBCHEM 000600604.mol (via Jmol)
000600605.b3lyp_6-31g(d).inp

000600605.b3lyp_6-31g(d).qchem.inp (generated)

000600605.b3lyp_6-31g(d).gjf (generated)

000600605.b3lyp_6-31g(d).firefly.inp (generated)

000600605.b3lyp_6-31g(d).smash.inp (generated)

000600605.b3lyp_6-31g(d).nwchem.inp (generated) 000600605.b3lyp_6-31g(d).log.xz 000600605.td-b3lyp_6-31g+(d).inp 000600605.td-b3lyp_6-31g+(d).log.xz

000600605.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600605.td-b3lyp_6-31+g(d).gjf (generated)

000600605.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600605.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600605.mol 000600605.PUBCHEM 000600605.mol (via Jmol)
000600617.b3lyp_6-31g(d).inp

000600617.b3lyp_6-31g(d).qchem.inp (generated)

000600617.b3lyp_6-31g(d).gjf (generated)

000600617.b3lyp_6-31g(d).firefly.inp (generated)

000600617.b3lyp_6-31g(d).smash.inp (generated)

000600617.b3lyp_6-31g(d).nwchem.inp (generated) 000600617.b3lyp_6-31g(d).log.xz 000600617.td-b3lyp_6-31g+(d).inp 000600617.td-b3lyp_6-31g+(d).log.xz

000600617.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600617.td-b3lyp_6-31+g(d).gjf (generated)

000600617.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600617.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600617.mol 000600617.PUBCHEM 000600617.mol (via Jmol)
000600621.b3lyp_6-31g(d).inp

000600621.b3lyp_6-31g(d).qchem.inp (generated)

000600621.b3lyp_6-31g(d).gjf (generated)

000600621.b3lyp_6-31g(d).firefly.inp (generated)

000600621.b3lyp_6-31g(d).smash.inp (generated)

000600621.b3lyp_6-31g(d).nwchem.inp (generated) 000600621.b3lyp_6-31g(d).log.xz 000600621.td-b3lyp_6-31g+(d).inp 000600621.td-b3lyp_6-31g+(d).log.xz

000600621.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600621.td-b3lyp_6-31+g(d).gjf (generated)

000600621.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600621.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600621.mol 000600621.PUBCHEM 000600621.mol (via Jmol)
000600622.b3lyp_6-31g(d).inp

000600622.b3lyp_6-31g(d).qchem.inp (generated)

000600622.b3lyp_6-31g(d).gjf (generated)

000600622.b3lyp_6-31g(d).firefly.inp (generated)

000600622.b3lyp_6-31g(d).smash.inp (generated)

000600622.b3lyp_6-31g(d).nwchem.inp (generated) 000600622.b3lyp_6-31g(d).log.xz 000600622.td-b3lyp_6-31g+(d).inp 000600622.td-b3lyp_6-31g+(d).log.xz

000600622.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600622.td-b3lyp_6-31+g(d).gjf (generated)

000600622.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600622.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600622.mol 000600622.PUBCHEM 000600622.mol (via Jmol)
000600623.b3lyp_6-31g(d).inp

000600623.b3lyp_6-31g(d).qchem.inp (generated)

000600623.b3lyp_6-31g(d).gjf (generated)

000600623.b3lyp_6-31g(d).firefly.inp (generated)

000600623.b3lyp_6-31g(d).smash.inp (generated)

000600623.b3lyp_6-31g(d).nwchem.inp (generated) 000600623.b3lyp_6-31g(d).log.xz 000600623.td-b3lyp_6-31g+(d).inp 000600623.td-b3lyp_6-31g+(d).log.xz

000600623.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600623.td-b3lyp_6-31+g(d).gjf (generated)

000600623.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600623.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600623.mol 000600623.PUBCHEM 000600623.mol (via Jmol)
000600624.b3lyp_6-31g(d).inp

000600624.b3lyp_6-31g(d).qchem.inp (generated)

000600624.b3lyp_6-31g(d).gjf (generated)

000600624.b3lyp_6-31g(d).firefly.inp (generated)

000600624.b3lyp_6-31g(d).smash.inp (generated)

000600624.b3lyp_6-31g(d).nwchem.inp (generated) 000600624.b3lyp_6-31g(d).log.xz 000600624.td-b3lyp_6-31g+(d).inp 000600624.td-b3lyp_6-31g+(d).log.xz

000600624.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600624.td-b3lyp_6-31+g(d).gjf (generated)

000600624.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600624.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600624.mol 000600624.PUBCHEM 000600624.mol (via Jmol)
000600631.b3lyp_6-31g(d).inp

000600631.b3lyp_6-31g(d).qchem.inp (generated)

000600631.b3lyp_6-31g(d).gjf (generated)

000600631.b3lyp_6-31g(d).firefly.inp (generated)

000600631.b3lyp_6-31g(d).smash.inp (generated)

000600631.b3lyp_6-31g(d).nwchem.inp (generated) 000600631.b3lyp_6-31g(d).log.xz 000600631.td-b3lyp_6-31g+(d).inp 000600631.td-b3lyp_6-31g+(d).log.xz

000600631.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600631.td-b3lyp_6-31+g(d).gjf (generated)

000600631.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600631.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600631.mol 000600631.PUBCHEM 000600631.mol (via Jmol)
000600633.b3lyp_6-31g(d).inp

000600633.b3lyp_6-31g(d).qchem.inp (generated)

000600633.b3lyp_6-31g(d).gjf (generated)

000600633.b3lyp_6-31g(d).firefly.inp (generated)

000600633.b3lyp_6-31g(d).smash.inp (generated)

000600633.b3lyp_6-31g(d).nwchem.inp (generated) 000600633.b3lyp_6-31g(d).log.xz 000600633.td-b3lyp_6-31g+(d).inp 000600633.td-b3lyp_6-31g+(d).log.xz

000600633.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600633.td-b3lyp_6-31+g(d).gjf (generated)

000600633.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600633.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600633.mol 000600633.PUBCHEM 000600633.mol (via Jmol)
000600635.b3lyp_6-31g(d).inp

000600635.b3lyp_6-31g(d).qchem.inp (generated)

000600635.b3lyp_6-31g(d).gjf (generated)

000600635.b3lyp_6-31g(d).firefly.inp (generated)

000600635.b3lyp_6-31g(d).smash.inp (generated)

000600635.b3lyp_6-31g(d).nwchem.inp (generated) 000600635.b3lyp_6-31g(d).log.xz 000600635.td-b3lyp_6-31g+(d).inp 000600635.td-b3lyp_6-31g+(d).log.xz

000600635.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600635.td-b3lyp_6-31+g(d).gjf (generated)

000600635.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600635.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600635.mol 000600635.PUBCHEM 000600635.mol (via Jmol)
000600637.b3lyp_6-31g(d).inp

000600637.b3lyp_6-31g(d).qchem.inp (generated)

000600637.b3lyp_6-31g(d).gjf (generated)

000600637.b3lyp_6-31g(d).firefly.inp (generated)

000600637.b3lyp_6-31g(d).smash.inp (generated)

000600637.b3lyp_6-31g(d).nwchem.inp (generated) 000600637.b3lyp_6-31g(d).log.xz 000600637.td-b3lyp_6-31g+(d).inp 000600637.td-b3lyp_6-31g+(d).log.xz

000600637.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600637.td-b3lyp_6-31+g(d).gjf (generated)

000600637.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600637.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600637.mol 000600637.PUBCHEM 000600637.mol (via Jmol)
000600639.b3lyp_6-31g(d).inp

000600639.b3lyp_6-31g(d).qchem.inp (generated)

000600639.b3lyp_6-31g(d).gjf (generated)

000600639.b3lyp_6-31g(d).firefly.inp (generated)

000600639.b3lyp_6-31g(d).smash.inp (generated)

000600639.b3lyp_6-31g(d).nwchem.inp (generated) 000600639.b3lyp_6-31g(d).log.xz 000600639.td-b3lyp_6-31g+(d).inp 000600639.td-b3lyp_6-31g+(d).log.xz

000600639.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600639.td-b3lyp_6-31+g(d).gjf (generated)

000600639.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600639.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600639.mol 000600639.PUBCHEM 000600639.mol (via Jmol)
000600641.b3lyp_6-31g(d).inp

000600641.b3lyp_6-31g(d).qchem.inp (generated)

000600641.b3lyp_6-31g(d).gjf (generated)

000600641.b3lyp_6-31g(d).firefly.inp (generated)

000600641.b3lyp_6-31g(d).smash.inp (generated)

000600641.b3lyp_6-31g(d).nwchem.inp (generated) 000600641.b3lyp_6-31g(d).log.xz 000600641.td-b3lyp_6-31g+(d).inp 000600641.td-b3lyp_6-31g+(d).log.xz

000600641.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600641.td-b3lyp_6-31+g(d).gjf (generated)

000600641.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600641.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600641.mol 000600641.PUBCHEM 000600641.mol (via Jmol)
000600645.b3lyp_6-31g(d).inp

000600645.b3lyp_6-31g(d).qchem.inp (generated)

000600645.b3lyp_6-31g(d).gjf (generated)

000600645.b3lyp_6-31g(d).firefly.inp (generated)

000600645.b3lyp_6-31g(d).smash.inp (generated)

000600645.b3lyp_6-31g(d).nwchem.inp (generated) 000600645.b3lyp_6-31g(d).log.xz 000600645.td-b3lyp_6-31g+(d).inp 000600645.td-b3lyp_6-31g+(d).log.xz

000600645.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600645.td-b3lyp_6-31+g(d).gjf (generated)

000600645.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600645.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600645.mol 000600645.PUBCHEM 000600645.mol (via Jmol)
000600651.b3lyp_6-31g(d).inp

000600651.b3lyp_6-31g(d).qchem.inp (generated)

000600651.b3lyp_6-31g(d).gjf (generated)

000600651.b3lyp_6-31g(d).firefly.inp (generated)

000600651.b3lyp_6-31g(d).smash.inp (generated)

000600651.b3lyp_6-31g(d).nwchem.inp (generated) 000600651.b3lyp_6-31g(d).log.xz 000600651.mol 000600651.PUBCHEM 000600651.mol (via Jmol)
000600652.b3lyp_6-31g(d).inp

000600652.b3lyp_6-31g(d).qchem.inp (generated)

000600652.b3lyp_6-31g(d).gjf (generated)

000600652.b3lyp_6-31g(d).firefly.inp (generated)

000600652.b3lyp_6-31g(d).smash.inp (generated)

000600652.b3lyp_6-31g(d).nwchem.inp (generated) 000600652.b3lyp_6-31g(d).log.xz 000600652.td-b3lyp_6-31g+(d).inp 000600652.td-b3lyp_6-31g+(d).log.xz

000600652.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600652.td-b3lyp_6-31+g(d).gjf (generated)

000600652.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600652.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600652.mol 000600652.PUBCHEM 000600652.mol (via Jmol)
000600673.b3lyp_6-31g(d).inp

000600673.b3lyp_6-31g(d).qchem.inp (generated)

000600673.b3lyp_6-31g(d).gjf (generated)

000600673.b3lyp_6-31g(d).firefly.inp (generated)

000600673.b3lyp_6-31g(d).smash.inp (generated)

000600673.b3lyp_6-31g(d).nwchem.inp (generated) 000600673.b3lyp_6-31g(d).log.xz 000600673.td-b3lyp_6-31g+(d).inp 000600673.td-b3lyp_6-31g+(d).log.xz

000600673.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600673.td-b3lyp_6-31+g(d).gjf (generated)

000600673.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600673.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600673.mol 000600673.PUBCHEM 000600673.mol (via Jmol)
000600675.b3lyp_6-31g(d).inp

000600675.b3lyp_6-31g(d).qchem.inp (generated)

000600675.b3lyp_6-31g(d).gjf (generated)

000600675.b3lyp_6-31g(d).firefly.inp (generated)

000600675.b3lyp_6-31g(d).smash.inp (generated)

000600675.b3lyp_6-31g(d).nwchem.inp (generated) 000600675.b3lyp_6-31g(d).log.xz 000600675.mol 000600675.PUBCHEM 000600675.mol (via Jmol)
000600677.b3lyp_6-31g(d).inp

000600677.b3lyp_6-31g(d).qchem.inp (generated)

000600677.b3lyp_6-31g(d).gjf (generated)

000600677.b3lyp_6-31g(d).firefly.inp (generated)

000600677.b3lyp_6-31g(d).smash.inp (generated)

000600677.b3lyp_6-31g(d).nwchem.inp (generated) 000600677.b3lyp_6-31g(d).log.xz 000600677.td-b3lyp_6-31g+(d).inp 000600677.td-b3lyp_6-31g+(d).log.xz

000600677.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600677.td-b3lyp_6-31+g(d).gjf (generated)

000600677.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600677.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600677.mol 000600677.PUBCHEM 000600677.mol (via Jmol)
000600683.b3lyp_6-31g(d).inp

000600683.b3lyp_6-31g(d).qchem.inp (generated)

000600683.b3lyp_6-31g(d).gjf (generated)

000600683.b3lyp_6-31g(d).firefly.inp (generated)

000600683.b3lyp_6-31g(d).smash.inp (generated)

000600683.b3lyp_6-31g(d).nwchem.inp (generated) 000600683.b3lyp_6-31g(d).log.xz 000600683.td-b3lyp_6-31g+(d).inp 000600683.td-b3lyp_6-31g+(d).log.xz

000600683.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600683.td-b3lyp_6-31+g(d).gjf (generated)

000600683.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600683.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600683.mol 000600683.PUBCHEM 000600683.mol (via Jmol)
000600693.b3lyp_6-31g(d).inp

000600693.b3lyp_6-31g(d).qchem.inp (generated)

000600693.b3lyp_6-31g(d).gjf (generated)

000600693.b3lyp_6-31g(d).firefly.inp (generated)

000600693.b3lyp_6-31g(d).smash.inp (generated)

000600693.b3lyp_6-31g(d).nwchem.inp (generated) 000600693.b3lyp_6-31g(d).log.xz 000600693.td-b3lyp_6-31g+(d).inp 000600693.td-b3lyp_6-31g+(d).log.xz

000600693.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600693.td-b3lyp_6-31+g(d).gjf (generated)

000600693.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600693.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600693.mol 000600693.PUBCHEM 000600693.mol (via Jmol)
000600700.b3lyp_6-31g(d).inp

000600700.b3lyp_6-31g(d).qchem.inp (generated)

000600700.b3lyp_6-31g(d).gjf (generated)

000600700.b3lyp_6-31g(d).firefly.inp (generated)

000600700.b3lyp_6-31g(d).smash.inp (generated)

000600700.b3lyp_6-31g(d).nwchem.inp (generated) 000600700.b3lyp_6-31g(d).log.xz 000600700.mol 000600700.PUBCHEM 000600700.mol (via Jmol)
000600701.b3lyp_6-31g(d).inp

000600701.b3lyp_6-31g(d).qchem.inp (generated)

000600701.b3lyp_6-31g(d).gjf (generated)

000600701.b3lyp_6-31g(d).firefly.inp (generated)

000600701.b3lyp_6-31g(d).smash.inp (generated)

000600701.b3lyp_6-31g(d).nwchem.inp (generated) 000600701.b3lyp_6-31g(d).log.xz 000600701.mol 000600701.PUBCHEM 000600701.mol (via Jmol)
000600702.b3lyp_6-31g(d).inp

000600702.b3lyp_6-31g(d).qchem.inp (generated)

000600702.b3lyp_6-31g(d).gjf (generated)

000600702.b3lyp_6-31g(d).firefly.inp (generated)

000600702.b3lyp_6-31g(d).smash.inp (generated)

000600702.b3lyp_6-31g(d).nwchem.inp (generated) 000600702.b3lyp_6-31g(d).log.xz 000600702.td-b3lyp_6-31g+(d).inp 000600702.td-b3lyp_6-31g+(d).log.xz

000600702.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600702.td-b3lyp_6-31+g(d).gjf (generated)

000600702.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600702.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600702.mol 000600702.PUBCHEM 000600702.mol (via Jmol)
000600703.b3lyp_6-31g(d).inp

000600703.b3lyp_6-31g(d).qchem.inp (generated)

000600703.b3lyp_6-31g(d).gjf (generated)

000600703.b3lyp_6-31g(d).firefly.inp (generated)

000600703.b3lyp_6-31g(d).smash.inp (generated)

000600703.b3lyp_6-31g(d).nwchem.inp (generated) 000600703.b3lyp_6-31g(d).log.xz 000600703.td-b3lyp_6-31g+(d).inp 000600703.td-b3lyp_6-31g+(d).log.xz

000600703.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600703.td-b3lyp_6-31+g(d).gjf (generated)

000600703.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600703.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600703.mol 000600703.PUBCHEM 000600703.mol (via Jmol)
000600705.b3lyp_6-31g(d).inp

000600705.b3lyp_6-31g(d).qchem.inp (generated)

000600705.b3lyp_6-31g(d).gjf (generated)

000600705.b3lyp_6-31g(d).firefly.inp (generated)

000600705.b3lyp_6-31g(d).smash.inp (generated)

000600705.b3lyp_6-31g(d).nwchem.inp (generated) 000600705.b3lyp_6-31g(d).log.xz 000600705.td-b3lyp_6-31g+(d).inp 000600705.td-b3lyp_6-31g+(d).log.xz

000600705.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600705.td-b3lyp_6-31+g(d).gjf (generated)

000600705.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600705.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600705.mol 000600705.PUBCHEM 000600705.mol (via Jmol)
000600706.b3lyp_6-31g(d).inp

000600706.b3lyp_6-31g(d).qchem.inp (generated)

000600706.b3lyp_6-31g(d).gjf (generated)

000600706.b3lyp_6-31g(d).firefly.inp (generated)

000600706.b3lyp_6-31g(d).smash.inp (generated)

000600706.b3lyp_6-31g(d).nwchem.inp (generated) 000600706.b3lyp_6-31g(d).log.xz 000600706.td-b3lyp_6-31g+(d).inp 000600706.td-b3lyp_6-31g+(d).log.xz

000600706.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600706.td-b3lyp_6-31+g(d).gjf (generated)

000600706.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600706.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600706.mol 000600706.PUBCHEM 000600706.mol (via Jmol)
000600707.b3lyp_6-31g(d).inp

000600707.b3lyp_6-31g(d).qchem.inp (generated)

000600707.b3lyp_6-31g(d).gjf (generated)

000600707.b3lyp_6-31g(d).firefly.inp (generated)

000600707.b3lyp_6-31g(d).smash.inp (generated)

000600707.b3lyp_6-31g(d).nwchem.inp (generated) 000600707.b3lyp_6-31g(d).log.xz 000600707.td-b3lyp_6-31g+(d).inp 000600707.td-b3lyp_6-31g+(d).log.xz

000600707.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600707.td-b3lyp_6-31+g(d).gjf (generated)

000600707.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600707.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600707.mol 000600707.PUBCHEM 000600707.mol (via Jmol)
000600708.b3lyp_6-31g(d).inp

000600708.b3lyp_6-31g(d).qchem.inp (generated)

000600708.b3lyp_6-31g(d).gjf (generated)

000600708.b3lyp_6-31g(d).firefly.inp (generated)

000600708.b3lyp_6-31g(d).smash.inp (generated)

000600708.b3lyp_6-31g(d).nwchem.inp (generated) 000600708.b3lyp_6-31g(d).log.xz 000600708.td-b3lyp_6-31g+(d).inp 000600708.td-b3lyp_6-31g+(d).log.xz

000600708.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600708.td-b3lyp_6-31+g(d).gjf (generated)

000600708.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600708.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600708.mol 000600708.PUBCHEM 000600708.mol (via Jmol)
000600709.b3lyp_6-31g(d).inp

000600709.b3lyp_6-31g(d).qchem.inp (generated)

000600709.b3lyp_6-31g(d).gjf (generated)

000600709.b3lyp_6-31g(d).firefly.inp (generated)

000600709.b3lyp_6-31g(d).smash.inp (generated)

000600709.b3lyp_6-31g(d).nwchem.inp (generated) 000600709.b3lyp_6-31g(d).log.xz 000600709.td-b3lyp_6-31g+(d).inp 000600709.td-b3lyp_6-31g+(d).log.xz

000600709.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600709.td-b3lyp_6-31+g(d).gjf (generated)

000600709.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600709.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600709.mol 000600709.PUBCHEM 000600709.mol (via Jmol)
000600712.b3lyp_6-31g(d).inp

000600712.b3lyp_6-31g(d).qchem.inp (generated)

000600712.b3lyp_6-31g(d).gjf (generated)

000600712.b3lyp_6-31g(d).firefly.inp (generated)

000600712.b3lyp_6-31g(d).smash.inp (generated)

000600712.b3lyp_6-31g(d).nwchem.inp (generated) 000600712.b3lyp_6-31g(d).log.xz 000600712.td-b3lyp_6-31g+(d).inp 000600712.td-b3lyp_6-31g+(d).log.xz

000600712.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600712.td-b3lyp_6-31+g(d).gjf (generated)

000600712.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600712.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600712.mol 000600712.PUBCHEM 000600712.mol (via Jmol)
000600713.b3lyp_6-31g(d).inp

000600713.b3lyp_6-31g(d).qchem.inp (generated)

000600713.b3lyp_6-31g(d).gjf (generated)

000600713.b3lyp_6-31g(d).firefly.inp (generated)

000600713.b3lyp_6-31g(d).smash.inp (generated)

000600713.b3lyp_6-31g(d).nwchem.inp (generated) 000600713.b3lyp_6-31g(d).log.xz 000600713.td-b3lyp_6-31g+(d).inp 000600713.td-b3lyp_6-31g+(d).log.xz

000600713.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600713.td-b3lyp_6-31+g(d).gjf (generated)

000600713.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600713.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600713.mol 000600713.PUBCHEM 000600713.mol (via Jmol)
000600714.b3lyp_6-31g(d).inp

000600714.b3lyp_6-31g(d).qchem.inp (generated)

000600714.b3lyp_6-31g(d).gjf (generated)

000600714.b3lyp_6-31g(d).firefly.inp (generated)

000600714.b3lyp_6-31g(d).smash.inp (generated)

000600714.b3lyp_6-31g(d).nwchem.inp (generated) 000600714.b3lyp_6-31g(d).log.xz 000600714.td-b3lyp_6-31g+(d).inp 000600714.td-b3lyp_6-31g+(d).log.xz

000600714.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600714.td-b3lyp_6-31+g(d).gjf (generated)

000600714.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600714.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600714.mol 000600714.PUBCHEM 000600714.mol (via Jmol)
000600718.b3lyp_6-31g(d).inp

000600718.b3lyp_6-31g(d).qchem.inp (generated)

000600718.b3lyp_6-31g(d).gjf (generated)

000600718.b3lyp_6-31g(d).firefly.inp (generated)

000600718.b3lyp_6-31g(d).smash.inp (generated)

000600718.b3lyp_6-31g(d).nwchem.inp (generated) 000600718.b3lyp_6-31g(d).log.xz 000600718.mol 000600718.PUBCHEM 000600718.mol (via Jmol)
000600720.b3lyp_6-31g(d).inp

000600720.b3lyp_6-31g(d).qchem.inp (generated)

000600720.b3lyp_6-31g(d).gjf (generated)

000600720.b3lyp_6-31g(d).firefly.inp (generated)

000600720.b3lyp_6-31g(d).smash.inp (generated)

000600720.b3lyp_6-31g(d).nwchem.inp (generated) 000600720.b3lyp_6-31g(d).log.xz 000600720.mol 000600720.PUBCHEM 000600720.mol (via Jmol)
000600723.b3lyp_6-31g(d).inp

000600723.b3lyp_6-31g(d).qchem.inp (generated)

000600723.b3lyp_6-31g(d).gjf (generated)

000600723.b3lyp_6-31g(d).firefly.inp (generated)

000600723.b3lyp_6-31g(d).smash.inp (generated)

000600723.b3lyp_6-31g(d).nwchem.inp (generated) 000600723.b3lyp_6-31g(d).log.xz 000600723.mol 000600723.PUBCHEM 000600723.mol (via Jmol)
000600724.b3lyp_6-31g(d).inp

000600724.b3lyp_6-31g(d).qchem.inp (generated)

000600724.b3lyp_6-31g(d).gjf (generated)

000600724.b3lyp_6-31g(d).firefly.inp (generated)

000600724.b3lyp_6-31g(d).smash.inp (generated)

000600724.b3lyp_6-31g(d).nwchem.inp (generated) 000600724.b3lyp_6-31g(d).log.xz 000600724.mol 000600724.PUBCHEM 000600724.mol (via Jmol)
000600728.b3lyp_6-31g(d).inp

000600728.b3lyp_6-31g(d).qchem.inp (generated)

000600728.b3lyp_6-31g(d).gjf (generated)

000600728.b3lyp_6-31g(d).firefly.inp (generated)

000600728.b3lyp_6-31g(d).smash.inp (generated)

000600728.b3lyp_6-31g(d).nwchem.inp (generated) 000600728.b3lyp_6-31g(d).log.xz 000600728.mol 000600728.PUBCHEM 000600728.mol (via Jmol)
000600729.b3lyp_6-31g(d).inp

000600729.b3lyp_6-31g(d).qchem.inp (generated)

000600729.b3lyp_6-31g(d).gjf (generated)

000600729.b3lyp_6-31g(d).firefly.inp (generated)

000600729.b3lyp_6-31g(d).smash.inp (generated)

000600729.b3lyp_6-31g(d).nwchem.inp (generated) 000600729.b3lyp_6-31g(d).log.xz 000600729.mol 000600729.PUBCHEM 000600729.mol (via Jmol)
000600730.b3lyp_6-31g(d).inp

000600730.b3lyp_6-31g(d).qchem.inp (generated)

000600730.b3lyp_6-31g(d).gjf (generated)

000600730.b3lyp_6-31g(d).firefly.inp (generated)

000600730.b3lyp_6-31g(d).smash.inp (generated)

000600730.b3lyp_6-31g(d).nwchem.inp (generated) 000600730.b3lyp_6-31g(d).log.xz 000600730.mol 000600730.PUBCHEM 000600730.mol (via Jmol)
000600732.b3lyp_6-31g(d).inp

000600732.b3lyp_6-31g(d).qchem.inp (generated)

000600732.b3lyp_6-31g(d).gjf (generated)

000600732.b3lyp_6-31g(d).firefly.inp (generated)

000600732.b3lyp_6-31g(d).smash.inp (generated)

000600732.b3lyp_6-31g(d).nwchem.inp (generated) 000600732.b3lyp_6-31g(d).log.xz 000600732.td-b3lyp_6-31g+(d).inp 000600732.td-b3lyp_6-31g+(d).log.xz

000600732.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600732.td-b3lyp_6-31+g(d).gjf (generated)

000600732.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600732.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600732.mol 000600732.PUBCHEM 000600732.mol (via Jmol)
000600733.b3lyp_6-31g(d).inp

000600733.b3lyp_6-31g(d).qchem.inp (generated)

000600733.b3lyp_6-31g(d).gjf (generated)

000600733.b3lyp_6-31g(d).firefly.inp (generated)

000600733.b3lyp_6-31g(d).smash.inp (generated)

