Index of

Last updated : Thu Apr 20 01:52:35 JST 2017
Total : 543 (455) in this page
005025069.b3lyp_6-31g(d).inp

005025069.b3lyp_6-31g(d).qchem.inp (generated)

005025069.b3lyp_6-31g(d).gjf (generated)

005025069.b3lyp_6-31g(d).firefly.inp (generated)

005025069.b3lyp_6-31g(d).smash.inp (generated)

005025069.b3lyp_6-31g(d).nwchem.inp (generated) 005025069.b3lyp_6-31g(d).log.xz 005025069.td-b3lyp_6-31g+(d).inp 005025069.td-b3lyp_6-31g+(d).log.xz

005025069.td-b3lyp_6-31+g(d).qchem.inp (generated)

005025069.td-b3lyp_6-31+g(d).gjf (generated)

005025069.td-b3lyp_6-31+g(d).firefly.inp (generated)

005025069.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005025069.mol 005025069.PUBCHEM 005025069.mol (via Jmol)
005025077.b3lyp_6-31g(d).inp

005025077.b3lyp_6-31g(d).qchem.inp (generated)

005025077.b3lyp_6-31g(d).gjf (generated)

005025077.b3lyp_6-31g(d).firefly.inp (generated)

005025077.b3lyp_6-31g(d).smash.inp (generated)

005025077.b3lyp_6-31g(d).nwchem.inp (generated) 005025077.b3lyp_6-31g(d).log.xz 005025077.td-b3lyp_6-31g+(d).inp 005025077.td-b3lyp_6-31g+(d).log.xz

005025077.td-b3lyp_6-31+g(d).qchem.inp (generated)

005025077.td-b3lyp_6-31+g(d).gjf (generated)

005025077.td-b3lyp_6-31+g(d).firefly.inp (generated)

005025077.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005025077.mol 005025077.PUBCHEM 005025077.mol (via Jmol)
005025177.b3lyp_6-31g(d).inp

005025177.b3lyp_6-31g(d).qchem.inp (generated)

005025177.b3lyp_6-31g(d).gjf (generated)

005025177.b3lyp_6-31g(d).firefly.inp (generated)

005025177.b3lyp_6-31g(d).smash.inp (generated)

005025177.b3lyp_6-31g(d).nwchem.inp (generated) 005025177.b3lyp_6-31g(d).log.xz 005025177.td-b3lyp_6-31g+(d).inp 005025177.td-b3lyp_6-31g+(d).log.xz

005025177.td-b3lyp_6-31+g(d).qchem.inp (generated)

005025177.td-b3lyp_6-31+g(d).gjf (generated)

005025177.td-b3lyp_6-31+g(d).firefly.inp (generated)

005025177.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005025177.mol 005025177.PUBCHEM 005025177.mol (via Jmol)
005025211.b3lyp_6-31g(d).inp

005025211.b3lyp_6-31g(d).qchem.inp (generated)

005025211.b3lyp_6-31g(d).gjf (generated)

005025211.b3lyp_6-31g(d).firefly.inp (generated)

005025211.b3lyp_6-31g(d).smash.inp (generated)

005025211.b3lyp_6-31g(d).nwchem.inp (generated) 005025211.b3lyp_6-31g(d).log.xz 005025211.td-b3lyp_6-31g+(d).inp 005025211.td-b3lyp_6-31g+(d).log.xz

005025211.td-b3lyp_6-31+g(d).qchem.inp (generated)

005025211.td-b3lyp_6-31+g(d).gjf (generated)

005025211.td-b3lyp_6-31+g(d).firefly.inp (generated)

005025211.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005025211.mol 005025211.PUBCHEM 005025211.mol (via Jmol)
005025236.b3lyp_6-31g(d).inp

005025236.b3lyp_6-31g(d).qchem.inp (generated)

005025236.b3lyp_6-31g(d).gjf (generated)

005025236.b3lyp_6-31g(d).firefly.inp (generated)

005025236.b3lyp_6-31g(d).smash.inp (generated)

005025236.b3lyp_6-31g(d).nwchem.inp (generated) 005025236.b3lyp_6-31g(d).log.xz 005025236.td-b3lyp_6-31g+(d).inp 005025236.td-b3lyp_6-31g+(d).log.xz

005025236.td-b3lyp_6-31+g(d).qchem.inp (generated)

005025236.td-b3lyp_6-31+g(d).gjf (generated)

005025236.td-b3lyp_6-31+g(d).firefly.inp (generated)

005025236.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005025236.mol 005025236.PUBCHEM 005025236.mol (via Jmol)
005025304.b3lyp_6-31g(d).inp

005025304.b3lyp_6-31g(d).qchem.inp (generated)

005025304.b3lyp_6-31g(d).gjf (generated)

005025304.b3lyp_6-31g(d).firefly.inp (generated)

005025304.b3lyp_6-31g(d).smash.inp (generated)

005025304.b3lyp_6-31g(d).nwchem.inp (generated) 005025304.b3lyp_6-31g(d).log.xz 005025304.td-b3lyp_6-31g+(d).inp 005025304.td-b3lyp_6-31g+(d).log.xz

005025304.td-b3lyp_6-31+g(d).qchem.inp (generated)

005025304.td-b3lyp_6-31+g(d).gjf (generated)

005025304.td-b3lyp_6-31+g(d).firefly.inp (generated)

005025304.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005025304.mol 005025304.PUBCHEM 005025304.mol (via Jmol)
005025316.b3lyp_6-31g(d).inp

005025316.b3lyp_6-31g(d).qchem.inp (generated)

005025316.b3lyp_6-31g(d).gjf (generated)

005025316.b3lyp_6-31g(d).firefly.inp (generated)

005025316.b3lyp_6-31g(d).smash.inp (generated)

005025316.b3lyp_6-31g(d).nwchem.inp (generated) 005025316.b3lyp_6-31g(d).log.xz 005025316.td-b3lyp_6-31g+(d).inp 005025316.td-b3lyp_6-31g+(d).log.xz

005025316.td-b3lyp_6-31+g(d).qchem.inp (generated)

005025316.td-b3lyp_6-31+g(d).gjf (generated)

005025316.td-b3lyp_6-31+g(d).firefly.inp (generated)

005025316.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005025316.mol 005025316.PUBCHEM 005025316.mol (via Jmol)
005025381.b3lyp_6-31g(d).inp

005025381.b3lyp_6-31g(d).qchem.inp (generated)

005025381.b3lyp_6-31g(d).gjf (generated)

005025381.b3lyp_6-31g(d).firefly.inp (generated)

005025381.b3lyp_6-31g(d).smash.inp (generated)

005025381.b3lyp_6-31g(d).nwchem.inp (generated) 005025381.b3lyp_6-31g(d).log.xz 005025381.mol 005025381.PUBCHEM 005025381.mol (via Jmol)
005025911.b3lyp_6-31g(d).inp

005025911.b3lyp_6-31g(d).qchem.inp (generated)

005025911.b3lyp_6-31g(d).gjf (generated)

005025911.b3lyp_6-31g(d).firefly.inp (generated)

005025911.b3lyp_6-31g(d).smash.inp (generated)

005025911.b3lyp_6-31g(d).nwchem.inp (generated) 005025911.b3lyp_6-31g(d).log.xz 005025911.mol 005025911.PUBCHEM 005025911.mol (via Jmol)
005025989.b3lyp_6-31g(d).inp

005025989.b3lyp_6-31g(d).qchem.inp (generated)

005025989.b3lyp_6-31g(d).gjf (generated)

005025989.b3lyp_6-31g(d).firefly.inp (generated)

005025989.b3lyp_6-31g(d).smash.inp (generated)

005025989.b3lyp_6-31g(d).nwchem.inp (generated) 005025989.b3lyp_6-31g(d).log.xz 005025989.mol 005025989.PUBCHEM 005025989.mol (via Jmol)
005025990.b3lyp_6-31g(d).inp

005025990.b3lyp_6-31g(d).qchem.inp (generated)

005025990.b3lyp_6-31g(d).gjf (generated)

005025990.b3lyp_6-31g(d).firefly.inp (generated)

005025990.b3lyp_6-31g(d).smash.inp (generated)

005025990.b3lyp_6-31g(d).nwchem.inp (generated) 005025990.b3lyp_6-31g(d).log.xz 005025990.td-b3lyp_6-31g+(d).inp 005025990.td-b3lyp_6-31g+(d).log.xz

005025990.td-b3lyp_6-31+g(d).qchem.inp (generated)

005025990.td-b3lyp_6-31+g(d).gjf (generated)

005025990.td-b3lyp_6-31+g(d).firefly.inp (generated)

005025990.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005025990.mol 005025990.PUBCHEM 005025990.mol (via Jmol)
005026014.b3lyp_6-31g(d).inp

005026014.b3lyp_6-31g(d).qchem.inp (generated)

005026014.b3lyp_6-31g(d).gjf (generated)

005026014.b3lyp_6-31g(d).firefly.inp (generated)

005026014.b3lyp_6-31g(d).smash.inp (generated)

005026014.b3lyp_6-31g(d).nwchem.inp (generated) 005026014.b3lyp_6-31g(d).log.xz 005026014.td-b3lyp_6-31g+(d).inp 005026014.td-b3lyp_6-31g+(d).log.xz

005026014.td-b3lyp_6-31+g(d).qchem.inp (generated)

005026014.td-b3lyp_6-31+g(d).gjf (generated)

005026014.td-b3lyp_6-31+g(d).firefly.inp (generated)

005026014.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005026014.mol 005026014.PUBCHEM 005026014.mol (via Jmol)
005026037.b3lyp_6-31g(d).inp

005026037.b3lyp_6-31g(d).qchem.inp (generated)

005026037.b3lyp_6-31g(d).gjf (generated)

005026037.b3lyp_6-31g(d).firefly.inp (generated)

005026037.b3lyp_6-31g(d).smash.inp (generated)

005026037.b3lyp_6-31g(d).nwchem.inp (generated) 005026037.b3lyp_6-31g(d).log.xz 005026037.td-b3lyp_6-31g+(d).inp 005026037.td-b3lyp_6-31g+(d).log.xz

005026037.td-b3lyp_6-31+g(d).qchem.inp (generated)

005026037.td-b3lyp_6-31+g(d).gjf (generated)

005026037.td-b3lyp_6-31+g(d).firefly.inp (generated)

005026037.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005026037.mol 005026037.PUBCHEM 005026037.mol (via Jmol)
005026092.b3lyp_6-31g(d).inp

005026092.b3lyp_6-31g(d).qchem.inp (generated)

005026092.b3lyp_6-31g(d).gjf (generated)

005026092.b3lyp_6-31g(d).firefly.inp (generated)

005026092.b3lyp_6-31g(d).smash.inp (generated)

005026092.b3lyp_6-31g(d).nwchem.inp (generated) 005026092.b3lyp_6-31g(d).log.xz 005026092.td-b3lyp_6-31g+(d).inp 005026092.td-b3lyp_6-31g+(d).log.xz

005026092.td-b3lyp_6-31+g(d).qchem.inp (generated)

005026092.td-b3lyp_6-31+g(d).gjf (generated)

005026092.td-b3lyp_6-31+g(d).firefly.inp (generated)

005026092.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005026092.mol 005026092.PUBCHEM 005026092.mol (via Jmol)
005026107.b3lyp_6-31g(d).inp

005026107.b3lyp_6-31g(d).qchem.inp (generated)

005026107.b3lyp_6-31g(d).gjf (generated)

005026107.b3lyp_6-31g(d).firefly.inp (generated)

005026107.b3lyp_6-31g(d).smash.inp (generated)

005026107.b3lyp_6-31g(d).nwchem.inp (generated) 005026107.b3lyp_6-31g(d).log.xz 005026107.td-b3lyp_6-31g+(d).inp 005026107.td-b3lyp_6-31g+(d).log.xz

005026107.td-b3lyp_6-31+g(d).qchem.inp (generated)

005026107.td-b3lyp_6-31+g(d).gjf (generated)

005026107.td-b3lyp_6-31+g(d).firefly.inp (generated)

005026107.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005026107.mol 005026107.PUBCHEM 005026107.mol (via Jmol)
005026131.b3lyp_6-31g(d).inp

005026131.b3lyp_6-31g(d).qchem.inp (generated)

005026131.b3lyp_6-31g(d).gjf (generated)

005026131.b3lyp_6-31g(d).firefly.inp (generated)

005026131.b3lyp_6-31g(d).smash.inp (generated)

005026131.b3lyp_6-31g(d).nwchem.inp (generated) 005026131.b3lyp_6-31g(d).log.xz 005026131.td-b3lyp_6-31g+(d).inp 005026131.td-b3lyp_6-31g+(d).log.xz

005026131.td-b3lyp_6-31+g(d).qchem.inp (generated)

005026131.td-b3lyp_6-31+g(d).gjf (generated)

005026131.td-b3lyp_6-31+g(d).firefly.inp (generated)

005026131.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005026131.mol 005026131.PUBCHEM 005026131.mol (via Jmol)
005026242.b3lyp_6-31g(d).inp

005026242.b3lyp_6-31g(d).qchem.inp (generated)

005026242.b3lyp_6-31g(d).gjf (generated)

005026242.b3lyp_6-31g(d).firefly.inp (generated)

005026242.b3lyp_6-31g(d).smash.inp (generated)

005026242.b3lyp_6-31g(d).nwchem.inp (generated) 005026242.b3lyp_6-31g(d).log.xz 005026242.td-b3lyp_6-31g+(d).inp 005026242.td-b3lyp_6-31g+(d).log.xz

005026242.td-b3lyp_6-31+g(d).qchem.inp (generated)

005026242.td-b3lyp_6-31+g(d).gjf (generated)

005026242.td-b3lyp_6-31+g(d).firefly.inp (generated)

005026242.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005026242.mol 005026242.PUBCHEM 005026242.mol (via Jmol)
005026298.b3lyp_6-31g(d).inp

005026298.b3lyp_6-31g(d).qchem.inp (generated)

005026298.b3lyp_6-31g(d).gjf (generated)

005026298.b3lyp_6-31g(d).firefly.inp (generated)

005026298.b3lyp_6-31g(d).smash.inp (generated)

005026298.b3lyp_6-31g(d).nwchem.inp (generated) 005026298.b3lyp_6-31g(d).log.xz 005026298.td-b3lyp_6-31g+(d).inp 005026298.td-b3lyp_6-31g+(d).log.xz

005026298.td-b3lyp_6-31+g(d).qchem.inp (generated)

005026298.td-b3lyp_6-31+g(d).gjf (generated)

005026298.td-b3lyp_6-31+g(d).firefly.inp (generated)

005026298.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005026298.mol 005026298.PUBCHEM 005026298.mol (via Jmol)
005026347.b3lyp_6-31g(d).inp

005026347.b3lyp_6-31g(d).qchem.inp (generated)

005026347.b3lyp_6-31g(d).gjf (generated)

005026347.b3lyp_6-31g(d).firefly.inp (generated)

005026347.b3lyp_6-31g(d).smash.inp (generated)

005026347.b3lyp_6-31g(d).nwchem.inp (generated) 005026347.b3lyp_6-31g(d).log.xz 005026347.td-b3lyp_6-31g+(d).inp 005026347.td-b3lyp_6-31g+(d).log.xz

005026347.td-b3lyp_6-31+g(d).qchem.inp (generated)

005026347.td-b3lyp_6-31+g(d).gjf (generated)

005026347.td-b3lyp_6-31+g(d).firefly.inp (generated)

005026347.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005026347.mol 005026347.PUBCHEM 005026347.mol (via Jmol)
005026354.b3lyp_6-31g(d).inp

005026354.b3lyp_6-31g(d).qchem.inp (generated)

005026354.b3lyp_6-31g(d).gjf (generated)

005026354.b3lyp_6-31g(d).firefly.inp (generated)

005026354.b3lyp_6-31g(d).smash.inp (generated)