000600733.b3lyp_6-31g(d).nwchem.inp (generated) 000600733.b3lyp_6-31g(d).log.xz 000600733.td-b3lyp_6-31g+(d).inp 000600733.td-b3lyp_6-31g+(d).log.xz

000600733.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600733.td-b3lyp_6-31+g(d).gjf (generated)

000600733.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600733.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600733.mol 000600733.PUBCHEM 000600733.mol (via Jmol)
000600734.b3lyp_6-31g(d).inp

000600734.b3lyp_6-31g(d).qchem.inp (generated)

000600734.b3lyp_6-31g(d).gjf (generated)

000600734.b3lyp_6-31g(d).firefly.inp (generated)

000600734.b3lyp_6-31g(d).smash.inp (generated)

000600734.b3lyp_6-31g(d).nwchem.inp (generated) 000600734.b3lyp_6-31g(d).log.xz 000600734.td-b3lyp_6-31g+(d).inp 000600734.td-b3lyp_6-31g+(d).log.xz

000600734.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600734.td-b3lyp_6-31+g(d).gjf (generated)

000600734.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600734.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600734.mol 000600734.PUBCHEM 000600734.mol (via Jmol)
000600754.b3lyp_6-31g(d).inp

000600754.b3lyp_6-31g(d).qchem.inp (generated)

000600754.b3lyp_6-31g(d).gjf (generated)

000600754.b3lyp_6-31g(d).firefly.inp (generated)

000600754.b3lyp_6-31g(d).smash.inp (generated)

000600754.b3lyp_6-31g(d).nwchem.inp (generated) 000600754.b3lyp_6-31g(d).log.xz 000600754.td-b3lyp_6-31g+(d).inp 000600754.td-b3lyp_6-31g+(d).log.xz

000600754.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600754.td-b3lyp_6-31+g(d).gjf (generated)

000600754.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600754.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600754.mol 000600754.PUBCHEM 000600754.mol (via Jmol)
000600756.b3lyp_6-31g(d).inp

000600756.b3lyp_6-31g(d).qchem.inp (generated)

000600756.b3lyp_6-31g(d).gjf (generated)

000600756.b3lyp_6-31g(d).firefly.inp (generated)

000600756.b3lyp_6-31g(d).smash.inp (generated)

000600756.b3lyp_6-31g(d).nwchem.inp (generated) 000600756.b3lyp_6-31g(d).log.xz 000600756.td-b3lyp_6-31g+(d).inp 000600756.td-b3lyp_6-31g+(d).log.xz

000600756.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600756.td-b3lyp_6-31+g(d).gjf (generated)

000600756.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600756.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600756.mol 000600756.PUBCHEM 000600756.mol (via Jmol)
000600761.b3lyp_6-31g(d).inp

000600761.b3lyp_6-31g(d).qchem.inp (generated)

000600761.b3lyp_6-31g(d).gjf (generated)

000600761.b3lyp_6-31g(d).firefly.inp (generated)

000600761.b3lyp_6-31g(d).smash.inp (generated)

000600761.b3lyp_6-31g(d).nwchem.inp (generated) 000600761.b3lyp_6-31g(d).log.xz 000600761.td-b3lyp_6-31g+(d).inp 000600761.td-b3lyp_6-31g+(d).log.xz

000600761.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600761.td-b3lyp_6-31+g(d).gjf (generated)

000600761.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600761.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600761.mol 000600761.PUBCHEM 000600761.mol (via Jmol)
000600770.b3lyp_6-31g(d).inp

000600770.b3lyp_6-31g(d).qchem.inp (generated)

000600770.b3lyp_6-31g(d).gjf (generated)

000600770.b3lyp_6-31g(d).firefly.inp (generated)

000600770.b3lyp_6-31g(d).smash.inp (generated)

000600770.b3lyp_6-31g(d).nwchem.inp (generated) 000600770.b3lyp_6-31g(d).log.xz 000600770.mol 000600770.PUBCHEM 000600770.mol (via Jmol)
000600771.b3lyp_6-31g(d).inp

000600771.b3lyp_6-31g(d).qchem.inp (generated)

000600771.b3lyp_6-31g(d).gjf (generated)

000600771.b3lyp_6-31g(d).firefly.inp (generated)

000600771.b3lyp_6-31g(d).smash.inp (generated)

000600771.b3lyp_6-31g(d).nwchem.inp (generated) 000600771.b3lyp_6-31g(d).log.xz 000600771.mol 000600771.PUBCHEM 000600771.mol (via Jmol)
000600772.b3lyp_6-31g(d).inp

000600772.b3lyp_6-31g(d).qchem.inp (generated)

000600772.b3lyp_6-31g(d).gjf (generated)

000600772.b3lyp_6-31g(d).firefly.inp (generated)

000600772.b3lyp_6-31g(d).smash.inp (generated)

000600772.b3lyp_6-31g(d).nwchem.inp (generated) 000600772.b3lyp_6-31g(d).log.xz 000600772.mol 000600772.PUBCHEM 000600772.mol (via Jmol)
000600773.b3lyp_6-31g(d).inp

000600773.b3lyp_6-31g(d).qchem.inp (generated)

000600773.b3lyp_6-31g(d).gjf (generated)

000600773.b3lyp_6-31g(d).firefly.inp (generated)

000600773.b3lyp_6-31g(d).smash.inp (generated)

000600773.b3lyp_6-31g(d).nwchem.inp (generated) 000600773.b3lyp_6-31g(d).log.xz 000600773.mol 000600773.PUBCHEM 000600773.mol (via Jmol)
000600775.b3lyp_6-31g(d).inp

000600775.b3lyp_6-31g(d).qchem.inp (generated)

000600775.b3lyp_6-31g(d).gjf (generated)

000600775.b3lyp_6-31g(d).firefly.inp (generated)

000600775.b3lyp_6-31g(d).smash.inp (generated)

000600775.b3lyp_6-31g(d).nwchem.inp (generated) 000600775.b3lyp_6-31g(d).log.xz 000600775.mol 000600775.PUBCHEM 000600775.mol (via Jmol)
000600783.b3lyp_6-31g(d).inp

000600783.b3lyp_6-31g(d).qchem.inp (generated)

000600783.b3lyp_6-31g(d).gjf (generated)

000600783.b3lyp_6-31g(d).firefly.inp (generated)

000600783.b3lyp_6-31g(d).smash.inp (generated)

000600783.b3lyp_6-31g(d).nwchem.inp (generated) 000600783.b3lyp_6-31g(d).log.xz 000600783.mol 000600783.PUBCHEM 000600783.mol (via Jmol)
000600785.b3lyp_6-31g(d).inp

000600785.b3lyp_6-31g(d).qchem.inp (generated)

000600785.b3lyp_6-31g(d).gjf (generated)

000600785.b3lyp_6-31g(d).firefly.inp (generated)

000600785.b3lyp_6-31g(d).smash.inp (generated)

000600785.b3lyp_6-31g(d).nwchem.inp (generated) 000600785.b3lyp_6-31g(d).log.xz 000600785.mol 000600785.PUBCHEM 000600785.mol (via Jmol)
000600795.b3lyp_6-31g(d).inp

000600795.b3lyp_6-31g(d).qchem.inp (generated)

000600795.b3lyp_6-31g(d).gjf (generated)

000600795.b3lyp_6-31g(d).firefly.inp (generated)

000600795.b3lyp_6-31g(d).smash.inp (generated)

000600795.b3lyp_6-31g(d).nwchem.inp (generated) 000600795.b3lyp_6-31g(d).log.xz 000600795.mol 000600795.PUBCHEM 000600795.mol (via Jmol)
000600798.b3lyp_6-31g(d).inp

000600798.b3lyp_6-31g(d).qchem.inp (generated)

000600798.b3lyp_6-31g(d).gjf (generated)

000600798.b3lyp_6-31g(d).firefly.inp (generated)

000600798.b3lyp_6-31g(d).smash.inp (generated)

000600798.b3lyp_6-31g(d).nwchem.inp (generated) 000600798.b3lyp_6-31g(d).log.xz 000600798.td-b3lyp_6-31g+(d).inp 000600798.td-b3lyp_6-31g+(d).log.xz

000600798.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600798.td-b3lyp_6-31+g(d).gjf (generated)

000600798.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600798.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600798.mol 000600798.PUBCHEM 000600798.mol (via Jmol)
000600802.b3lyp_6-31g(d).inp

000600802.b3lyp_6-31g(d).qchem.inp (generated)

000600802.b3lyp_6-31g(d).gjf (generated)

000600802.b3lyp_6-31g(d).firefly.inp (generated)

000600802.b3lyp_6-31g(d).smash.inp (generated)

000600802.b3lyp_6-31g(d).nwchem.inp (generated) 000600802.b3lyp_6-31g(d).log.xz 000600802.td-b3lyp_6-31g+(d).inp 000600802.td-b3lyp_6-31g+(d).log.xz

000600802.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600802.td-b3lyp_6-31+g(d).gjf (generated)

000600802.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600802.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600802.mol 000600802.PUBCHEM 000600802.mol (via Jmol)
000600809.b3lyp_6-31g(d).inp

000600809.b3lyp_6-31g(d).qchem.inp (generated)

000600809.b3lyp_6-31g(d).gjf (generated)

000600809.b3lyp_6-31g(d).firefly.inp (generated)

000600809.b3lyp_6-31g(d).smash.inp (generated)

000600809.b3lyp_6-31g(d).nwchem.inp (generated) 000600809.b3lyp_6-31g(d).log.xz 000600809.td-b3lyp_6-31g+(d).inp 000600809.td-b3lyp_6-31g+(d).log.xz

000600809.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600809.td-b3lyp_6-31+g(d).gjf (generated)

000600809.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600809.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600809.mol 000600809.PUBCHEM 000600809.mol (via Jmol)
000600810.b3lyp_6-31g(d).inp

000600810.b3lyp_6-31g(d).qchem.inp (generated)

000600810.b3lyp_6-31g(d).gjf (generated)

000600810.b3lyp_6-31g(d).firefly.inp (generated)

000600810.b3lyp_6-31g(d).smash.inp (generated)

000600810.b3lyp_6-31g(d).nwchem.inp (generated) 000600810.b3lyp_6-31g(d).log.xz 000600810.mol 000600810.PUBCHEM 000600810.mol (via Jmol)
000600812.b3lyp_6-31g(d).inp

000600812.b3lyp_6-31g(d).qchem.inp (generated)

000600812.b3lyp_6-31g(d).gjf (generated)

000600812.b3lyp_6-31g(d).firefly.inp (generated)

000600812.b3lyp_6-31g(d).smash.inp (generated)

000600812.b3lyp_6-31g(d).nwchem.inp (generated) 000600812.b3lyp_6-31g(d).log.xz 000600812.mol 000600812.PUBCHEM 000600812.mol (via Jmol)
000600813.b3lyp_6-31g(d).inp

000600813.b3lyp_6-31g(d).qchem.inp (generated)

000600813.b3lyp_6-31g(d).gjf (generated)

000600813.b3lyp_6-31g(d).firefly.inp (generated)

000600813.b3lyp_6-31g(d).smash.inp (generated)

000600813.b3lyp_6-31g(d).nwchem.inp (generated) 000600813.b3lyp_6-31g(d).log.xz 000600813.td-b3lyp_6-31g+(d).inp 000600813.td-b3lyp_6-31g+(d).log.xz

000600813.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600813.td-b3lyp_6-31+g(d).gjf (generated)

000600813.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600813.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600813.mol 000600813.PUBCHEM 000600813.mol (via Jmol)
000600816.b3lyp_6-31g(d).inp

000600816.b3lyp_6-31g(d).qchem.inp (generated)

000600816.b3lyp_6-31g(d).gjf (generated)

000600816.b3lyp_6-31g(d).firefly.inp (generated)

000600816.b3lyp_6-31g(d).smash.inp (generated)

000600816.b3lyp_6-31g(d).nwchem.inp (generated) 000600816.b3lyp_6-31g(d).log.xz 000600816.td-b3lyp_6-31g+(d).inp 000600816.td-b3lyp_6-31g+(d).log.xz

000600816.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600816.td-b3lyp_6-31+g(d).gjf (generated)

000600816.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600816.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600816.mol 000600816.PUBCHEM 000600816.mol (via Jmol)
000600818.b3lyp_6-31g(d).inp

000600818.b3lyp_6-31g(d).qchem.inp (generated)

000600818.b3lyp_6-31g(d).gjf (generated)

000600818.b3lyp_6-31g(d).firefly.inp (generated)

000600818.b3lyp_6-31g(d).smash.inp (generated)

000600818.b3lyp_6-31g(d).nwchem.inp (generated) 000600818.b3lyp_6-31g(d).log.xz 000600818.td-b3lyp_6-31g+(d).inp 000600818.td-b3lyp_6-31g+(d).log.xz

000600818.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600818.td-b3lyp_6-31+g(d).gjf (generated)

000600818.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600818.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600818.mol 000600818.PUBCHEM 000600818.mol (via Jmol)
000600821.b3lyp_6-31g(d).inp

000600821.b3lyp_6-31g(d).qchem.inp (generated)

000600821.b3lyp_6-31g(d).gjf (generated)

000600821.b3lyp_6-31g(d).firefly.inp (generated)

000600821.b3lyp_6-31g(d).smash.inp (generated)

000600821.b3lyp_6-31g(d).nwchem.inp (generated) 000600821.b3lyp_6-31g(d).log.xz 000600821.mol 000600821.PUBCHEM 000600821.mol (via Jmol)
000600822.b3lyp_6-31g(d).inp

000600822.b3lyp_6-31g(d).qchem.inp (generated)

000600822.b3lyp_6-31g(d).gjf (generated)

000600822.b3lyp_6-31g(d).firefly.inp (generated)

000600822.b3lyp_6-31g(d).smash.inp (generated)

000600822.b3lyp_6-31g(d).nwchem.inp (generated) 000600822.b3lyp_6-31g(d).log.xz 000600822.td-b3lyp_6-31g+(d).inp 000600822.td-b3lyp_6-31g+(d).log.xz

000600822.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600822.td-b3lyp_6-31+g(d).gjf (generated)

000600822.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600822.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600822.mol 000600822.PUBCHEM 000600822.mol (via Jmol)
000600829.b3lyp_6-31g(d).inp

000600829.b3lyp_6-31g(d).qchem.inp (generated)

000600829.b3lyp_6-31g(d).gjf (generated)

000600829.b3lyp_6-31g(d).firefly.inp (generated)

000600829.b3lyp_6-31g(d).smash.inp (generated)

000600829.b3lyp_6-31g(d).nwchem.inp (generated) 000600829.b3lyp_6-31g(d).log.xz 000600829.td-b3lyp_6-31g+(d).inp 000600829.td-b3lyp_6-31g+(d).log.xz

000600829.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600829.td-b3lyp_6-31+g(d).gjf (generated)

000600829.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600829.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600829.mol 000600829.PUBCHEM 000600829.mol (via Jmol)
000600830.b3lyp_6-31g(d).inp

000600830.b3lyp_6-31g(d).qchem.inp (generated)

000600830.b3lyp_6-31g(d).gjf (generated)

000600830.b3lyp_6-31g(d).firefly.inp (generated)

000600830.b3lyp_6-31g(d).smash.inp (generated)

000600830.b3lyp_6-31g(d).nwchem.inp (generated) 000600830.b3lyp_6-31g(d).log.xz 000600830.mol 000600830.PUBCHEM 000600830.mol (via Jmol)
000600836.b3lyp_6-31g(d).inp

000600836.b3lyp_6-31g(d).qchem.inp (generated)

000600836.b3lyp_6-31g(d).gjf (generated)

000600836.b3lyp_6-31g(d).firefly.inp (generated)

000600836.b3lyp_6-31g(d).smash.inp (generated)

000600836.b3lyp_6-31g(d).nwchem.inp (generated) 000600836.b3lyp_6-31g(d).log.xz 000600836.mol 000600836.PUBCHEM 000600836.mol (via Jmol)
000600841.b3lyp_6-31g(d).inp

000600841.b3lyp_6-31g(d).qchem.inp (generated)

000600841.b3lyp_6-31g(d).gjf (generated)

000600841.b3lyp_6-31g(d).firefly.inp (generated)

000600841.b3lyp_6-31g(d).smash.inp (generated)

000600841.b3lyp_6-31g(d).nwchem.inp (generated) 000600841.b3lyp_6-31g(d).log.xz 000600841.td-b3lyp_6-31g+(d).inp 000600841.td-b3lyp_6-31g+(d).log.xz

000600841.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600841.td-b3lyp_6-31+g(d).gjf (generated)

000600841.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600841.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600841.mol 000600841.PUBCHEM 000600841.mol (via Jmol)
000600842.b3lyp_6-31g(d).inp

000600842.b3lyp_6-31g(d).qchem.inp (generated)

000600842.b3lyp_6-31g(d).gjf (generated)

000600842.b3lyp_6-31g(d).firefly.inp (generated)

000600842.b3lyp_6-31g(d).smash.inp (generated)

000600842.b3lyp_6-31g(d).nwchem.inp (generated) 000600842.b3lyp_6-31g(d).log.xz 000600842.td-b3lyp_6-31g+(d).inp 000600842.td-b3lyp_6-31g+(d).log.xz

000600842.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600842.td-b3lyp_6-31+g(d).gjf (generated)

000600842.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600842.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600842.mol 000600842.PUBCHEM 000600842.mol (via Jmol)
000600847.b3lyp_6-31g(d).inp

000600847.b3lyp_6-31g(d).qchem.inp (generated)

000600847.b3lyp_6-31g(d).gjf (generated)

000600847.b3lyp_6-31g(d).firefly.inp (generated)

000600847.b3lyp_6-31g(d).smash.inp (generated)

000600847.b3lyp_6-31g(d).nwchem.inp (generated) 000600847.b3lyp_6-31g(d).log.xz 000600847.td-b3lyp_6-31g+(d).inp 000600847.td-b3lyp_6-31g+(d).log.xz

000600847.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600847.td-b3lyp_6-31+g(d).gjf (generated)

000600847.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600847.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600847.mol 000600847.PUBCHEM 000600847.mol (via Jmol)
000600850.b3lyp_6-31g(d).inp

000600850.b3lyp_6-31g(d).qchem.inp (generated)

000600850.b3lyp_6-31g(d).gjf (generated)

000600850.b3lyp_6-31g(d).firefly.inp (generated)

000600850.b3lyp_6-31g(d).smash.inp (generated)

000600850.b3lyp_6-31g(d).nwchem.inp (generated) 000600850.b3lyp_6-31g(d).log.xz 000600850.mol 000600850.PUBCHEM 000600850.mol (via Jmol)
000600854.b3lyp_6-31g(d).inp

000600854.b3lyp_6-31g(d).qchem.inp (generated)

000600854.b3lyp_6-31g(d).gjf (generated)

000600854.b3lyp_6-31g(d).firefly.inp (generated)

000600854.b3lyp_6-31g(d).smash.inp (generated)

000600854.b3lyp_6-31g(d).nwchem.inp (generated) 000600854.b3lyp_6-31g(d).log.xz 000600854.td-b3lyp_6-31g+(d).inp 000600854.td-b3lyp_6-31g+(d).log.xz

000600854.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600854.td-b3lyp_6-31+g(d).gjf (generated)

000600854.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600854.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600854.mol 000600854.PUBCHEM 000600854.mol (via Jmol)
000600859.b3lyp_6-31g(d).inp

000600859.b3lyp_6-31g(d).qchem.inp (generated)

000600859.b3lyp_6-31g(d).gjf (generated)

000600859.b3lyp_6-31g(d).firefly.inp (generated)

000600859.b3lyp_6-31g(d).smash.inp (generated)

000600859.b3lyp_6-31g(d).nwchem.inp (generated) 000600859.b3lyp_6-31g(d).log.xz 000600859.mol 000600859.PUBCHEM 000600859.mol (via Jmol)
000600863.b3lyp_6-31g(d).inp

000600863.b3lyp_6-31g(d).qchem.inp (generated)

000600863.b3lyp_6-31g(d).gjf (generated)

000600863.b3lyp_6-31g(d).firefly.inp (generated)

000600863.b3lyp_6-31g(d).smash.inp (generated)

000600863.b3lyp_6-31g(d).nwchem.inp (generated) 000600863.b3lyp_6-31g(d).log.xz 000600863.td-b3lyp_6-31g+(d).inp 000600863.td-b3lyp_6-31g+(d).log.xz

000600863.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600863.td-b3lyp_6-31+g(d).gjf (generated)

000600863.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600863.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600863.mol 000600863.PUBCHEM 000600863.mol (via Jmol)
000600864.b3lyp_6-31g(d).inp

000600864.b3lyp_6-31g(d).qchem.inp (generated)

000600864.b3lyp_6-31g(d).gjf (generated)

000600864.b3lyp_6-31g(d).firefly.inp (generated)

000600864.b3lyp_6-31g(d).smash.inp (generated)

000600864.b3lyp_6-31g(d).nwchem.inp (generated) 000600864.b3lyp_6-31g(d).log.xz 000600864.td-b3lyp_6-31g+(d).inp 000600864.td-b3lyp_6-31g+(d).log.xz

000600864.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600864.td-b3lyp_6-31+g(d).gjf (generated)

000600864.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600864.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600864.mol 000600864.PUBCHEM 000600864.mol (via Jmol)
000600871.b3lyp_6-31g(d).inp

000600871.b3lyp_6-31g(d).qchem.inp (generated)

000600871.b3lyp_6-31g(d).gjf (generated)

000600871.b3lyp_6-31g(d).firefly.inp (generated)

000600871.b3lyp_6-31g(d).smash.inp (generated)

000600871.b3lyp_6-31g(d).nwchem.inp (generated) 000600871.b3lyp_6-31g(d).log.xz 000600871.td-b3lyp_6-31g+(d).inp 000600871.td-b3lyp_6-31g+(d).log.xz

000600871.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600871.td-b3lyp_6-31+g(d).gjf (generated)

000600871.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600871.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600871.mol 000600871.PUBCHEM 000600871.mol (via Jmol)
000600873.b3lyp_6-31g(d).inp

000600873.b3lyp_6-31g(d).qchem.inp (generated)

000600873.b3lyp_6-31g(d).gjf (generated)

000600873.b3lyp_6-31g(d).firefly.inp (generated)

000600873.b3lyp_6-31g(d).smash.inp (generated)

000600873.b3lyp_6-31g(d).nwchem.inp (generated) 000600873.b3lyp_6-31g(d).log.xz 000600873.td-b3lyp_6-31g+(d).inp 000600873.td-b3lyp_6-31g+(d).log.xz

000600873.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600873.td-b3lyp_6-31+g(d).gjf (generated)

000600873.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600873.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600873.mol 000600873.PUBCHEM 000600873.mol (via Jmol)
000600880.b3lyp_6-31g(d).inp

000600880.b3lyp_6-31g(d).qchem.inp (generated)

000600880.b3lyp_6-31g(d).gjf (generated)

000600880.b3lyp_6-31g(d).firefly.inp (generated)

000600880.b3lyp_6-31g(d).smash.inp (generated)

000600880.b3lyp_6-31g(d).nwchem.inp (generated) 000600880.b3lyp_6-31g(d).log.xz 000600880.td-b3lyp_6-31g+(d).inp 000600880.td-b3lyp_6-31g+(d).log.xz

000600880.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600880.td-b3lyp_6-31+g(d).gjf (generated)

000600880.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600880.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600880.mol 000600880.PUBCHEM 000600880.mol (via Jmol)
000600885.b3lyp_6-31g(d).inp

000600885.b3lyp_6-31g(d).qchem.inp (generated)

000600885.b3lyp_6-31g(d).gjf (generated)

000600885.b3lyp_6-31g(d).firefly.inp (generated)

000600885.b3lyp_6-31g(d).smash.inp (generated)

000600885.b3lyp_6-31g(d).nwchem.inp (generated) 000600885.b3lyp_6-31g(d).log.xz 000600885.td-b3lyp_6-31g+(d).inp 000600885.td-b3lyp_6-31g+(d).log.xz

000600885.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600885.td-b3lyp_6-31+g(d).gjf (generated)

000600885.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600885.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600885.mol 000600885.PUBCHEM 000600885.mol (via Jmol)
000600886.b3lyp_6-31g(d).inp

000600886.b3lyp_6-31g(d).qchem.inp (generated)

000600886.b3lyp_6-31g(d).gjf (generated)

000600886.b3lyp_6-31g(d).firefly.inp (generated)

000600886.b3lyp_6-31g(d).smash.inp (generated)

000600886.b3lyp_6-31g(d).nwchem.inp (generated) 000600886.b3lyp_6-31g(d).log.xz 000600886.mol 000600886.PUBCHEM 000600886.mol (via Jmol)
000600887.b3lyp_6-31g(d).inp

000600887.b3lyp_6-31g(d).qchem.inp (generated)

000600887.b3lyp_6-31g(d).gjf (generated)

000600887.b3lyp_6-31g(d).firefly.inp (generated)

000600887.b3lyp_6-31g(d).smash.inp (generated)

000600887.b3lyp_6-31g(d).nwchem.inp (generated) 000600887.b3lyp_6-31g(d).log.xz 000600887.td-b3lyp_6-31g+(d).inp 000600887.td-b3lyp_6-31g+(d).log.xz

000600887.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600887.td-b3lyp_6-31+g(d).gjf (generated)

000600887.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600887.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600887.mol 000600887.PUBCHEM 000600887.mol (via Jmol)
000600888.b3lyp_6-31g(d).inp

000600888.b3lyp_6-31g(d).qchem.inp (generated)

000600888.b3lyp_6-31g(d).gjf (generated)

000600888.b3lyp_6-31g(d).firefly.inp (generated)

000600888.b3lyp_6-31g(d).smash.inp (generated)

000600888.b3lyp_6-31g(d).nwchem.inp (generated) 000600888.b3lyp_6-31g(d).log.xz 000600888.mol 000600888.PUBCHEM 000600888.mol (via Jmol)
000600889.b3lyp_6-31g(d).inp

000600889.b3lyp_6-31g(d).qchem.inp (generated)

000600889.b3lyp_6-31g(d).gjf (generated)

000600889.b3lyp_6-31g(d).firefly.inp (generated)

000600889.b3lyp_6-31g(d).smash.inp (generated)

000600889.b3lyp_6-31g(d).nwchem.inp (generated) 000600889.b3lyp_6-31g(d).log.xz 000600889.mol 000600889.PUBCHEM 000600889.mol (via Jmol)
000600894.b3lyp_6-31g(d).inp

000600894.b3lyp_6-31g(d).qchem.inp (generated)

000600894.b3lyp_6-31g(d).gjf (generated)

000600894.b3lyp_6-31g(d).firefly.inp (generated)

000600894.b3lyp_6-31g(d).smash.inp (generated)

000600894.b3lyp_6-31g(d).nwchem.inp (generated) 000600894.b3lyp_6-31g(d).log.xz 000600894.td-b3lyp_6-31g+(d).inp 000600894.td-b3lyp_6-31g+(d).log.xz

000600894.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600894.td-b3lyp_6-31+g(d).gjf (generated)

000600894.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600894.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600894.mol 000600894.PUBCHEM 000600894.mol (via Jmol)
000600898.b3lyp_6-31g(d).inp

000600898.b3lyp_6-31g(d).qchem.inp (generated)