005026354.b3lyp_6-31g(d).nwchem.inp (generated) 005026354.b3lyp_6-31g(d).log.xz 005026354.td-b3lyp_6-31g+(d).inp 005026354.td-b3lyp_6-31g+(d).log.xz

005026354.td-b3lyp_6-31+g(d).qchem.inp (generated)

005026354.td-b3lyp_6-31+g(d).gjf (generated)

005026354.td-b3lyp_6-31+g(d).firefly.inp (generated)

005026354.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005026354.mol 005026354.PUBCHEM 005026354.mol (via Jmol)
005026356.b3lyp_6-31g(d).inp

005026356.b3lyp_6-31g(d).qchem.inp (generated)

005026356.b3lyp_6-31g(d).gjf (generated)

005026356.b3lyp_6-31g(d).firefly.inp (generated)

005026356.b3lyp_6-31g(d).smash.inp (generated)

005026356.b3lyp_6-31g(d).nwchem.inp (generated) 005026356.b3lyp_6-31g(d).log.xz 005026356.td-b3lyp_6-31g+(d).inp 005026356.td-b3lyp_6-31g+(d).log.xz

005026356.td-b3lyp_6-31+g(d).qchem.inp (generated)

005026356.td-b3lyp_6-31+g(d).gjf (generated)

005026356.td-b3lyp_6-31+g(d).firefly.inp (generated)

005026356.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005026356.mol 005026356.PUBCHEM 005026356.mol (via Jmol)
005026520.b3lyp_6-31g(d).inp

005026520.b3lyp_6-31g(d).qchem.inp (generated)

005026520.b3lyp_6-31g(d).gjf (generated)

005026520.b3lyp_6-31g(d).firefly.inp (generated)

005026520.b3lyp_6-31g(d).smash.inp (generated)

005026520.b3lyp_6-31g(d).nwchem.inp (generated) 005026520.b3lyp_6-31g(d).log.xz 005026520.td-b3lyp_6-31g+(d).inp 005026520.td-b3lyp_6-31g+(d).log.xz

005026520.td-b3lyp_6-31+g(d).qchem.inp (generated)

005026520.td-b3lyp_6-31+g(d).gjf (generated)

005026520.td-b3lyp_6-31+g(d).firefly.inp (generated)

005026520.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005026520.mol 005026520.PUBCHEM 005026520.mol (via Jmol)
005026667.b3lyp_6-31g(d).inp

005026667.b3lyp_6-31g(d).qchem.inp (generated)

005026667.b3lyp_6-31g(d).gjf (generated)

005026667.b3lyp_6-31g(d).firefly.inp (generated)

005026667.b3lyp_6-31g(d).smash.inp (generated)

005026667.b3lyp_6-31g(d).nwchem.inp (generated) 005026667.b3lyp_6-31g(d).log.xz 005026667.td-b3lyp_6-31g+(d).inp 005026667.td-b3lyp_6-31g+(d).log.xz

005026667.td-b3lyp_6-31+g(d).qchem.inp (generated)

005026667.td-b3lyp_6-31+g(d).gjf (generated)

005026667.td-b3lyp_6-31+g(d).firefly.inp (generated)

005026667.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005026667.mol 005026667.PUBCHEM 005026667.mol (via Jmol)
005026742.b3lyp_6-31g(d).inp

005026742.b3lyp_6-31g(d).qchem.inp (generated)

005026742.b3lyp_6-31g(d).gjf (generated)

005026742.b3lyp_6-31g(d).firefly.inp (generated)

005026742.b3lyp_6-31g(d).smash.inp (generated)

005026742.b3lyp_6-31g(d).nwchem.inp (generated) 005026742.b3lyp_6-31g(d).log.xz 005026742.td-b3lyp_6-31g+(d).inp 005026742.td-b3lyp_6-31g+(d).log.xz

005026742.td-b3lyp_6-31+g(d).qchem.inp (generated)

005026742.td-b3lyp_6-31+g(d).gjf (generated)

005026742.td-b3lyp_6-31+g(d).firefly.inp (generated)

005026742.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005026742.mol 005026742.PUBCHEM 005026742.mol (via Jmol)
005026746.b3lyp_6-31g(d).inp

005026746.b3lyp_6-31g(d).qchem.inp (generated)

005026746.b3lyp_6-31g(d).gjf (generated)

005026746.b3lyp_6-31g(d).firefly.inp (generated)

005026746.b3lyp_6-31g(d).smash.inp (generated)

005026746.b3lyp_6-31g(d).nwchem.inp (generated) 005026746.b3lyp_6-31g(d).log.xz 005026746.mol 005026746.PUBCHEM 005026746.mol (via Jmol)
005026747.b3lyp_6-31g(d).inp

005026747.b3lyp_6-31g(d).qchem.inp (generated)

005026747.b3lyp_6-31g(d).gjf (generated)

005026747.b3lyp_6-31g(d).firefly.inp (generated)

005026747.b3lyp_6-31g(d).smash.inp (generated)

005026747.b3lyp_6-31g(d).nwchem.inp (generated) 005026747.b3lyp_6-31g(d).log.xz 005026747.td-b3lyp_6-31g+(d).inp 005026747.td-b3lyp_6-31g+(d).log.xz

005026747.td-b3lyp_6-31+g(d).qchem.inp (generated)

005026747.td-b3lyp_6-31+g(d).gjf (generated)

005026747.td-b3lyp_6-31+g(d).firefly.inp (generated)

005026747.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005026747.mol 005026747.PUBCHEM 005026747.mol (via Jmol)
005026985.b3lyp_6-31g(d).inp

005026985.b3lyp_6-31g(d).qchem.inp (generated)

005026985.b3lyp_6-31g(d).gjf (generated)

005026985.b3lyp_6-31g(d).firefly.inp (generated)

005026985.b3lyp_6-31g(d).smash.inp (generated)

005026985.b3lyp_6-31g(d).nwchem.inp (generated) 005026985.b3lyp_6-31g(d).log.xz 005026985.td-b3lyp_6-31g+(d).inp 005026985.td-b3lyp_6-31g+(d).log.xz

005026985.td-b3lyp_6-31+g(d).qchem.inp (generated)

005026985.td-b3lyp_6-31+g(d).gjf (generated)

005026985.td-b3lyp_6-31+g(d).firefly.inp (generated)

005026985.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005026985.mol 005026985.PUBCHEM 005026985.mol (via Jmol)
005027003.b3lyp_6-31g(d).inp

005027003.b3lyp_6-31g(d).qchem.inp (generated)

005027003.b3lyp_6-31g(d).gjf (generated)

005027003.b3lyp_6-31g(d).firefly.inp (generated)

005027003.b3lyp_6-31g(d).smash.inp (generated)

005027003.b3lyp_6-31g(d).nwchem.inp (generated) 005027003.b3lyp_6-31g(d).log.xz 005027003.td-b3lyp_6-31g+(d).inp 005027003.td-b3lyp_6-31g+(d).log.xz

005027003.td-b3lyp_6-31+g(d).qchem.inp (generated)

005027003.td-b3lyp_6-31+g(d).gjf (generated)

005027003.td-b3lyp_6-31+g(d).firefly.inp (generated)

005027003.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005027003.mol 005027003.PUBCHEM 005027003.mol (via Jmol)
005027017.b3lyp_6-31g(d).inp

005027017.b3lyp_6-31g(d).qchem.inp (generated)

005027017.b3lyp_6-31g(d).gjf (generated)

005027017.b3lyp_6-31g(d).firefly.inp (generated)

005027017.b3lyp_6-31g(d).smash.inp (generated)

005027017.b3lyp_6-31g(d).nwchem.inp (generated) 005027017.b3lyp_6-31g(d).log.xz 005027017.td-b3lyp_6-31g+(d).inp 005027017.td-b3lyp_6-31g+(d).log.xz

005027017.td-b3lyp_6-31+g(d).qchem.inp (generated)

005027017.td-b3lyp_6-31+g(d).gjf (generated)

005027017.td-b3lyp_6-31+g(d).firefly.inp (generated)

005027017.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005027017.mol 005027017.PUBCHEM 005027017.mol (via Jmol)
005027106.b3lyp_6-31g(d).inp

005027106.b3lyp_6-31g(d).qchem.inp (generated)

005027106.b3lyp_6-31g(d).gjf (generated)

005027106.b3lyp_6-31g(d).firefly.inp (generated)

005027106.b3lyp_6-31g(d).smash.inp (generated)

005027106.b3lyp_6-31g(d).nwchem.inp (generated) 005027106.b3lyp_6-31g(d).log.xz 005027106.td-b3lyp_6-31g+(d).inp 005027106.td-b3lyp_6-31g+(d).log.xz

005027106.td-b3lyp_6-31+g(d).qchem.inp (generated)

005027106.td-b3lyp_6-31+g(d).gjf (generated)

005027106.td-b3lyp_6-31+g(d).firefly.inp (generated)

005027106.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005027106.mol 005027106.PUBCHEM 005027106.mol (via Jmol)
005027185.b3lyp_6-31g(d).inp

005027185.b3lyp_6-31g(d).qchem.inp (generated)

005027185.b3lyp_6-31g(d).gjf (generated)

005027185.b3lyp_6-31g(d).firefly.inp (generated)

005027185.b3lyp_6-31g(d).smash.inp (generated)

005027185.b3lyp_6-31g(d).nwchem.inp (generated) 005027185.b3lyp_6-31g(d).log.xz 005027185.td-b3lyp_6-31g+(d).inp 005027185.td-b3lyp_6-31g+(d).log.xz

005027185.td-b3lyp_6-31+g(d).qchem.inp (generated)

005027185.td-b3lyp_6-31+g(d).gjf (generated)

005027185.td-b3lyp_6-31+g(d).firefly.inp (generated)

005027185.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005027185.mol 005027185.PUBCHEM 005027185.mol (via Jmol)
005027246.b3lyp_6-31g(d).inp

005027246.b3lyp_6-31g(d).qchem.inp (generated)

005027246.b3lyp_6-31g(d).gjf (generated)

005027246.b3lyp_6-31g(d).firefly.inp (generated)

005027246.b3lyp_6-31g(d).smash.inp (generated)

005027246.b3lyp_6-31g(d).nwchem.inp (generated) 005027246.b3lyp_6-31g(d).log.xz 005027246.td-b3lyp_6-31g+(d).inp 005027246.td-b3lyp_6-31g+(d).log.xz

005027246.td-b3lyp_6-31+g(d).qchem.inp (generated)

005027246.td-b3lyp_6-31+g(d).gjf (generated)

005027246.td-b3lyp_6-31+g(d).firefly.inp (generated)

005027246.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005027246.mol 005027246.PUBCHEM 005027246.mol (via Jmol)
005027250.b3lyp_6-31g(d).inp

005027250.b3lyp_6-31g(d).qchem.inp (generated)

005027250.b3lyp_6-31g(d).gjf (generated)

005027250.b3lyp_6-31g(d).firefly.inp (generated)

005027250.b3lyp_6-31g(d).smash.inp (generated)

005027250.b3lyp_6-31g(d).nwchem.inp (generated) 005027250.b3lyp_6-31g(d).log.xz 005027250.td-b3lyp_6-31g+(d).inp 005027250.td-b3lyp_6-31g+(d).log.xz

005027250.td-b3lyp_6-31+g(d).qchem.inp (generated)

005027250.td-b3lyp_6-31+g(d).gjf (generated)

005027250.td-b3lyp_6-31+g(d).firefly.inp (generated)

005027250.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005027250.mol 005027250.PUBCHEM 005027250.mol (via Jmol)
005027307.b3lyp_6-31g(d).inp

005027307.b3lyp_6-31g(d).qchem.inp (generated)

005027307.b3lyp_6-31g(d).gjf (generated)

005027307.b3lyp_6-31g(d).firefly.inp (generated)

005027307.b3lyp_6-31g(d).smash.inp (generated)

005027307.b3lyp_6-31g(d).nwchem.inp (generated) 005027307.b3lyp_6-31g(d).log.xz 005027307.mol 005027307.PUBCHEM 005027307.mol (via Jmol)
005027315.b3lyp_6-31g(d).inp

005027315.b3lyp_6-31g(d).qchem.inp (generated)

005027315.b3lyp_6-31g(d).gjf (generated)

005027315.b3lyp_6-31g(d).firefly.inp (generated)

005027315.b3lyp_6-31g(d).smash.inp (generated)

005027315.b3lyp_6-31g(d).nwchem.inp (generated) 005027315.b3lyp_6-31g(d).log.xz 005027315.td-b3lyp_6-31g+(d).inp 005027315.td-b3lyp_6-31g+(d).log.xz

005027315.td-b3lyp_6-31+g(d).qchem.inp (generated)

005027315.td-b3lyp_6-31+g(d).gjf (generated)

005027315.td-b3lyp_6-31+g(d).firefly.inp (generated)

005027315.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005027315.mol 005027315.PUBCHEM 005027315.mol (via Jmol)
005027343.b3lyp_6-31g(d).inp

005027343.b3lyp_6-31g(d).qchem.inp (generated)

005027343.b3lyp_6-31g(d).gjf (generated)

005027343.b3lyp_6-31g(d).firefly.inp (generated)

005027343.b3lyp_6-31g(d).smash.inp (generated)

005027343.b3lyp_6-31g(d).nwchem.inp (generated) 005027343.b3lyp_6-31g(d).log.xz 005027343.mol 005027343.PUBCHEM 005027343.mol (via Jmol)
005027345.b3lyp_6-31g(d).inp

005027345.b3lyp_6-31g(d).qchem.inp (generated)

005027345.b3lyp_6-31g(d).gjf (generated)

005027345.b3lyp_6-31g(d).firefly.inp (generated)

005027345.b3lyp_6-31g(d).smash.inp (generated)

005027345.b3lyp_6-31g(d).nwchem.inp (generated) 005027345.b3lyp_6-31g(d).log.xz 005027345.mol 005027345.PUBCHEM 005027345.mol (via Jmol)
005027409.b3lyp_6-31g(d).inp

005027409.b3lyp_6-31g(d).qchem.inp (generated)

005027409.b3lyp_6-31g(d).gjf (generated)

005027409.b3lyp_6-31g(d).firefly.inp (generated)

005027409.b3lyp_6-31g(d).smash.inp (generated)

005027409.b3lyp_6-31g(d).nwchem.inp (generated) 005027409.b3lyp_6-31g(d).log.xz 005027409.td-b3lyp_6-31g+(d).inp 005027409.td-b3lyp_6-31g+(d).log.xz

005027409.td-b3lyp_6-31+g(d).qchem.inp (generated)

005027409.td-b3lyp_6-31+g(d).gjf (generated)

005027409.td-b3lyp_6-31+g(d).firefly.inp (generated)

005027409.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005027409.mol 005027409.PUBCHEM 005027409.mol (via Jmol)
005027431.b3lyp_6-31g(d).inp

005027431.b3lyp_6-31g(d).qchem.inp (generated)

005027431.b3lyp_6-31g(d).gjf (generated)

005027431.b3lyp_6-31g(d).firefly.inp (generated)

005027431.b3lyp_6-31g(d).smash.inp (generated)

005027431.b3lyp_6-31g(d).nwchem.inp (generated) 005027431.b3lyp_6-31g(d).log.xz 005027431.td-b3lyp_6-31g+(d).inp 005027431.td-b3lyp_6-31g+(d).log.xz

005027431.td-b3lyp_6-31+g(d).qchem.inp (generated)

005027431.td-b3lyp_6-31+g(d).gjf (generated)

005027431.td-b3lyp_6-31+g(d).firefly.inp (generated)

005027431.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005027431.mol 005027431.PUBCHEM 005027431.mol (via Jmol)
005027435.b3lyp_6-31g(d).inp

005027435.b3lyp_6-31g(d).qchem.inp (generated)

005027435.b3lyp_6-31g(d).gjf (generated)

005027435.b3lyp_6-31g(d).firefly.inp (generated)