000600898.b3lyp_6-31g(d).gjf (generated)

000600898.b3lyp_6-31g(d).firefly.inp (generated)

000600898.b3lyp_6-31g(d).smash.inp (generated)

000600898.b3lyp_6-31g(d).nwchem.inp (generated) 000600898.b3lyp_6-31g(d).log.xz 000600898.mol 000600898.PUBCHEM 000600898.mol (via Jmol)
000600899.b3lyp_6-31g(d).inp

000600899.b3lyp_6-31g(d).qchem.inp (generated)

000600899.b3lyp_6-31g(d).gjf (generated)

000600899.b3lyp_6-31g(d).firefly.inp (generated)

000600899.b3lyp_6-31g(d).smash.inp (generated)

000600899.b3lyp_6-31g(d).nwchem.inp (generated) 000600899.b3lyp_6-31g(d).log.xz 000600899.td-b3lyp_6-31g+(d).inp 000600899.td-b3lyp_6-31g+(d).log.xz

000600899.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600899.td-b3lyp_6-31+g(d).gjf (generated)

000600899.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600899.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600899.mol 000600899.PUBCHEM 000600899.mol (via Jmol)
000600902.b3lyp_6-31g(d).inp

000600902.b3lyp_6-31g(d).qchem.inp (generated)

000600902.b3lyp_6-31g(d).gjf (generated)

000600902.b3lyp_6-31g(d).firefly.inp (generated)

000600902.b3lyp_6-31g(d).smash.inp (generated)

000600902.b3lyp_6-31g(d).nwchem.inp (generated) 000600902.b3lyp_6-31g(d).log.xz 000600902.td-b3lyp_6-31g+(d).inp 000600902.td-b3lyp_6-31g+(d).log.xz

000600902.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600902.td-b3lyp_6-31+g(d).gjf (generated)

000600902.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600902.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600902.mol 000600902.PUBCHEM 000600902.mol (via Jmol)
000600904.b3lyp_6-31g(d).inp

000600904.b3lyp_6-31g(d).qchem.inp (generated)

000600904.b3lyp_6-31g(d).gjf (generated)

000600904.b3lyp_6-31g(d).firefly.inp (generated)

000600904.b3lyp_6-31g(d).smash.inp (generated)

000600904.b3lyp_6-31g(d).nwchem.inp (generated) 000600904.b3lyp_6-31g(d).log.xz 000600904.mol 000600904.PUBCHEM 000600904.mol (via Jmol)
000600905.b3lyp_6-31g(d).inp

000600905.b3lyp_6-31g(d).qchem.inp (generated)

000600905.b3lyp_6-31g(d).gjf (generated)

000600905.b3lyp_6-31g(d).firefly.inp (generated)

000600905.b3lyp_6-31g(d).smash.inp (generated)

000600905.b3lyp_6-31g(d).nwchem.inp (generated) 000600905.b3lyp_6-31g(d).log.xz 000600905.mol 000600905.PUBCHEM 000600905.mol (via Jmol)
000600906.b3lyp_6-31g(d).inp

000600906.b3lyp_6-31g(d).qchem.inp (generated)

000600906.b3lyp_6-31g(d).gjf (generated)

000600906.b3lyp_6-31g(d).firefly.inp (generated)

000600906.b3lyp_6-31g(d).smash.inp (generated)

000600906.b3lyp_6-31g(d).nwchem.inp (generated) 000600906.b3lyp_6-31g(d).log.xz 000600906.mol 000600906.PUBCHEM 000600906.mol (via Jmol)
000600907.b3lyp_6-31g(d).inp

000600907.b3lyp_6-31g(d).qchem.inp (generated)

000600907.b3lyp_6-31g(d).gjf (generated)

000600907.b3lyp_6-31g(d).firefly.inp (generated)

000600907.b3lyp_6-31g(d).smash.inp (generated)

000600907.b3lyp_6-31g(d).nwchem.inp (generated) 000600907.b3lyp_6-31g(d).log.xz 000600907.td-b3lyp_6-31g+(d).inp 000600907.td-b3lyp_6-31g+(d).log.xz

000600907.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600907.td-b3lyp_6-31+g(d).gjf (generated)

000600907.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600907.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600907.mol 000600907.PUBCHEM 000600907.mol (via Jmol)
000600911.b3lyp_6-31g(d).inp

000600911.b3lyp_6-31g(d).qchem.inp (generated)

000600911.b3lyp_6-31g(d).gjf (generated)

000600911.b3lyp_6-31g(d).firefly.inp (generated)

000600911.b3lyp_6-31g(d).smash.inp (generated)

000600911.b3lyp_6-31g(d).nwchem.inp (generated) 000600911.b3lyp_6-31g(d).log.xz 000600911.td-b3lyp_6-31g+(d).inp 000600911.td-b3lyp_6-31g+(d).log.xz

000600911.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600911.td-b3lyp_6-31+g(d).gjf (generated)

000600911.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600911.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600911.mol 000600911.PUBCHEM 000600911.mol (via Jmol)
000600912.b3lyp_6-31g(d).inp

000600912.b3lyp_6-31g(d).qchem.inp (generated)

000600912.b3lyp_6-31g(d).gjf (generated)

000600912.b3lyp_6-31g(d).firefly.inp (generated)

000600912.b3lyp_6-31g(d).smash.inp (generated)

000600912.b3lyp_6-31g(d).nwchem.inp (generated) 000600912.b3lyp_6-31g(d).log.xz 000600912.mol 000600912.PUBCHEM 000600912.mol (via Jmol)
000600913.b3lyp_6-31g(d).inp

000600913.b3lyp_6-31g(d).qchem.inp (generated)

000600913.b3lyp_6-31g(d).gjf (generated)

000600913.b3lyp_6-31g(d).firefly.inp (generated)

000600913.b3lyp_6-31g(d).smash.inp (generated)

000600913.b3lyp_6-31g(d).nwchem.inp (generated) 000600913.b3lyp_6-31g(d).log.xz 000600913.mol 000600913.PUBCHEM 000600913.mol (via Jmol)
000600915.b3lyp_6-31g(d).inp

000600915.b3lyp_6-31g(d).qchem.inp (generated)

000600915.b3lyp_6-31g(d).gjf (generated)

000600915.b3lyp_6-31g(d).firefly.inp (generated)

000600915.b3lyp_6-31g(d).smash.inp (generated)

000600915.b3lyp_6-31g(d).nwchem.inp (generated) 000600915.b3lyp_6-31g(d).log.xz 000600915.td-b3lyp_6-31g+(d).inp 000600915.td-b3lyp_6-31g+(d).log.xz

000600915.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600915.td-b3lyp_6-31+g(d).gjf (generated)

000600915.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600915.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600915.mol 000600915.PUBCHEM 000600915.mol (via Jmol)
000600918.b3lyp_6-31g(d).inp

000600918.b3lyp_6-31g(d).qchem.inp (generated)

000600918.b3lyp_6-31g(d).gjf (generated)

000600918.b3lyp_6-31g(d).firefly.inp (generated)

000600918.b3lyp_6-31g(d).smash.inp (generated)

000600918.b3lyp_6-31g(d).nwchem.inp (generated) 000600918.b3lyp_6-31g(d).log.xz 000600918.mol 000600918.PUBCHEM 000600918.mol (via Jmol)
000600919.b3lyp_6-31g(d).inp

000600919.b3lyp_6-31g(d).qchem.inp (generated)

000600919.b3lyp_6-31g(d).gjf (generated)

000600919.b3lyp_6-31g(d).firefly.inp (generated)

000600919.b3lyp_6-31g(d).smash.inp (generated)

000600919.b3lyp_6-31g(d).nwchem.inp (generated) 000600919.b3lyp_6-31g(d).log.xz 000600919.td-b3lyp_6-31g+(d).inp 000600919.td-b3lyp_6-31g+(d).log.xz

000600919.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600919.td-b3lyp_6-31+g(d).gjf (generated)

000600919.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600919.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600919.mol 000600919.PUBCHEM 000600919.mol (via Jmol)
000600920.b3lyp_6-31g(d).inp

000600920.b3lyp_6-31g(d).qchem.inp (generated)

000600920.b3lyp_6-31g(d).gjf (generated)

000600920.b3lyp_6-31g(d).firefly.inp (generated)

000600920.b3lyp_6-31g(d).smash.inp (generated)

000600920.b3lyp_6-31g(d).nwchem.inp (generated) 000600920.b3lyp_6-31g(d).log.xz 000600920.td-b3lyp_6-31g+(d).inp 000600920.td-b3lyp_6-31g+(d).log.xz

000600920.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600920.td-b3lyp_6-31+g(d).gjf (generated)

000600920.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600920.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600920.mol 000600920.PUBCHEM 000600920.mol (via Jmol)
000600931.b3lyp_6-31g(d).inp

000600931.b3lyp_6-31g(d).qchem.inp (generated)

000600931.b3lyp_6-31g(d).gjf (generated)

000600931.b3lyp_6-31g(d).firefly.inp (generated)

000600931.b3lyp_6-31g(d).smash.inp (generated)

000600931.b3lyp_6-31g(d).nwchem.inp (generated) 000600931.b3lyp_6-31g(d).log.xz 000600931.td-b3lyp_6-31g+(d).inp 000600931.td-b3lyp_6-31g+(d).log.xz

000600931.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600931.td-b3lyp_6-31+g(d).gjf (generated)

000600931.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600931.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600931.mol 000600931.PUBCHEM 000600931.mol (via Jmol)
000600934.b3lyp_6-31g(d).inp

000600934.b3lyp_6-31g(d).qchem.inp (generated)

000600934.b3lyp_6-31g(d).gjf (generated)

000600934.b3lyp_6-31g(d).firefly.inp (generated)

000600934.b3lyp_6-31g(d).smash.inp (generated)

000600934.b3lyp_6-31g(d).nwchem.inp (generated) 000600934.b3lyp_6-31g(d).log.xz 000600934.mol 000600934.PUBCHEM 000600934.mol (via Jmol)
000600937.b3lyp_6-31g(d).inp

000600937.b3lyp_6-31g(d).qchem.inp (generated)

000600937.b3lyp_6-31g(d).gjf (generated)

000600937.b3lyp_6-31g(d).firefly.inp (generated)

000600937.b3lyp_6-31g(d).smash.inp (generated)

000600937.b3lyp_6-31g(d).nwchem.inp (generated) 000600937.b3lyp_6-31g(d).log.xz 000600937.td-b3lyp_6-31g+(d).inp 000600937.td-b3lyp_6-31g+(d).log.xz

000600937.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600937.td-b3lyp_6-31+g(d).gjf (generated)

000600937.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600937.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600937.mol 000600937.PUBCHEM 000600937.mol (via Jmol)
000600938.b3lyp_6-31g(d).inp

000600938.b3lyp_6-31g(d).qchem.inp (generated)

000600938.b3lyp_6-31g(d).gjf (generated)

000600938.b3lyp_6-31g(d).firefly.inp (generated)

000600938.b3lyp_6-31g(d).smash.inp (generated)

000600938.b3lyp_6-31g(d).nwchem.inp (generated) 000600938.b3lyp_6-31g(d).log.xz 000600938.td-b3lyp_6-31g+(d).inp 000600938.td-b3lyp_6-31g+(d).log.xz

000600938.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600938.td-b3lyp_6-31+g(d).gjf (generated)

000600938.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600938.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600938.mol 000600938.PUBCHEM 000600938.mol (via Jmol)
000600941.b3lyp_6-31g(d).inp

000600941.b3lyp_6-31g(d).qchem.inp (generated)

000600941.b3lyp_6-31g(d).gjf (generated)

000600941.b3lyp_6-31g(d).firefly.inp (generated)

000600941.b3lyp_6-31g(d).smash.inp (generated)

000600941.b3lyp_6-31g(d).nwchem.inp (generated) 000600941.b3lyp_6-31g(d).log.xz 000600941.td-b3lyp_6-31g+(d).inp 000600941.td-b3lyp_6-31g+(d).log.xz

000600941.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600941.td-b3lyp_6-31+g(d).gjf (generated)

000600941.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600941.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600941.mol 000600941.PUBCHEM 000600941.mol (via Jmol)
000600943.b3lyp_6-31g(d).inp

000600943.b3lyp_6-31g(d).qchem.inp (generated)

000600943.b3lyp_6-31g(d).gjf (generated)

000600943.b3lyp_6-31g(d).firefly.inp (generated)

000600943.b3lyp_6-31g(d).smash.inp (generated)

000600943.b3lyp_6-31g(d).nwchem.inp (generated) 000600943.b3lyp_6-31g(d).log.xz 000600943.td-b3lyp_6-31g+(d).inp 000600943.td-b3lyp_6-31g+(d).log.xz

000600943.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600943.td-b3lyp_6-31+g(d).gjf (generated)

000600943.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600943.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600943.mol 000600943.PUBCHEM 000600943.mol (via Jmol)
000600946.b3lyp_6-31g(d).inp

000600946.b3lyp_6-31g(d).qchem.inp (generated)

000600946.b3lyp_6-31g(d).gjf (generated)

000600946.b3lyp_6-31g(d).firefly.inp (generated)

000600946.b3lyp_6-31g(d).smash.inp (generated)

000600946.b3lyp_6-31g(d).nwchem.inp (generated) 000600946.b3lyp_6-31g(d).log.xz 000600946.td-b3lyp_6-31g+(d).inp 000600946.td-b3lyp_6-31g+(d).log.xz

000600946.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600946.td-b3lyp_6-31+g(d).gjf (generated)

000600946.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600946.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600946.mol 000600946.PUBCHEM 000600946.mol (via Jmol)
000600947.b3lyp_6-31g(d).inp

000600947.b3lyp_6-31g(d).qchem.inp (generated)

000600947.b3lyp_6-31g(d).gjf (generated)

000600947.b3lyp_6-31g(d).firefly.inp (generated)

000600947.b3lyp_6-31g(d).smash.inp (generated)

000600947.b3lyp_6-31g(d).nwchem.inp (generated) 000600947.b3lyp_6-31g(d).log.xz 000600947.td-b3lyp_6-31g+(d).inp 000600947.td-b3lyp_6-31g+(d).log.xz

000600947.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600947.td-b3lyp_6-31+g(d).gjf (generated)

000600947.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600947.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600947.mol 000600947.PUBCHEM 000600947.mol (via Jmol)
000600949.b3lyp_6-31g(d).inp

000600949.b3lyp_6-31g(d).qchem.inp (generated)

000600949.b3lyp_6-31g(d).gjf (generated)

000600949.b3lyp_6-31g(d).firefly.inp (generated)

000600949.b3lyp_6-31g(d).smash.inp (generated)

000600949.b3lyp_6-31g(d).nwchem.inp (generated) 000600949.b3lyp_6-31g(d).log.xz 000600949.td-b3lyp_6-31g+(d).inp 000600949.td-b3lyp_6-31g+(d).log.xz

000600949.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600949.td-b3lyp_6-31+g(d).gjf (generated)

000600949.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600949.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600949.mol 000600949.PUBCHEM 000600949.mol (via Jmol)
000600959.b3lyp_6-31g(d).inp

000600959.b3lyp_6-31g(d).qchem.inp (generated)

000600959.b3lyp_6-31g(d).gjf (generated)

000600959.b3lyp_6-31g(d).firefly.inp (generated)

000600959.b3lyp_6-31g(d).smash.inp (generated)

000600959.b3lyp_6-31g(d).nwchem.inp (generated) 000600959.b3lyp_6-31g(d).log.xz 000600959.td-b3lyp_6-31g+(d).inp 000600959.td-b3lyp_6-31g+(d).log.xz

000600959.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600959.td-b3lyp_6-31+g(d).gjf (generated)

000600959.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600959.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600959.mol 000600959.PUBCHEM 000600959.mol (via Jmol)
000600965.b3lyp_6-31g(d).inp

000600965.b3lyp_6-31g(d).qchem.inp (generated)

000600965.b3lyp_6-31g(d).gjf (generated)

000600965.b3lyp_6-31g(d).firefly.inp (generated)

000600965.b3lyp_6-31g(d).smash.inp (generated)

000600965.b3lyp_6-31g(d).nwchem.inp (generated) 000600965.b3lyp_6-31g(d).log.xz 000600965.td-b3lyp_6-31g+(d).inp 000600965.td-b3lyp_6-31g+(d).log.xz

000600965.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600965.td-b3lyp_6-31+g(d).gjf (generated)

000600965.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600965.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600965.mol 000600965.PUBCHEM 000600965.mol (via Jmol)
000600966.b3lyp_6-31g(d).inp

000600966.b3lyp_6-31g(d).qchem.inp (generated)

000600966.b3lyp_6-31g(d).gjf (generated)

000600966.b3lyp_6-31g(d).firefly.inp (generated)

000600966.b3lyp_6-31g(d).smash.inp (generated)

000600966.b3lyp_6-31g(d).nwchem.inp (generated) 000600966.b3lyp_6-31g(d).log.xz 000600966.td-b3lyp_6-31g+(d).inp 000600966.td-b3lyp_6-31g+(d).log.xz

000600966.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600966.td-b3lyp_6-31+g(d).gjf (generated)

000600966.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600966.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600966.mol 000600966.PUBCHEM 000600966.mol (via Jmol)
000600967.b3lyp_6-31g(d).inp

000600967.b3lyp_6-31g(d).qchem.inp (generated)

000600967.b3lyp_6-31g(d).gjf (generated)

000600967.b3lyp_6-31g(d).firefly.inp (generated)

000600967.b3lyp_6-31g(d).smash.inp (generated)

000600967.b3lyp_6-31g(d).nwchem.inp (generated) 000600967.b3lyp_6-31g(d).log.xz 000600967.td-b3lyp_6-31g+(d).inp 000600967.td-b3lyp_6-31g+(d).log.xz

000600967.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600967.td-b3lyp_6-31+g(d).gjf (generated)

000600967.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600967.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600967.mol 000600967.PUBCHEM 000600967.mol (via Jmol)
000600971.b3lyp_6-31g(d).inp

000600971.b3lyp_6-31g(d).qchem.inp (generated)

000600971.b3lyp_6-31g(d).gjf (generated)

000600971.b3lyp_6-31g(d).firefly.inp (generated)

000600971.b3lyp_6-31g(d).smash.inp (generated)

000600971.b3lyp_6-31g(d).nwchem.inp (generated) 000600971.b3lyp_6-31g(d).log.xz 000600971.td-b3lyp_6-31g+(d).inp 000600971.td-b3lyp_6-31g+(d).log.xz

000600971.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600971.td-b3lyp_6-31+g(d).gjf (generated)

000600971.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600971.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600971.mol 000600971.PUBCHEM 000600971.mol (via Jmol)
000600972.b3lyp_6-31g(d).inp

000600972.b3lyp_6-31g(d).qchem.inp (generated)

000600972.b3lyp_6-31g(d).gjf (generated)

000600972.b3lyp_6-31g(d).firefly.inp (generated)

000600972.b3lyp_6-31g(d).smash.inp (generated)

000600972.b3lyp_6-31g(d).nwchem.inp (generated) 000600972.b3lyp_6-31g(d).log.xz 000600972.td-b3lyp_6-31g+(d).inp 000600972.td-b3lyp_6-31g+(d).log.xz

000600972.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600972.td-b3lyp_6-31+g(d).gjf (generated)

000600972.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600972.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600972.mol 000600972.PUBCHEM 000600972.mol (via Jmol)
000600973.b3lyp_6-31g(d).inp

000600973.b3lyp_6-31g(d).qchem.inp (generated)

000600973.b3lyp_6-31g(d).gjf (generated)

000600973.b3lyp_6-31g(d).firefly.inp (generated)

000600973.b3lyp_6-31g(d).smash.inp (generated)

000600973.b3lyp_6-31g(d).nwchem.inp (generated) 000600973.b3lyp_6-31g(d).log.xz 000600973.mol 000600973.PUBCHEM 000600973.mol (via Jmol)
000600974.b3lyp_6-31g(d).inp

000600974.b3lyp_6-31g(d).qchem.inp (generated)

000600974.b3lyp_6-31g(d).gjf (generated)

000600974.b3lyp_6-31g(d).firefly.inp (generated)

000600974.b3lyp_6-31g(d).smash.inp (generated)

000600974.b3lyp_6-31g(d).nwchem.inp (generated) 000600974.b3lyp_6-31g(d).log.xz 000600974.td-b3lyp_6-31g+(d).inp 000600974.td-b3lyp_6-31g+(d).log.xz

000600974.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600974.td-b3lyp_6-31+g(d).gjf (generated)

000600974.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600974.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600974.mol 000600974.PUBCHEM 000600974.mol (via Jmol)
000600975.b3lyp_6-31g(d).inp

000600975.b3lyp_6-31g(d).qchem.inp (generated)

000600975.b3lyp_6-31g(d).gjf (generated)

000600975.b3lyp_6-31g(d).firefly.inp (generated)

000600975.b3lyp_6-31g(d).smash.inp (generated)

000600975.b3lyp_6-31g(d).nwchem.inp (generated) 000600975.b3lyp_6-31g(d).log.xz 000600975.td-b3lyp_6-31g+(d).inp 000600975.td-b3lyp_6-31g+(d).log.xz

000600975.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600975.td-b3lyp_6-31+g(d).gjf (generated)

000600975.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600975.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600975.mol 000600975.PUBCHEM 000600975.mol (via Jmol)
000600976.b3lyp_6-31g(d).inp

000600976.b3lyp_6-31g(d).qchem.inp (generated)

000600976.b3lyp_6-31g(d).gjf (generated)

000600976.b3lyp_6-31g(d).firefly.inp (generated)

000600976.b3lyp_6-31g(d).smash.inp (generated)

000600976.b3lyp_6-31g(d).nwchem.inp (generated) 000600976.b3lyp_6-31g(d).log.xz 000600976.td-b3lyp_6-31g+(d).inp 000600976.td-b3lyp_6-31g+(d).log.xz

000600976.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600976.td-b3lyp_6-31+g(d).gjf (generated)

000600976.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600976.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600976.mol 000600976.PUBCHEM 000600976.mol (via Jmol)
000600978.b3lyp_6-31g(d).inp

000600978.b3lyp_6-31g(d).qchem.inp (generated)

000600978.b3lyp_6-31g(d).gjf (generated)

000600978.b3lyp_6-31g(d).firefly.inp (generated)

000600978.b3lyp_6-31g(d).smash.inp (generated)

000600978.b3lyp_6-31g(d).nwchem.inp (generated) 000600978.b3lyp_6-31g(d).log.xz 000600978.td-b3lyp_6-31g+(d).inp 000600978.td-b3lyp_6-31g+(d).log.xz

000600978.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600978.td-b3lyp_6-31+g(d).gjf (generated)

000600978.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600978.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600978.mol 000600978.PUBCHEM 000600978.mol (via Jmol)
000600979.b3lyp_6-31g(d).inp

000600979.b3lyp_6-31g(d).qchem.inp (generated)

000600979.b3lyp_6-31g(d).gjf (generated)

000600979.b3lyp_6-31g(d).firefly.inp (generated)

000600979.b3lyp_6-31g(d).smash.inp (generated)

000600979.b3lyp_6-31g(d).nwchem.inp (generated) 000600979.b3lyp_6-31g(d).log.xz 000600979.td-b3lyp_6-31g+(d).inp 000600979.td-b3lyp_6-31g+(d).log.xz

000600979.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600979.td-b3lyp_6-31+g(d).gjf (generated)

000600979.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600979.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600979.mol 000600979.PUBCHEM 000600979.mol (via Jmol)
000600980.b3lyp_6-31g(d).inp

000600980.b3lyp_6-31g(d).qchem.inp (generated)

000600980.b3lyp_6-31g(d).gjf (generated)

000600980.b3lyp_6-31g(d).firefly.inp (generated)

000600980.b3lyp_6-31g(d).smash.inp (generated)

000600980.b3lyp_6-31g(d).nwchem.inp (generated) 000600980.b3lyp_6-31g(d).log.xz 000600980.td-b3lyp_6-31g+(d).inp 000600980.td-b3lyp_6-31g+(d).log.xz

000600980.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600980.td-b3lyp_6-31+g(d).gjf (generated)

000600980.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600980.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600980.mol 000600980.PUBCHEM 000600980.mol (via Jmol)
000600981.b3lyp_6-31g(d).inp

000600981.b3lyp_6-31g(d).qchem.inp (generated)

000600981.b3lyp_6-31g(d).gjf (generated)

000600981.b3lyp_6-31g(d).firefly.inp (generated)

000600981.b3lyp_6-31g(d).smash.inp (generated)

000600981.b3lyp_6-31g(d).nwchem.inp (generated) 000600981.b3lyp_6-31g(d).log.xz 000600981.td-b3lyp_6-31g+(d).inp 000600981.td-b3lyp_6-31g+(d).log.xz

000600981.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600981.td-b3lyp_6-31+g(d).gjf (generated)

000600981.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600981.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600981.mol 000600981.PUBCHEM 000600981.mol (via Jmol)
000600982.b3lyp_6-31g(d).inp

000600982.b3lyp_6-31g(d).qchem.inp (generated)

000600982.b3lyp_6-31g(d).gjf (generated)

000600982.b3lyp_6-31g(d).firefly.inp (generated)

000600982.b3lyp_6-31g(d).smash.inp (generated)

000600982.b3lyp_6-31g(d).nwchem.inp (generated) 000600982.b3lyp_6-31g(d).log.xz 000600982.td-b3lyp_6-31g+(d).inp 000600982.td-b3lyp_6-31g+(d).log.xz

000600982.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600982.td-b3lyp_6-31+g(d).gjf (generated)

000600982.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600982.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600982.mol 000600982.PUBCHEM 000600982.mol (via Jmol)
000600983.b3lyp_6-31g(d).inp

000600983.b3lyp_6-31g(d).qchem.inp (generated)

000600983.b3lyp_6-31g(d).gjf (generated)

000600983.b3lyp_6-31g(d).firefly.inp (generated)

000600983.b3lyp_6-31g(d).smash.inp (generated)

000600983.b3lyp_6-31g(d).nwchem.inp (generated) 000600983.b3lyp_6-31g(d).log.xz 000600983.td-b3lyp_6-31g+(d).inp 000600983.td-b3lyp_6-31g+(d).log.xz

000600983.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600983.td-b3lyp_6-31+g(d).gjf (generated)

000600983.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600983.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600983.mol 000600983.PUBCHEM 000600983.mol (via Jmol)
000600986.b3lyp_6-31g(d).inp

000600986.b3lyp_6-31g(d).qchem.inp (generated)

000600986.b3lyp_6-31g(d).gjf (generated)

000600986.b3lyp_6-31g(d).firefly.inp (generated)

000600986.b3lyp_6-31g(d).smash.inp (generated)

000600986.b3lyp_6-31g(d).nwchem.inp (generated) 000600986.b3lyp_6-31g(d).log.xz 000600986.td-b3lyp_6-31g+(d).inp 000600986.td-b3lyp_6-31g+(d).log.xz

000600986.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600986.td-b3lyp_6-31+g(d).gjf (generated)

000600986.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600986.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600986.mol 000600986.PUBCHEM 000600986.mol (via Jmol)
000600987.b3lyp_6-31g(d).inp

000600987.b3lyp_6-31g(d).qchem.inp (generated)