005027435.b3lyp_6-31g(d).smash.inp (generated)

005027435.b3lyp_6-31g(d).nwchem.inp (generated) 005027435.b3lyp_6-31g(d).log.xz 005027435.td-b3lyp_6-31g+(d).inp 005027435.td-b3lyp_6-31g+(d).log.xz

005027435.td-b3lyp_6-31+g(d).qchem.inp (generated)

005027435.td-b3lyp_6-31+g(d).gjf (generated)

005027435.td-b3lyp_6-31+g(d).firefly.inp (generated)

005027435.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005027435.mol 005027435.PUBCHEM 005027435.mol (via Jmol)
005027476.b3lyp_6-31g(d).inp

005027476.b3lyp_6-31g(d).qchem.inp (generated)

005027476.b3lyp_6-31g(d).gjf (generated)

005027476.b3lyp_6-31g(d).firefly.inp (generated)

005027476.b3lyp_6-31g(d).smash.inp (generated)

005027476.b3lyp_6-31g(d).nwchem.inp (generated) 005027476.b3lyp_6-31g(d).log.xz 005027476.td-b3lyp_6-31g+(d).inp 005027476.td-b3lyp_6-31g+(d).log.xz

005027476.td-b3lyp_6-31+g(d).qchem.inp (generated)

005027476.td-b3lyp_6-31+g(d).gjf (generated)

005027476.td-b3lyp_6-31+g(d).firefly.inp (generated)

005027476.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005027476.mol 005027476.PUBCHEM 005027476.mol (via Jmol)
005027619.b3lyp_6-31g(d).inp

005027619.b3lyp_6-31g(d).qchem.inp (generated)

005027619.b3lyp_6-31g(d).gjf (generated)

005027619.b3lyp_6-31g(d).firefly.inp (generated)

005027619.b3lyp_6-31g(d).smash.inp (generated)

005027619.b3lyp_6-31g(d).nwchem.inp (generated) 005027619.b3lyp_6-31g(d).log.xz 005027619.mol 005027619.PUBCHEM 005027619.mol (via Jmol)
005027715.b3lyp_6-31g(d).inp

005027715.b3lyp_6-31g(d).qchem.inp (generated)

005027715.b3lyp_6-31g(d).gjf (generated)

005027715.b3lyp_6-31g(d).firefly.inp (generated)

005027715.b3lyp_6-31g(d).smash.inp (generated)

005027715.b3lyp_6-31g(d).nwchem.inp (generated) 005027715.b3lyp_6-31g(d).log.xz 005027715.mol 005027715.PUBCHEM 005027715.mol (via Jmol)
005027753.b3lyp_6-31g(d).inp

005027753.b3lyp_6-31g(d).qchem.inp (generated)

005027753.b3lyp_6-31g(d).gjf (generated)

005027753.b3lyp_6-31g(d).firefly.inp (generated)

005027753.b3lyp_6-31g(d).smash.inp (generated)

005027753.b3lyp_6-31g(d).nwchem.inp (generated) 005027753.b3lyp_6-31g(d).log.xz 005027753.td-b3lyp_6-31g+(d).inp 005027753.td-b3lyp_6-31g+(d).log.xz

005027753.td-b3lyp_6-31+g(d).qchem.inp (generated)

005027753.td-b3lyp_6-31+g(d).gjf (generated)

005027753.td-b3lyp_6-31+g(d).firefly.inp (generated)

005027753.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005027753.mol 005027753.PUBCHEM 005027753.mol (via Jmol)
005027754.b3lyp_6-31g(d).inp

005027754.b3lyp_6-31g(d).qchem.inp (generated)

005027754.b3lyp_6-31g(d).gjf (generated)

005027754.b3lyp_6-31g(d).firefly.inp (generated)

005027754.b3lyp_6-31g(d).smash.inp (generated)

005027754.b3lyp_6-31g(d).nwchem.inp (generated) 005027754.b3lyp_6-31g(d).log.xz 005027754.td-b3lyp_6-31g+(d).inp 005027754.td-b3lyp_6-31g+(d).log.xz

005027754.td-b3lyp_6-31+g(d).qchem.inp (generated)

005027754.td-b3lyp_6-31+g(d).gjf (generated)

005027754.td-b3lyp_6-31+g(d).firefly.inp (generated)

005027754.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005027754.mol 005027754.PUBCHEM 005027754.mol (via Jmol)
005027838.b3lyp_6-31g(d).inp

005027838.b3lyp_6-31g(d).qchem.inp (generated)

005027838.b3lyp_6-31g(d).gjf (generated)

005027838.b3lyp_6-31g(d).firefly.inp (generated)

005027838.b3lyp_6-31g(d).smash.inp (generated)

005027838.b3lyp_6-31g(d).nwchem.inp (generated) 005027838.b3lyp_6-31g(d).log.xz 005027838.td-b3lyp_6-31g+(d).inp 005027838.td-b3lyp_6-31g+(d).log.xz

005027838.td-b3lyp_6-31+g(d).qchem.inp (generated)

005027838.td-b3lyp_6-31+g(d).gjf (generated)

005027838.td-b3lyp_6-31+g(d).firefly.inp (generated)

005027838.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005027838.mol 005027838.PUBCHEM 005027838.mol (via Jmol)
005027841.b3lyp_6-31g(d).inp

005027841.b3lyp_6-31g(d).qchem.inp (generated)

005027841.b3lyp_6-31g(d).gjf (generated)

005027841.b3lyp_6-31g(d).firefly.inp (generated)

005027841.b3lyp_6-31g(d).smash.inp (generated)

005027841.b3lyp_6-31g(d).nwchem.inp (generated) 005027841.b3lyp_6-31g(d).log.xz 005027841.td-b3lyp_6-31g+(d).inp 005027841.td-b3lyp_6-31g+(d).log.xz

005027841.td-b3lyp_6-31+g(d).qchem.inp (generated)

005027841.td-b3lyp_6-31+g(d).gjf (generated)

005027841.td-b3lyp_6-31+g(d).firefly.inp (generated)

005027841.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005027841.mol 005027841.PUBCHEM 005027841.mol (via Jmol)
005027846.b3lyp_6-31g(d).inp

005027846.b3lyp_6-31g(d).qchem.inp (generated)

005027846.b3lyp_6-31g(d).gjf (generated)

005027846.b3lyp_6-31g(d).firefly.inp (generated)

005027846.b3lyp_6-31g(d).smash.inp (generated)

005027846.b3lyp_6-31g(d).nwchem.inp (generated) 005027846.b3lyp_6-31g(d).log.xz 005027846.td-b3lyp_6-31g+(d).inp 005027846.td-b3lyp_6-31g+(d).log.xz

005027846.td-b3lyp_6-31+g(d).qchem.inp (generated)

005027846.td-b3lyp_6-31+g(d).gjf (generated)

005027846.td-b3lyp_6-31+g(d).firefly.inp (generated)

005027846.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005027846.mol 005027846.PUBCHEM 005027846.mol (via Jmol)
005027941.b3lyp_6-31g(d).inp

005027941.b3lyp_6-31g(d).qchem.inp (generated)

005027941.b3lyp_6-31g(d).gjf (generated)

005027941.b3lyp_6-31g(d).firefly.inp (generated)

005027941.b3lyp_6-31g(d).smash.inp (generated)

005027941.b3lyp_6-31g(d).nwchem.inp (generated) 005027941.b3lyp_6-31g(d).log.xz 005027941.td-b3lyp_6-31g+(d).inp 005027941.td-b3lyp_6-31g+(d).log.xz

005027941.td-b3lyp_6-31+g(d).qchem.inp (generated)

005027941.td-b3lyp_6-31+g(d).gjf (generated)

005027941.td-b3lyp_6-31+g(d).firefly.inp (generated)

005027941.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005027941.mol 005027941.PUBCHEM 005027941.mol (via Jmol)
005027982.b3lyp_6-31g(d).inp

005027982.b3lyp_6-31g(d).qchem.inp (generated)

005027982.b3lyp_6-31g(d).gjf (generated)

005027982.b3lyp_6-31g(d).firefly.inp (generated)

005027982.b3lyp_6-31g(d).smash.inp (generated)

005027982.b3lyp_6-31g(d).nwchem.inp (generated) 005027982.b3lyp_6-31g(d).log.xz 005027982.td-b3lyp_6-31g+(d).inp 005027982.td-b3lyp_6-31g+(d).log.xz

005027982.td-b3lyp_6-31+g(d).qchem.inp (generated)

005027982.td-b3lyp_6-31+g(d).gjf (generated)

005027982.td-b3lyp_6-31+g(d).firefly.inp (generated)

005027982.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005027982.mol 005027982.PUBCHEM 005027982.mol (via Jmol)
005027983.b3lyp_6-31g(d).inp

005027983.b3lyp_6-31g(d).qchem.inp (generated)

005027983.b3lyp_6-31g(d).gjf (generated)

005027983.b3lyp_6-31g(d).firefly.inp (generated)

005027983.b3lyp_6-31g(d).smash.inp (generated)

005027983.b3lyp_6-31g(d).nwchem.inp (generated) 005027983.b3lyp_6-31g(d).log.xz 005027983.mol 005027983.PUBCHEM 005027983.mol (via Jmol)
005028127.b3lyp_6-31g(d).inp

005028127.b3lyp_6-31g(d).qchem.inp (generated)

005028127.b3lyp_6-31g(d).gjf (generated)

005028127.b3lyp_6-31g(d).firefly.inp (generated)

005028127.b3lyp_6-31g(d).smash.inp (generated)

005028127.b3lyp_6-31g(d).nwchem.inp (generated) 005028127.b3lyp_6-31g(d).log.xz 005028127.mol 005028127.PUBCHEM 005028127.mol (via Jmol)
005028287.b3lyp_6-31g(d).inp

005028287.b3lyp_6-31g(d).qchem.inp (generated)

005028287.b3lyp_6-31g(d).gjf (generated)

005028287.b3lyp_6-31g(d).firefly.inp (generated)

005028287.b3lyp_6-31g(d).smash.inp (generated)

005028287.b3lyp_6-31g(d).nwchem.inp (generated) 005028287.b3lyp_6-31g(d).log.xz 005028287.td-b3lyp_6-31g+(d).inp 005028287.td-b3lyp_6-31g+(d).log.xz

005028287.td-b3lyp_6-31+g(d).qchem.inp (generated)

005028287.td-b3lyp_6-31+g(d).gjf (generated)

005028287.td-b3lyp_6-31+g(d).firefly.inp (generated)

005028287.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005028287.mol 005028287.PUBCHEM 005028287.mol (via Jmol)
005028288.b3lyp_6-31g(d).inp

005028288.b3lyp_6-31g(d).qchem.inp (generated)

005028288.b3lyp_6-31g(d).gjf (generated)

005028288.b3lyp_6-31g(d).firefly.inp (generated)

005028288.b3lyp_6-31g(d).smash.inp (generated)

005028288.b3lyp_6-31g(d).nwchem.inp (generated) 005028288.b3lyp_6-31g(d).log.xz 005028288.mol 005028288.PUBCHEM 005028288.mol (via Jmol)
005028324.b3lyp_6-31g(d).inp

005028324.b3lyp_6-31g(d).qchem.inp (generated)

005028324.b3lyp_6-31g(d).gjf (generated)

005028324.b3lyp_6-31g(d).firefly.inp (generated)

005028324.b3lyp_6-31g(d).smash.inp (generated)

005028324.b3lyp_6-31g(d).nwchem.inp (generated) 005028324.b3lyp_6-31g(d).log.xz 005028324.td-b3lyp_6-31g+(d).inp 005028324.td-b3lyp_6-31g+(d).log.xz

005028324.td-b3lyp_6-31+g(d).qchem.inp (generated)

005028324.td-b3lyp_6-31+g(d).gjf (generated)

005028324.td-b3lyp_6-31+g(d).firefly.inp (generated)

005028324.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005028324.mol 005028324.PUBCHEM 005028324.mol (via Jmol)
005028327.b3lyp_6-31g(d).inp

005028327.b3lyp_6-31g(d).qchem.inp (generated)

005028327.b3lyp_6-31g(d).gjf (generated)

005028327.b3lyp_6-31g(d).firefly.inp (generated)

005028327.b3lyp_6-31g(d).smash.inp (generated)

005028327.b3lyp_6-31g(d).nwchem.inp (generated) 005028327.b3lyp_6-31g(d).log.xz 005028327.td-b3lyp_6-31g+(d).inp 005028327.td-b3lyp_6-31g+(d).log.xz

005028327.td-b3lyp_6-31+g(d).qchem.inp (generated)

005028327.td-b3lyp_6-31+g(d).gjf (generated)

005028327.td-b3lyp_6-31+g(d).firefly.inp (generated)

005028327.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005028327.mol 005028327.PUBCHEM 005028327.mol (via Jmol)
005028361.b3lyp_6-31g(d).inp

005028361.b3lyp_6-31g(d).qchem.inp (generated)

005028361.b3lyp_6-31g(d).gjf (generated)

005028361.b3lyp_6-31g(d).firefly.inp (generated)

005028361.b3lyp_6-31g(d).smash.inp (generated)

005028361.b3lyp_6-31g(d).nwchem.inp (generated) 005028361.b3lyp_6-31g(d).log.xz 005028361.td-b3lyp_6-31g+(d).inp 005028361.td-b3lyp_6-31g+(d).log.xz

005028361.td-b3lyp_6-31+g(d).qchem.inp (generated)

005028361.td-b3lyp_6-31+g(d).gjf (generated)

005028361.td-b3lyp_6-31+g(d).firefly.inp (generated)

005028361.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005028361.mol 005028361.PUBCHEM 005028361.mol (via Jmol)
005028374.b3lyp_6-31g(d).inp

005028374.b3lyp_6-31g(d).qchem.inp (generated)

005028374.b3lyp_6-31g(d).gjf (generated)

005028374.b3lyp_6-31g(d).firefly.inp (generated)

005028374.b3lyp_6-31g(d).smash.inp (generated)

005028374.b3lyp_6-31g(d).nwchem.inp (generated) 005028374.b3lyp_6-31g(d).log.xz 005028374.td-b3lyp_6-31g+(d).inp 005028374.td-b3lyp_6-31g+(d).log.xz

005028374.td-b3lyp_6-31+g(d).qchem.inp (generated)

005028374.td-b3lyp_6-31+g(d).gjf (generated)

005028374.td-b3lyp_6-31+g(d).firefly.inp (generated)

005028374.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005028374.mol 005028374.PUBCHEM 005028374.mol (via Jmol)
005028375.b3lyp_6-31g(d).inp

005028375.b3lyp_6-31g(d).qchem.inp (generated)

005028375.b3lyp_6-31g(d).gjf (generated)

005028375.b3lyp_6-31g(d).firefly.inp (generated)

005028375.b3lyp_6-31g(d).smash.inp (generated)

005028375.b3lyp_6-31g(d).nwchem.inp (generated) 005028375.b3lyp_6-31g(d).log.xz 005028375.td-b3lyp_6-31g+(d).inp 005028375.td-b3lyp_6-31g+(d).log.xz

005028375.td-b3lyp_6-31+g(d).qchem.inp (generated)

005028375.td-b3lyp_6-31+g(d).gjf (generated)

005028375.td-b3lyp_6-31+g(d).firefly.inp (generated)

005028375.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005028375.mol 005028375.PUBCHEM 005028375.mol (via Jmol)
005028377.b3lyp_6-31g(d).inp

005028377.b3lyp_6-31g(d).qchem.inp (generated)

005028377.b3lyp_6-31g(d).gjf (generated)

005028377.b3lyp_6-31g(d).firefly.inp (generated)

005028377.b3lyp_6-31g(d).smash.inp (generated)

005028377.b3lyp_6-31g(d).nwchem.inp (generated) 005028377.b3lyp_6-31g(d).log.xz 005028377.td-b3lyp_6-31g+(d).inp 005028377.td-b3lyp_6-31g+(d).log.xz