000600987.b3lyp_6-31g(d).gjf (generated)

000600987.b3lyp_6-31g(d).firefly.inp (generated)

000600987.b3lyp_6-31g(d).smash.inp (generated)

000600987.b3lyp_6-31g(d).nwchem.inp (generated) 000600987.b3lyp_6-31g(d).log.xz 000600987.td-b3lyp_6-31g+(d).inp 000600987.td-b3lyp_6-31g+(d).log.xz

000600987.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600987.td-b3lyp_6-31+g(d).gjf (generated)

000600987.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600987.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600987.mol 000600987.PUBCHEM 000600987.mol (via Jmol)
000600988.b3lyp_6-31g(d).inp

000600988.b3lyp_6-31g(d).qchem.inp (generated)

000600988.b3lyp_6-31g(d).gjf (generated)

000600988.b3lyp_6-31g(d).firefly.inp (generated)

000600988.b3lyp_6-31g(d).smash.inp (generated)

000600988.b3lyp_6-31g(d).nwchem.inp (generated) 000600988.b3lyp_6-31g(d).log.xz 000600988.td-b3lyp_6-31g+(d).inp 000600988.td-b3lyp_6-31g+(d).log.xz

000600988.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600988.td-b3lyp_6-31+g(d).gjf (generated)

000600988.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600988.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600988.mol 000600988.PUBCHEM 000600988.mol (via Jmol)
000600989.b3lyp_6-31g(d).inp

000600989.b3lyp_6-31g(d).qchem.inp (generated)

000600989.b3lyp_6-31g(d).gjf (generated)

000600989.b3lyp_6-31g(d).firefly.inp (generated)

000600989.b3lyp_6-31g(d).smash.inp (generated)

000600989.b3lyp_6-31g(d).nwchem.inp (generated) 000600989.b3lyp_6-31g(d).log.xz 000600989.td-b3lyp_6-31g+(d).inp 000600989.td-b3lyp_6-31g+(d).log.xz

000600989.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600989.td-b3lyp_6-31+g(d).gjf (generated)

000600989.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600989.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600989.mol 000600989.PUBCHEM 000600989.mol (via Jmol)
000600996.b3lyp_6-31g(d).inp

000600996.b3lyp_6-31g(d).qchem.inp (generated)

000600996.b3lyp_6-31g(d).gjf (generated)

000600996.b3lyp_6-31g(d).firefly.inp (generated)

000600996.b3lyp_6-31g(d).smash.inp (generated)

000600996.b3lyp_6-31g(d).nwchem.inp (generated) 000600996.b3lyp_6-31g(d).log.xz 000600996.td-b3lyp_6-31g+(d).inp 000600996.td-b3lyp_6-31g+(d).log.xz

000600996.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600996.td-b3lyp_6-31+g(d).gjf (generated)

000600996.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600996.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600996.mol 000600996.PUBCHEM 000600996.mol (via Jmol)
000600997.b3lyp_6-31g(d).inp

000600997.b3lyp_6-31g(d).qchem.inp (generated)

000600997.b3lyp_6-31g(d).gjf (generated)

000600997.b3lyp_6-31g(d).firefly.inp (generated)

000600997.b3lyp_6-31g(d).smash.inp (generated)

000600997.b3lyp_6-31g(d).nwchem.inp (generated) 000600997.b3lyp_6-31g(d).log.xz 000600997.td-b3lyp_6-31g+(d).inp 000600997.td-b3lyp_6-31g+(d).log.xz

000600997.td-b3lyp_6-31+g(d).qchem.inp (generated)

000600997.td-b3lyp_6-31+g(d).gjf (generated)

000600997.td-b3lyp_6-31+g(d).firefly.inp (generated)

000600997.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000600997.mol 000600997.PUBCHEM 000600997.mol (via Jmol)
000601003.b3lyp_6-31g(d).inp

000601003.b3lyp_6-31g(d).qchem.inp (generated)

000601003.b3lyp_6-31g(d).gjf (generated)

000601003.b3lyp_6-31g(d).firefly.inp (generated)

000601003.b3lyp_6-31g(d).smash.inp (generated)

000601003.b3lyp_6-31g(d).nwchem.inp (generated) 000601003.b3lyp_6-31g(d).log.xz 000601003.mol 000601003.PUBCHEM 000601003.mol (via Jmol)
000601004.b3lyp_6-31g(d).inp

000601004.b3lyp_6-31g(d).qchem.inp (generated)

000601004.b3lyp_6-31g(d).gjf (generated)

000601004.b3lyp_6-31g(d).firefly.inp (generated)

000601004.b3lyp_6-31g(d).smash.inp (generated)

000601004.b3lyp_6-31g(d).nwchem.inp (generated) 000601004.b3lyp_6-31g(d).log.xz 000601004.mol 000601004.PUBCHEM 000601004.mol (via Jmol)
000601005.b3lyp_6-31g(d).inp

000601005.b3lyp_6-31g(d).qchem.inp (generated)

000601005.b3lyp_6-31g(d).gjf (generated)

000601005.b3lyp_6-31g(d).firefly.inp (generated)

000601005.b3lyp_6-31g(d).smash.inp (generated)

000601005.b3lyp_6-31g(d).nwchem.inp (generated) 000601005.b3lyp_6-31g(d).log.xz 000601005.mol 000601005.PUBCHEM 000601005.mol (via Jmol)
000601006.b3lyp_6-31g(d).inp

000601006.b3lyp_6-31g(d).qchem.inp (generated)

000601006.b3lyp_6-31g(d).gjf (generated)

000601006.b3lyp_6-31g(d).firefly.inp (generated)

000601006.b3lyp_6-31g(d).smash.inp (generated)

000601006.b3lyp_6-31g(d).nwchem.inp (generated) 000601006.b3lyp_6-31g(d).log.xz 000601006.td-b3lyp_6-31g+(d).inp 000601006.td-b3lyp_6-31g+(d).log.xz

000601006.td-b3lyp_6-31+g(d).qchem.inp (generated)

000601006.td-b3lyp_6-31+g(d).gjf (generated)

000601006.td-b3lyp_6-31+g(d).firefly.inp (generated)

000601006.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000601006.mol 000601006.PUBCHEM 000601006.mol (via Jmol)
000601007.b3lyp_6-31g(d).inp

000601007.b3lyp_6-31g(d).qchem.inp (generated)

000601007.b3lyp_6-31g(d).gjf (generated)

000601007.b3lyp_6-31g(d).firefly.inp (generated)

000601007.b3lyp_6-31g(d).smash.inp (generated)

000601007.b3lyp_6-31g(d).nwchem.inp (generated) 000601007.b3lyp_6-31g(d).log.xz 000601007.mol 000601007.PUBCHEM 000601007.mol (via Jmol)
000601008.b3lyp_6-31g(d).inp

000601008.b3lyp_6-31g(d).qchem.inp (generated)

000601008.b3lyp_6-31g(d).gjf (generated)

000601008.b3lyp_6-31g(d).firefly.inp (generated)

000601008.b3lyp_6-31g(d).smash.inp (generated)

000601008.b3lyp_6-31g(d).nwchem.inp (generated) 000601008.b3lyp_6-31g(d).log.xz 000601008.mol 000601008.PUBCHEM 000601008.mol (via Jmol)
000601009.b3lyp_6-31g(d).inp

000601009.b3lyp_6-31g(d).qchem.inp (generated)

000601009.b3lyp_6-31g(d).gjf (generated)

000601009.b3lyp_6-31g(d).firefly.inp (generated)

000601009.b3lyp_6-31g(d).smash.inp (generated)

000601009.b3lyp_6-31g(d).nwchem.inp (generated) 000601009.b3lyp_6-31g(d).log.xz 000601009.mol 000601009.PUBCHEM 000601009.mol (via Jmol)
000601012.b3lyp_6-31g(d).inp

000601012.b3lyp_6-31g(d).qchem.inp (generated)

000601012.b3lyp_6-31g(d).gjf (generated)

000601012.b3lyp_6-31g(d).firefly.inp (generated)

000601012.b3lyp_6-31g(d).smash.inp (generated)

000601012.b3lyp_6-31g(d).nwchem.inp (generated) 000601012.b3lyp_6-31g(d).log.xz 000601012.td-b3lyp_6-31g+(d).inp 000601012.td-b3lyp_6-31g+(d).log.xz

000601012.td-b3lyp_6-31+g(d).qchem.inp (generated)

000601012.td-b3lyp_6-31+g(d).gjf (generated)

000601012.td-b3lyp_6-31+g(d).firefly.inp (generated)

000601012.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000601012.mol 000601012.PUBCHEM 000601012.mol (via Jmol)
000601014.b3lyp_6-31g(d).inp

000601014.b3lyp_6-31g(d).qchem.inp (generated)

000601014.b3lyp_6-31g(d).gjf (generated)

000601014.b3lyp_6-31g(d).firefly.inp (generated)

000601014.b3lyp_6-31g(d).smash.inp (generated)

000601014.b3lyp_6-31g(d).nwchem.inp (generated) 000601014.b3lyp_6-31g(d).log.xz 000601014.td-b3lyp_6-31g+(d).inp 000601014.td-b3lyp_6-31g+(d).log.xz

000601014.td-b3lyp_6-31+g(d).qchem.inp (generated)

000601014.td-b3lyp_6-31+g(d).gjf (generated)

000601014.td-b3lyp_6-31+g(d).firefly.inp (generated)

000601014.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000601014.mol 000601014.PUBCHEM 000601014.mol (via Jmol)
000601015.b3lyp_6-31g(d).inp

000601015.b3lyp_6-31g(d).qchem.inp (generated)

000601015.b3lyp_6-31g(d).gjf (generated)

000601015.b3lyp_6-31g(d).firefly.inp (generated)

000601015.b3lyp_6-31g(d).smash.inp (generated)

000601015.b3lyp_6-31g(d).nwchem.inp (generated) 000601015.b3lyp_6-31g(d).log.xz 000601015.td-b3lyp_6-31g+(d).inp 000601015.td-b3lyp_6-31g+(d).log.xz

000601015.td-b3lyp_6-31+g(d).qchem.inp (generated)

000601015.td-b3lyp_6-31+g(d).gjf (generated)

000601015.td-b3lyp_6-31+g(d).firefly.inp (generated)

000601015.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000601015.mol 000601015.PUBCHEM 000601015.mol (via Jmol)
000601017.b3lyp_6-31g(d).inp

000601017.b3lyp_6-31g(d).qchem.inp (generated)

000601017.b3lyp_6-31g(d).gjf (generated)

000601017.b3lyp_6-31g(d).firefly.inp (generated)

000601017.b3lyp_6-31g(d).smash.inp (generated)

000601017.b3lyp_6-31g(d).nwchem.inp (generated) 000601017.b3lyp_6-31g(d).log.xz 000601017.td-b3lyp_6-31g+(d).inp 000601017.td-b3lyp_6-31g+(d).log.xz

000601017.td-b3lyp_6-31+g(d).qchem.inp (generated)

000601017.td-b3lyp_6-31+g(d).gjf (generated)

000601017.td-b3lyp_6-31+g(d).firefly.inp (generated)

000601017.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000601017.mol 000601017.PUBCHEM 000601017.mol (via Jmol)
000601019.b3lyp_6-31g(d).inp

000601019.b3lyp_6-31g(d).qchem.inp (generated)

000601019.b3lyp_6-31g(d).gjf (generated)

000601019.b3lyp_6-31g(d).firefly.inp (generated)

000601019.b3lyp_6-31g(d).smash.inp (generated)

000601019.b3lyp_6-31g(d).nwchem.inp (generated) 000601019.b3lyp_6-31g(d).log.xz 000601019.td-b3lyp_6-31g+(d).inp 000601019.td-b3lyp_6-31g+(d).log.xz

000601019.td-b3lyp_6-31+g(d).qchem.inp (generated)

000601019.td-b3lyp_6-31+g(d).gjf (generated)

000601019.td-b3lyp_6-31+g(d).firefly.inp (generated)

000601019.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000601019.mol 000601019.PUBCHEM 000601019.mol (via Jmol)
000601068.b3lyp_6-31g(d).inp

000601068.b3lyp_6-31g(d).qchem.inp (generated)

000601068.b3lyp_6-31g(d).gjf (generated)

000601068.b3lyp_6-31g(d).firefly.inp (generated)

000601068.b3lyp_6-31g(d).smash.inp (generated)

000601068.b3lyp_6-31g(d).nwchem.inp (generated) 000601068.b3lyp_6-31g(d).log.xz 000601068.td-b3lyp_6-31g+(d).inp 000601068.td-b3lyp_6-31g+(d).log.xz

000601068.td-b3lyp_6-31+g(d).qchem.inp (generated)

000601068.td-b3lyp_6-31+g(d).gjf (generated)

000601068.td-b3lyp_6-31+g(d).firefly.inp (generated)

000601068.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000601068.mol 000601068.PUBCHEM 000601068.mol (via Jmol)
000601069.b3lyp_6-31g(d).inp

000601069.b3lyp_6-31g(d).qchem.inp (generated)

000601069.b3lyp_6-31g(d).gjf (generated)

000601069.b3lyp_6-31g(d).firefly.inp (generated)

000601069.b3lyp_6-31g(d).smash.inp (generated)

000601069.b3lyp_6-31g(d).nwchem.inp (generated) 000601069.b3lyp_6-31g(d).log.xz 000601069.td-b3lyp_6-31g+(d).inp 000601069.td-b3lyp_6-31g+(d).log.xz

000601069.td-b3lyp_6-31+g(d).qchem.inp (generated)

000601069.td-b3lyp_6-31+g(d).gjf (generated)

000601069.td-b3lyp_6-31+g(d).firefly.inp (generated)

000601069.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000601069.mol 000601069.PUBCHEM 000601069.mol (via Jmol)
000601073.b3lyp_6-31g(d).inp

000601073.b3lyp_6-31g(d).qchem.inp (generated)

000601073.b3lyp_6-31g(d).gjf (generated)

000601073.b3lyp_6-31g(d).firefly.inp (generated)

000601073.b3lyp_6-31g(d).smash.inp (generated)

000601073.b3lyp_6-31g(d).nwchem.inp (generated) 000601073.b3lyp_6-31g(d).log.xz 000601073.td-b3lyp_6-31g+(d).inp 000601073.td-b3lyp_6-31g+(d).log.xz

000601073.td-b3lyp_6-31+g(d).qchem.inp (generated)

000601073.td-b3lyp_6-31+g(d).gjf (generated)

000601073.td-b3lyp_6-31+g(d).firefly.inp (generated)

000601073.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000601073.mol 000601073.PUBCHEM 000601073.mol (via Jmol)
000601074.b3lyp_6-31g(d).inp

000601074.b3lyp_6-31g(d).qchem.inp (generated)

000601074.b3lyp_6-31g(d).gjf (generated)

000601074.b3lyp_6-31g(d).firefly.inp (generated)

000601074.b3lyp_6-31g(d).smash.inp (generated)

000601074.b3lyp_6-31g(d).nwchem.inp (generated) 000601074.b3lyp_6-31g(d).log.xz 000601074.td-b3lyp_6-31g+(d).inp 000601074.td-b3lyp_6-31g+(d).log.xz

000601074.td-b3lyp_6-31+g(d).qchem.inp (generated)

000601074.td-b3lyp_6-31+g(d).gjf (generated)

000601074.td-b3lyp_6-31+g(d).firefly.inp (generated)

000601074.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000601074.mol 000601074.PUBCHEM 000601074.mol (via Jmol)
000601078.b3lyp_6-31g(d).inp

000601078.b3lyp_6-31g(d).qchem.inp (generated)

000601078.b3lyp_6-31g(d).gjf (generated)

000601078.b3lyp_6-31g(d).firefly.inp (generated)

000601078.b3lyp_6-31g(d).smash.inp (generated)

000601078.b3lyp_6-31g(d).nwchem.inp (generated) 000601078.b3lyp_6-31g(d).log.xz 000601078.td-b3lyp_6-31g+(d).inp 000601078.td-b3lyp_6-31g+(d).log.xz

000601078.td-b3lyp_6-31+g(d).qchem.inp (generated)

000601078.td-b3lyp_6-31+g(d).gjf (generated)

000601078.td-b3lyp_6-31+g(d).firefly.inp (generated)

000601078.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000601078.mol 000601078.PUBCHEM 000601078.mol (via Jmol)
000601082.b3lyp_6-31g(d).inp

000601082.b3lyp_6-31g(d).qchem.inp (generated)

000601082.b3lyp_6-31g(d).gjf (generated)

000601082.b3lyp_6-31g(d).firefly.inp (generated)

000601082.b3lyp_6-31g(d).smash.inp (generated)

000601082.b3lyp_6-31g(d).nwchem.inp (generated) 000601082.b3lyp_6-31g(d).log.xz 000601082.td-b3lyp_6-31g+(d).inp 000601082.td-b3lyp_6-31g+(d).log.xz

000601082.td-b3lyp_6-31+g(d).qchem.inp (generated)

000601082.td-b3lyp_6-31+g(d).gjf (generated)

000601082.td-b3lyp_6-31+g(d).firefly.inp (generated)

000601082.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000601082.mol 000601082.PUBCHEM 000601082.mol (via Jmol)
000601088.b3lyp_6-31g(d).inp

000601088.b3lyp_6-31g(d).qchem.inp (generated)

000601088.b3lyp_6-31g(d).gjf (generated)

000601088.b3lyp_6-31g(d).firefly.inp (generated)

000601088.b3lyp_6-31g(d).smash.inp (generated)

000601088.b3lyp_6-31g(d).nwchem.inp (generated) 000601088.b3lyp_6-31g(d).log.xz 000601088.td-b3lyp_6-31g+(d).inp 000601088.td-b3lyp_6-31g+(d).log.xz

000601088.td-b3lyp_6-31+g(d).qchem.inp (generated)

000601088.td-b3lyp_6-31+g(d).gjf (generated)

000601088.td-b3lyp_6-31+g(d).firefly.inp (generated)

000601088.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000601088.mol 000601088.PUBCHEM 000601088.mol (via Jmol)
000601093.b3lyp_6-31g(d).inp

000601093.b3lyp_6-31g(d).qchem.inp (generated)

000601093.b3lyp_6-31g(d).gjf (generated)

000601093.b3lyp_6-31g(d).firefly.inp (generated)

000601093.b3lyp_6-31g(d).smash.inp (generated)

000601093.b3lyp_6-31g(d).nwchem.inp (generated) 000601093.b3lyp_6-31g(d).log.xz 000601093.td-b3lyp_6-31g+(d).inp 000601093.td-b3lyp_6-31g+(d).log.xz

000601093.td-b3lyp_6-31+g(d).qchem.inp (generated)

000601093.td-b3lyp_6-31+g(d).gjf (generated)

000601093.td-b3lyp_6-31+g(d).firefly.inp (generated)

000601093.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000601093.mol 000601093.PUBCHEM 000601093.mol (via Jmol)
000601098.b3lyp_6-31g(d).inp

000601098.b3lyp_6-31g(d).qchem.inp (generated)

000601098.b3lyp_6-31g(d).gjf (generated)

000601098.b3lyp_6-31g(d).firefly.inp (generated)

000601098.b3lyp_6-31g(d).smash.inp (generated)

000601098.b3lyp_6-31g(d).nwchem.inp (generated) 000601098.b3lyp_6-31g(d).log.xz 000601098.td-b3lyp_6-31g+(d).inp 000601098.td-b3lyp_6-31g+(d).log.xz

000601098.td-b3lyp_6-31+g(d).qchem.inp (generated)

000601098.td-b3lyp_6-31+g(d).gjf (generated)

000601098.td-b3lyp_6-31+g(d).firefly.inp (generated)

000601098.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000601098.mol 000601098.PUBCHEM 000601098.mol (via Jmol)
000601101.b3lyp_6-31g(d).inp

000601101.b3lyp_6-31g(d).qchem.inp (generated)

000601101.b3lyp_6-31g(d).gjf (generated)

000601101.b3lyp_6-31g(d).firefly.inp (generated)

000601101.b3lyp_6-31g(d).smash.inp (generated)

000601101.b3lyp_6-31g(d).nwchem.inp (generated) 000601101.b3lyp_6-31g(d).log.xz 000601101.td-b3lyp_6-31g+(d).inp 000601101.td-b3lyp_6-31g+(d).log.xz

000601101.td-b3lyp_6-31+g(d).qchem.inp (generated)

000601101.td-b3lyp_6-31+g(d).gjf (generated)

000601101.td-b3lyp_6-31+g(d).firefly.inp (generated)

000601101.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000601101.mol 000601101.PUBCHEM 000601101.mol (via Jmol)
000601106.b3lyp_6-31g(d).inp

000601106.b3lyp_6-31g(d).qchem.inp (generated)

000601106.b3lyp_6-31g(d).gjf (generated)

000601106.b3lyp_6-31g(d).firefly.inp (generated)

000601106.b3lyp_6-31g(d).smash.inp (generated)

000601106.b3lyp_6-31g(d).nwchem.inp (generated) 000601106.b3lyp_6-31g(d).log.xz 000601106.td-b3lyp_6-31g+(d).inp 000601106.td-b3lyp_6-31g+(d).log.xz

000601106.td-b3lyp_6-31+g(d).qchem.inp (generated)

000601106.td-b3lyp_6-31+g(d).gjf (generated)

000601106.td-b3lyp_6-31+g(d).firefly.inp (generated)

000601106.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000601106.mol 000601106.PUBCHEM 000601106.mol (via Jmol)
000601107.b3lyp_6-31g(d).inp

000601107.b3lyp_6-31g(d).qchem.inp (generated)

000601107.b3lyp_6-31g(d).gjf (generated)

000601107.b3lyp_6-31g(d).firefly.inp (generated)

000601107.b3lyp_6-31g(d).smash.inp (generated)

000601107.b3lyp_6-31g(d).nwchem.inp (generated) 000601107.b3lyp_6-31g(d).log.xz 000601107.mol 000601107.PUBCHEM 000601107.mol (via Jmol)
000601108.b3lyp_6-31g(d).inp

000601108.b3lyp_6-31g(d).qchem.inp (generated)

000601108.b3lyp_6-31g(d).gjf (generated)

000601108.b3lyp_6-31g(d).firefly.inp (generated)

000601108.b3lyp_6-31g(d).smash.inp (generated)

000601108.b3lyp_6-31g(d).nwchem.inp (generated) 000601108.b3lyp_6-31g(d).log.xz 000601108.td-b3lyp_6-31g+(d).inp 000601108.td-b3lyp_6-31g+(d).log.xz

000601108.td-b3lyp_6-31+g(d).qchem.inp (generated)

000601108.td-b3lyp_6-31+g(d).gjf (generated)

000601108.td-b3lyp_6-31+g(d).firefly.inp (generated)

000601108.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000601108.mol 000601108.PUBCHEM 000601108.mol (via Jmol)
000601111.b3lyp_6-31g(d).inp

000601111.b3lyp_6-31g(d).qchem.inp (generated)

000601111.b3lyp_6-31g(d).gjf (generated)

000601111.b3lyp_6-31g(d).firefly.inp (generated)

000601111.b3lyp_6-31g(d).smash.inp (generated)

000601111.b3lyp_6-31g(d).nwchem.inp (generated) 000601111.b3lyp_6-31g(d).log.xz 000601111.td-b3lyp_6-31g+(d).inp 000601111.td-b3lyp_6-31g+(d).log.xz

000601111.td-b3lyp_6-31+g(d).qchem.inp (generated)

000601111.td-b3lyp_6-31+g(d).gjf (generated)

000601111.td-b3lyp_6-31+g(d).firefly.inp (generated)

000601111.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000601111.mol 000601111.PUBCHEM 000601111.mol (via Jmol)
000601112.b3lyp_6-31g(d).inp

000601112.b3lyp_6-31g(d).qchem.inp (generated)

000601112.b3lyp_6-31g(d).gjf (generated)

000601112.b3lyp_6-31g(d).firefly.inp (generated)

000601112.b3lyp_6-31g(d).smash.inp (generated)

000601112.b3lyp_6-31g(d).nwchem.inp (generated) 000601112.b3lyp_6-31g(d).log.xz 000601112.td-b3lyp_6-31g+(d).inp 000601112.td-b3lyp_6-31g+(d).log.xz

000601112.td-b3lyp_6-31+g(d).qchem.inp (generated)

000601112.td-b3lyp_6-31+g(d).gjf (generated)

000601112.td-b3lyp_6-31+g(d).firefly.inp (generated)

000601112.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000601112.mol 000601112.PUBCHEM 000601112.mol (via Jmol)
000601116.b3lyp_6-31g(d).inp

000601116.b3lyp_6-31g(d).qchem.inp (generated)

000601116.b3lyp_6-31g(d).gjf (generated)

000601116.b3lyp_6-31g(d).firefly.inp (generated)

000601116.b3lyp_6-31g(d).smash.inp (generated)

000601116.b3lyp_6-31g(d).nwchem.inp (generated) 000601116.b3lyp_6-31g(d).log.xz 000601116.td-b3lyp_6-31g+(d).inp 000601116.td-b3lyp_6-31g+(d).log.xz

000601116.td-b3lyp_6-31+g(d).qchem.inp (generated)

000601116.td-b3lyp_6-31+g(d).gjf (generated)

000601116.td-b3lyp_6-31+g(d).firefly.inp (generated)

000601116.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000601116.mol 000601116.PUBCHEM 000601116.mol (via Jmol)
000601117.b3lyp_6-31g(d).inp

000601117.b3lyp_6-31g(d).qchem.inp (generated)

000601117.b3lyp_6-31g(d).gjf (generated)

000601117.b3lyp_6-31g(d).firefly.inp (generated)

000601117.b3lyp_6-31g(d).smash.inp (generated)

000601117.b3lyp_6-31g(d).nwchem.inp (generated) 000601117.b3lyp_6-31g(d).log.xz 000601117.td-b3lyp_6-31g+(d).inp 000601117.td-b3lyp_6-31g+(d).log.xz

000601117.td-b3lyp_6-31+g(d).qchem.inp (generated)

000601117.td-b3lyp_6-31+g(d).gjf (generated)

000601117.td-b3lyp_6-31+g(d).firefly.inp (generated)

000601117.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000601117.mol 000601117.PUBCHEM 000601117.mol (via Jmol)
000601118.b3lyp_6-31g(d).inp

000601118.b3lyp_6-31g(d).qchem.inp (generated)

000601118.b3lyp_6-31g(d).gjf (generated)

000601118.b3lyp_6-31g(d).firefly.inp (generated)

000601118.b3lyp_6-31g(d).smash.inp (generated)

000601118.b3lyp_6-31g(d).nwchem.inp (generated) 000601118.b3lyp_6-31g(d).log.xz 000601118.mol 000601118.PUBCHEM 000601118.mol (via Jmol)
000601119.b3lyp_6-31g(d).inp

000601119.b3lyp_6-31g(d).qchem.inp (generated)

000601119.b3lyp_6-31g(d).gjf (generated)

000601119.b3lyp_6-31g(d).firefly.inp (generated)

000601119.b3lyp_6-31g(d).smash.inp (generated)

000601119.b3lyp_6-31g(d).nwchem.inp (generated) 000601119.b3lyp_6-31g(d).log.xz 000601119.td-b3lyp_6-31g+(d).inp 000601119.td-b3lyp_6-31g+(d).log.xz

000601119.td-b3lyp_6-31+g(d).qchem.inp (generated)

000601119.td-b3lyp_6-31+g(d).gjf (generated)

000601119.td-b3lyp_6-31+g(d).firefly.inp (generated)

000601119.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000601119.mol 000601119.PUBCHEM 000601119.mol (via Jmol)
000601122.b3lyp_6-31g(d).inp

000601122.b3lyp_6-31g(d).qchem.inp (generated)

000601122.b3lyp_6-31g(d).gjf (generated)

000601122.b3lyp_6-31g(d).firefly.inp (generated)

000601122.b3lyp_6-31g(d).smash.inp (generated)

000601122.b3lyp_6-31g(d).nwchem.inp (generated) 000601122.b3lyp_6-31g(d).log.xz 000601122.td-b3lyp_6-31g+(d).inp 000601122.td-b3lyp_6-31g+(d).log.xz

000601122.td-b3lyp_6-31+g(d).qchem.inp (generated)

000601122.td-b3lyp_6-31+g(d).gjf (generated)

000601122.td-b3lyp_6-31+g(d).firefly.inp (generated)

000601122.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000601122.mol 000601122.PUBCHEM 000601122.mol (via Jmol)
000601123.b3lyp_6-31g(d).inp

000601123.b3lyp_6-31g(d).qchem.inp (generated)

000601123.b3lyp_6-31g(d).gjf (generated)

000601123.b3lyp_6-31g(d).firefly.inp (generated)

000601123.b3lyp_6-31g(d).smash.inp (generated)

000601123.b3lyp_6-31g(d).nwchem.inp (generated) 000601123.b3lyp_6-31g(d).log.xz 000601123.td-b3lyp_6-31g+(d).inp 000601123.td-b3lyp_6-31g+(d).log.xz

000601123.td-b3lyp_6-31+g(d).qchem.inp (generated)

000601123.td-b3lyp_6-31+g(d).gjf (generated)

000601123.td-b3lyp_6-31+g(d).firefly.inp (generated)

000601123.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000601123.mol 000601123.PUBCHEM 000601123.mol (via Jmol)
000601124.b3lyp_6-31g(d).inp

000601124.b3lyp_6-31g(d).qchem.inp (generated)

000601124.b3lyp_6-31g(d).gjf (generated)

000601124.b3lyp_6-31g(d).firefly.inp (generated)

000601124.b3lyp_6-31g(d).smash.inp (generated)

000601124.b3lyp_6-31g(d).nwchem.inp (generated) 000601124.b3lyp_6-31g(d).log.xz 000601124.td-b3lyp_6-31g+(d).inp 000601124.td-b3lyp_6-31g+(d).log.xz

000601124.td-b3lyp_6-31+g(d).qchem.inp (generated)

000601124.td-b3lyp_6-31+g(d).gjf (generated)

000601124.td-b3lyp_6-31+g(d).firefly.inp (generated)

000601124.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000601124.mol 000601124.PUBCHEM 000601124.mol (via Jmol)
000601126.b3lyp_6-31g(d).inp

000601126.b3lyp_6-31g(d).qchem.inp (generated)

000601126.b3lyp_6-31g(d).gjf (generated)

000601126.b3lyp_6-31g(d).firefly.inp (generated)

000601126.b3lyp_6-31g(d).smash.inp (generated)

000601126.b3lyp_6-31g(d).nwchem.inp (generated) 000601126.b3lyp_6-31g(d).log.xz 000601126.td-b3lyp_6-31g+(d).inp 000601126.td-b3lyp_6-31g+(d).log.xz

000601126.td-b3lyp_6-31+g(d).qchem.inp (generated)

000601126.td-b3lyp_6-31+g(d).gjf (generated)

000601126.td-b3lyp_6-31+g(d).firefly.inp (generated)

000601126.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000601126.mol 000601126.PUBCHEM 000601126.mol (via Jmol)
000601133.b3lyp_6-31g(d).inp

000601133.b3lyp_6-31g(d).qchem.inp (generated)

000601133.b3lyp_6-31g(d).gjf (generated)

000601133.b3lyp_6-31g(d).firefly.inp (generated)

000601133.b3lyp_6-31g(d).smash.inp (generated)

000601133.b3lyp_6-31g(d).nwchem.inp (generated) 000601133.b3lyp_6-31g(d).log.xz 000601133.td-b3lyp_6-31g+(d).inp 000601133.td-b3lyp_6-31g+(d).log.xz

000601133.td-b3lyp_6-31+g(d).qchem.inp (generated)

000601133.td-b3lyp_6-31+g(d).gjf (generated)

000601133.td-b3lyp_6-31+g(d).firefly.inp (generated)

000601133.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000601133.mol 000601133.PUBCHEM 000601133.mol (via Jmol)
000601134.b3lyp_6-31g(d).inp

000601134.b3lyp_6-31g(d).qchem.inp (generated)

000601134.b3lyp_6-31g(d).gjf (generated)

000601134.b3lyp_6-31g(d).firefly.inp (generated)

000601134.b3lyp_6-31g(d).smash.inp (generated)

000601134.b3lyp_6-31g(d).nwchem.inp (generated) 000601134.b3lyp_6-31g(d).log.xz 000601134.td-b3lyp_6-31g+(d).inp 000601134.td-b3lyp_6-31g+(d).log.xz

000601134.td-b3lyp_6-31+g(d).qchem.inp (generated)

000601134.td-b3lyp_6-31+g(d).gjf (generated)

000601134.td-b3lyp_6-31+g(d).firefly.inp (generated)

000601134.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000601134.mol 000601134.PUBCHEM 000601134.mol (via Jmol)
000601136.b3lyp_6-31g(d).inp

000601136.b3lyp_6-31g(d).qchem.inp (generated)

000601136.b3lyp_6-31g(d).gjf (generated)

000601136.b3lyp_6-31g(d).firefly.inp (generated)

000601136.b3lyp_6-31g(d).smash.inp (generated)

000601136.b3lyp_6-31g(d).nwchem.inp (generated) 000601136.b3lyp_6-31g(d).log.xz 000601136.td-b3lyp_6-31g+(d).inp 000601136.td-b3lyp_6-31g+(d).log.xz

000601136.td-b3lyp_6-31+g(d).qchem.inp (generated)

000601136.td-b3lyp_6-31+g(d).gjf (generated)

000601136.td-b3lyp_6-31+g(d).firefly.inp (generated)

000601136.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000601136.mol 000601136.PUBCHEM 000601136.mol (via Jmol)
000601137.b3lyp_6-31g(d).inp

000601137.b3lyp_6-31g(d).qchem.inp (generated)

000601137.b3lyp_6-31g(d).gjf (generated)

000601137.b3lyp_6-31g(d).firefly.inp (generated)

000601137.b3lyp_6-31g(d).smash.inp (generated)

000601137.b3lyp_6-31g(d).nwchem.inp (generated) 000601137.b3lyp_6-31g(d).log.xz 000601137.td-b3lyp_6-31g+(d).inp 000601137.td-b3lyp_6-31g+(d).log.xz

000601137.td-b3lyp_6-31+g(d).qchem.inp (generated)

000601137.td-b3lyp_6-31+g(d).gjf (generated)

000601137.td-b3lyp_6-31+g(d).firefly.inp (generated)

000601137.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000601137.mol 000601137.PUBCHEM 000601137.mol (via Jmol)
000601138.b3lyp_6-31g(d).inp

000601138.b3lyp_6-31g(d).qchem.inp (generated)

000601138.b3lyp_6-31g(d).gjf (generated)

000601138.b3lyp_6-31g(d).firefly.inp (generated)

000601138.b3lyp_6-31g(d).smash.inp (generated)

000601138.b3lyp_6-31g(d).nwchem.inp (generated) 000601138.b3lyp_6-31g(d).log.xz 000601138.td-b3lyp_6-31g+(d).inp 000601138.td-b3lyp_6-31g+(d).log.xz

000601138.td-b3lyp_6-31+g(d).qchem.inp (generated)

000601138.td-b3lyp_6-31+g(d).gjf (generated)

000601138.td-b3lyp_6-31+g(d).firefly.inp (generated)

000601138.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000601138.mol 000601138.PUBCHEM 000601138.mol (via Jmol)
000601139.b3lyp_6-31g(d).inp

000601139.b3lyp_6-31g(d).qchem.inp (generated)

000601139.b3lyp_6-31g(d).gjf (generated)

000601139.b3lyp_6-31g(d).firefly.inp (generated)

000601139.b3lyp_6-31g(d).smash.inp (generated)

000601139.b3lyp_6-31g(d).nwchem.inp (generated) 000601139.b3lyp_6-31g(d).log.xz 000601139.td-b3lyp_6-31g+(d).inp 000601139.td-b3lyp_6-31g+(d).log.xz

000601139.td-b3lyp_6-31+g(d).qchem.inp (generated)

000601139.td-b3lyp_6-31+g(d).gjf (generated)

000601139.td-b3lyp_6-31+g(d).firefly.inp (generated)

000601139.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000601139.mol 000601139.PUBCHEM 000601139.mol (via Jmol)
000601140.b3lyp_6-31g(d).inp

000601140.b3lyp_6-31g(d).qchem.inp (generated)

000601140.b3lyp_6-31g(d).gjf (generated)

000601140.b3lyp_6-31g(d).firefly.inp (generated)

000601140.b3lyp_6-31g(d).smash.inp (generated)

000601140.b3lyp_6-31g(d).nwchem.inp (generated) 000601140.b3lyp_6-31g(d).log.xz 000601140.td-b3lyp_6-31g+(d).inp 000601140.td-b3lyp_6-31g+(d).log.xz

000601140.td-b3lyp_6-31+g(d).qchem.inp (generated)

000601140.td-b3lyp_6-31+g(d).gjf (generated)

000601140.td-b3lyp_6-31+g(d).firefly.inp (generated)

000601140.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000601140.mol 000601140.PUBCHEM 000601140.mol (via Jmol)
000601141.b3lyp_6-31g(d).inp

000601141.b3lyp_6-31g(d).qchem.inp (generated)

000601141.b3lyp_6-31g(d).gjf (generated)

000601141.b3lyp_6-31g(d).firefly.inp (generated)

000601141.b3lyp_6-31g(d).smash.inp (generated)

000601141.b3lyp_6-31g(d).nwchem.inp (generated) 000601141.b3lyp_6-31g(d).log.xz 000601141.td-b3lyp_6-31g+(d).inp 000601141.td-b3lyp_6-31g+(d).log.xz

000601141.td-b3lyp_6-31+g(d).qchem.inp (generated)

000601141.td-b3lyp_6-31+g(d).gjf (generated)

000601141.td-b3lyp_6-31+g(d).firefly.inp (generated)

000601141.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000601141.mol 000601141.PUBCHEM 000601141.mol (via Jmol)
000601143.b3lyp_6-31g(d).inp

000601143.b3lyp_6-31g(d).qchem.inp (generated)

000601143.b3lyp_6-31g(d).gjf (generated)

000601143.b3lyp_6-31g(d).firefly.inp (generated)

000601143.b3lyp_6-31g(d).smash.inp (generated)

000601143.b3lyp_6-31g(d).nwchem.inp (generated) 000601143.b3lyp_6-31g(d).log.xz 000601143.mol 000601143.PUBCHEM 000601143.mol (via Jmol)
000601146.b3lyp_6-31g(d).inp

000601146.b3lyp_6-31g(d).qchem.inp (generated)

000601146.b3lyp_6-31g(d).gjf (generated)

000601146.b3lyp_6-31g(d).firefly.inp (generated)

000601146.b3lyp_6-31g(d).smash.inp (generated)

000601146.b3lyp_6-31g(d).nwchem.inp (generated) 000601146.b3lyp_6-31g(d).log.xz 000601146.td-b3lyp_6-31g+(d).inp 000601146.td-b3lyp_6-31g+(d).log.xz

000601146.td-b3lyp_6-31+g(d).qchem.inp (generated)

000601146.td-b3lyp_6-31+g(d).gjf (generated)

000601146.td-b3lyp_6-31+g(d).firefly.inp (generated)

000601146.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000601146.mol 000601146.PUBCHEM 000601146.mol (via Jmol)
000601147.b3lyp_6-31g(d).inp

000601147.b3lyp_6-31g(d).qchem.inp (generated)

000601147.b3lyp_6-31g(d).gjf (generated)

000601147.b3lyp_6-31g(d).firefly.inp (generated)

000601147.b3lyp_6-31g(d).smash.inp (generated)

000601147.b3lyp_6-31g(d).nwchem.inp (generated) 000601147.b3lyp_6-31g(d).log.xz 000601147.td-b3lyp_6-31g+(d).inp 000601147.td-b3lyp_6-31g+(d).log.xz

000601147.td-b3lyp_6-31+g(d).qchem.inp (generated)

000601147.td-b3lyp_6-31+g(d).gjf (generated)

000601147.td-b3lyp_6-31+g(d).firefly.inp (generated)

000601147.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000601147.mol 000601147.PUBCHEM 000601147.mol (via Jmol)
000601148.b3lyp_6-31g(d).inp

000601148.b3lyp_6-31g(d).qchem.inp (generated)

000601148.b3lyp_6-31g(d).gjf (generated)

000601148.b3lyp_6-31g(d).firefly.inp (generated)

000601148.b3lyp_6-31g(d).smash.inp (generated)

000601148.b3lyp_6-31g(d).nwchem.inp (generated) 000601148.b3lyp_6-31g(d).log.xz 000601148.td-b3lyp_6-31g+(d).inp 000601148.td-b3lyp_6-31g+(d).log.xz

000601148.td-b3lyp_6-31+g(d).qchem.inp (generated)

000601148.td-b3lyp_6-31+g(d).gjf (generated)

000601148.td-b3lyp_6-31+g(d).firefly.inp (generated)

000601148.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000601148.mol 000601148.PUBCHEM 000601148.mol (via Jmol)
000601150.b3lyp_6-31g(d).inp

000601150.b3lyp_6-31g(d).qchem.inp (generated)

000601150.b3lyp_6-31g(d).gjf (generated)

000601150.b3lyp_6-31g(d).firefly.inp (generated)

000601150.b3lyp_6-31g(d).smash.inp (generated)

000601150.b3lyp_6-31g(d).nwchem.inp (generated) 000601150.b3lyp_6-31g(d).log.xz 000601150.mol 000601150.PUBCHEM 000601150.mol (via Jmol)
000601152.b3lyp_6-31g(d).inp

000601152.b3lyp_6-31g(d).qchem.inp (generated)

000601152.b3lyp_6-31g(d).gjf (generated)

000601152.b3lyp_6-31g(d).firefly.inp (generated)

000601152.b3lyp_6-31g(d).smash.inp (generated)

000601152.b3lyp_6-31g(d).nwchem.inp (generated) 000601152.b3lyp_6-31g(d).log.xz 000601152.td-b3lyp_6-31g+(d).inp 000601152.td-b3lyp_6-31g+(d).log.xz

000601152.td-b3lyp_6-31+g(d).qchem.inp (generated)

000601152.td-b3lyp_6-31+g(d).gjf (generated)

000601152.td-b3lyp_6-31+g(d).firefly.inp (generated)

000601152.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000601152.mol 000601152.PUBCHEM 000601152.mol (via Jmol)
000601153.b3lyp_6-31g(d).inp

000601153.b3lyp_6-31g(d).qchem.inp (generated)

000601153.b3lyp_6-31g(d).gjf (generated)

000601153.b3lyp_6-31g(d).firefly.inp (generated)

000601153.b3lyp_6-31g(d).smash.inp (generated)

000601153.b3lyp_6-31g(d).nwchem.inp (generated) 000601153.b3lyp_6-31g(d).log.xz 000601153.td-b3lyp_6-31g+(d).inp 000601153.td-b3lyp_6-31g+(d).log.xz

000601153.td-b3lyp_6-31+g(d).qchem.inp (generated)

000601153.td-b3lyp_6-31+g(d).gjf (generated)

000601153.td-b3lyp_6-31+g(d).firefly.inp (generated)

000601153.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000601153.mol 000601153.PUBCHEM 000601153.mol (via Jmol)
000601154.b3lyp_6-31g(d).inp

000601154.b3lyp_6-31g(d).qchem.inp (generated)

000601154.b3lyp_6-31g(d).gjf (generated)

000601154.b3lyp_6-31g(d).firefly.inp (generated)

000601154.b3lyp_6-31g(d).smash.inp (generated)

000601154.b3lyp_6-31g(d).nwchem.inp (generated) 000601154.b3lyp_6-31g(d).log.xz 000601154.td-b3lyp_6-31g+(d).inp 000601154.td-b3lyp_6-31g+(d).log.xz

000601154.td-b3lyp_6-31+g(d).qchem.inp (generated)

000601154.td-b3lyp_6-31+g(d).gjf (generated)

000601154.td-b3lyp_6-31+g(d).firefly.inp (generated)

000601154.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000601154.mol 000601154.PUBCHEM 000601154.mol (via Jmol)
000601157.b3lyp_6-31g(d).inp

000601157.b3lyp_6-31g(d).qchem.inp (generated)

000601157.b3lyp_6-31g(d).gjf (generated)

000601157.b3lyp_6-31g(d).firefly.inp (generated)

000601157.b3lyp_6-31g(d).smash.inp (generated)

000601157.b3lyp_6-31g(d).nwchem.inp (generated) 000601157.b3lyp_6-31g(d).log.xz 000601157.td-b3lyp_6-31g+(d).inp 000601157.td-b3lyp_6-31g+(d).log.xz

000601157.td-b3lyp_6-31+g(d).qchem.inp (generated)

000601157.td-b3lyp_6-31+g(d).gjf (generated)

000601157.td-b3lyp_6-31+g(d).firefly.inp (generated)

000601157.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000601157.mol 000601157.PUBCHEM 000601157.mol (via Jmol)
000601159.b3lyp_6-31g(d).inp

000601159.b3lyp_6-31g(d).qchem.inp (generated)

000601159.b3lyp_6-31g(d).gjf (generated)

000601159.b3lyp_6-31g(d).firefly.inp (generated)

000601159.b3lyp_6-31g(d).smash.inp (generated)

000601159.b3lyp_6-31g(d).nwchem.inp (generated) 000601159.b3lyp_6-31g(d).log.xz 000601159.td-b3lyp_6-31g+(d).inp 000601159.td-b3lyp_6-31g+(d).log.xz

000601159.td-b3lyp_6-31+g(d).qchem.inp (generated)

000601159.td-b3lyp_6-31+g(d).gjf (generated)

000601159.td-b3lyp_6-31+g(d).firefly.inp (generated)

000601159.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000601159.mol 000601159.PUBCHEM 000601159.mol (via Jmol)
000601160.b3lyp_6-31g(d).inp

000601160.b3lyp_6-31g(d).qchem.inp (generated)

000601160.b3lyp_6-31g(d).gjf (generated)

000601160.b3lyp_6-31g(d).firefly.inp (generated)

000601160.b3lyp_6-31g(d).smash.inp (generated)

000601160.b3lyp_6-31g(d).nwchem.inp (generated) 000601160.b3lyp_6-31g(d).log.xz 000601160.td-b3lyp_6-31g+(d).inp 000601160.td-b3lyp_6-31g+(d).log.xz

000601160.td-b3lyp_6-31+g(d).qchem.inp (generated)

000601160.td-b3lyp_6-31+g(d).gjf (generated)

000601160.td-b3lyp_6-31+g(d).firefly.inp (generated)

000601160.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000601160.mol 000601160.PUBCHEM 000601160.mol (via Jmol)
000601162.b3lyp_6-31g(d).inp

000601162.b3lyp_6-31g(d).qchem.inp (generated)

000601162.b3lyp_6-31g(d).gjf (generated)

000601162.b3lyp_6-31g(d).firefly.inp (generated)

000601162.b3lyp_6-31g(d).smash.inp (generated)

000601162.b3lyp_6-31g(d).nwchem.inp (generated) 000601162.b3lyp_6-31g(d).log.xz 000601162.mol 000601162.PUBCHEM 000601162.mol (via Jmol)
000601163.b3lyp_6-31g(d).inp

000601163.b3lyp_6-31g(d).qchem.inp (generated)

000601163.b3lyp_6-31g(d).gjf (generated)

000601163.b3lyp_6-31g(d).firefly.inp (generated)

000601163.b3lyp_6-31g(d).smash.inp (generated)

000601163.b3lyp_6-31g(d).nwchem.inp (generated) 000601163.b3lyp_6-31g(d).log.xz 000601163.td-b3lyp_6-31g+(d).inp 000601163.td-b3lyp_6-31g+(d).log.xz

000601163.td-b3lyp_6-31+g(d).qchem.inp (generated)

000601163.td-b3lyp_6-31+g(d).gjf (generated)

000601163.td-b3lyp_6-31+g(d).firefly.inp (generated)

000601163.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000601163.mol 000601163.PUBCHEM 000601163.mol (via Jmol)
000601165.b3lyp_6-31g(d).inp

000601165.b3lyp_6-31g(d).qchem.inp (generated)

000601165.b3lyp_6-31g(d).gjf (generated)

000601165.b3lyp_6-31g(d).firefly.inp (generated)

000601165.b3lyp_6-31g(d).smash.inp (generated)

000601165.b3lyp_6-31g(d).nwchem.inp (generated) 000601165.b3lyp_6-31g(d).log.xz 000601165.td-b3lyp_6-31g+(d).inp 000601165.td-b3lyp_6-31g+(d).log.xz

000601165.td-b3lyp_6-31+g(d).qchem.inp (generated)

000601165.td-b3lyp_6-31+g(d).gjf (generated)

000601165.td-b3lyp_6-31+g(d).firefly.inp (generated)

000601165.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000601165.mol 000601165.PUBCHEM 000601165.mol (via Jmol)
000601169.b3lyp_6-31g(d).inp

000601169.b3lyp_6-31g(d).qchem.inp (generated)

000601169.b3lyp_6-31g(d).gjf (generated)

000601169.b3lyp_6-31g(d).firefly.inp (generated)

000601169.b3lyp_6-31g(d).smash.inp (generated)

000601169.b3lyp_6-31g(d).nwchem.inp (generated) 000601169.b3lyp_6-31g(d).log.xz 000601169.td-b3lyp_6-31g+(d).inp 000601169.td-b3lyp_6-31g+(d).log.xz

000601169.td-b3lyp_6-31+g(d).qchem.inp (generated)

000601169.td-b3lyp_6-31+g(d).gjf (generated)

000601169.td-b3lyp_6-31+g(d).firefly.inp (generated)

000601169.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000601169.mol 000601169.PUBCHEM 000601169.mol (via Jmol)
000601176.b3lyp_6-31g(d).inp

000601176.b3lyp_6-31g(d).qchem.inp (generated)

000601176.b3lyp_6-31g(d).gjf (generated)

000601176.b3lyp_6-31g(d).firefly.inp (generated)

000601176.b3lyp_6-31g(d).smash.inp (generated)

000601176.b3lyp_6-31g(d).nwchem.inp (generated) 000601176.b3lyp_6-31g(d).log.xz 000601176.td-b3lyp_6-31g+(d).inp 000601176.td-b3lyp_6-31g+(d).log.xz

000601176.td-b3lyp_6-31+g(d).qchem.inp (generated)

000601176.td-b3lyp_6-31+g(d).gjf (generated)

000601176.td-b3lyp_6-31+g(d).firefly.inp (generated)

000601176.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000601176.mol 000601176.PUBCHEM 000601176.mol (via Jmol)
000601186.b3lyp_6-31g(d).inp

000601186.b3lyp_6-31g(d).qchem.inp (generated)

000601186.b3lyp_6-31g(d).gjf (generated)

000601186.b3lyp_6-31g(d).firefly.inp (generated)

000601186.b3lyp_6-31g(d).smash.inp (generated)

000601186.b3lyp_6-31g(d).nwchem.inp (generated) 000601186.b3lyp_6-31g(d).log.xz 000601186.td-b3lyp_6-31g+(d).inp 000601186.td-b3lyp_6-31g+(d).log.xz

000601186.td-b3lyp_6-31+g(d).qchem.inp (generated)

000601186.td-b3lyp_6-31+g(d).gjf (generated)

000601186.td-b3lyp_6-31+g(d).firefly.inp (generated)

000601186.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000601186.mol 000601186.PUBCHEM 000601186.mol (via Jmol)
000601190.b3lyp_6-31g(d).inp

000601190.b3lyp_6-31g(d).qchem.inp (generated)

000601190.b3lyp_6-31g(d).gjf (generated)

000601190.b3lyp_6-31g(d).firefly.inp (generated)

000601190.b3lyp_6-31g(d).smash.inp (generated)

000601190.b3lyp_6-31g(d).nwchem.inp (generated) 000601190.b3lyp_6-31g(d).log.xz 000601190.mol 000601190.PUBCHEM 000601190.mol (via Jmol)
000601191.b3lyp_6-31g(d).inp

000601191.b3lyp_6-31g(d).qchem.inp (generated)

000601191.b3lyp_6-31g(d).gjf (generated)

000601191.b3lyp_6-31g(d).firefly.inp (generated)

000601191.b3lyp_6-31g(d).smash.inp (generated)

000601191.b3lyp_6-31g(d).nwchem.inp (generated) 000601191.b3lyp_6-31g(d).log.xz 000601191.td-b3lyp_6-31g+(d).inp 000601191.td-b3lyp_6-31g+(d).log.xz

000601191.td-b3lyp_6-31+g(d).qchem.inp (generated)

000601191.td-b3lyp_6-31+g(d).gjf (generated)

000601191.td-b3lyp_6-31+g(d).firefly.inp (generated)

000601191.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000601191.mol 000601191.PUBCHEM 000601191.mol (via Jmol)
000601192.b3lyp_6-31g(d).inp

000601192.b3lyp_6-31g(d).qchem.inp (generated)

000601192.b3lyp_6-31g(d).gjf (generated)

000601192.b3lyp_6-31g(d).firefly.inp (generated)

000601192.b3lyp_6-31g(d).smash.inp (generated)

000601192.b3lyp_6-31g(d).nwchem.inp (generated) 000601192.b3lyp_6-31g(d).log.xz 000601192.td-b3lyp_6-31g+(d).inp 000601192.td-b3lyp_6-31g+(d).log.xz

000601192.td-b3lyp_6-31+g(d).qchem.inp (generated)

000601192.td-b3lyp_6-31+g(d).gjf (generated)

000601192.td-b3lyp_6-31+g(d).firefly.inp (generated)

000601192.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000601192.mol 000601192.PUBCHEM 000601192.mol (via Jmol)
000601193.b3lyp_6-31g(d).inp

000601193.b3lyp_6-31g(d).qchem.inp (generated)

000601193.b3lyp_6-31g(d).gjf (generated)

000601193.b3lyp_6-31g(d).firefly.inp (generated)

000601193.b3lyp_6-31g(d).smash.inp (generated)

000601193.b3lyp_6-31g(d).nwchem.inp (generated) 000601193.b3lyp_6-31g(d).log.xz 000601193.td-b3lyp_6-31g+(d).inp 000601193.td-b3lyp_6-31g+(d).log.xz