005028377.td-b3lyp_6-31+g(d).qchem.inp (generated)

005028377.td-b3lyp_6-31+g(d).gjf (generated)

005028377.td-b3lyp_6-31+g(d).firefly.inp (generated)

005028377.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005028377.mol 005028377.PUBCHEM 005028377.mol (via Jmol)
005028406.b3lyp_6-31g(d).inp

005028406.b3lyp_6-31g(d).qchem.inp (generated)

005028406.b3lyp_6-31g(d).gjf (generated)

005028406.b3lyp_6-31g(d).firefly.inp (generated)

005028406.b3lyp_6-31g(d).smash.inp (generated)

005028406.b3lyp_6-31g(d).nwchem.inp (generated) 005028406.b3lyp_6-31g(d).log.xz 005028406.td-b3lyp_6-31g+(d).inp 005028406.td-b3lyp_6-31g+(d).log.xz

005028406.td-b3lyp_6-31+g(d).qchem.inp (generated)

005028406.td-b3lyp_6-31+g(d).gjf (generated)

005028406.td-b3lyp_6-31+g(d).firefly.inp (generated)

005028406.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005028406.mol 005028406.PUBCHEM 005028406.mol (via Jmol)
005028412.b3lyp_6-31g(d).inp

005028412.b3lyp_6-31g(d).qchem.inp (generated)

005028412.b3lyp_6-31g(d).gjf (generated)

005028412.b3lyp_6-31g(d).firefly.inp (generated)

005028412.b3lyp_6-31g(d).smash.inp (generated)

005028412.b3lyp_6-31g(d).nwchem.inp (generated) 005028412.b3lyp_6-31g(d).log.xz 005028412.td-b3lyp_6-31g+(d).inp 005028412.td-b3lyp_6-31g+(d).log.xz

005028412.td-b3lyp_6-31+g(d).qchem.inp (generated)

005028412.td-b3lyp_6-31+g(d).gjf (generated)

005028412.td-b3lyp_6-31+g(d).firefly.inp (generated)

005028412.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005028412.mol 005028412.PUBCHEM 005028412.mol (via Jmol)
005028638.b3lyp_6-31g(d).inp

005028638.b3lyp_6-31g(d).qchem.inp (generated)

005028638.b3lyp_6-31g(d).gjf (generated)

005028638.b3lyp_6-31g(d).firefly.inp (generated)

005028638.b3lyp_6-31g(d).smash.inp (generated)

005028638.b3lyp_6-31g(d).nwchem.inp (generated) 005028638.b3lyp_6-31g(d).log.xz 005028638.mol 005028638.PUBCHEM 005028638.mol (via Jmol)
005028641.b3lyp_6-31g(d).inp

005028641.b3lyp_6-31g(d).qchem.inp (generated)

005028641.b3lyp_6-31g(d).gjf (generated)

005028641.b3lyp_6-31g(d).firefly.inp (generated)

005028641.b3lyp_6-31g(d).smash.inp (generated)

005028641.b3lyp_6-31g(d).nwchem.inp (generated) 005028641.b3lyp_6-31g(d).log.xz 005028641.td-b3lyp_6-31g+(d).inp 005028641.td-b3lyp_6-31g+(d).log.xz

005028641.td-b3lyp_6-31+g(d).qchem.inp (generated)

005028641.td-b3lyp_6-31+g(d).gjf (generated)

005028641.td-b3lyp_6-31+g(d).firefly.inp (generated)

005028641.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005028641.mol 005028641.PUBCHEM 005028641.mol (via Jmol)
005028646.b3lyp_6-31g(d).inp

005028646.b3lyp_6-31g(d).qchem.inp (generated)

005028646.b3lyp_6-31g(d).gjf (generated)

005028646.b3lyp_6-31g(d).firefly.inp (generated)

005028646.b3lyp_6-31g(d).smash.inp (generated)

005028646.b3lyp_6-31g(d).nwchem.inp (generated) 005028646.b3lyp_6-31g(d).log.xz 005028646.td-b3lyp_6-31g+(d).inp 005028646.td-b3lyp_6-31g+(d).log.xz

005028646.td-b3lyp_6-31+g(d).qchem.inp (generated)

005028646.td-b3lyp_6-31+g(d).gjf (generated)

005028646.td-b3lyp_6-31+g(d).firefly.inp (generated)

005028646.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005028646.mol 005028646.PUBCHEM 005028646.mol (via Jmol)
005028648.b3lyp_6-31g(d).inp

005028648.b3lyp_6-31g(d).qchem.inp (generated)

005028648.b3lyp_6-31g(d).gjf (generated)

005028648.b3lyp_6-31g(d).firefly.inp (generated)

005028648.b3lyp_6-31g(d).smash.inp (generated)

005028648.b3lyp_6-31g(d).nwchem.inp (generated) 005028648.b3lyp_6-31g(d).log.xz 005028648.td-b3lyp_6-31g+(d).inp 005028648.td-b3lyp_6-31g+(d).log.xz

005028648.td-b3lyp_6-31+g(d).qchem.inp (generated)

005028648.td-b3lyp_6-31+g(d).gjf (generated)

005028648.td-b3lyp_6-31+g(d).firefly.inp (generated)

005028648.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005028648.mol 005028648.PUBCHEM 005028648.mol (via Jmol)
005028649.b3lyp_6-31g(d).inp

005028649.b3lyp_6-31g(d).qchem.inp (generated)

005028649.b3lyp_6-31g(d).gjf (generated)

005028649.b3lyp_6-31g(d).firefly.inp (generated)

005028649.b3lyp_6-31g(d).smash.inp (generated)

005028649.b3lyp_6-31g(d).nwchem.inp (generated) 005028649.b3lyp_6-31g(d).log.xz 005028649.td-b3lyp_6-31g+(d).inp 005028649.td-b3lyp_6-31g+(d).log.xz

005028649.td-b3lyp_6-31+g(d).qchem.inp (generated)

005028649.td-b3lyp_6-31+g(d).gjf (generated)

005028649.td-b3lyp_6-31+g(d).firefly.inp (generated)

005028649.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005028649.mol 005028649.PUBCHEM 005028649.mol (via Jmol)
005028705.b3lyp_6-31g(d).inp

005028705.b3lyp_6-31g(d).qchem.inp (generated)

005028705.b3lyp_6-31g(d).gjf (generated)

005028705.b3lyp_6-31g(d).firefly.inp (generated)

005028705.b3lyp_6-31g(d).smash.inp (generated)

005028705.b3lyp_6-31g(d).nwchem.inp (generated) 005028705.b3lyp_6-31g(d).log.xz 005028705.mol 005028705.PUBCHEM 005028705.mol (via Jmol)
005028710.b3lyp_6-31g(d).inp

005028710.b3lyp_6-31g(d).qchem.inp (generated)

005028710.b3lyp_6-31g(d).gjf (generated)

005028710.b3lyp_6-31g(d).firefly.inp (generated)

005028710.b3lyp_6-31g(d).smash.inp (generated)

005028710.b3lyp_6-31g(d).nwchem.inp (generated) 005028710.b3lyp_6-31g(d).log.xz 005028710.td-b3lyp_6-31g+(d).inp 005028710.td-b3lyp_6-31g+(d).log.xz

005028710.td-b3lyp_6-31+g(d).qchem.inp (generated)

005028710.td-b3lyp_6-31+g(d).gjf (generated)

005028710.td-b3lyp_6-31+g(d).firefly.inp (generated)

005028710.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005028710.mol 005028710.PUBCHEM 005028710.mol (via Jmol)
005028712.b3lyp_6-31g(d).inp

005028712.b3lyp_6-31g(d).qchem.inp (generated)

005028712.b3lyp_6-31g(d).gjf (generated)

005028712.b3lyp_6-31g(d).firefly.inp (generated)

005028712.b3lyp_6-31g(d).smash.inp (generated)

005028712.b3lyp_6-31g(d).nwchem.inp (generated) 005028712.b3lyp_6-31g(d).log.xz 005028712.td-b3lyp_6-31g+(d).inp 005028712.td-b3lyp_6-31g+(d).log.xz

005028712.td-b3lyp_6-31+g(d).qchem.inp (generated)

005028712.td-b3lyp_6-31+g(d).gjf (generated)

005028712.td-b3lyp_6-31+g(d).firefly.inp (generated)

005028712.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005028712.mol 005028712.PUBCHEM 005028712.mol (via Jmol)
005028716.b3lyp_6-31g(d).inp

005028716.b3lyp_6-31g(d).qchem.inp (generated)

005028716.b3lyp_6-31g(d).gjf (generated)

005028716.b3lyp_6-31g(d).firefly.inp (generated)

005028716.b3lyp_6-31g(d).smash.inp (generated)

005028716.b3lyp_6-31g(d).nwchem.inp (generated) 005028716.b3lyp_6-31g(d).log.xz 005028716.td-b3lyp_6-31g+(d).inp 005028716.td-b3lyp_6-31g+(d).log.xz

005028716.td-b3lyp_6-31+g(d).qchem.inp (generated)

005028716.td-b3lyp_6-31+g(d).gjf (generated)

005028716.td-b3lyp_6-31+g(d).firefly.inp (generated)

005028716.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005028716.mol 005028716.PUBCHEM 005028716.mol (via Jmol)
005028719.b3lyp_6-31g(d).inp

005028719.b3lyp_6-31g(d).qchem.inp (generated)

005028719.b3lyp_6-31g(d).gjf (generated)

005028719.b3lyp_6-31g(d).firefly.inp (generated)

005028719.b3lyp_6-31g(d).smash.inp (generated)

005028719.b3lyp_6-31g(d).nwchem.inp (generated) 005028719.b3lyp_6-31g(d).log.xz 005028719.mol 005028719.PUBCHEM 005028719.mol (via Jmol)
005028732.b3lyp_6-31g(d).inp

005028732.b3lyp_6-31g(d).qchem.inp (generated)

005028732.b3lyp_6-31g(d).gjf (generated)

005028732.b3lyp_6-31g(d).firefly.inp (generated)

005028732.b3lyp_6-31g(d).smash.inp (generated)

005028732.b3lyp_6-31g(d).nwchem.inp (generated) 005028732.b3lyp_6-31g(d).log.xz 005028732.td-b3lyp_6-31g+(d).inp 005028732.td-b3lyp_6-31g+(d).log.xz

005028732.td-b3lyp_6-31+g(d).qchem.inp (generated)

005028732.td-b3lyp_6-31+g(d).gjf (generated)

005028732.td-b3lyp_6-31+g(d).firefly.inp (generated)

005028732.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005028732.mol 005028732.PUBCHEM 005028732.mol (via Jmol)
005028779.b3lyp_6-31g(d).inp

005028779.b3lyp_6-31g(d).qchem.inp (generated)

005028779.b3lyp_6-31g(d).gjf (generated)

005028779.b3lyp_6-31g(d).firefly.inp (generated)

005028779.b3lyp_6-31g(d).smash.inp (generated)

005028779.b3lyp_6-31g(d).nwchem.inp (generated) 005028779.b3lyp_6-31g(d).log.xz 005028779.td-b3lyp_6-31g+(d).inp 005028779.td-b3lyp_6-31g+(d).log.xz

005028779.td-b3lyp_6-31+g(d).qchem.inp (generated)

005028779.td-b3lyp_6-31+g(d).gjf (generated)

005028779.td-b3lyp_6-31+g(d).firefly.inp (generated)

005028779.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005028779.mol 005028779.PUBCHEM 005028779.mol (via Jmol)
005028780.b3lyp_6-31g(d).inp

005028780.b3lyp_6-31g(d).qchem.inp (generated)

005028780.b3lyp_6-31g(d).gjf (generated)

005028780.b3lyp_6-31g(d).firefly.inp (generated)

005028780.b3lyp_6-31g(d).smash.inp (generated)

005028780.b3lyp_6-31g(d).nwchem.inp (generated) 005028780.b3lyp_6-31g(d).log.xz 005028780.td-b3lyp_6-31g+(d).inp 005028780.td-b3lyp_6-31g+(d).log.xz

005028780.td-b3lyp_6-31+g(d).qchem.inp (generated)

005028780.td-b3lyp_6-31+g(d).gjf (generated)

005028780.td-b3lyp_6-31+g(d).firefly.inp (generated)

005028780.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005028780.mol 005028780.PUBCHEM 005028780.mol (via Jmol)
005028781.b3lyp_6-31g(d).inp

005028781.b3lyp_6-31g(d).qchem.inp (generated)

005028781.b3lyp_6-31g(d).gjf (generated)

005028781.b3lyp_6-31g(d).firefly.inp (generated)

005028781.b3lyp_6-31g(d).smash.inp (generated)

005028781.b3lyp_6-31g(d).nwchem.inp (generated) 005028781.b3lyp_6-31g(d).log.xz 005028781.mol 005028781.PUBCHEM 005028781.mol (via Jmol)
005028886.b3lyp_6-31g(d).inp

005028886.b3lyp_6-31g(d).qchem.inp (generated)

005028886.b3lyp_6-31g(d).gjf (generated)

005028886.b3lyp_6-31g(d).firefly.inp (generated)

005028886.b3lyp_6-31g(d).smash.inp (generated)

005028886.b3lyp_6-31g(d).nwchem.inp (generated) 005028886.b3lyp_6-31g(d).log.xz 005028886.td-b3lyp_6-31g+(d).inp 005028886.td-b3lyp_6-31g+(d).log.xz

005028886.td-b3lyp_6-31+g(d).qchem.inp (generated)

005028886.td-b3lyp_6-31+g(d).gjf (generated)

005028886.td-b3lyp_6-31+g(d).firefly.inp (generated)

005028886.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005028886.mol 005028886.PUBCHEM 005028886.mol (via Jmol)
005028887.b3lyp_6-31g(d).inp

005028887.b3lyp_6-31g(d).qchem.inp (generated)

005028887.b3lyp_6-31g(d).gjf (generated)

005028887.b3lyp_6-31g(d).firefly.inp (generated)

005028887.b3lyp_6-31g(d).smash.inp (generated)

005028887.b3lyp_6-31g(d).nwchem.inp (generated) 005028887.b3lyp_6-31g(d).log.xz 005028887.td-b3lyp_6-31g+(d).inp 005028887.td-b3lyp_6-31g+(d).log.xz

005028887.td-b3lyp_6-31+g(d).qchem.inp (generated)

005028887.td-b3lyp_6-31+g(d).gjf (generated)

005028887.td-b3lyp_6-31+g(d).firefly.inp (generated)

005028887.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005028887.mol 005028887.PUBCHEM 005028887.mol (via Jmol)
005028904.b3lyp_6-31g(d).inp

005028904.b3lyp_6-31g(d).qchem.inp (generated)

005028904.b3lyp_6-31g(d).gjf (generated)

005028904.b3lyp_6-31g(d).firefly.inp (generated)

005028904.b3lyp_6-31g(d).smash.inp (generated)

005028904.b3lyp_6-31g(d).nwchem.inp (generated) 005028904.b3lyp_6-31g(d).log.xz 005028904.mol 005028904.PUBCHEM 005028904.mol (via Jmol)
005029090.b3lyp_6-31g(d).inp

005029090.b3lyp_6-31g(d).qchem.inp (generated)

005029090.b3lyp_6-31g(d).gjf (generated)

005029090.b3lyp_6-31g(d).firefly.inp (generated)

005029090.b3lyp_6-31g(d).smash.inp (generated)

005029090.b3lyp_6-31g(d).nwchem.inp (generated) 005029090.b3lyp_6-31g(d).log.xz 005029090.td-b3lyp_6-31g+(d).inp 005029090.td-b3lyp_6-31g+(d).log.xz

005029090.td-b3lyp_6-31+g(d).qchem.inp (generated)

005029090.td-b3lyp_6-31+g(d).gjf (generated)

005029090.td-b3lyp_6-31+g(d).firefly.inp (generated)

005029090.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005029090.mol 005029090.PUBCHEM 005029090.mol (via Jmol)
005029095.b3lyp_6-31g(d).inp

005029095.b3lyp_6-31g(d).qchem.inp (generated)

005029095.b3lyp_6-31g(d).gjf (generated)

005029095.b3lyp_6-31g(d).firefly.inp (generated)

005029095.b3lyp_6-31g(d).smash.inp (generated)

005029095.b3lyp_6-31g(d).nwchem.inp (generated) 005029095.b3lyp_6-31g(d).log.xz 005029095.td-b3lyp_6-31g+(d).inp 005029095.td-b3lyp_6-31g+(d).log.xz

005029095.td-b3lyp_6-31+g(d).qchem.inp (generated)

005029095.td-b3lyp_6-31+g(d).gjf (generated)

005029095.td-b3lyp_6-31+g(d).firefly.inp (generated)

005029095.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005029095.mol 005029095.PUBCHEM 005029095.mol (via Jmol)
005029110.b3lyp_6-31g(d).inp

005029110.b3lyp_6-31g(d).qchem.inp (generated)

005029110.b3lyp_6-31g(d).gjf (generated)

005029110.b3lyp_6-31g(d).firefly.inp (generated)

005029110.b3lyp_6-31g(d).smash.inp (generated)

005029110.b3lyp_6-31g(d).nwchem.inp (generated) 005029110.b3lyp_6-31g(d).log.xz 005029110.td-b3lyp_6-31g+(d).inp 005029110.td-b3lyp_6-31g+(d).log.xz

005029110.td-b3lyp_6-31+g(d).qchem.inp (generated)

005029110.td-b3lyp_6-31+g(d).gjf (generated)

005029110.td-b3lyp_6-31+g(d).firefly.inp (generated)

005029110.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005029110.mol 005029110.PUBCHEM 005029110.mol (via Jmol)
005029111.b3lyp_6-31g(d).inp

005029111.b3lyp_6-31g(d).qchem.inp (generated)

005029111.b3lyp_6-31g(d).gjf (generated)

005029111.b3lyp_6-31g(d).firefly.inp (generated)

005029111.b3lyp_6-31g(d).smash.inp (generated)

005029111.b3lyp_6-31g(d).nwchem.inp (generated) 005029111.b3lyp_6-31g(d).log.xz 005029111.td-b3lyp_6-31g+(d).inp 005029111.td-b3lyp_6-31g+(d).log.xz

005029111.td-b3lyp_6-31+g(d).qchem.inp (generated)

005029111.td-b3lyp_6-31+g(d).gjf (generated)

005029111.td-b3lyp_6-31+g(d).firefly.inp (generated)

005029111.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005029111.mol 005029111.PUBCHEM 005029111.mol (via Jmol)
005029201.b3lyp_6-31g(d).inp

005029201.b3lyp_6-31g(d).qchem.inp (generated)

005029201.b3lyp_6-31g(d).gjf (generated)

005029201.b3lyp_6-31g(d).firefly.inp (generated)

005029201.b3lyp_6-31g(d).smash.inp (generated)

005029201.b3lyp_6-31g(d).nwchem.inp (generated) 005029201.b3lyp_6-31g(d).log.xz 005029201.td-b3lyp_6-31g+(d).inp 005029201.td-b3lyp_6-31g+(d).log.xz

005029201.td-b3lyp_6-31+g(d).qchem.inp (generated)

005029201.td-b3lyp_6-31+g(d).gjf (generated)

005029201.td-b3lyp_6-31+g(d).firefly.inp (generated)

005029201.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005029201.mol 005029201.PUBCHEM 005029201.mol (via Jmol)
005029202.b3lyp_6-31g(d).inp

005029202.b3lyp_6-31g(d).qchem.inp (generated)

005029202.b3lyp_6-31g(d).gjf (generated)

005029202.b3lyp_6-31g(d).firefly.inp (generated)

005029202.b3lyp_6-31g(d).smash.inp (generated)

005029202.b3lyp_6-31g(d).nwchem.inp (generated) 005029202.b3lyp_6-31g(d).log.xz 005029202.td-b3lyp_6-31g+(d).inp 005029202.td-b3lyp_6-31g+(d).log.xz

005029202.td-b3lyp_6-31+g(d).qchem.inp (generated)

005029202.td-b3lyp_6-31+g(d).gjf (generated)

005029202.td-b3lyp_6-31+g(d).firefly.inp (generated)

005029202.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005029202.mol 005029202.PUBCHEM 005029202.mol (via Jmol)
005029218.b3lyp_6-31g(d).inp

005029218.b3lyp_6-31g(d).qchem.inp (generated)

005029218.b3lyp_6-31g(d).gjf (generated)

005029218.b3lyp_6-31g(d).firefly.inp (generated)

005029218.b3lyp_6-31g(d).smash.inp (generated)

005029218.b3lyp_6-31g(d).nwchem.inp (generated) 005029218.b3lyp_6-31g(d).log.xz 005029218.td-b3lyp_6-31g+(d).inp 005029218.td-b3lyp_6-31g+(d).log.xz

005029218.td-b3lyp_6-31+g(d).qchem.inp (generated)

005029218.td-b3lyp_6-31+g(d).gjf (generated)

005029218.td-b3lyp_6-31+g(d).firefly.inp (generated)

005029218.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005029218.mol 005029218.PUBCHEM 005029218.mol (via Jmol)
005029294.b3lyp_6-31g(d).inp

005029294.b3lyp_6-31g(d).qchem.inp (generated)

005029294.b3lyp_6-31g(d).gjf (generated)

005029294.b3lyp_6-31g(d).firefly.inp (generated)

005029294.b3lyp_6-31g(d).smash.inp (generated)

005029294.b3lyp_6-31g(d).nwchem.inp (generated) 005029294.b3lyp_6-31g(d).log.xz 005029294.td-b3lyp_6-31g+(d).inp 005029294.td-b3lyp_6-31g+(d).log.xz

005029294.td-b3lyp_6-31+g(d).qchem.inp (generated)

005029294.td-b3lyp_6-31+g(d).gjf (generated)

005029294.td-b3lyp_6-31+g(d).firefly.inp (generated)

005029294.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005029294.mol 005029294.PUBCHEM 005029294.mol (via Jmol)
005029364.b3lyp_6-31g(d).inp

005029364.b3lyp_6-31g(d).qchem.inp (generated)

005029364.b3lyp_6-31g(d).gjf (generated)

005029364.b3lyp_6-31g(d).firefly.inp (generated)

005029364.b3lyp_6-31g(d).smash.inp (generated)

005029364.b3lyp_6-31g(d).nwchem.inp (generated) 005029364.b3lyp_6-31g(d).log.xz 005029364.td-b3lyp_6-31g+(d).inp 005029364.td-b3lyp_6-31g+(d).log.xz

005029364.td-b3lyp_6-31+g(d).qchem.inp (generated)

005029364.td-b3lyp_6-31+g(d).gjf (generated)

005029364.td-b3lyp_6-31+g(d).firefly.inp (generated)

005029364.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005029364.mol 005029364.PUBCHEM 005029364.mol (via Jmol)
005029378.b3lyp_6-31g(d).inp

005029378.b3lyp_6-31g(d).qchem.inp (generated)

005029378.b3lyp_6-31g(d).gjf (generated)

005029378.b3lyp_6-31g(d).firefly.inp (generated)

005029378.b3lyp_6-31g(d).smash.inp (generated)

005029378.b3lyp_6-31g(d).nwchem.inp (generated) 005029378.b3lyp_6-31g(d).log.xz 005029378.td-b3lyp_6-31g+(d).inp 005029378.td-b3lyp_6-31g+(d).log.xz

005029378.td-b3lyp_6-31+g(d).qchem.inp (generated)

005029378.td-b3lyp_6-31+g(d).gjf (generated)

005029378.td-b3lyp_6-31+g(d).firefly.inp (generated)

005029378.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005029378.mol 005029378.PUBCHEM 005029378.mol (via Jmol)
005029524.b3lyp_6-31g(d).inp

005029524.b3lyp_6-31g(d).qchem.inp (generated)

005029524.b3lyp_6-31g(d).gjf (generated)

005029524.b3lyp_6-31g(d).firefly.inp (generated)

005029524.b3lyp_6-31g(d).smash.inp (generated)

005029524.b3lyp_6-31g(d).nwchem.inp (generated) 005029524.b3lyp_6-31g(d).log.xz 005029524.td-b3lyp_6-31g+(d).inp 005029524.td-b3lyp_6-31g+(d).log.xz

005029524.td-b3lyp_6-31+g(d).qchem.inp (generated)

005029524.td-b3lyp_6-31+g(d).gjf (generated)

005029524.td-b3lyp_6-31+g(d).firefly.inp (generated)

005029524.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005029524.mol 005029524.PUBCHEM 005029524.mol (via Jmol)
005029537.b3lyp_6-31g(d).inp

005029537.b3lyp_6-31g(d).qchem.inp (generated)

005029537.b3lyp_6-31g(d).gjf (generated)

005029537.b3lyp_6-31g(d).firefly.inp (generated)

005029537.b3lyp_6-31g(d).smash.inp (generated)

005029537.b3lyp_6-31g(d).nwchem.inp (generated) 005029537.b3lyp_6-31g(d).log.xz 005029537.td-b3lyp_6-31g+(d).inp 005029537.td-b3lyp_6-31g+(d).log.xz

005029537.td-b3lyp_6-31+g(d).qchem.inp (generated)

005029537.td-b3lyp_6-31+g(d).gjf (generated)

005029537.td-b3lyp_6-31+g(d).firefly.inp (generated)

005029537.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005029537.mol 005029537.PUBCHEM 005029537.mol (via Jmol)
005029550.b3lyp_6-31g(d).inp

005029550.b3lyp_6-31g(d).qchem.inp (generated)

005029550.b3lyp_6-31g(d).gjf (generated)

005029550.b3lyp_6-31g(d).firefly.inp (generated)

005029550.b3lyp_6-31g(d).smash.inp (generated)

005029550.b3lyp_6-31g(d).nwchem.inp (generated) 005029550.b3lyp_6-31g(d).log.xz 005029550.td-b3lyp_6-31g+(d).inp 005029550.td-b3lyp_6-31g+(d).log.xz

005029550.td-b3lyp_6-31+g(d).qchem.inp (generated)

005029550.td-b3lyp_6-31+g(d).gjf (generated)

005029550.td-b3lyp_6-31+g(d).firefly.inp (generated)

005029550.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005029550.mol 005029550.PUBCHEM 005029550.mol (via Jmol)
005029561.b3lyp_6-31g(d).inp

005029561.b3lyp_6-31g(d).qchem.inp (generated)

005029561.b3lyp_6-31g(d).gjf (generated)

005029561.b3lyp_6-31g(d).firefly.inp (generated)

005029561.b3lyp_6-31g(d).smash.inp (generated)

005029561.b3lyp_6-31g(d).nwchem.inp (generated) 005029561.b3lyp_6-31g(d).log.xz 005029561.td-b3lyp_6-31g+(d).inp 005029561.td-b3lyp_6-31g+(d).log.xz

005029561.td-b3lyp_6-31+g(d).qchem.inp (generated)

005029561.td-b3lyp_6-31+g(d).gjf (generated)

005029561.td-b3lyp_6-31+g(d).firefly.inp (generated)

005029561.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005029561.mol 005029561.PUBCHEM 005029561.mol (via Jmol)
005029867.b3lyp_6-31g(d).inp

005029867.b3lyp_6-31g(d).qchem.inp (generated)

005029867.b3lyp_6-31g(d).gjf (generated)

005029867.b3lyp_6-31g(d).firefly.inp (generated)

005029867.b3lyp_6-31g(d).smash.inp (generated)

005029867.b3lyp_6-31g(d).nwchem.inp (generated) 005029867.b3lyp_6-31g(d).log.xz 005029867.td-b3lyp_6-31g+(d).inp 005029867.td-b3lyp_6-31g+(d).log.xz

005029867.td-b3lyp_6-31+g(d).qchem.inp (generated)

005029867.td-b3lyp_6-31+g(d).gjf (generated)

005029867.td-b3lyp_6-31+g(d).firefly.inp (generated)

005029867.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005029867.mol 005029867.PUBCHEM 005029867.mol (via Jmol)
005029921.b3lyp_6-31g(d).inp

005029921.b3lyp_6-31g(d).qchem.inp (generated)

005029921.b3lyp_6-31g(d).gjf (generated)

005029921.b3lyp_6-31g(d).firefly.inp (generated)

005029921.b3lyp_6-31g(d).smash.inp (generated)

005029921.b3lyp_6-31g(d).nwchem.inp (generated) 005029921.b3lyp_6-31g(d).log.xz 005029921.mol 005029921.PUBCHEM 005029921.mol (via Jmol)
005030167.b3lyp_6-31g(d).inp

005030167.b3lyp_6-31g(d).qchem.inp (generated)

005030167.b3lyp_6-31g(d).gjf (generated)

005030167.b3lyp_6-31g(d).firefly.inp (generated)

005030167.b3lyp_6-31g(d).smash.inp (generated)

005030167.b3lyp_6-31g(d).nwchem.inp (generated) 005030167.b3lyp_6-31g(d).log.xz 005030167.td-b3lyp_6-31g+(d).inp 005030167.td-b3lyp_6-31g+(d).log.xz

005030167.td-b3lyp_6-31+g(d).qchem.inp (generated)

005030167.td-b3lyp_6-31+g(d).gjf (generated)

005030167.td-b3lyp_6-31+g(d).firefly.inp (generated)

005030167.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005030167.mol 005030167.PUBCHEM 005030167.mol (via Jmol)
005030266.b3lyp_6-31g(d).inp

005030266.b3lyp_6-31g(d).qchem.inp (generated)

005030266.b3lyp_6-31g(d).gjf (generated)

005030266.b3lyp_6-31g(d).firefly.inp (generated)

005030266.b3lyp_6-31g(d).smash.inp (generated)

005030266.b3lyp_6-31g(d).nwchem.inp (generated) 005030266.b3lyp_6-31g(d).log.xz 005030266.td-b3lyp_6-31g+(d).inp 005030266.td-b3lyp_6-31g+(d).log.xz

005030266.td-b3lyp_6-31+g(d).qchem.inp (generated)

005030266.td-b3lyp_6-31+g(d).gjf (generated)

005030266.td-b3lyp_6-31+g(d).firefly.inp (generated)

005030266.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005030266.mol 005030266.PUBCHEM 005030266.mol (via Jmol)
005030345.b3lyp_6-31g(d).inp

005030345.b3lyp_6-31g(d).qchem.inp (generated)

005030345.b3lyp_6-31g(d).gjf (generated)

005030345.b3lyp_6-31g(d).firefly.inp (generated)

005030345.b3lyp_6-31g(d).smash.inp (generated)

005030345.b3lyp_6-31g(d).nwchem.inp (generated) 005030345.b3lyp_6-31g(d).log.xz 005030345.td-b3lyp_6-31g+(d).inp 005030345.td-b3lyp_6-31g+(d).log.xz

005030345.td-b3lyp_6-31+g(d).qchem.inp (generated)

005030345.td-b3lyp_6-31+g(d).gjf (generated)

005030345.td-b3lyp_6-31+g(d).firefly.inp (generated)

005030345.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005030345.mol 005030345.PUBCHEM 005030345.mol (via Jmol)
005030346.b3lyp_6-31g(d).inp

005030346.b3lyp_6-31g(d).qchem.inp (generated)

005030346.b3lyp_6-31g(d).gjf (generated)

005030346.b3lyp_6-31g(d).firefly.inp (generated)

005030346.b3lyp_6-31g(d).smash.inp (generated)

005030346.b3lyp_6-31g(d).nwchem.inp (generated) 005030346.b3lyp_6-31g(d).log.xz 005030346.mol 005030346.PUBCHEM 005030346.mol (via Jmol)
005030486.b3lyp_6-31g(d).inp