000601193.td-b3lyp_6-31+g(d).qchem.inp (generated)

000601193.td-b3lyp_6-31+g(d).gjf (generated)

000601193.td-b3lyp_6-31+g(d).firefly.inp (generated)

000601193.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000601193.mol 000601193.PUBCHEM 000601193.mol (via Jmol)
000601195.b3lyp_6-31g(d).inp

000601195.b3lyp_6-31g(d).qchem.inp (generated)

000601195.b3lyp_6-31g(d).gjf (generated)

000601195.b3lyp_6-31g(d).firefly.inp (generated)

000601195.b3lyp_6-31g(d).smash.inp (generated)

000601195.b3lyp_6-31g(d).nwchem.inp (generated) 000601195.b3lyp_6-31g(d).log.xz 000601195.td-b3lyp_6-31g+(d).inp 000601195.td-b3lyp_6-31g+(d).log.xz

000601195.td-b3lyp_6-31+g(d).qchem.inp (generated)

000601195.td-b3lyp_6-31+g(d).gjf (generated)

000601195.td-b3lyp_6-31+g(d).firefly.inp (generated)

000601195.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000601195.mol 000601195.PUBCHEM 000601195.mol (via Jmol)
000601197.b3lyp_6-31g(d).inp

000601197.b3lyp_6-31g(d).qchem.inp (generated)

000601197.b3lyp_6-31g(d).gjf (generated)

000601197.b3lyp_6-31g(d).firefly.inp (generated)

000601197.b3lyp_6-31g(d).smash.inp (generated)

000601197.b3lyp_6-31g(d).nwchem.inp (generated) 000601197.b3lyp_6-31g(d).log.xz 000601197.td-b3lyp_6-31g+(d).inp 000601197.td-b3lyp_6-31g+(d).log.xz

000601197.td-b3lyp_6-31+g(d).qchem.inp (generated)

000601197.td-b3lyp_6-31+g(d).gjf (generated)

000601197.td-b3lyp_6-31+g(d).firefly.inp (generated)

000601197.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000601197.mol 000601197.PUBCHEM 000601197.mol (via Jmol)
000601203.b3lyp_6-31g(d).inp

000601203.b3lyp_6-31g(d).qchem.inp (generated)

000601203.b3lyp_6-31g(d).gjf (generated)

000601203.b3lyp_6-31g(d).firefly.inp (generated)

000601203.b3lyp_6-31g(d).smash.inp (generated)

000601203.b3lyp_6-31g(d).nwchem.inp (generated) 000601203.b3lyp_6-31g(d).log.xz 000601203.td-b3lyp_6-31g+(d).inp 000601203.td-b3lyp_6-31g+(d).log.xz

000601203.td-b3lyp_6-31+g(d).qchem.inp (generated)

000601203.td-b3lyp_6-31+g(d).gjf (generated)

000601203.td-b3lyp_6-31+g(d).firefly.inp (generated)

000601203.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000601203.mol 000601203.PUBCHEM 000601203.mol (via Jmol)
000601204.b3lyp_6-31g(d).inp

000601204.b3lyp_6-31g(d).qchem.inp (generated)

000601204.b3lyp_6-31g(d).gjf (generated)

000601204.b3lyp_6-31g(d).firefly.inp (generated)

000601204.b3lyp_6-31g(d).smash.inp (generated)

000601204.b3lyp_6-31g(d).nwchem.inp (generated) 000601204.b3lyp_6-31g(d).log.xz 000601204.td-b3lyp_6-31g+(d).inp 000601204.td-b3lyp_6-31g+(d).log.xz

000601204.td-b3lyp_6-31+g(d).qchem.inp (generated)

000601204.td-b3lyp_6-31+g(d).gjf (generated)

000601204.td-b3lyp_6-31+g(d).firefly.inp (generated)

000601204.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000601204.mol 000601204.PUBCHEM 000601204.mol (via Jmol)
000601205.b3lyp_6-31g(d).inp

000601205.b3lyp_6-31g(d).qchem.inp (generated)

000601205.b3lyp_6-31g(d).gjf (generated)

000601205.b3lyp_6-31g(d).firefly.inp (generated)

000601205.b3lyp_6-31g(d).smash.inp (generated)

000601205.b3lyp_6-31g(d).nwchem.inp (generated) 000601205.b3lyp_6-31g(d).log.xz 000601205.mol 000601205.PUBCHEM 000601205.mol (via Jmol)
000601206.b3lyp_6-31g(d).inp

000601206.b3lyp_6-31g(d).qchem.inp (generated)

000601206.b3lyp_6-31g(d).gjf (generated)

000601206.b3lyp_6-31g(d).firefly.inp (generated)

000601206.b3lyp_6-31g(d).smash.inp (generated)

000601206.b3lyp_6-31g(d).nwchem.inp (generated) 000601206.b3lyp_6-31g(d).log.xz 000601206.td-b3lyp_6-31g+(d).inp 000601206.td-b3lyp_6-31g+(d).log.xz

000601206.td-b3lyp_6-31+g(d).qchem.inp (generated)

000601206.td-b3lyp_6-31+g(d).gjf (generated)

000601206.td-b3lyp_6-31+g(d).firefly.inp (generated)

000601206.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000601206.mol 000601206.PUBCHEM 000601206.mol (via Jmol)
000601207.b3lyp_6-31g(d).inp

000601207.b3lyp_6-31g(d).qchem.inp (generated)

000601207.b3lyp_6-31g(d).gjf (generated)

000601207.b3lyp_6-31g(d).firefly.inp (generated)

000601207.b3lyp_6-31g(d).smash.inp (generated)

000601207.b3lyp_6-31g(d).nwchem.inp (generated) 000601207.b3lyp_6-31g(d).log.xz 000601207.td-b3lyp_6-31g+(d).inp 000601207.td-b3lyp_6-31g+(d).log.xz

000601207.td-b3lyp_6-31+g(d).qchem.inp (generated)

000601207.td-b3lyp_6-31+g(d).gjf (generated)

000601207.td-b3lyp_6-31+g(d).firefly.inp (generated)

000601207.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000601207.mol 000601207.PUBCHEM 000601207.mol (via Jmol)
000601208.b3lyp_6-31g(d).inp

000601208.b3lyp_6-31g(d).qchem.inp (generated)

000601208.b3lyp_6-31g(d).gjf (generated)

000601208.b3lyp_6-31g(d).firefly.inp (generated)

000601208.b3lyp_6-31g(d).smash.inp (generated)

000601208.b3lyp_6-31g(d).nwchem.inp (generated) 000601208.b3lyp_6-31g(d).log.xz 000601208.td-b3lyp_6-31g+(d).inp 000601208.td-b3lyp_6-31g+(d).log.xz

000601208.td-b3lyp_6-31+g(d).qchem.inp (generated)

000601208.td-b3lyp_6-31+g(d).gjf (generated)

000601208.td-b3lyp_6-31+g(d).firefly.inp (generated)

000601208.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000601208.mol 000601208.PUBCHEM 000601208.mol (via Jmol)
000601211.b3lyp_6-31g(d).inp

000601211.b3lyp_6-31g(d).qchem.inp (generated)

000601211.b3lyp_6-31g(d).gjf (generated)

000601211.b3lyp_6-31g(d).firefly.inp (generated)

000601211.b3lyp_6-31g(d).smash.inp (generated)

000601211.b3lyp_6-31g(d).nwchem.inp (generated) 000601211.b3lyp_6-31g(d).log.xz 000601211.mol 000601211.PUBCHEM 000601211.mol (via Jmol)
000601212.b3lyp_6-31g(d).inp

000601212.b3lyp_6-31g(d).qchem.inp (generated)

000601212.b3lyp_6-31g(d).gjf (generated)

000601212.b3lyp_6-31g(d).firefly.inp (generated)

000601212.b3lyp_6-31g(d).smash.inp (generated)

000601212.b3lyp_6-31g(d).nwchem.inp (generated) 000601212.b3lyp_6-31g(d).log.xz 000601212.td-b3lyp_6-31g+(d).inp 000601212.td-b3lyp_6-31g+(d).log.xz

000601212.td-b3lyp_6-31+g(d).qchem.inp (generated)

000601212.td-b3lyp_6-31+g(d).gjf (generated)

000601212.td-b3lyp_6-31+g(d).firefly.inp (generated)

000601212.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000601212.mol 000601212.PUBCHEM 000601212.mol (via Jmol)
000601215.b3lyp_6-31g(d).inp

000601215.b3lyp_6-31g(d).qchem.inp (generated)

000601215.b3lyp_6-31g(d).gjf (generated)

000601215.b3lyp_6-31g(d).firefly.inp (generated)

000601215.b3lyp_6-31g(d).smash.inp (generated)

000601215.b3lyp_6-31g(d).nwchem.inp (generated) 000601215.b3lyp_6-31g(d).log.xz 000601215.td-b3lyp_6-31g+(d).inp 000601215.td-b3lyp_6-31g+(d).log.xz

000601215.td-b3lyp_6-31+g(d).qchem.inp (generated)

000601215.td-b3lyp_6-31+g(d).gjf (generated)

000601215.td-b3lyp_6-31+g(d).firefly.inp (generated)

000601215.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000601215.mol 000601215.PUBCHEM 000601215.mol (via Jmol)
000601217.b3lyp_6-31g(d).inp

000601217.b3lyp_6-31g(d).qchem.inp (generated)

000601217.b3lyp_6-31g(d).gjf (generated)

000601217.b3lyp_6-31g(d).firefly.inp (generated)

000601217.b3lyp_6-31g(d).smash.inp (generated)

000601217.b3lyp_6-31g(d).nwchem.inp (generated) 000601217.b3lyp_6-31g(d).log.xz 000601217.td-b3lyp_6-31g+(d).inp 000601217.td-b3lyp_6-31g+(d).log.xz

000601217.td-b3lyp_6-31+g(d).qchem.inp (generated)

000601217.td-b3lyp_6-31+g(d).gjf (generated)

000601217.td-b3lyp_6-31+g(d).firefly.inp (generated)

000601217.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000601217.mol 000601217.PUBCHEM 000601217.mol (via Jmol)
000601220.b3lyp_6-31g(d).inp

000601220.b3lyp_6-31g(d).qchem.inp (generated)

000601220.b3lyp_6-31g(d).gjf (generated)

000601220.b3lyp_6-31g(d).firefly.inp (generated)

000601220.b3lyp_6-31g(d).smash.inp (generated)

000601220.b3lyp_6-31g(d).nwchem.inp (generated) 000601220.b3lyp_6-31g(d).log.xz 000601220.td-b3lyp_6-31g+(d).inp 000601220.td-b3lyp_6-31g+(d).log.xz

000601220.td-b3lyp_6-31+g(d).qchem.inp (generated)

000601220.td-b3lyp_6-31+g(d).gjf (generated)

000601220.td-b3lyp_6-31+g(d).firefly.inp (generated)

000601220.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000601220.mol 000601220.PUBCHEM 000601220.mol (via Jmol)
000601221.b3lyp_6-31g(d).inp

000601221.b3lyp_6-31g(d).qchem.inp (generated)

000601221.b3lyp_6-31g(d).gjf (generated)

000601221.b3lyp_6-31g(d).firefly.inp (generated)

000601221.b3lyp_6-31g(d).smash.inp (generated)

000601221.b3lyp_6-31g(d).nwchem.inp (generated) 000601221.b3lyp_6-31g(d).log.xz 000601221.td-b3lyp_6-31g+(d).inp 000601221.td-b3lyp_6-31g+(d).log.xz

000601221.td-b3lyp_6-31+g(d).qchem.inp (generated)

000601221.td-b3lyp_6-31+g(d).gjf (generated)

000601221.td-b3lyp_6-31+g(d).firefly.inp (generated)

000601221.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000601221.mol 000601221.PUBCHEM 000601221.mol (via Jmol)
000601222.b3lyp_6-31g(d).inp

000601222.b3lyp_6-31g(d).qchem.inp (generated)

000601222.b3lyp_6-31g(d).gjf (generated)

000601222.b3lyp_6-31g(d).firefly.inp (generated)

000601222.b3lyp_6-31g(d).smash.inp (generated)

000601222.b3lyp_6-31g(d).nwchem.inp (generated) 000601222.b3lyp_6-31g(d).log.xz 000601222.td-b3lyp_6-31g+(d).inp 000601222.td-b3lyp_6-31g+(d).log.xz

000601222.td-b3lyp_6-31+g(d).qchem.inp (generated)

000601222.td-b3lyp_6-31+g(d).gjf (generated)

000601222.td-b3lyp_6-31+g(d).firefly.inp (generated)

000601222.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000601222.mol 000601222.PUBCHEM 000601222.mol (via Jmol)
000601224.b3lyp_6-31g(d).inp

000601224.b3lyp_6-31g(d).qchem.inp (generated)

000601224.b3lyp_6-31g(d).gjf (generated)

000601224.b3lyp_6-31g(d).firefly.inp (generated)

000601224.b3lyp_6-31g(d).smash.inp (generated)

000601224.b3lyp_6-31g(d).nwchem.inp (generated) 000601224.b3lyp_6-31g(d).log.xz 000601224.td-b3lyp_6-31g+(d).inp 000601224.td-b3lyp_6-31g+(d).log.xz

000601224.td-b3lyp_6-31+g(d).qchem.inp (generated)

000601224.td-b3lyp_6-31+g(d).gjf (generated)

000601224.td-b3lyp_6-31+g(d).firefly.inp (generated)

000601224.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000601224.mol 000601224.PUBCHEM 000601224.mol (via Jmol)
000601225.b3lyp_6-31g(d).inp

000601225.b3lyp_6-31g(d).qchem.inp (generated)

000601225.b3lyp_6-31g(d).gjf (generated)

000601225.b3lyp_6-31g(d).firefly.inp (generated)

000601225.b3lyp_6-31g(d).smash.inp (generated)

000601225.b3lyp_6-31g(d).nwchem.inp (generated) 000601225.b3lyp_6-31g(d).log.xz 000601225.mol 000601225.PUBCHEM 000601225.mol (via Jmol)
000601227.b3lyp_6-31g(d).inp

000601227.b3lyp_6-31g(d).qchem.inp (generated)

000601227.b3lyp_6-31g(d).gjf (generated)

000601227.b3lyp_6-31g(d).firefly.inp (generated)

000601227.b3lyp_6-31g(d).smash.inp (generated)

000601227.b3lyp_6-31g(d).nwchem.inp (generated) 000601227.b3lyp_6-31g(d).log.xz 000601227.td-b3lyp_6-31g+(d).inp 000601227.td-b3lyp_6-31g+(d).log.xz

000601227.td-b3lyp_6-31+g(d).qchem.inp (generated)

000601227.td-b3lyp_6-31+g(d).gjf (generated)

000601227.td-b3lyp_6-31+g(d).firefly.inp (generated)

000601227.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000601227.mol 000601227.PUBCHEM 000601227.mol (via Jmol)
000601228.b3lyp_6-31g(d).inp

000601228.b3lyp_6-31g(d).qchem.inp (generated)

000601228.b3lyp_6-31g(d).gjf (generated)

000601228.b3lyp_6-31g(d).firefly.inp (generated)

000601228.b3lyp_6-31g(d).smash.inp (generated)

000601228.b3lyp_6-31g(d).nwchem.inp (generated) 000601228.b3lyp_6-31g(d).log.xz 000601228.mol 000601228.PUBCHEM 000601228.mol (via Jmol)
000601230.b3lyp_6-31g(d).inp

000601230.b3lyp_6-31g(d).qchem.inp (generated)

000601230.b3lyp_6-31g(d).gjf (generated)

000601230.b3lyp_6-31g(d).firefly.inp (generated)

000601230.b3lyp_6-31g(d).smash.inp (generated)

000601230.b3lyp_6-31g(d).nwchem.inp (generated) 000601230.b3lyp_6-31g(d).log.xz 000601230.mol 000601230.PUBCHEM 000601230.mol (via Jmol)
000601234.b3lyp_6-31g(d).inp

000601234.b3lyp_6-31g(d).qchem.inp (generated)

000601234.b3lyp_6-31g(d).gjf (generated)

000601234.b3lyp_6-31g(d).firefly.inp (generated)

000601234.b3lyp_6-31g(d).smash.inp (generated)

000601234.b3lyp_6-31g(d).nwchem.inp (generated) 000601234.b3lyp_6-31g(d).log.xz 000601234.mol 000601234.PUBCHEM 000601234.mol (via Jmol)
000601240.b3lyp_6-31g(d).inp

000601240.b3lyp_6-31g(d).qchem.inp (generated)

000601240.b3lyp_6-31g(d).gjf (generated)

000601240.b3lyp_6-31g(d).firefly.inp (generated)

000601240.b3lyp_6-31g(d).smash.inp (generated)

000601240.b3lyp_6-31g(d).nwchem.inp (generated) 000601240.b3lyp_6-31g(d).log.xz 000601240.mol 000601240.PUBCHEM 000601240.mol (via Jmol)
000601242.b3lyp_6-31g(d).inp

000601242.b3lyp_6-31g(d).qchem.inp (generated)

000601242.b3lyp_6-31g(d).gjf (generated)

000601242.b3lyp_6-31g(d).firefly.inp (generated)

000601242.b3lyp_6-31g(d).smash.inp (generated)

000601242.b3lyp_6-31g(d).nwchem.inp (generated) 000601242.b3lyp_6-31g(d).log.xz 000601242.td-b3lyp_6-31g+(d).inp 000601242.td-b3lyp_6-31g+(d).log.xz

000601242.td-b3lyp_6-31+g(d).qchem.inp (generated)

000601242.td-b3lyp_6-31+g(d).gjf (generated)

000601242.td-b3lyp_6-31+g(d).firefly.inp (generated)

000601242.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000601242.mol 000601242.PUBCHEM 000601242.mol (via Jmol)
000601243.b3lyp_6-31g(d).inp

000601243.b3lyp_6-31g(d).qchem.inp (generated)

000601243.b3lyp_6-31g(d).gjf (generated)

000601243.b3lyp_6-31g(d).firefly.inp (generated)

000601243.b3lyp_6-31g(d).smash.inp (generated)

000601243.b3lyp_6-31g(d).nwchem.inp (generated) 000601243.b3lyp_6-31g(d).log.xz 000601243.td-b3lyp_6-31g+(d).inp 000601243.td-b3lyp_6-31g+(d).log.xz

000601243.td-b3lyp_6-31+g(d).qchem.inp (generated)

000601243.td-b3lyp_6-31+g(d).gjf (generated)

000601243.td-b3lyp_6-31+g(d).firefly.inp (generated)

000601243.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000601243.mol 000601243.PUBCHEM 000601243.mol (via Jmol)
000601245.b3lyp_6-31g(d).inp

000601245.b3lyp_6-31g(d).qchem.inp (generated)

000601245.b3lyp_6-31g(d).gjf (generated)

000601245.b3lyp_6-31g(d).firefly.inp (generated)

000601245.b3lyp_6-31g(d).smash.inp (generated)

000601245.b3lyp_6-31g(d).nwchem.inp (generated) 000601245.b3lyp_6-31g(d).log.xz 000601245.td-b3lyp_6-31g+(d).inp 000601245.td-b3lyp_6-31g+(d).log.xz

000601245.td-b3lyp_6-31+g(d).qchem.inp (generated)

000601245.td-b3lyp_6-31+g(d).gjf (generated)

000601245.td-b3lyp_6-31+g(d).firefly.inp (generated)

000601245.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000601245.mol 000601245.PUBCHEM 000601245.mol (via Jmol)
000601248.b3lyp_6-31g(d).inp

000601248.b3lyp_6-31g(d).qchem.inp (generated)

000601248.b3lyp_6-31g(d).gjf (generated)

000601248.b3lyp_6-31g(d).firefly.inp (generated)

000601248.b3lyp_6-31g(d).smash.inp (generated)

000601248.b3lyp_6-31g(d).nwchem.inp (generated) 000601248.b3lyp_6-31g(d).log.xz 000601248.td-b3lyp_6-31g+(d).inp 000601248.td-b3lyp_6-31g+(d).log.xz

000601248.td-b3lyp_6-31+g(d).qchem.inp (generated)

000601248.td-b3lyp_6-31+g(d).gjf (generated)

000601248.td-b3lyp_6-31+g(d).firefly.inp (generated)

000601248.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000601248.mol 000601248.PUBCHEM 000601248.mol (via Jmol)
000601249.b3lyp_6-31g(d).inp

000601249.b3lyp_6-31g(d).qchem.inp (generated)

000601249.b3lyp_6-31g(d).gjf (generated)

000601249.b3lyp_6-31g(d).firefly.inp (generated)

000601249.b3lyp_6-31g(d).smash.inp (generated)

000601249.b3lyp_6-31g(d).nwchem.inp (generated) 000601249.b3lyp_6-31g(d).log.xz 000601249.td-b3lyp_6-31g+(d).inp 000601249.td-b3lyp_6-31g+(d).log.xz

000601249.td-b3lyp_6-31+g(d).qchem.inp (generated)

000601249.td-b3lyp_6-31+g(d).gjf (generated)

000601249.td-b3lyp_6-31+g(d).firefly.inp (generated)

000601249.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000601249.mol 000601249.PUBCHEM 000601249.mol (via Jmol)
000601250.b3lyp_6-31g(d).inp

000601250.b3lyp_6-31g(d).qchem.inp (generated)

000601250.b3lyp_6-31g(d).gjf (generated)

000601250.b3lyp_6-31g(d).firefly.inp (generated)

000601250.b3lyp_6-31g(d).smash.inp (generated)

000601250.b3lyp_6-31g(d).nwchem.inp (generated) 000601250.b3lyp_6-31g(d).log.xz 000601250.td-b3lyp_6-31g+(d).inp 000601250.td-b3lyp_6-31g+(d).log.xz

000601250.td-b3lyp_6-31+g(d).qchem.inp (generated)

000601250.td-b3lyp_6-31+g(d).gjf (generated)

000601250.td-b3lyp_6-31+g(d).firefly.inp (generated)

000601250.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000601250.mol 000601250.PUBCHEM 000601250.mol (via Jmol)
000601251.b3lyp_6-31g(d).inp

000601251.b3lyp_6-31g(d).qchem.inp (generated)

000601251.b3lyp_6-31g(d).gjf (generated)

000601251.b3lyp_6-31g(d).firefly.inp (generated)

000601251.b3lyp_6-31g(d).smash.inp (generated)

000601251.b3lyp_6-31g(d).nwchem.inp (generated) 000601251.b3lyp_6-31g(d).log.xz 000601251.td-b3lyp_6-31g+(d).inp 000601251.td-b3lyp_6-31g+(d).log.xz

000601251.td-b3lyp_6-31+g(d).qchem.inp (generated)

000601251.td-b3lyp_6-31+g(d).gjf (generated)

000601251.td-b3lyp_6-31+g(d).firefly.inp (generated)

000601251.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000601251.mol 000601251.PUBCHEM 000601251.mol (via Jmol)
000601252.b3lyp_6-31g(d).inp

000601252.b3lyp_6-31g(d).qchem.inp (generated)

000601252.b3lyp_6-31g(d).gjf (generated)

000601252.b3lyp_6-31g(d).firefly.inp (generated)

000601252.b3lyp_6-31g(d).smash.inp (generated)

000601252.b3lyp_6-31g(d).nwchem.inp (generated) 000601252.b3lyp_6-31g(d).log.xz 000601252.td-b3lyp_6-31g+(d).inp 000601252.td-b3lyp_6-31g+(d).log.xz

000601252.td-b3lyp_6-31+g(d).qchem.inp (generated)

000601252.td-b3lyp_6-31+g(d).gjf (generated)

000601252.td-b3lyp_6-31+g(d).firefly.inp (generated)

000601252.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000601252.mol 000601252.PUBCHEM 000601252.mol (via Jmol)
000601253.b3lyp_6-31g(d).inp

000601253.b3lyp_6-31g(d).qchem.inp (generated)

000601253.b3lyp_6-31g(d).gjf (generated)

000601253.b3lyp_6-31g(d).firefly.inp (generated)

000601253.b3lyp_6-31g(d).smash.inp (generated)

000601253.b3lyp_6-31g(d).nwchem.inp (generated) 000601253.b3lyp_6-31g(d).log.xz 000601253.td-b3lyp_6-31g+(d).inp 000601253.td-b3lyp_6-31g+(d).log.xz

000601253.td-b3lyp_6-31+g(d).qchem.inp (generated)

000601253.td-b3lyp_6-31+g(d).gjf (generated)

000601253.td-b3lyp_6-31+g(d).firefly.inp (generated)

000601253.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000601253.mol 000601253.PUBCHEM 000601253.mol (via Jmol)
000601258.b3lyp_6-31g(d).inp

000601258.b3lyp_6-31g(d).qchem.inp (generated)

000601258.b3lyp_6-31g(d).gjf (generated)

000601258.b3lyp_6-31g(d).firefly.inp (generated)

000601258.b3lyp_6-31g(d).smash.inp (generated)

000601258.b3lyp_6-31g(d).nwchem.inp (generated) 000601258.b3lyp_6-31g(d).log.xz 000601258.mol 000601258.PUBCHEM 000601258.mol (via Jmol)
000601263.b3lyp_6-31g(d).inp

000601263.b3lyp_6-31g(d).qchem.inp (generated)

000601263.b3lyp_6-31g(d).gjf (generated)

000601263.b3lyp_6-31g(d).firefly.inp (generated)

000601263.b3lyp_6-31g(d).smash.inp (generated)

000601263.b3lyp_6-31g(d).nwchem.inp (generated) 000601263.b3lyp_6-31g(d).log.xz 000601263.td-b3lyp_6-31g+(d).inp 000601263.td-b3lyp_6-31g+(d).log.xz

000601263.td-b3lyp_6-31+g(d).qchem.inp (generated)

000601263.td-b3lyp_6-31+g(d).gjf (generated)

000601263.td-b3lyp_6-31+g(d).firefly.inp (generated)

000601263.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000601263.mol 000601263.PUBCHEM 000601263.mol (via Jmol)
000601266.b3lyp_6-31g(d).inp

000601266.b3lyp_6-31g(d).qchem.inp (generated)

000601266.b3lyp_6-31g(d).gjf (generated)

000601266.b3lyp_6-31g(d).firefly.inp (generated)

000601266.b3lyp_6-31g(d).smash.inp (generated)

000601266.b3lyp_6-31g(d).nwchem.inp (generated) 000601266.b3lyp_6-31g(d).log.xz 000601266.mol 000601266.PUBCHEM 000601266.mol (via Jmol)
000601267.b3lyp_6-31g(d).inp

000601267.b3lyp_6-31g(d).qchem.inp (generated)

000601267.b3lyp_6-31g(d).gjf (generated)

000601267.b3lyp_6-31g(d).firefly.inp (generated)

000601267.b3lyp_6-31g(d).smash.inp (generated)

000601267.b3lyp_6-31g(d).nwchem.inp (generated) 000601267.b3lyp_6-31g(d).log.xz 000601267.td-b3lyp_6-31g+(d).inp 000601267.td-b3lyp_6-31g+(d).log.xz

000601267.td-b3lyp_6-31+g(d).qchem.inp (generated)

000601267.td-b3lyp_6-31+g(d).gjf (generated)

000601267.td-b3lyp_6-31+g(d).firefly.inp (generated)