005030486.b3lyp_6-31g(d).qchem.inp (generated)

005030486.b3lyp_6-31g(d).gjf (generated)

005030486.b3lyp_6-31g(d).firefly.inp (generated)

005030486.b3lyp_6-31g(d).smash.inp (generated)

005030486.b3lyp_6-31g(d).nwchem.inp (generated) 005030486.b3lyp_6-31g(d).log.xz 005030486.td-b3lyp_6-31g+(d).inp 005030486.td-b3lyp_6-31g+(d).log.xz

005030486.td-b3lyp_6-31+g(d).qchem.inp (generated)

005030486.td-b3lyp_6-31+g(d).gjf (generated)

005030486.td-b3lyp_6-31+g(d).firefly.inp (generated)

005030486.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005030486.mol 005030486.PUBCHEM 005030486.mol (via Jmol)
005030487.b3lyp_6-31g(d).inp

005030487.b3lyp_6-31g(d).qchem.inp (generated)

005030487.b3lyp_6-31g(d).gjf (generated)

005030487.b3lyp_6-31g(d).firefly.inp (generated)

005030487.b3lyp_6-31g(d).smash.inp (generated)

005030487.b3lyp_6-31g(d).nwchem.inp (generated) 005030487.b3lyp_6-31g(d).log.xz 005030487.td-b3lyp_6-31g+(d).inp 005030487.td-b3lyp_6-31g+(d).log.xz

005030487.td-b3lyp_6-31+g(d).qchem.inp (generated)

005030487.td-b3lyp_6-31+g(d).gjf (generated)

005030487.td-b3lyp_6-31+g(d).firefly.inp (generated)

005030487.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005030487.mol 005030487.PUBCHEM 005030487.mol (via Jmol)
005030535.b3lyp_6-31g(d).inp

005030535.b3lyp_6-31g(d).qchem.inp (generated)

005030535.b3lyp_6-31g(d).gjf (generated)

005030535.b3lyp_6-31g(d).firefly.inp (generated)

005030535.b3lyp_6-31g(d).smash.inp (generated)

005030535.b3lyp_6-31g(d).nwchem.inp (generated) 005030535.b3lyp_6-31g(d).log.xz 005030535.td-b3lyp_6-31g+(d).inp 005030535.td-b3lyp_6-31g+(d).log.xz

005030535.td-b3lyp_6-31+g(d).qchem.inp (generated)

005030535.td-b3lyp_6-31+g(d).gjf (generated)

005030535.td-b3lyp_6-31+g(d).firefly.inp (generated)

005030535.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005030535.mol 005030535.PUBCHEM 005030535.mol (via Jmol)
005030591.b3lyp_6-31g(d).inp

005030591.b3lyp_6-31g(d).qchem.inp (generated)

005030591.b3lyp_6-31g(d).gjf (generated)

005030591.b3lyp_6-31g(d).firefly.inp (generated)

005030591.b3lyp_6-31g(d).smash.inp (generated)

005030591.b3lyp_6-31g(d).nwchem.inp (generated) 005030591.b3lyp_6-31g(d).log.xz 005030591.td-b3lyp_6-31g+(d).inp 005030591.td-b3lyp_6-31g+(d).log.xz

005030591.td-b3lyp_6-31+g(d).qchem.inp (generated)

005030591.td-b3lyp_6-31+g(d).gjf (generated)

005030591.td-b3lyp_6-31+g(d).firefly.inp (generated)

005030591.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005030591.mol 005030591.PUBCHEM 005030591.mol (via Jmol)
005030602.b3lyp_6-31g(d).inp

005030602.b3lyp_6-31g(d).qchem.inp (generated)

005030602.b3lyp_6-31g(d).gjf (generated)

005030602.b3lyp_6-31g(d).firefly.inp (generated)

005030602.b3lyp_6-31g(d).smash.inp (generated)

005030602.b3lyp_6-31g(d).nwchem.inp (generated) 005030602.b3lyp_6-31g(d).log.xz 005030602.td-b3lyp_6-31g+(d).inp 005030602.td-b3lyp_6-31g+(d).log.xz

005030602.td-b3lyp_6-31+g(d).qchem.inp (generated)

005030602.td-b3lyp_6-31+g(d).gjf (generated)

005030602.td-b3lyp_6-31+g(d).firefly.inp (generated)

005030602.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005030602.mol 005030602.PUBCHEM 005030602.mol (via Jmol)
005030639.b3lyp_6-31g(d).inp

005030639.b3lyp_6-31g(d).qchem.inp (generated)

005030639.b3lyp_6-31g(d).gjf (generated)

005030639.b3lyp_6-31g(d).firefly.inp (generated)

005030639.b3lyp_6-31g(d).smash.inp (generated)

005030639.b3lyp_6-31g(d).nwchem.inp (generated) 005030639.b3lyp_6-31g(d).log.xz 005030639.mol 005030639.PUBCHEM 005030639.mol (via Jmol)
005030650.b3lyp_6-31g(d).inp

005030650.b3lyp_6-31g(d).qchem.inp (generated)

005030650.b3lyp_6-31g(d).gjf (generated)

005030650.b3lyp_6-31g(d).firefly.inp (generated)

005030650.b3lyp_6-31g(d).smash.inp (generated)

005030650.b3lyp_6-31g(d).nwchem.inp (generated) 005030650.b3lyp_6-31g(d).log.xz 005030650.td-b3lyp_6-31g+(d).inp 005030650.td-b3lyp_6-31g+(d).log.xz

005030650.td-b3lyp_6-31+g(d).qchem.inp (generated)

005030650.td-b3lyp_6-31+g(d).gjf (generated)

005030650.td-b3lyp_6-31+g(d).firefly.inp (generated)

005030650.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005030650.mol 005030650.PUBCHEM 005030650.mol (via Jmol)
005030657.b3lyp_6-31g(d).inp

005030657.b3lyp_6-31g(d).qchem.inp (generated)

005030657.b3lyp_6-31g(d).gjf (generated)

005030657.b3lyp_6-31g(d).firefly.inp (generated)

005030657.b3lyp_6-31g(d).smash.inp (generated)

005030657.b3lyp_6-31g(d).nwchem.inp (generated) 005030657.b3lyp_6-31g(d).log.xz 005030657.td-b3lyp_6-31g+(d).inp 005030657.td-b3lyp_6-31g+(d).log.xz

005030657.td-b3lyp_6-31+g(d).qchem.inp (generated)

005030657.td-b3lyp_6-31+g(d).gjf (generated)

005030657.td-b3lyp_6-31+g(d).firefly.inp (generated)

005030657.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005030657.mol 005030657.PUBCHEM 005030657.mol (via Jmol)
005030664.b3lyp_6-31g(d).inp

005030664.b3lyp_6-31g(d).qchem.inp (generated)

005030664.b3lyp_6-31g(d).gjf (generated)

005030664.b3lyp_6-31g(d).firefly.inp (generated)

005030664.b3lyp_6-31g(d).smash.inp (generated)

005030664.b3lyp_6-31g(d).nwchem.inp (generated) 005030664.b3lyp_6-31g(d).log.xz 005030664.td-b3lyp_6-31g+(d).inp 005030664.td-b3lyp_6-31g+(d).log.xz

005030664.td-b3lyp_6-31+g(d).qchem.inp (generated)

005030664.td-b3lyp_6-31+g(d).gjf (generated)

005030664.td-b3lyp_6-31+g(d).firefly.inp (generated)

005030664.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005030664.mol 005030664.PUBCHEM 005030664.mol (via Jmol)
005030686.b3lyp_6-31g(d).inp

005030686.b3lyp_6-31g(d).qchem.inp (generated)

005030686.b3lyp_6-31g(d).gjf (generated)

005030686.b3lyp_6-31g(d).firefly.inp (generated)

005030686.b3lyp_6-31g(d).smash.inp (generated)

005030686.b3lyp_6-31g(d).nwchem.inp (generated) 005030686.b3lyp_6-31g(d).log.xz 005030686.td-b3lyp_6-31g+(d).inp 005030686.td-b3lyp_6-31g+(d).log.xz

005030686.td-b3lyp_6-31+g(d).qchem.inp (generated)

005030686.td-b3lyp_6-31+g(d).gjf (generated)

005030686.td-b3lyp_6-31+g(d).firefly.inp (generated)

005030686.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005030686.mol 005030686.PUBCHEM 005030686.mol (via Jmol)
005030796.b3lyp_6-31g(d).inp

005030796.b3lyp_6-31g(d).qchem.inp (generated)

005030796.b3lyp_6-31g(d).gjf (generated)

005030796.b3lyp_6-31g(d).firefly.inp (generated)

005030796.b3lyp_6-31g(d).smash.inp (generated)

005030796.b3lyp_6-31g(d).nwchem.inp (generated) 005030796.b3lyp_6-31g(d).log.xz 005030796.td-b3lyp_6-31g+(d).inp 005030796.td-b3lyp_6-31g+(d).log.xz

005030796.td-b3lyp_6-31+g(d).qchem.inp (generated)

005030796.td-b3lyp_6-31+g(d).gjf (generated)

005030796.td-b3lyp_6-31+g(d).firefly.inp (generated)

005030796.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005030796.mol 005030796.PUBCHEM 005030796.mol (via Jmol)
005030845.b3lyp_6-31g(d).inp

005030845.b3lyp_6-31g(d).qchem.inp (generated)

005030845.b3lyp_6-31g(d).gjf (generated)

005030845.b3lyp_6-31g(d).firefly.inp (generated)

005030845.b3lyp_6-31g(d).smash.inp (generated)

005030845.b3lyp_6-31g(d).nwchem.inp (generated) 005030845.b3lyp_6-31g(d).log.xz 005030845.td-b3lyp_6-31g+(d).inp 005030845.td-b3lyp_6-31g+(d).log.xz

005030845.td-b3lyp_6-31+g(d).qchem.inp (generated)

005030845.td-b3lyp_6-31+g(d).gjf (generated)

005030845.td-b3lyp_6-31+g(d).firefly.inp (generated)

005030845.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005030845.mol 005030845.PUBCHEM 005030845.mol (via Jmol)
005030917.b3lyp_6-31g(d).inp

005030917.b3lyp_6-31g(d).qchem.inp (generated)

005030917.b3lyp_6-31g(d).gjf (generated)

005030917.b3lyp_6-31g(d).firefly.inp (generated)

005030917.b3lyp_6-31g(d).smash.inp (generated)

005030917.b3lyp_6-31g(d).nwchem.inp (generated) 005030917.b3lyp_6-31g(d).log.xz 005030917.td-b3lyp_6-31g+(d).inp 005030917.td-b3lyp_6-31g+(d).log.xz

005030917.td-b3lyp_6-31+g(d).qchem.inp (generated)

005030917.td-b3lyp_6-31+g(d).gjf (generated)

005030917.td-b3lyp_6-31+g(d).firefly.inp (generated)

005030917.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005030917.mol 005030917.PUBCHEM 005030917.mol (via Jmol)
005031055.b3lyp_6-31g(d).inp

005031055.b3lyp_6-31g(d).qchem.inp (generated)

005031055.b3lyp_6-31g(d).gjf (generated)

005031055.b3lyp_6-31g(d).firefly.inp (generated)

005031055.b3lyp_6-31g(d).smash.inp (generated)

005031055.b3lyp_6-31g(d).nwchem.inp (generated) 005031055.b3lyp_6-31g(d).log.xz 005031055.td-b3lyp_6-31g+(d).inp 005031055.td-b3lyp_6-31g+(d).log.xz

005031055.td-b3lyp_6-31+g(d).qchem.inp (generated)

005031055.td-b3lyp_6-31+g(d).gjf (generated)

005031055.td-b3lyp_6-31+g(d).firefly.inp (generated)

005031055.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005031055.mol 005031055.PUBCHEM 005031055.mol (via Jmol)
005031056.b3lyp_6-31g(d).inp

005031056.b3lyp_6-31g(d).qchem.inp (generated)

005031056.b3lyp_6-31g(d).gjf (generated)

005031056.b3lyp_6-31g(d).firefly.inp (generated)

005031056.b3lyp_6-31g(d).smash.inp (generated)

005031056.b3lyp_6-31g(d).nwchem.inp (generated) 005031056.b3lyp_6-31g(d).log.xz 005031056.td-b3lyp_6-31g+(d).inp 005031056.td-b3lyp_6-31g+(d).log.xz

005031056.td-b3lyp_6-31+g(d).qchem.inp (generated)

005031056.td-b3lyp_6-31+g(d).gjf (generated)

005031056.td-b3lyp_6-31+g(d).firefly.inp (generated)

005031056.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005031056.mol 005031056.PUBCHEM 005031056.mol (via Jmol)
005031059.b3lyp_6-31g(d).inp

005031059.b3lyp_6-31g(d).qchem.inp (generated)

005031059.b3lyp_6-31g(d).gjf (generated)

005031059.b3lyp_6-31g(d).firefly.inp (generated)

005031059.b3lyp_6-31g(d).smash.inp (generated)

005031059.b3lyp_6-31g(d).nwchem.inp (generated) 005031059.b3lyp_6-31g(d).log.xz 005031059.td-b3lyp_6-31g+(d).inp 005031059.td-b3lyp_6-31g+(d).log.xz

005031059.td-b3lyp_6-31+g(d).qchem.inp (generated)

005031059.td-b3lyp_6-31+g(d).gjf (generated)

005031059.td-b3lyp_6-31+g(d).firefly.inp (generated)

005031059.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005031059.mol 005031059.PUBCHEM 005031059.mol (via Jmol)
005031110.b3lyp_6-31g(d).inp

005031110.b3lyp_6-31g(d).qchem.inp (generated)

005031110.b3lyp_6-31g(d).gjf (generated)

005031110.b3lyp_6-31g(d).firefly.inp (generated)

005031110.b3lyp_6-31g(d).smash.inp (generated)

005031110.b3lyp_6-31g(d).nwchem.inp (generated) 005031110.b3lyp_6-31g(d).log.xz 005031110.td-b3lyp_6-31g+(d).inp 005031110.td-b3lyp_6-31g+(d).log.xz

005031110.td-b3lyp_6-31+g(d).qchem.inp (generated)

005031110.td-b3lyp_6-31+g(d).gjf (generated)

005031110.td-b3lyp_6-31+g(d).firefly.inp (generated)

005031110.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005031110.mol 005031110.PUBCHEM 005031110.mol (via Jmol)
005031155.b3lyp_6-31g(d).inp

005031155.b3lyp_6-31g(d).qchem.inp (generated)

005031155.b3lyp_6-31g(d).gjf (generated)

005031155.b3lyp_6-31g(d).firefly.inp (generated)

005031155.b3lyp_6-31g(d).smash.inp (generated)

005031155.b3lyp_6-31g(d).nwchem.inp (generated) 005031155.b3lyp_6-31g(d).log.xz 005031155.mol 005031155.PUBCHEM 005031155.mol (via Jmol)
005031169.b3lyp_6-31g(d).inp

005031169.b3lyp_6-31g(d).qchem.inp (generated)

005031169.b3lyp_6-31g(d).gjf (generated)

005031169.b3lyp_6-31g(d).firefly.inp (generated)

005031169.b3lyp_6-31g(d).smash.inp (generated)

005031169.b3lyp_6-31g(d).nwchem.inp (generated) 005031169.b3lyp_6-31g(d).log.xz 005031169.td-b3lyp_6-31g+(d).inp 005031169.td-b3lyp_6-31g+(d).log.xz

005031169.td-b3lyp_6-31+g(d).qchem.inp (generated)

005031169.td-b3lyp_6-31+g(d).gjf (generated)

005031169.td-b3lyp_6-31+g(d).firefly.inp (generated)

005031169.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005031169.mol 005031169.PUBCHEM 005031169.mol (via Jmol)
005031172.b3lyp_6-31g(d).inp

005031172.b3lyp_6-31g(d).qchem.inp (generated)

005031172.b3lyp_6-31g(d).gjf (generated)

005031172.b3lyp_6-31g(d).firefly.inp (generated)

005031172.b3lyp_6-31g(d).smash.inp (generated)

005031172.b3lyp_6-31g(d).nwchem.inp (generated) 005031172.b3lyp_6-31g(d).log.xz 005031172.mol 005031172.PUBCHEM 005031172.mol (via Jmol)
005031236.b3lyp_6-31g(d).inp

005031236.b3lyp_6-31g(d).qchem.inp (generated)

005031236.b3lyp_6-31g(d).gjf (generated)

005031236.b3lyp_6-31g(d).firefly.inp (generated)

005031236.b3lyp_6-31g(d).smash.inp (generated)

005031236.b3lyp_6-31g(d).nwchem.inp (generated) 005031236.b3lyp_6-31g(d).log.xz 005031236.td-b3lyp_6-31g+(d).inp 005031236.td-b3lyp_6-31g+(d).log.xz

005031236.td-b3lyp_6-31+g(d).qchem.inp (generated)

005031236.td-b3lyp_6-31+g(d).gjf (generated)

005031236.td-b3lyp_6-31+g(d).firefly.inp (generated)

005031236.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005031236.mol 005031236.PUBCHEM 005031236.mol (via Jmol)
005031238.b3lyp_6-31g(d).inp

005031238.b3lyp_6-31g(d).qchem.inp (generated)

005031238.b3lyp_6-31g(d).gjf (generated)

005031238.b3lyp_6-31g(d).firefly.inp (generated)

005031238.b3lyp_6-31g(d).smash.inp (generated)

005031238.b3lyp_6-31g(d).nwchem.inp (generated) 005031238.b3lyp_6-31g(d).log.xz 005031238.td-b3lyp_6-31g+(d).inp 005031238.td-b3lyp_6-31g+(d).log.xz

005031238.td-b3lyp_6-31+g(d).qchem.inp (generated)

005031238.td-b3lyp_6-31+g(d).gjf (generated)

005031238.td-b3lyp_6-31+g(d).firefly.inp (generated)

005031238.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005031238.mol 005031238.PUBCHEM 005031238.mol (via Jmol)
005031239.b3lyp_6-31g(d).inp

005031239.b3lyp_6-31g(d).qchem.inp (generated)

005031239.b3lyp_6-31g(d).gjf (generated)

005031239.b3lyp_6-31g(d).firefly.inp (generated)

005031239.b3lyp_6-31g(d).smash.inp (generated)

005031239.b3lyp_6-31g(d).nwchem.inp (generated) 005031239.b3lyp_6-31g(d).log.xz 005031239.mol 005031239.PUBCHEM 005031239.mol (via Jmol)
005031269.b3lyp_6-31g(d).inp

005031269.b3lyp_6-31g(d).qchem.inp (generated)

005031269.b3lyp_6-31g(d).gjf (generated)

005031269.b3lyp_6-31g(d).firefly.inp (generated)

005031269.b3lyp_6-31g(d).smash.inp (generated)

005031269.b3lyp_6-31g(d).nwchem.inp (generated) 005031269.b3lyp_6-31g(d).log.xz 005031269.td-b3lyp_6-31g+(d).inp 005031269.td-b3lyp_6-31g+(d).log.xz

005031269.td-b3lyp_6-31+g(d).qchem.inp (generated)

005031269.td-b3lyp_6-31+g(d).gjf (generated)

005031269.td-b3lyp_6-31+g(d).firefly.inp (generated)

005031269.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005031269.mol 005031269.PUBCHEM 005031269.mol (via Jmol)
005031412.b3lyp_6-31g(d).inp

005031412.b3lyp_6-31g(d).qchem.inp (generated)

005031412.b3lyp_6-31g(d).gjf (generated)

005031412.b3lyp_6-31g(d).firefly.inp (generated)

005031412.b3lyp_6-31g(d).smash.inp (generated)

005031412.b3lyp_6-31g(d).nwchem.inp (generated) 005031412.b3lyp_6-31g(d).log.xz 005031412.td-b3lyp_6-31g+(d).inp 005031412.td-b3lyp_6-31g+(d).log.xz

005031412.td-b3lyp_6-31+g(d).qchem.inp (generated)

005031412.td-b3lyp_6-31+g(d).gjf (generated)

005031412.td-b3lyp_6-31+g(d).firefly.inp (generated)

005031412.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005031412.mol 005031412.PUBCHEM 005031412.mol (via Jmol)
005031492.b3lyp_6-31g(d).inp

005031492.b3lyp_6-31g(d).qchem.inp (generated)

005031492.b3lyp_6-31g(d).gjf (generated)

005031492.b3lyp_6-31g(d).firefly.inp (generated)

005031492.b3lyp_6-31g(d).smash.inp (generated)

005031492.b3lyp_6-31g(d).nwchem.inp (generated) 005031492.b3lyp_6-31g(d).log.xz 005031492.td-b3lyp_6-31g+(d).inp 005031492.td-b3lyp_6-31g+(d).log.xz

005031492.td-b3lyp_6-31+g(d).qchem.inp (generated)

005031492.td-b3lyp_6-31+g(d).gjf (generated)

005031492.td-b3lyp_6-31+g(d).firefly.inp (generated)

005031492.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005031492.mol 005031492.PUBCHEM 005031492.mol (via Jmol)
005031586.b3lyp_6-31g(d).inp

005031586.b3lyp_6-31g(d).qchem.inp (generated)

005031586.b3lyp_6-31g(d).gjf (generated)

005031586.b3lyp_6-31g(d).firefly.inp (generated)

005031586.b3lyp_6-31g(d).smash.inp (generated)

005031586.b3lyp_6-31g(d).nwchem.inp (generated) 005031586.b3lyp_6-31g(d).log.xz 005031586.td-b3lyp_6-31g+(d).inp 005031586.td-b3lyp_6-31g+(d).log.xz

005031586.td-b3lyp_6-31+g(d).qchem.inp (generated)

005031586.td-b3lyp_6-31+g(d).gjf (generated)

005031586.td-b3lyp_6-31+g(d).firefly.inp (generated)

005031586.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005031586.mol 005031586.PUBCHEM 005031586.mol (via Jmol)
005031665.b3lyp_6-31g(d).inp

005031665.b3lyp_6-31g(d).qchem.inp (generated)

005031665.b3lyp_6-31g(d).gjf (generated)

005031665.b3lyp_6-31g(d).firefly.inp (generated)

005031665.b3lyp_6-31g(d).smash.inp (generated)

005031665.b3lyp_6-31g(d).nwchem.inp (generated) 005031665.b3lyp_6-31g(d).log.xz 005031665.mol 005031665.PUBCHEM 005031665.mol (via Jmol)
005031676.b3lyp_6-31g(d).inp

005031676.b3lyp_6-31g(d).qchem.inp (generated)

005031676.b3lyp_6-31g(d).gjf (generated)

005031676.b3lyp_6-31g(d).firefly.inp (generated)

005031676.b3lyp_6-31g(d).smash.inp (generated)

005031676.b3lyp_6-31g(d).nwchem.inp (generated) 005031676.b3lyp_6-31g(d).log.xz 005031676.mol 005031676.PUBCHEM 005031676.mol (via Jmol)
005031695.b3lyp_6-31g(d).inp

005031695.b3lyp_6-31g(d).qchem.inp (generated)

005031695.b3lyp_6-31g(d).gjf (generated)

005031695.b3lyp_6-31g(d).firefly.inp (generated)

005031695.b3lyp_6-31g(d).smash.inp (generated)

005031695.b3lyp_6-31g(d).nwchem.inp (generated) 005031695.b3lyp_6-31g(d).log.xz 005031695.td-b3lyp_6-31g+(d).inp 005031695.td-b3lyp_6-31g+(d).log.xz

005031695.td-b3lyp_6-31+g(d).qchem.inp (generated)

005031695.td-b3lyp_6-31+g(d).gjf (generated)

005031695.td-b3lyp_6-31+g(d).firefly.inp (generated)

005031695.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005031695.mol 005031695.PUBCHEM 005031695.mol (via Jmol)
005031713.b3lyp_6-31g(d).inp

005031713.b3lyp_6-31g(d).qchem.inp (generated)

005031713.b3lyp_6-31g(d).gjf (generated)

005031713.b3lyp_6-31g(d).firefly.inp (generated)

005031713.b3lyp_6-31g(d).smash.inp (generated)

005031713.b3lyp_6-31g(d).nwchem.inp (generated) 005031713.b3lyp_6-31g(d).log.xz 005031713.td-b3lyp_6-31g+(d).inp 005031713.td-b3lyp_6-31g+(d).log.xz

005031713.td-b3lyp_6-31+g(d).qchem.inp (generated)

005031713.td-b3lyp_6-31+g(d).gjf (generated)

005031713.td-b3lyp_6-31+g(d).firefly.inp (generated)

005031713.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005031713.mol 005031713.PUBCHEM 005031713.mol (via Jmol)
005031748.b3lyp_6-31g(d).inp

005031748.b3lyp_6-31g(d).qchem.inp (generated)

005031748.b3lyp_6-31g(d).gjf (generated)

005031748.b3lyp_6-31g(d).firefly.inp (generated)

005031748.b3lyp_6-31g(d).smash.inp (generated)

005031748.b3lyp_6-31g(d).nwchem.inp (generated) 005031748.b3lyp_6-31g(d).log.xz 005031748.mol 005031748.PUBCHEM 005031748.mol (via Jmol)
005031941.b3lyp_6-31g(d).inp

005031941.b3lyp_6-31g(d).qchem.inp (generated)

005031941.b3lyp_6-31g(d).gjf (generated)

005031941.b3lyp_6-31g(d).firefly.inp (generated)

005031941.b3lyp_6-31g(d).smash.inp (generated)

005031941.b3lyp_6-31g(d).nwchem.inp (generated) 005031941.b3lyp_6-31g(d).log.xz 005031941.td-b3lyp_6-31g+(d).inp 005031941.td-b3lyp_6-31g+(d).log.xz

005031941.td-b3lyp_6-31+g(d).qchem.inp (generated)

005031941.td-b3lyp_6-31+g(d).gjf (generated)

005031941.td-b3lyp_6-31+g(d).firefly.inp (generated)

005031941.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005031941.mol 005031941.PUBCHEM 005031941.mol (via Jmol)
005032001.b3lyp_6-31g(d).inp

005032001.b3lyp_6-31g(d).qchem.inp (generated)

005032001.b3lyp_6-31g(d).gjf (generated)

005032001.b3lyp_6-31g(d).firefly.inp (generated)

005032001.b3lyp_6-31g(d).smash.inp (generated)

005032001.b3lyp_6-31g(d).nwchem.inp (generated) 005032001.b3lyp_6-31g(d).log.xz 005032001.td-b3lyp_6-31g+(d).inp 005032001.td-b3lyp_6-31g+(d).log.xz

005032001.td-b3lyp_6-31+g(d).qchem.inp (generated)

005032001.td-b3lyp_6-31+g(d).gjf (generated)

005032001.td-b3lyp_6-31+g(d).firefly.inp (generated)

005032001.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005032001.mol 005032001.PUBCHEM 005032001.mol (via Jmol)
005032107.b3lyp_6-31g(d).inp

005032107.b3lyp_6-31g(d).qchem.inp (generated)

005032107.b3lyp_6-31g(d).gjf (generated)

005032107.b3lyp_6-31g(d).firefly.inp (generated)

005032107.b3lyp_6-31g(d).smash.inp (generated)

005032107.b3lyp_6-31g(d).nwchem.inp (generated) 005032107.b3lyp_6-31g(d).log.xz 005032107.td-b3lyp_6-31g+(d).inp 005032107.td-b3lyp_6-31g+(d).log.xz

005032107.td-b3lyp_6-31+g(d).qchem.inp (generated)

005032107.td-b3lyp_6-31+g(d).gjf (generated)

005032107.td-b3lyp_6-31+g(d).firefly.inp (generated)

005032107.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005032107.mol 005032107.PUBCHEM 005032107.mol (via Jmol)
005032108.b3lyp_6-31g(d).inp

005032108.b3lyp_6-31g(d).qchem.inp (generated)

005032108.b3lyp_6-31g(d).gjf (generated)

005032108.b3lyp_6-31g(d).firefly.inp (generated)

005032108.b3lyp_6-31g(d).smash.inp (generated)

005032108.b3lyp_6-31g(d).nwchem.inp (generated) 005032108.b3lyp_6-31g(d).log.xz 005032108.td-b3lyp_6-31g+(d).inp 005032108.td-b3lyp_6-31g+(d).log.xz

005032108.td-b3lyp_6-31+g(d).qchem.inp (generated)

005032108.td-b3lyp_6-31+g(d).gjf (generated)

005032108.td-b3lyp_6-31+g(d).firefly.inp (generated)

005032108.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005032108.mol 005032108.PUBCHEM 005032108.mol (via Jmol)
005032118.b3lyp_6-31g(d).inp

005032118.b3lyp_6-31g(d).qchem.inp (generated)

005032118.b3lyp_6-31g(d).gjf (generated)

005032118.b3lyp_6-31g(d).firefly.inp (generated)

005032118.b3lyp_6-31g(d).smash.inp (generated)

005032118.b3lyp_6-31g(d).nwchem.inp (generated) 005032118.b3lyp_6-31g(d).log.xz 005032118.td-b3lyp_6-31g+(d).inp 005032118.td-b3lyp_6-31g+(d).log.xz

005032118.td-b3lyp_6-31+g(d).qchem.inp (generated)

005032118.td-b3lyp_6-31+g(d).gjf (generated)

005032118.td-b3lyp_6-31+g(d).firefly.inp (generated)

005032118.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005032118.mol 005032118.PUBCHEM 005032118.mol (via Jmol)
005032190.b3lyp_6-31g(d).inp

005032190.b3lyp_6-31g(d).qchem.inp (generated)

005032190.b3lyp_6-31g(d).gjf (generated)

005032190.b3lyp_6-31g(d).firefly.inp (generated)

005032190.b3lyp_6-31g(d).smash.inp (generated)

005032190.b3lyp_6-31g(d).nwchem.inp (generated) 005032190.b3lyp_6-31g(d).log.xz 005032190.td-b3lyp_6-31g+(d).inp 005032190.td-b3lyp_6-31g+(d).log.xz

005032190.td-b3lyp_6-31+g(d).qchem.inp (generated)

005032190.td-b3lyp_6-31+g(d).gjf (generated)

005032190.td-b3lyp_6-31+g(d).firefly.inp (generated)

005032190.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005032190.mol 005032190.PUBCHEM 005032190.mol (via Jmol)
005032351.b3lyp_6-31g(d).inp

005032351.b3lyp_6-31g(d).qchem.inp (generated)

005032351.b3lyp_6-31g(d).gjf (generated)

005032351.b3lyp_6-31g(d).firefly.inp (generated)

005032351.b3lyp_6-31g(d).smash.inp (generated)

005032351.b3lyp_6-31g(d).nwchem.inp (generated) 005032351.b3lyp_6-31g(d).log.xz 005032351.td-b3lyp_6-31g+(d).inp 005032351.td-b3lyp_6-31g+(d).log.xz

005032351.td-b3lyp_6-31+g(d).qchem.inp (generated)

005032351.td-b3lyp_6-31+g(d).gjf (generated)

005032351.td-b3lyp_6-31+g(d).firefly.inp (generated)

005032351.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005032351.mol 005032351.PUBCHEM 005032351.mol (via Jmol)
005032421.b3lyp_6-31g(d).inp

005032421.b3lyp_6-31g(d).qchem.inp (generated)

005032421.b3lyp_6-31g(d).gjf (generated)

005032421.b3lyp_6-31g(d).firefly.inp (generated)

005032421.b3lyp_6-31g(d).smash.inp (generated)