000601267.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000601267.mol 000601267.PUBCHEM 000601267.mol (via Jmol)
000601270.b3lyp_6-31g(d).inp

000601270.b3lyp_6-31g(d).qchem.inp (generated)

000601270.b3lyp_6-31g(d).gjf (generated)

000601270.b3lyp_6-31g(d).firefly.inp (generated)

000601270.b3lyp_6-31g(d).smash.inp (generated)

000601270.b3lyp_6-31g(d).nwchem.inp (generated) 000601270.b3lyp_6-31g(d).log.xz 000601270.td-b3lyp_6-31g+(d).inp 000601270.td-b3lyp_6-31g+(d).log.xz

000601270.td-b3lyp_6-31+g(d).qchem.inp (generated)

000601270.td-b3lyp_6-31+g(d).gjf (generated)

000601270.td-b3lyp_6-31+g(d).firefly.inp (generated)

000601270.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000601270.mol 000601270.PUBCHEM 000601270.mol (via Jmol)
000601271.b3lyp_6-31g(d).inp

000601271.b3lyp_6-31g(d).qchem.inp (generated)

000601271.b3lyp_6-31g(d).gjf (generated)

000601271.b3lyp_6-31g(d).firefly.inp (generated)

000601271.b3lyp_6-31g(d).smash.inp (generated)

000601271.b3lyp_6-31g(d).nwchem.inp (generated) 000601271.b3lyp_6-31g(d).log.xz 000601271.td-b3lyp_6-31g+(d).inp 000601271.td-b3lyp_6-31g+(d).log.xz

000601271.td-b3lyp_6-31+g(d).qchem.inp (generated)

000601271.td-b3lyp_6-31+g(d).gjf (generated)

000601271.td-b3lyp_6-31+g(d).firefly.inp (generated)

000601271.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000601271.mol 000601271.PUBCHEM 000601271.mol (via Jmol)
000601277.b3lyp_6-31g(d).inp

000601277.b3lyp_6-31g(d).qchem.inp (generated)

000601277.b3lyp_6-31g(d).gjf (generated)

000601277.b3lyp_6-31g(d).firefly.inp (generated)

000601277.b3lyp_6-31g(d).smash.inp (generated)

000601277.b3lyp_6-31g(d).nwchem.inp (generated) 000601277.b3lyp_6-31g(d).log.xz 000601277.td-b3lyp_6-31g+(d).inp 000601277.td-b3lyp_6-31g+(d).log.xz

000601277.td-b3lyp_6-31+g(d).qchem.inp (generated)

000601277.td-b3lyp_6-31+g(d).gjf (generated)

000601277.td-b3lyp_6-31+g(d).firefly.inp (generated)

000601277.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000601277.mol 000601277.PUBCHEM 000601277.mol (via Jmol)
000601280.b3lyp_6-31g(d).inp

000601280.b3lyp_6-31g(d).qchem.inp (generated)

000601280.b3lyp_6-31g(d).gjf (generated)

000601280.b3lyp_6-31g(d).firefly.inp (generated)

000601280.b3lyp_6-31g(d).smash.inp (generated)

000601280.b3lyp_6-31g(d).nwchem.inp (generated) 000601280.b3lyp_6-31g(d).log.xz 000601280.td-b3lyp_6-31g+(d).inp 000601280.td-b3lyp_6-31g+(d).log.xz

000601280.td-b3lyp_6-31+g(d).qchem.inp (generated)

000601280.td-b3lyp_6-31+g(d).gjf (generated)

000601280.td-b3lyp_6-31+g(d).firefly.inp (generated)

000601280.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000601280.mol 000601280.PUBCHEM 000601280.mol (via Jmol)
000601281.b3lyp_6-31g(d).inp

000601281.b3lyp_6-31g(d).qchem.inp (generated)

000601281.b3lyp_6-31g(d).gjf (generated)

000601281.b3lyp_6-31g(d).firefly.inp (generated)

000601281.b3lyp_6-31g(d).smash.inp (generated)

000601281.b3lyp_6-31g(d).nwchem.inp (generated) 000601281.b3lyp_6-31g(d).log.xz 000601281.td-b3lyp_6-31g+(d).inp 000601281.td-b3lyp_6-31g+(d).log.xz

000601281.td-b3lyp_6-31+g(d).qchem.inp (generated)

000601281.td-b3lyp_6-31+g(d).gjf (generated)

000601281.td-b3lyp_6-31+g(d).firefly.inp (generated)

000601281.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000601281.mol 000601281.PUBCHEM 000601281.mol (via Jmol)
000601286.b3lyp_6-31g(d).inp

000601286.b3lyp_6-31g(d).qchem.inp (generated)

000601286.b3lyp_6-31g(d).gjf (generated)

000601286.b3lyp_6-31g(d).firefly.inp (generated)

000601286.b3lyp_6-31g(d).smash.inp (generated)

000601286.b3lyp_6-31g(d).nwchem.inp (generated) 000601286.b3lyp_6-31g(d).log.xz 000601286.mol 000601286.PUBCHEM 000601286.mol (via Jmol)
000601288.b3lyp_6-31g(d).inp

000601288.b3lyp_6-31g(d).qchem.inp (generated)

000601288.b3lyp_6-31g(d).gjf (generated)

000601288.b3lyp_6-31g(d).firefly.inp (generated)

000601288.b3lyp_6-31g(d).smash.inp (generated)

000601288.b3lyp_6-31g(d).nwchem.inp (generated) 000601288.b3lyp_6-31g(d).log.xz 000601288.td-b3lyp_6-31g+(d).inp 000601288.td-b3lyp_6-31g+(d).log.xz

000601288.td-b3lyp_6-31+g(d).qchem.inp (generated)

000601288.td-b3lyp_6-31+g(d).gjf (generated)

000601288.td-b3lyp_6-31+g(d).firefly.inp (generated)

000601288.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000601288.mol 000601288.PUBCHEM 000601288.mol (via Jmol)
000601289.b3lyp_6-31g(d).inp

000601289.b3lyp_6-31g(d).qchem.inp (generated)

000601289.b3lyp_6-31g(d).gjf (generated)

000601289.b3lyp_6-31g(d).firefly.inp (generated)

000601289.b3lyp_6-31g(d).smash.inp (generated)

000601289.b3lyp_6-31g(d).nwchem.inp (generated) 000601289.b3lyp_6-31g(d).log.xz 000601289.td-b3lyp_6-31g+(d).inp 000601289.td-b3lyp_6-31g+(d).log.xz

000601289.td-b3lyp_6-31+g(d).qchem.inp (generated)

000601289.td-b3lyp_6-31+g(d).gjf (generated)

000601289.td-b3lyp_6-31+g(d).firefly.inp (generated)

000601289.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000601289.mol 000601289.PUBCHEM 000601289.mol (via Jmol)
000601290.b3lyp_6-31g(d).inp

000601290.b3lyp_6-31g(d).qchem.inp (generated)

000601290.b3lyp_6-31g(d).gjf (generated)

000601290.b3lyp_6-31g(d).firefly.inp (generated)

000601290.b3lyp_6-31g(d).smash.inp (generated)

000601290.b3lyp_6-31g(d).nwchem.inp (generated) 000601290.b3lyp_6-31g(d).log.xz 000601290.td-b3lyp_6-31g+(d).inp 000601290.td-b3lyp_6-31g+(d).log.xz

000601290.td-b3lyp_6-31+g(d).qchem.inp (generated)

000601290.td-b3lyp_6-31+g(d).gjf (generated)

000601290.td-b3lyp_6-31+g(d).firefly.inp (generated)

000601290.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000601290.mol 000601290.PUBCHEM 000601290.mol (via Jmol)
000601291.b3lyp_6-31g(d).inp

000601291.b3lyp_6-31g(d).qchem.inp (generated)

000601291.b3lyp_6-31g(d).gjf (generated)

000601291.b3lyp_6-31g(d).firefly.inp (generated)

000601291.b3lyp_6-31g(d).smash.inp (generated)

000601291.b3lyp_6-31g(d).nwchem.inp (generated) 000601291.b3lyp_6-31g(d).log.xz 000601291.td-b3lyp_6-31g+(d).inp 000601291.td-b3lyp_6-31g+(d).log.xz

000601291.td-b3lyp_6-31+g(d).qchem.inp (generated)

000601291.td-b3lyp_6-31+g(d).gjf (generated)

000601291.td-b3lyp_6-31+g(d).firefly.inp (generated)

000601291.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000601291.mol 000601291.PUBCHEM 000601291.mol (via Jmol)
000601292.b3lyp_6-31g(d).inp

000601292.b3lyp_6-31g(d).qchem.inp (generated)

000601292.b3lyp_6-31g(d).gjf (generated)

000601292.b3lyp_6-31g(d).firefly.inp (generated)

000601292.b3lyp_6-31g(d).smash.inp (generated)

000601292.b3lyp_6-31g(d).nwchem.inp (generated) 000601292.b3lyp_6-31g(d).log.xz 000601292.td-b3lyp_6-31g+(d).inp 000601292.td-b3lyp_6-31g+(d).log.xz

000601292.td-b3lyp_6-31+g(d).qchem.inp (generated)

000601292.td-b3lyp_6-31+g(d).gjf (generated)

000601292.td-b3lyp_6-31+g(d).firefly.inp (generated)

000601292.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000601292.mol 000601292.PUBCHEM 000601292.mol (via Jmol)
000601293.b3lyp_6-31g(d).inp

000601293.b3lyp_6-31g(d).qchem.inp (generated)

000601293.b3lyp_6-31g(d).gjf (generated)

000601293.b3lyp_6-31g(d).firefly.inp (generated)

000601293.b3lyp_6-31g(d).smash.inp (generated)

000601293.b3lyp_6-31g(d).nwchem.inp (generated) 000601293.b3lyp_6-31g(d).log.xz 000601293.td-b3lyp_6-31g+(d).inp 000601293.td-b3lyp_6-31g+(d).log.xz

000601293.td-b3lyp_6-31+g(d).qchem.inp (generated)

000601293.td-b3lyp_6-31+g(d).gjf (generated)

000601293.td-b3lyp_6-31+g(d).firefly.inp (generated)

000601293.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000601293.mol 000601293.PUBCHEM 000601293.mol (via Jmol)
000601300.b3lyp_6-31g(d).inp

000601300.b3lyp_6-31g(d).qchem.inp (generated)

000601300.b3lyp_6-31g(d).gjf (generated)

000601300.b3lyp_6-31g(d).firefly.inp (generated)

000601300.b3lyp_6-31g(d).smash.inp (generated)

000601300.b3lyp_6-31g(d).nwchem.inp (generated) 000601300.b3lyp_6-31g(d).log.xz 000601300.td-b3lyp_6-31g+(d).inp 000601300.td-b3lyp_6-31g+(d).log.xz

000601300.td-b3lyp_6-31+g(d).qchem.inp (generated)

000601300.td-b3lyp_6-31+g(d).gjf (generated)

000601300.td-b3lyp_6-31+g(d).firefly.inp (generated)

000601300.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000601300.mol 000601300.PUBCHEM 000601300.mol (via Jmol)
000601304.b3lyp_6-31g(d).inp

000601304.b3lyp_6-31g(d).qchem.inp (generated)

000601304.b3lyp_6-31g(d).gjf (generated)

000601304.b3lyp_6-31g(d).firefly.inp (generated)

000601304.b3lyp_6-31g(d).smash.inp (generated)

000601304.b3lyp_6-31g(d).nwchem.inp (generated) 000601304.b3lyp_6-31g(d).log.xz 000601304.td-b3lyp_6-31g+(d).inp 000601304.td-b3lyp_6-31g+(d).log.xz

000601304.td-b3lyp_6-31+g(d).qchem.inp (generated)

000601304.td-b3lyp_6-31+g(d).gjf (generated)

000601304.td-b3lyp_6-31+g(d).firefly.inp (generated)

000601304.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000601304.mol 000601304.PUBCHEM 000601304.mol (via Jmol)
000601306.b3lyp_6-31g(d).inp

000601306.b3lyp_6-31g(d).qchem.inp (generated)

000601306.b3lyp_6-31g(d).gjf (generated)

000601306.b3lyp_6-31g(d).firefly.inp (generated)

000601306.b3lyp_6-31g(d).smash.inp (generated)

000601306.b3lyp_6-31g(d).nwchem.inp (generated) 000601306.b3lyp_6-31g(d).log.xz 000601306.td-b3lyp_6-31g+(d).inp 000601306.td-b3lyp_6-31g+(d).log.xz

000601306.td-b3lyp_6-31+g(d).qchem.inp (generated)

000601306.td-b3lyp_6-31+g(d).gjf (generated)

000601306.td-b3lyp_6-31+g(d).firefly.inp (generated)

000601306.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000601306.mol 000601306.PUBCHEM 000601306.mol (via Jmol)
000601308.b3lyp_6-31g(d).inp

000601308.b3lyp_6-31g(d).qchem.inp (generated)

000601308.b3lyp_6-31g(d).gjf (generated)

000601308.b3lyp_6-31g(d).firefly.inp (generated)

000601308.b3lyp_6-31g(d).smash.inp (generated)

000601308.b3lyp_6-31g(d).nwchem.inp (generated) 000601308.b3lyp_6-31g(d).log.xz 000601308.td-b3lyp_6-31g+(d).inp 000601308.td-b3lyp_6-31g+(d).log.xz

000601308.td-b3lyp_6-31+g(d).qchem.inp (generated)

000601308.td-b3lyp_6-31+g(d).gjf (generated)

000601308.td-b3lyp_6-31+g(d).firefly.inp (generated)

000601308.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000601308.mol 000601308.PUBCHEM 000601308.mol (via Jmol)
000601311.b3lyp_6-31g(d).inp

000601311.b3lyp_6-31g(d).qchem.inp (generated)

000601311.b3lyp_6-31g(d).gjf (generated)

000601311.b3lyp_6-31g(d).firefly.inp (generated)

000601311.b3lyp_6-31g(d).smash.inp (generated)

000601311.b3lyp_6-31g(d).nwchem.inp (generated) 000601311.b3lyp_6-31g(d).log.xz 000601311.td-b3lyp_6-31g+(d).inp 000601311.td-b3lyp_6-31g+(d).log.xz

000601311.td-b3lyp_6-31+g(d).qchem.inp (generated)

000601311.td-b3lyp_6-31+g(d).gjf (generated)

000601311.td-b3lyp_6-31+g(d).firefly.inp (generated)

000601311.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000601311.mol 000601311.PUBCHEM 000601311.mol (via Jmol)
000601314.b3lyp_6-31g(d).inp

000601314.b3lyp_6-31g(d).qchem.inp (generated)

000601314.b3lyp_6-31g(d).gjf (generated)

000601314.b3lyp_6-31g(d).firefly.inp (generated)

000601314.b3lyp_6-31g(d).smash.inp (generated)

000601314.b3lyp_6-31g(d).nwchem.inp (generated) 000601314.b3lyp_6-31g(d).log.xz 000601314.td-b3lyp_6-31g+(d).inp 000601314.td-b3lyp_6-31g+(d).log.xz

000601314.td-b3lyp_6-31+g(d).qchem.inp (generated)

000601314.td-b3lyp_6-31+g(d).gjf (generated)

000601314.td-b3lyp_6-31+g(d).firefly.inp (generated)

000601314.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000601314.mol 000601314.PUBCHEM 000601314.mol (via Jmol)
000601316.b3lyp_6-31g(d).inp

000601316.b3lyp_6-31g(d).qchem.inp (generated)

000601316.b3lyp_6-31g(d).gjf (generated)

000601316.b3lyp_6-31g(d).firefly.inp (generated)

000601316.b3lyp_6-31g(d).smash.inp (generated)

000601316.b3lyp_6-31g(d).nwchem.inp (generated) 000601316.b3lyp_6-31g(d).log.xz 000601316.td-b3lyp_6-31g+(d).inp 000601316.td-b3lyp_6-31g+(d).log.xz

000601316.td-b3lyp_6-31+g(d).qchem.inp (generated)

000601316.td-b3lyp_6-31+g(d).gjf (generated)

000601316.td-b3lyp_6-31+g(d).firefly.inp (generated)

000601316.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000601316.mol 000601316.PUBCHEM 000601316.mol (via Jmol)
000601323.b3lyp_6-31g(d).inp

000601323.b3lyp_6-31g(d).qchem.inp (generated)

000601323.b3lyp_6-31g(d).gjf (generated)

000601323.b3lyp_6-31g(d).firefly.inp (generated)

000601323.b3lyp_6-31g(d).smash.inp (generated)

000601323.b3lyp_6-31g(d).nwchem.inp (generated) 000601323.b3lyp_6-31g(d).log.xz 000601323.td-b3lyp_6-31g+(d).inp 000601323.td-b3lyp_6-31g+(d).log.xz

000601323.td-b3lyp_6-31+g(d).qchem.inp (generated)

000601323.td-b3lyp_6-31+g(d).gjf (generated)

000601323.td-b3lyp_6-31+g(d).firefly.inp (generated)

000601323.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000601323.mol 000601323.PUBCHEM 000601323.mol (via Jmol)
000601329.b3lyp_6-31g(d).inp

000601329.b3lyp_6-31g(d).qchem.inp (generated)

000601329.b3lyp_6-31g(d).gjf (generated)

000601329.b3lyp_6-31g(d).firefly.inp (generated)

000601329.b3lyp_6-31g(d).smash.inp (generated)

000601329.b3lyp_6-31g(d).nwchem.inp (generated) 000601329.b3lyp_6-31g(d).log.xz 000601329.td-b3lyp_6-31g+(d).inp 000601329.td-b3lyp_6-31g+(d).log.xz

000601329.td-b3lyp_6-31+g(d).qchem.inp (generated)

000601329.td-b3lyp_6-31+g(d).gjf (generated)

000601329.td-b3lyp_6-31+g(d).firefly.inp (generated)

000601329.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000601329.mol 000601329.PUBCHEM 000601329.mol (via Jmol)
000601330.b3lyp_6-31g(d).inp

000601330.b3lyp_6-31g(d).qchem.inp (generated)

000601330.b3lyp_6-31g(d).gjf (generated)

000601330.b3lyp_6-31g(d).firefly.inp (generated)

000601330.b3lyp_6-31g(d).smash.inp (generated)

000601330.b3lyp_6-31g(d).nwchem.inp (generated) 000601330.b3lyp_6-31g(d).log.xz 000601330.mol 000601330.PUBCHEM 000601330.mol (via Jmol)
000601331.b3lyp_6-31g(d).inp

000601331.b3lyp_6-31g(d).qchem.inp (generated)

000601331.b3lyp_6-31g(d).gjf (generated)

000601331.b3lyp_6-31g(d).firefly.inp (generated)

000601331.b3lyp_6-31g(d).smash.inp (generated)

000601331.b3lyp_6-31g(d).nwchem.inp (generated) 000601331.b3lyp_6-31g(d).log.xz 000601331.td-b3lyp_6-31g+(d).inp 000601331.td-b3lyp_6-31g+(d).log.xz

000601331.td-b3lyp_6-31+g(d).qchem.inp (generated)

000601331.td-b3lyp_6-31+g(d).gjf (generated)

000601331.td-b3lyp_6-31+g(d).firefly.inp (generated)

000601331.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000601331.mol 000601331.PUBCHEM 000601331.mol (via Jmol)
000601332.b3lyp_6-31g(d).inp

000601332.b3lyp_6-31g(d).qchem.inp (generated)

000601332.b3lyp_6-31g(d).gjf (generated)

000601332.b3lyp_6-31g(d).firefly.inp (generated)

000601332.b3lyp_6-31g(d).smash.inp (generated)

000601332.b3lyp_6-31g(d).nwchem.inp (generated) 000601332.b3lyp_6-31g(d).log.xz 000601332.td-b3lyp_6-31g+(d).inp 000601332.td-b3lyp_6-31g+(d).log.xz

000601332.td-b3lyp_6-31+g(d).qchem.inp (generated)

000601332.td-b3lyp_6-31+g(d).gjf (generated)

000601332.td-b3lyp_6-31+g(d).firefly.inp (generated)

000601332.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000601332.mol 000601332.PUBCHEM 000601332.mol (via Jmol)
000601333.b3lyp_6-31g(d).inp

000601333.b3lyp_6-31g(d).qchem.inp (generated)

000601333.b3lyp_6-31g(d).gjf (generated)

000601333.b3lyp_6-31g(d).firefly.inp (generated)

000601333.b3lyp_6-31g(d).smash.inp (generated)

000601333.b3lyp_6-31g(d).nwchem.inp (generated) 000601333.b3lyp_6-31g(d).log.xz 000601333.mol 000601333.PUBCHEM 000601333.mol (via Jmol)
000601336.b3lyp_6-31g(d).inp

000601336.b3lyp_6-31g(d).qchem.inp (generated)

000601336.b3lyp_6-31g(d).gjf (generated)

000601336.b3lyp_6-31g(d).firefly.inp (generated)

000601336.b3lyp_6-31g(d).smash.inp (generated)

000601336.b3lyp_6-31g(d).nwchem.inp (generated) 000601336.b3lyp_6-31g(d).log.xz 000601336.mol 000601336.PUBCHEM 000601336.mol (via Jmol)
000601343.b3lyp_6-31g(d).inp

000601343.b3lyp_6-31g(d).qchem.inp (generated)

000601343.b3lyp_6-31g(d).gjf (generated)

000601343.b3lyp_6-31g(d).firefly.inp (generated)

000601343.b3lyp_6-31g(d).smash.inp (generated)

000601343.b3lyp_6-31g(d).nwchem.inp (generated) 000601343.b3lyp_6-31g(d).log.xz 000601343.td-b3lyp_6-31g+(d).inp 000601343.td-b3lyp_6-31g+(d).log.xz

000601343.td-b3lyp_6-31+g(d).qchem.inp (generated)

000601343.td-b3lyp_6-31+g(d).gjf (generated)

000601343.td-b3lyp_6-31+g(d).firefly.inp (generated)

000601343.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000601343.mol 000601343.PUBCHEM 000601343.mol (via Jmol)
000601350.b3lyp_6-31g(d).inp

000601350.b3lyp_6-31g(d).qchem.inp (generated)

000601350.b3lyp_6-31g(d).gjf (generated)

000601350.b3lyp_6-31g(d).firefly.inp (generated)

000601350.b3lyp_6-31g(d).smash.inp (generated)

000601350.b3lyp_6-31g(d).nwchem.inp (generated) 000601350.b3lyp_6-31g(d).log.xz 000601350.mol 000601350.PUBCHEM 000601350.mol (via Jmol)
000601352.b3lyp_6-31g(d).inp

000601352.b3lyp_6-31g(d).qchem.inp (generated)

000601352.b3lyp_6-31g(d).gjf (generated)

000601352.b3lyp_6-31g(d).firefly.inp (generated)

000601352.b3lyp_6-31g(d).smash.inp (generated)

000601352.b3lyp_6-31g(d).nwchem.inp (generated) 000601352.b3lyp_6-31g(d).log.xz 000601352.mol 000601352.PUBCHEM 000601352.mol (via Jmol)
000601355.b3lyp_6-31g(d).inp

000601355.b3lyp_6-31g(d).qchem.inp (generated)

000601355.b3lyp_6-31g(d).gjf (generated)

000601355.b3lyp_6-31g(d).firefly.inp (generated)

000601355.b3lyp_6-31g(d).smash.inp (generated)

000601355.b3lyp_6-31g(d).nwchem.inp (generated) 000601355.b3lyp_6-31g(d).log.xz 000601355.td-b3lyp_6-31g+(d).inp 000601355.td-b3lyp_6-31g+(d).log.xz

000601355.td-b3lyp_6-31+g(d).qchem.inp (generated)

000601355.td-b3lyp_6-31+g(d).gjf (generated)

000601355.td-b3lyp_6-31+g(d).firefly.inp (generated)

000601355.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000601355.mol 000601355.PUBCHEM 000601355.mol (via Jmol)
000601356.b3lyp_6-31g(d).inp

000601356.b3lyp_6-31g(d).qchem.inp (generated)

000601356.b3lyp_6-31g(d).gjf (generated)

000601356.b3lyp_6-31g(d).firefly.inp (generated)

000601356.b3lyp_6-31g(d).smash.inp (generated)

000601356.b3lyp_6-31g(d).nwchem.inp (generated) 000601356.b3lyp_6-31g(d).log.xz 000601356.td-b3lyp_6-31g+(d).inp 000601356.td-b3lyp_6-31g+(d).log.xz

000601356.td-b3lyp_6-31+g(d).qchem.inp (generated)

000601356.td-b3lyp_6-31+g(d).gjf (generated)

000601356.td-b3lyp_6-31+g(d).firefly.inp (generated)

000601356.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000601356.mol 000601356.PUBCHEM 000601356.mol (via Jmol)
000601357.b3lyp_6-31g(d).inp

000601357.b3lyp_6-31g(d).qchem.inp (generated)

000601357.b3lyp_6-31g(d).gjf (generated)

000601357.b3lyp_6-31g(d).firefly.inp (generated)

000601357.b3lyp_6-31g(d).smash.inp (generated)

000601357.b3lyp_6-31g(d).nwchem.inp (generated) 000601357.b3lyp_6-31g(d).log.xz 000601357.td-b3lyp_6-31g+(d).inp 000601357.td-b3lyp_6-31g+(d).log.xz

000601357.td-b3lyp_6-31+g(d).qchem.inp (generated)

000601357.td-b3lyp_6-31+g(d).gjf (generated)

000601357.td-b3lyp_6-31+g(d).firefly.inp (generated)

000601357.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000601357.mol 000601357.PUBCHEM 000601357.mol (via Jmol)
000601369.b3lyp_6-31g(d).inp

000601369.b3lyp_6-31g(d).qchem.inp (generated)

000601369.b3lyp_6-31g(d).gjf (generated)

000601369.b3lyp_6-31g(d).firefly.inp (generated)

000601369.b3lyp_6-31g(d).smash.inp (generated)

000601369.b3lyp_6-31g(d).nwchem.inp (generated) 000601369.b3lyp_6-31g(d).log.xz 000601369.td-b3lyp_6-31g+(d).inp 000601369.td-b3lyp_6-31g+(d).log.xz

000601369.td-b3lyp_6-31+g(d).qchem.inp (generated)

000601369.td-b3lyp_6-31+g(d).gjf (generated)

000601369.td-b3lyp_6-31+g(d).firefly.inp (generated)

000601369.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000601369.mol 000601369.PUBCHEM 000601369.mol (via Jmol)
000601380.b3lyp_6-31g(d).inp

000601380.b3lyp_6-31g(d).qchem.inp (generated)

000601380.b3lyp_6-31g(d).gjf (generated)

000601380.b3lyp_6-31g(d).firefly.inp (generated)

000601380.b3lyp_6-31g(d).smash.inp (generated)

000601380.b3lyp_6-31g(d).nwchem.inp (generated) 000601380.b3lyp_6-31g(d).log.xz 000601380.td-b3lyp_6-31g+(d).inp 000601380.td-b3lyp_6-31g+(d).log.xz

000601380.td-b3lyp_6-31+g(d).qchem.inp (generated)

000601380.td-b3lyp_6-31+g(d).gjf (generated)

000601380.td-b3lyp_6-31+g(d).firefly.inp (generated)

000601380.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000601380.mol 000601380.PUBCHEM 000601380.mol (via Jmol)
000601381.b3lyp_6-31g(d).inp

000601381.b3lyp_6-31g(d).qchem.inp (generated)

000601381.b3lyp_6-31g(d).gjf (generated)

000601381.b3lyp_6-31g(d).firefly.inp (generated)

000601381.b3lyp_6-31g(d).smash.inp (generated)

000601381.b3lyp_6-31g(d).nwchem.inp (generated) 000601381.b3lyp_6-31g(d).log.xz 000601381.td-b3lyp_6-31g+(d).inp 000601381.td-b3lyp_6-31g+(d).log.xz

000601381.td-b3lyp_6-31+g(d).qchem.inp (generated)

000601381.td-b3lyp_6-31+g(d).gjf (generated)

000601381.td-b3lyp_6-31+g(d).firefly.inp (generated)

000601381.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000601381.mol 000601381.PUBCHEM 000601381.mol (via Jmol)
000601383.b3lyp_6-31g(d).inp

000601383.b3lyp_6-31g(d).qchem.inp (generated)

000601383.b3lyp_6-31g(d).gjf (generated)

000601383.b3lyp_6-31g(d).firefly.inp (generated)

000601383.b3lyp_6-31g(d).smash.inp (generated)

000601383.b3lyp_6-31g(d).nwchem.inp (generated) 000601383.b3lyp_6-31g(d).log.xz 000601383.td-b3lyp_6-31g+(d).inp 000601383.td-b3lyp_6-31g+(d).log.xz

000601383.td-b3lyp_6-31+g(d).qchem.inp (generated)

000601383.td-b3lyp_6-31+g(d).gjf (generated)

000601383.td-b3lyp_6-31+g(d).firefly.inp (generated)

000601383.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000601383.mol 000601383.PUBCHEM 000601383.mol (via Jmol)
000601386.b3lyp_6-31g(d).inp

000601386.b3lyp_6-31g(d).qchem.inp (generated)

000601386.b3lyp_6-31g(d).gjf (generated)

000601386.b3lyp_6-31g(d).firefly.inp (generated)

000601386.b3lyp_6-31g(d).smash.inp (generated)

000601386.b3lyp_6-31g(d).nwchem.inp (generated) 000601386.b3lyp_6-31g(d).log.xz 000601386.td-b3lyp_6-31g+(d).inp 000601386.td-b3lyp_6-31g+(d).log.xz

000601386.td-b3lyp_6-31+g(d).qchem.inp (generated)

000601386.td-b3lyp_6-31+g(d).gjf (generated)

000601386.td-b3lyp_6-31+g(d).firefly.inp (generated)

000601386.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000601386.mol 000601386.PUBCHEM 000601386.mol (via Jmol)
000601398.b3lyp_6-31g(d).inp

000601398.b3lyp_6-31g(d).qchem.inp (generated)

000601398.b3lyp_6-31g(d).gjf (generated)

000601398.b3lyp_6-31g(d).firefly.inp (generated)

000601398.b3lyp_6-31g(d).smash.inp (generated)

000601398.b3lyp_6-31g(d).nwchem.inp (generated) 000601398.b3lyp_6-31g(d).log.xz 000601398.td-b3lyp_6-31g+(d).inp 000601398.td-b3lyp_6-31g+(d).log.xz

000601398.td-b3lyp_6-31+g(d).qchem.inp (generated)

000601398.td-b3lyp_6-31+g(d).gjf (generated)

000601398.td-b3lyp_6-31+g(d).firefly.inp (generated)

000601398.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000601398.mol 000601398.PUBCHEM 000601398.mol (via Jmol)
000601399.b3lyp_6-31g(d).inp

000601399.b3lyp_6-31g(d).qchem.inp (generated)

000601399.b3lyp_6-31g(d).gjf (generated)

000601399.b3lyp_6-31g(d).firefly.inp (generated)

000601399.b3lyp_6-31g(d).smash.inp (generated)

000601399.b3lyp_6-31g(d).nwchem.inp (generated) 000601399.b3lyp_6-31g(d).log.xz 000601399.td-b3lyp_6-31g+(d).inp 000601399.td-b3lyp_6-31g+(d).log.xz

000601399.td-b3lyp_6-31+g(d).qchem.inp (generated)

000601399.td-b3lyp_6-31+g(d).gjf (generated)

000601399.td-b3lyp_6-31+g(d).firefly.inp (generated)

000601399.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000601399.mol 000601399.PUBCHEM 000601399.mol (via Jmol)
000601400.b3lyp_6-31g(d).inp

000601400.b3lyp_6-31g(d).qchem.inp (generated)

000601400.b3lyp_6-31g(d).gjf (generated)

000601400.b3lyp_6-31g(d).firefly.inp (generated)

000601400.b3lyp_6-31g(d).smash.inp (generated)

000601400.b3lyp_6-31g(d).nwchem.inp (generated) 000601400.b3lyp_6-31g(d).log.xz 000601400.td-b3lyp_6-31g+(d).inp 000601400.td-b3lyp_6-31g+(d).log.xz

000601400.td-b3lyp_6-31+g(d).qchem.inp (generated)

000601400.td-b3lyp_6-31+g(d).gjf (generated)

000601400.td-b3lyp_6-31+g(d).firefly.inp (generated)

000601400.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000601400.mol 000601400.PUBCHEM 000601400.mol (via Jmol)
000601401.b3lyp_6-31g(d).inp

000601401.b3lyp_6-31g(d).qchem.inp (generated)

000601401.b3lyp_6-31g(d).gjf (generated)

000601401.b3lyp_6-31g(d).firefly.inp (generated)

000601401.b3lyp_6-31g(d).smash.inp (generated)

000601401.b3lyp_6-31g(d).nwchem.inp (generated) 000601401.b3lyp_6-31g(d).log.xz 000601401.td-b3lyp_6-31g+(d).inp 000601401.td-b3lyp_6-31g+(d).log.xz

000601401.td-b3lyp_6-31+g(d).qchem.inp (generated)

000601401.td-b3lyp_6-31+g(d).gjf (generated)

000601401.td-b3lyp_6-31+g(d).firefly.inp (generated)

000601401.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000601401.mol 000601401.PUBCHEM 000601401.mol (via Jmol)
000601406.b3lyp_6-31g(d).inp

000601406.b3lyp_6-31g(d).qchem.inp (generated)

000601406.b3lyp_6-31g(d).gjf (generated)

000601406.b3lyp_6-31g(d).firefly.inp (generated)

000601406.b3lyp_6-31g(d).smash.inp (generated)

000601406.b3lyp_6-31g(d).nwchem.inp (generated) 000601406.b3lyp_6-31g(d).log.xz 000601406.td-b3lyp_6-31g+(d).inp 000601406.td-b3lyp_6-31g+(d).log.xz

000601406.td-b3lyp_6-31+g(d).qchem.inp (generated)

000601406.td-b3lyp_6-31+g(d).gjf (generated)

000601406.td-b3lyp_6-31+g(d).firefly.inp (generated)

000601406.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000601406.mol 000601406.PUBCHEM 000601406.mol (via Jmol)
000601407.b3lyp_6-31g(d).inp

000601407.b3lyp_6-31g(d).qchem.inp (generated)

000601407.b3lyp_6-31g(d).gjf (generated)

000601407.b3lyp_6-31g(d).firefly.inp (generated)

000601407.b3lyp_6-31g(d).smash.inp (generated)

000601407.b3lyp_6-31g(d).nwchem.inp (generated) 000601407.b3lyp_6-31g(d).log.xz 000601407.td-b3lyp_6-31g+(d).inp 000601407.td-b3lyp_6-31g+(d).log.xz

000601407.td-b3lyp_6-31+g(d).qchem.inp (generated)

000601407.td-b3lyp_6-31+g(d).gjf (generated)

000601407.td-b3lyp_6-31+g(d).firefly.inp (generated)

000601407.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000601407.mol 000601407.PUBCHEM 000601407.mol (via Jmol)
000601408.b3lyp_6-31g(d).inp

000601408.b3lyp_6-31g(d).qchem.inp (generated)

000601408.b3lyp_6-31g(d).gjf (generated)

000601408.b3lyp_6-31g(d).firefly.inp (generated)

000601408.b3lyp_6-31g(d).smash.inp (generated)

000601408.b3lyp_6-31g(d).nwchem.inp (generated) 000601408.b3lyp_6-31g(d).log.xz 000601408.td-b3lyp_6-31g+(d).inp 000601408.td-b3lyp_6-31g+(d).log.xz

000601408.td-b3lyp_6-31+g(d).qchem.inp (generated)

000601408.td-b3lyp_6-31+g(d).gjf (generated)

000601408.td-b3lyp_6-31+g(d).firefly.inp (generated)

000601408.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000601408.mol 000601408.PUBCHEM 000601408.mol (via Jmol)
000601409.b3lyp_6-31g(d).inp

000601409.b3lyp_6-31g(d).qchem.inp (generated)

000601409.b3lyp_6-31g(d).gjf (generated)

000601409.b3lyp_6-31g(d).firefly.inp (generated)

000601409.b3lyp_6-31g(d).smash.inp (generated)

000601409.b3lyp_6-31g(d).nwchem.inp (generated) 000601409.b3lyp_6-31g(d).log.xz 000601409.td-b3lyp_6-31g+(d).inp 000601409.td-b3lyp_6-31g+(d).log.xz

000601409.td-b3lyp_6-31+g(d).qchem.inp (generated)

000601409.td-b3lyp_6-31+g(d).gjf (generated)

000601409.td-b3lyp_6-31+g(d).firefly.inp (generated)

000601409.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000601409.mol 000601409.PUBCHEM 000601409.mol (via Jmol)
000601415.b3lyp_6-31g(d).inp

000601415.b3lyp_6-31g(d).qchem.inp (generated)

000601415.b3lyp_6-31g(d).gjf (generated)

000601415.b3lyp_6-31g(d).firefly.inp (generated)

000601415.b3lyp_6-31g(d).smash.inp (generated)

000601415.b3lyp_6-31g(d).nwchem.inp (generated) 000601415.b3lyp_6-31g(d).log.xz 000601415.td-b3lyp_6-31g+(d).inp 000601415.td-b3lyp_6-31g+(d).log.xz

000601415.td-b3lyp_6-31+g(d).qchem.inp (generated)

000601415.td-b3lyp_6-31+g(d).gjf (generated)

000601415.td-b3lyp_6-31+g(d).firefly.inp (generated)

000601415.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000601415.mol 000601415.PUBCHEM 000601415.mol (via Jmol)
000601416.b3lyp_6-31g(d).inp

000601416.b3lyp_6-31g(d).qchem.inp (generated)

000601416.b3lyp_6-31g(d).gjf (generated)

000601416.b3lyp_6-31g(d).firefly.inp (generated)

000601416.b3lyp_6-31g(d).smash.inp (generated)

000601416.b3lyp_6-31g(d).nwchem.inp (generated) 000601416.b3lyp_6-31g(d).log.xz 000601416.td-b3lyp_6-31g+(d).inp 000601416.td-b3lyp_6-31g+(d).log.xz

000601416.td-b3lyp_6-31+g(d).qchem.inp (generated)

000601416.td-b3lyp_6-31+g(d).gjf (generated)

000601416.td-b3lyp_6-31+g(d).firefly.inp (generated)

000601416.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000601416.mol 000601416.PUBCHEM 000601416.mol (via Jmol)
000601417.b3lyp_6-31g(d).inp

000601417.b3lyp_6-31g(d).qchem.inp (generated)

000601417.b3lyp_6-31g(d).gjf (generated)

000601417.b3lyp_6-31g(d).firefly.inp (generated)

000601417.b3lyp_6-31g(d).smash.inp (generated)

000601417.b3lyp_6-31g(d).nwchem.inp (generated) 000601417.b3lyp_6-31g(d).log.xz 000601417.td-b3lyp_6-31g+(d).inp 000601417.td-b3lyp_6-31g+(d).log.xz

000601417.td-b3lyp_6-31+g(d).qchem.inp (generated)

000601417.td-b3lyp_6-31+g(d).gjf (generated)

000601417.td-b3lyp_6-31+g(d).firefly.inp (generated)

000601417.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000601417.mol 000601417.PUBCHEM 000601417.mol (via Jmol)
000601418.b3lyp_6-31g(d).inp

000601418.b3lyp_6-31g(d).qchem.inp (generated)

000601418.b3lyp_6-31g(d).gjf (generated)

000601418.b3lyp_6-31g(d).firefly.inp (generated)

000601418.b3lyp_6-31g(d).smash.inp (generated)

000601418.b3lyp_6-31g(d).nwchem.inp (generated) 000601418.b3lyp_6-31g(d).log.xz 000601418.td-b3lyp_6-31g+(d).inp 000601418.td-b3lyp_6-31g+(d).log.xz

000601418.td-b3lyp_6-31+g(d).qchem.inp (generated)

000601418.td-b3lyp_6-31+g(d).gjf (generated)

000601418.td-b3lyp_6-31+g(d).firefly.inp (generated)

000601418.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000601418.mol 000601418.PUBCHEM 000601418.mol (via Jmol)
000601424.b3lyp_6-31g(d).inp

000601424.b3lyp_6-31g(d).qchem.inp (generated)

000601424.b3lyp_6-31g(d).gjf (generated)

000601424.b3lyp_6-31g(d).firefly.inp (generated)

000601424.b3lyp_6-31g(d).smash.inp (generated)

000601424.b3lyp_6-31g(d).nwchem.inp (generated) 000601424.b3lyp_6-31g(d).log.xz 000601424.td-b3lyp_6-31g+(d).inp 000601424.td-b3lyp_6-31g+(d).log.xz

000601424.td-b3lyp_6-31+g(d).qchem.inp (generated)

000601424.td-b3lyp_6-31+g(d).gjf (generated)

000601424.td-b3lyp_6-31+g(d).firefly.inp (generated)

000601424.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000601424.mol 000601424.PUBCHEM 000601424.mol (via Jmol)
000601425.b3lyp_6-31g(d).inp

000601425.b3lyp_6-31g(d).qchem.inp (generated)

000601425.b3lyp_6-31g(d).gjf (generated)

000601425.b3lyp_6-31g(d).firefly.inp (generated)

000601425.b3lyp_6-31g(d).smash.inp (generated)

000601425.b3lyp_6-31g(d).nwchem.inp (generated) 000601425.b3lyp_6-31g(d).log.xz 000601425.td-b3lyp_6-31g+(d).inp 000601425.td-b3lyp_6-31g+(d).log.xz

000601425.td-b3lyp_6-31+g(d).qchem.inp (generated)

000601425.td-b3lyp_6-31+g(d).gjf (generated)

000601425.td-b3lyp_6-31+g(d).firefly.inp (generated)

000601425.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000601425.mol 000601425.PUBCHEM 000601425.mol (via Jmol)
000601427.b3lyp_6-31g(d).inp

000601427.b3lyp_6-31g(d).qchem.inp (generated)

000601427.b3lyp_6-31g(d).gjf (generated)

000601427.b3lyp_6-31g(d).firefly.inp (generated)

000601427.b3lyp_6-31g(d).smash.inp (generated)

000601427.b3lyp_6-31g(d).nwchem.inp (generated) 000601427.b3lyp_6-31g(d).log.xz 000601427.td-b3lyp_6-31g+(d).inp 000601427.td-b3lyp_6-31g+(d).log.xz

000601427.td-b3lyp_6-31+g(d).qchem.inp (generated)

000601427.td-b3lyp_6-31+g(d).gjf (generated)

000601427.td-b3lyp_6-31+g(d).firefly.inp (generated)

000601427.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000601427.mol 000601427.PUBCHEM 000601427.mol (via Jmol)
000601438.b3lyp_6-31g(d).inp

000601438.b3lyp_6-31g(d).qchem.inp (generated)

000601438.b3lyp_6-31g(d).gjf (generated)

000601438.b3lyp_6-31g(d).firefly.inp (generated)

000601438.b3lyp_6-31g(d).smash.inp (generated)

000601438.b3lyp_6-31g(d).nwchem.inp (generated) 000601438.b3lyp_6-31g(d).log.xz 000601438.mol 000601438.PUBCHEM 000601438.mol (via Jmol)
000601439.b3lyp_6-31g(d).inp

000601439.b3lyp_6-31g(d).qchem.inp (generated)

000601439.b3lyp_6-31g(d).gjf (generated)

000601439.b3lyp_6-31g(d).firefly.inp (generated)

000601439.b3lyp_6-31g(d).smash.inp (generated)

000601439.b3lyp_6-31g(d).nwchem.inp (generated) 000601439.b3lyp_6-31g(d).log.xz 000601439.mol 000601439.PUBCHEM 000601439.mol (via Jmol)
000601441.b3lyp_6-31g(d).inp

000601441.b3lyp_6-31g(d).qchem.inp (generated)

000601441.b3lyp_6-31g(d).gjf (generated)

000601441.b3lyp_6-31g(d).firefly.inp (generated)

000601441.b3lyp_6-31g(d).smash.inp (generated)

000601441.b3lyp_6-31g(d).nwchem.inp (generated) 000601441.b3lyp_6-31g(d).log.xz 000601441.mol 000601441.PUBCHEM 000601441.mol (via Jmol)
000601444.b3lyp_6-31g(d).inp

000601444.b3lyp_6-31g(d).qchem.inp (generated)

000601444.b3lyp_6-31g(d).gjf (generated)

000601444.b3lyp_6-31g(d).firefly.inp (generated)

000601444.b3lyp_6-31g(d).smash.inp (generated)

000601444.b3lyp_6-31g(d).nwchem.inp (generated) 000601444.b3lyp_6-31g(d).log.xz 000601444.td-b3lyp_6-31g+(d).inp 000601444.td-b3lyp_6-31g+(d).log.xz

000601444.td-b3lyp_6-31+g(d).qchem.inp (generated)

000601444.td-b3lyp_6-31+g(d).gjf (generated)

000601444.td-b3lyp_6-31+g(d).firefly.inp (generated)

000601444.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000601444.mol 000601444.PUBCHEM 000601444.mol (via Jmol)
000601473.b3lyp_6-31g(d).inp

000601473.b3lyp_6-31g(d).qchem.inp (generated)

000601473.b3lyp_6-31g(d).gjf (generated)

000601473.b3lyp_6-31g(d).firefly.inp (generated)

000601473.b3lyp_6-31g(d).smash.inp (generated)

000601473.b3lyp_6-31g(d).nwchem.inp (generated) 000601473.b3lyp_6-31g(d).log.xz 000601473.td-b3lyp_6-31g+(d).inp 000601473.td-b3lyp_6-31g+(d).log.xz

000601473.td-b3lyp_6-31+g(d).qchem.inp (generated)

000601473.td-b3lyp_6-31+g(d).gjf (generated)

000601473.td-b3lyp_6-31+g(d).firefly.inp (generated)

000601473.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000601473.mol 000601473.PUBCHEM 000601473.mol (via Jmol)
000601512.b3lyp_6-31g(d).inp

000601512.b3lyp_6-31g(d).qchem.inp (generated)

000601512.b3lyp_6-31g(d).gjf (generated)

000601512.b3lyp_6-31g(d).firefly.inp (generated)

000601512.b3lyp_6-31g(d).smash.inp (generated)

000601512.b3lyp_6-31g(d).nwchem.inp (generated) 000601512.b3lyp_6-31g(d).log.xz 000601512.td-b3lyp_6-31g+(d).inp 000601512.td-b3lyp_6-31g+(d).log.xz

000601512.td-b3lyp_6-31+g(d).qchem.inp (generated)

000601512.td-b3lyp_6-31+g(d).gjf (generated)

000601512.td-b3lyp_6-31+g(d).firefly.inp (generated)

000601512.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000601512.mol 000601512.PUBCHEM 000601512.mol (via Jmol)
000601514.b3lyp_6-31g(d).inp

000601514.b3lyp_6-31g(d).qchem.inp (generated)

000601514.b3lyp_6-31g(d).gjf (generated)

000601514.b3lyp_6-31g(d).firefly.inp (generated)

000601514.b3lyp_6-31g(d).smash.inp (generated)

000601514.b3lyp_6-31g(d).nwchem.inp (generated) 000601514.b3lyp_6-31g(d).log.xz 000601514.td-b3lyp_6-31g+(d).inp 000601514.td-b3lyp_6-31g+(d).log.xz

000601514.td-b3lyp_6-31+g(d).qchem.inp (generated)

000601514.td-b3lyp_6-31+g(d).gjf (generated)

000601514.td-b3lyp_6-31+g(d).firefly.inp (generated)

000601514.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000601514.mol 000601514.PUBCHEM 000601514.mol (via Jmol)
000601515.b3lyp_6-31g(d).inp

000601515.b3lyp_6-31g(d).qchem.inp (generated)

000601515.b3lyp_6-31g(d).gjf (generated)

000601515.b3lyp_6-31g(d).firefly.inp (generated)

000601515.b3lyp_6-31g(d).smash.inp (generated)

000601515.b3lyp_6-31g(d).nwchem.inp (generated) 000601515.b3lyp_6-31g(d).log.xz 000601515.td-b3lyp_6-31g+(d).inp 000601515.td-b3lyp_6-31g+(d).log.xz

000601515.td-b3lyp_6-31+g(d).qchem.inp (generated)

000601515.td-b3lyp_6-31+g(d).gjf (generated)

000601515.td-b3lyp_6-31+g(d).firefly.inp (generated)

000601515.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000601515.mol 000601515.PUBCHEM 000601515.mol (via Jmol)
000601516.b3lyp_6-31g(d).inp

000601516.b3lyp_6-31g(d).qchem.inp (generated)

000601516.b3lyp_6-31g(d).gjf (generated)

000601516.b3lyp_6-31g(d).firefly.inp (generated)

000601516.b3lyp_6-31g(d).smash.inp (generated)

000601516.b3lyp_6-31g(d).nwchem.inp (generated) 000601516.b3lyp_6-31g(d).log.xz 000601516.td-b3lyp_6-31g+(d).inp 000601516.td-b3lyp_6-31g+(d).log.xz

000601516.td-b3lyp_6-31+g(d).qchem.inp (generated)

000601516.td-b3lyp_6-31+g(d).gjf (generated)

000601516.td-b3lyp_6-31+g(d).firefly.inp (generated)

000601516.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000601516.mol 000601516.PUBCHEM 000601516.mol (via Jmol)
000601517.b3lyp_6-31g(d).inp

000601517.b3lyp_6-31g(d).qchem.inp (generated)

000601517.b3lyp_6-31g(d).gjf (generated)

000601517.b3lyp_6-31g(d).firefly.inp (generated)

000601517.b3lyp_6-31g(d).smash.inp (generated)

000601517.b3lyp_6-31g(d).nwchem.inp (generated) 000601517.b3lyp_6-31g(d).log.xz 000601517.td-b3lyp_6-31g+(d).inp 000601517.td-b3lyp_6-31g+(d).log.xz

000601517.td-b3lyp_6-31+g(d).qchem.inp (generated)

000601517.td-b3lyp_6-31+g(d).gjf (generated)

000601517.td-b3lyp_6-31+g(d).firefly.inp (generated)

000601517.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000601517.mol 000601517.PUBCHEM 000601517.mol (via Jmol)
000601519.b3lyp_6-31g(d).inp

000601519.b3lyp_6-31g(d).qchem.inp (generated)

000601519.b3lyp_6-31g(d).gjf (generated)

000601519.b3lyp_6-31g(d).firefly.inp (generated)

000601519.b3lyp_6-31g(d).smash.inp (generated)

000601519.b3lyp_6-31g(d).nwchem.inp (generated) 000601519.b3lyp_6-31g(d).log.xz 000601519.td-b3lyp_6-31g+(d).inp 000601519.td-b3lyp_6-31g+(d).log.xz

000601519.td-b3lyp_6-31+g(d).qchem.inp (generated)

000601519.td-b3lyp_6-31+g(d).gjf (generated)

000601519.td-b3lyp_6-31+g(d).firefly.inp (generated)

000601519.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000601519.mol 000601519.PUBCHEM 000601519.mol (via Jmol)
000601521.b3lyp_6-31g(d).inp

000601521.b3lyp_6-31g(d).qchem.inp (generated)

000601521.b3lyp_6-31g(d).gjf (generated)

000601521.b3lyp_6-31g(d).firefly.inp (generated)

000601521.b3lyp_6-31g(d).smash.inp (generated)

000601521.b3lyp_6-31g(d).nwchem.inp (generated) 000601521.b3lyp_6-31g(d).log.xz 000601521.mol 000601521.PUBCHEM 000601521.mol (via Jmol)
000601524.b3lyp_6-31g(d).inp

000601524.b3lyp_6-31g(d).qchem.inp (generated)

000601524.b3lyp_6-31g(d).gjf (generated)

000601524.b3lyp_6-31g(d).firefly.inp (generated)

000601524.b3lyp_6-31g(d).smash.inp (generated)

000601524.b3lyp_6-31g(d).nwchem.inp (generated) 000601524.b3lyp_6-31g(d).log.xz 000601524.td-b3lyp_6-31g+(d).inp 000601524.td-b3lyp_6-31g+(d).log.xz

000601524.td-b3lyp_6-31+g(d).qchem.inp (generated)

000601524.td-b3lyp_6-31+g(d).gjf (generated)

000601524.td-b3lyp_6-31+g(d).firefly.inp (generated)

000601524.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000601524.mol 000601524.PUBCHEM 000601524.mol (via Jmol)
000601525.b3lyp_6-31g(d).inp

000601525.b3lyp_6-31g(d).qchem.inp (generated)

000601525.b3lyp_6-31g(d).gjf (generated)

000601525.b3lyp_6-31g(d).firefly.inp (generated)

000601525.b3lyp_6-31g(d).smash.inp (generated)

000601525.b3lyp_6-31g(d).nwchem.inp (generated) 000601525.b3lyp_6-31g(d).log.xz 000601525.td-b3lyp_6-31g+(d).inp 000601525.td-b3lyp_6-31g+(d).log.xz

000601525.td-b3lyp_6-31+g(d).qchem.inp (generated)

000601525.td-b3lyp_6-31+g(d).gjf (generated)

000601525.td-b3lyp_6-31+g(d).firefly.inp (generated)

000601525.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000601525.mol 000601525.PUBCHEM 000601525.mol (via Jmol)
000601526.b3lyp_6-31g(d).inp

000601526.b3lyp_6-31g(d).qchem.inp (generated)

000601526.b3lyp_6-31g(d).gjf (generated)

000601526.b3lyp_6-31g(d).firefly.inp (generated)

000601526.b3lyp_6-31g(d).smash.inp (generated)

000601526.b3lyp_6-31g(d).nwchem.inp (generated) 000601526.b3lyp_6-31g(d).log.xz 000601526.td-b3lyp_6-31g+(d).inp 000601526.td-b3lyp_6-31g+(d).log.xz

000601526.td-b3lyp_6-31+g(d).qchem.inp (generated)

000601526.td-b3lyp_6-31+g(d).gjf (generated)

000601526.td-b3lyp_6-31+g(d).firefly.inp (generated)

000601526.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000601526.mol 000601526.PUBCHEM 000601526.mol (via Jmol)