005032421.b3lyp_6-31g(d).nwchem.inp (generated) 005032421.b3lyp_6-31g(d).log.xz 005032421.td-b3lyp_6-31g+(d).inp 005032421.td-b3lyp_6-31g+(d).log.xz

005032421.td-b3lyp_6-31+g(d).qchem.inp (generated)

005032421.td-b3lyp_6-31+g(d).gjf (generated)

005032421.td-b3lyp_6-31+g(d).firefly.inp (generated)

005032421.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005032421.mol 005032421.PUBCHEM 005032421.mol (via Jmol)
005032486.b3lyp_6-31g(d).inp

005032486.b3lyp_6-31g(d).qchem.inp (generated)

005032486.b3lyp_6-31g(d).gjf (generated)

005032486.b3lyp_6-31g(d).firefly.inp (generated)

005032486.b3lyp_6-31g(d).smash.inp (generated)

005032486.b3lyp_6-31g(d).nwchem.inp (generated) 005032486.b3lyp_6-31g(d).log.xz 005032486.td-b3lyp_6-31g+(d).inp 005032486.td-b3lyp_6-31g+(d).log.xz

005032486.td-b3lyp_6-31+g(d).qchem.inp (generated)

005032486.td-b3lyp_6-31+g(d).gjf (generated)

005032486.td-b3lyp_6-31+g(d).firefly.inp (generated)

005032486.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005032486.mol 005032486.PUBCHEM 005032486.mol (via Jmol)
005032547.b3lyp_6-31g(d).inp

005032547.b3lyp_6-31g(d).qchem.inp (generated)

005032547.b3lyp_6-31g(d).gjf (generated)

005032547.b3lyp_6-31g(d).firefly.inp (generated)

005032547.b3lyp_6-31g(d).smash.inp (generated)

005032547.b3lyp_6-31g(d).nwchem.inp (generated) 005032547.b3lyp_6-31g(d).log.xz 005032547.td-b3lyp_6-31g+(d).inp 005032547.td-b3lyp_6-31g+(d).log.xz

005032547.td-b3lyp_6-31+g(d).qchem.inp (generated)

005032547.td-b3lyp_6-31+g(d).gjf (generated)

005032547.td-b3lyp_6-31+g(d).firefly.inp (generated)

005032547.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005032547.mol 005032547.PUBCHEM 005032547.mol (via Jmol)
005032728.b3lyp_6-31g(d).inp

005032728.b3lyp_6-31g(d).qchem.inp (generated)

005032728.b3lyp_6-31g(d).gjf (generated)

005032728.b3lyp_6-31g(d).firefly.inp (generated)

005032728.b3lyp_6-31g(d).smash.inp (generated)

005032728.b3lyp_6-31g(d).nwchem.inp (generated) 005032728.b3lyp_6-31g(d).log.xz 005032728.td-b3lyp_6-31g+(d).inp 005032728.td-b3lyp_6-31g+(d).log.xz

005032728.td-b3lyp_6-31+g(d).qchem.inp (generated)

005032728.td-b3lyp_6-31+g(d).gjf (generated)

005032728.td-b3lyp_6-31+g(d).firefly.inp (generated)

005032728.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005032728.mol 005032728.PUBCHEM 005032728.mol (via Jmol)
005032746.b3lyp_6-31g(d).inp

005032746.b3lyp_6-31g(d).qchem.inp (generated)

005032746.b3lyp_6-31g(d).gjf (generated)

005032746.b3lyp_6-31g(d).firefly.inp (generated)

005032746.b3lyp_6-31g(d).smash.inp (generated)

005032746.b3lyp_6-31g(d).nwchem.inp (generated) 005032746.b3lyp_6-31g(d).log.xz 005032746.td-b3lyp_6-31g+(d).inp 005032746.td-b3lyp_6-31g+(d).log.xz

005032746.td-b3lyp_6-31+g(d).qchem.inp (generated)

005032746.td-b3lyp_6-31+g(d).gjf (generated)

005032746.td-b3lyp_6-31+g(d).firefly.inp (generated)

005032746.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005032746.mol 005032746.PUBCHEM 005032746.mol (via Jmol)
005032747.b3lyp_6-31g(d).inp

005032747.b3lyp_6-31g(d).qchem.inp (generated)

005032747.b3lyp_6-31g(d).gjf (generated)

005032747.b3lyp_6-31g(d).firefly.inp (generated)

005032747.b3lyp_6-31g(d).smash.inp (generated)

005032747.b3lyp_6-31g(d).nwchem.inp (generated) 005032747.b3lyp_6-31g(d).log.xz 005032747.td-b3lyp_6-31g+(d).inp 005032747.td-b3lyp_6-31g+(d).log.xz

005032747.td-b3lyp_6-31+g(d).qchem.inp (generated)

005032747.td-b3lyp_6-31+g(d).gjf (generated)

005032747.td-b3lyp_6-31+g(d).firefly.inp (generated)

005032747.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005032747.mol 005032747.PUBCHEM 005032747.mol (via Jmol)
005032840.b3lyp_6-31g(d).inp

005032840.b3lyp_6-31g(d).qchem.inp (generated)

005032840.b3lyp_6-31g(d).gjf (generated)

005032840.b3lyp_6-31g(d).firefly.inp (generated)

005032840.b3lyp_6-31g(d).smash.inp (generated)

005032840.b3lyp_6-31g(d).nwchem.inp (generated) 005032840.b3lyp_6-31g(d).log.xz 005032840.td-b3lyp_6-31g+(d).inp 005032840.td-b3lyp_6-31g+(d).log.xz

005032840.td-b3lyp_6-31+g(d).qchem.inp (generated)

005032840.td-b3lyp_6-31+g(d).gjf (generated)

005032840.td-b3lyp_6-31+g(d).firefly.inp (generated)

005032840.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005032840.mol 005032840.PUBCHEM 005032840.mol (via Jmol)
005032929.b3lyp_6-31g(d).inp

005032929.b3lyp_6-31g(d).qchem.inp (generated)

005032929.b3lyp_6-31g(d).gjf (generated)

005032929.b3lyp_6-31g(d).firefly.inp (generated)

005032929.b3lyp_6-31g(d).smash.inp (generated)

005032929.b3lyp_6-31g(d).nwchem.inp (generated) 005032929.b3lyp_6-31g(d).log.xz 005032929.mol 005032929.PUBCHEM 005032929.mol (via Jmol)
005033128.b3lyp_6-31g(d).inp

005033128.b3lyp_6-31g(d).qchem.inp (generated)

005033128.b3lyp_6-31g(d).gjf (generated)

005033128.b3lyp_6-31g(d).firefly.inp (generated)

005033128.b3lyp_6-31g(d).smash.inp (generated)

005033128.b3lyp_6-31g(d).nwchem.inp (generated) 005033128.b3lyp_6-31g(d).log.xz 005033128.td-b3lyp_6-31g+(d).inp 005033128.td-b3lyp_6-31g+(d).log.xz

005033128.td-b3lyp_6-31+g(d).qchem.inp (generated)

005033128.td-b3lyp_6-31+g(d).gjf (generated)

005033128.td-b3lyp_6-31+g(d).firefly.inp (generated)

005033128.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005033128.mol 005033128.PUBCHEM 005033128.mol (via Jmol)
005033211.b3lyp_6-31g(d).inp

005033211.b3lyp_6-31g(d).qchem.inp (generated)

005033211.b3lyp_6-31g(d).gjf (generated)

005033211.b3lyp_6-31g(d).firefly.inp (generated)

005033211.b3lyp_6-31g(d).smash.inp (generated)

005033211.b3lyp_6-31g(d).nwchem.inp (generated) 005033211.b3lyp_6-31g(d).log.xz 005033211.td-b3lyp_6-31g+(d).inp 005033211.td-b3lyp_6-31g+(d).log.xz

005033211.td-b3lyp_6-31+g(d).qchem.inp (generated)

005033211.td-b3lyp_6-31+g(d).gjf (generated)

005033211.td-b3lyp_6-31+g(d).firefly.inp (generated)

005033211.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005033211.mol 005033211.PUBCHEM 005033211.mol (via Jmol)
005033217.b3lyp_6-31g(d).inp

005033217.b3lyp_6-31g(d).qchem.inp (generated)

005033217.b3lyp_6-31g(d).gjf (generated)

005033217.b3lyp_6-31g(d).firefly.inp (generated)

005033217.b3lyp_6-31g(d).smash.inp (generated)

005033217.b3lyp_6-31g(d).nwchem.inp (generated) 005033217.b3lyp_6-31g(d).log.xz 005033217.td-b3lyp_6-31g+(d).inp 005033217.td-b3lyp_6-31g+(d).log.xz

005033217.td-b3lyp_6-31+g(d).qchem.inp (generated)

005033217.td-b3lyp_6-31+g(d).gjf (generated)

005033217.td-b3lyp_6-31+g(d).firefly.inp (generated)

005033217.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005033217.mol 005033217.PUBCHEM 005033217.mol (via Jmol)
005033233.b3lyp_6-31g(d).inp

005033233.b3lyp_6-31g(d).qchem.inp (generated)

005033233.b3lyp_6-31g(d).gjf (generated)

005033233.b3lyp_6-31g(d).firefly.inp (generated)

005033233.b3lyp_6-31g(d).smash.inp (generated)

005033233.b3lyp_6-31g(d).nwchem.inp (generated) 005033233.b3lyp_6-31g(d).log.xz 005033233.td-b3lyp_6-31g+(d).inp 005033233.td-b3lyp_6-31g+(d).log.xz

005033233.td-b3lyp_6-31+g(d).qchem.inp (generated)

005033233.td-b3lyp_6-31+g(d).gjf (generated)

005033233.td-b3lyp_6-31+g(d).firefly.inp (generated)

005033233.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005033233.mol 005033233.PUBCHEM 005033233.mol (via Jmol)
005033237.b3lyp_6-31g(d).inp

005033237.b3lyp_6-31g(d).qchem.inp (generated)

005033237.b3lyp_6-31g(d).gjf (generated)

005033237.b3lyp_6-31g(d).firefly.inp (generated)

005033237.b3lyp_6-31g(d).smash.inp (generated)

005033237.b3lyp_6-31g(d).nwchem.inp (generated) 005033237.b3lyp_6-31g(d).log.xz 005033237.td-b3lyp_6-31g+(d).inp 005033237.td-b3lyp_6-31g+(d).log.xz

005033237.td-b3lyp_6-31+g(d).qchem.inp (generated)

005033237.td-b3lyp_6-31+g(d).gjf (generated)

005033237.td-b3lyp_6-31+g(d).firefly.inp (generated)

005033237.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005033237.mol 005033237.PUBCHEM 005033237.mol (via Jmol)
005033418.b3lyp_6-31g(d).inp

005033418.b3lyp_6-31g(d).qchem.inp (generated)

005033418.b3lyp_6-31g(d).gjf (generated)

005033418.b3lyp_6-31g(d).firefly.inp (generated)

005033418.b3lyp_6-31g(d).smash.inp (generated)

005033418.b3lyp_6-31g(d).nwchem.inp (generated) 005033418.b3lyp_6-31g(d).log.xz 005033418.td-b3lyp_6-31g+(d).inp 005033418.td-b3lyp_6-31g+(d).log.xz

005033418.td-b3lyp_6-31+g(d).qchem.inp (generated)

005033418.td-b3lyp_6-31+g(d).gjf (generated)

005033418.td-b3lyp_6-31+g(d).firefly.inp (generated)

005033418.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005033418.mol 005033418.PUBCHEM 005033418.mol (via Jmol)
005033452.b3lyp_6-31g(d).inp

005033452.b3lyp_6-31g(d).qchem.inp (generated)

005033452.b3lyp_6-31g(d).gjf (generated)

005033452.b3lyp_6-31g(d).firefly.inp (generated)

005033452.b3lyp_6-31g(d).smash.inp (generated)

005033452.b3lyp_6-31g(d).nwchem.inp (generated) 005033452.b3lyp_6-31g(d).log.xz 005033452.td-b3lyp_6-31g+(d).inp 005033452.td-b3lyp_6-31g+(d).log.xz

005033452.td-b3lyp_6-31+g(d).qchem.inp (generated)

005033452.td-b3lyp_6-31+g(d).gjf (generated)

005033452.td-b3lyp_6-31+g(d).firefly.inp (generated)

005033452.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005033452.mol 005033452.PUBCHEM 005033452.mol (via Jmol)
005033457.b3lyp_6-31g(d).inp

005033457.b3lyp_6-31g(d).qchem.inp (generated)

005033457.b3lyp_6-31g(d).gjf (generated)

005033457.b3lyp_6-31g(d).firefly.inp (generated)

005033457.b3lyp_6-31g(d).smash.inp (generated)

005033457.b3lyp_6-31g(d).nwchem.inp (generated) 005033457.b3lyp_6-31g(d).log.xz 005033457.td-b3lyp_6-31g+(d).inp 005033457.td-b3lyp_6-31g+(d).log.xz

005033457.td-b3lyp_6-31+g(d).qchem.inp (generated)

005033457.td-b3lyp_6-31+g(d).gjf (generated)

005033457.td-b3lyp_6-31+g(d).firefly.inp (generated)

005033457.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005033457.mol 005033457.PUBCHEM 005033457.mol (via Jmol)
005033507.b3lyp_6-31g(d).inp

005033507.b3lyp_6-31g(d).qchem.inp (generated)

005033507.b3lyp_6-31g(d).gjf (generated)

005033507.b3lyp_6-31g(d).firefly.inp (generated)

005033507.b3lyp_6-31g(d).smash.inp (generated)

005033507.b3lyp_6-31g(d).nwchem.inp (generated) 005033507.b3lyp_6-31g(d).log.xz 005033507.mol 005033507.PUBCHEM 005033507.mol (via Jmol)
005033510.b3lyp_6-31g(d).inp

005033510.b3lyp_6-31g(d).qchem.inp (generated)

005033510.b3lyp_6-31g(d).gjf (generated)

005033510.b3lyp_6-31g(d).firefly.inp (generated)

005033510.b3lyp_6-31g(d).smash.inp (generated)

005033510.b3lyp_6-31g(d).nwchem.inp (generated) 005033510.b3lyp_6-31g(d).log.xz 005033510.td-b3lyp_6-31g+(d).inp 005033510.td-b3lyp_6-31g+(d).log.xz

005033510.td-b3lyp_6-31+g(d).qchem.inp (generated)

005033510.td-b3lyp_6-31+g(d).gjf (generated)

005033510.td-b3lyp_6-31+g(d).firefly.inp (generated)

005033510.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005033510.mol 005033510.PUBCHEM 005033510.mol (via Jmol)
005033514.b3lyp_6-31g(d).inp

005033514.b3lyp_6-31g(d).qchem.inp (generated)

005033514.b3lyp_6-31g(d).gjf (generated)

005033514.b3lyp_6-31g(d).firefly.inp (generated)

005033514.b3lyp_6-31g(d).smash.inp (generated)

005033514.b3lyp_6-31g(d).nwchem.inp (generated) 005033514.b3lyp_6-31g(d).log.xz 005033514.mol 005033514.PUBCHEM 005033514.mol (via Jmol)
005033515.b3lyp_6-31g(d).inp

005033515.b3lyp_6-31g(d).qchem.inp (generated)

005033515.b3lyp_6-31g(d).gjf (generated)

005033515.b3lyp_6-31g(d).firefly.inp (generated)

005033515.b3lyp_6-31g(d).smash.inp (generated)

005033515.b3lyp_6-31g(d).nwchem.inp (generated) 005033515.b3lyp_6-31g(d).log.xz 005033515.td-b3lyp_6-31g+(d).inp 005033515.td-b3lyp_6-31g+(d).log.xz

005033515.td-b3lyp_6-31+g(d).qchem.inp (generated)

005033515.td-b3lyp_6-31+g(d).gjf (generated)

005033515.td-b3lyp_6-31+g(d).firefly.inp (generated)

005033515.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005033515.mol 005033515.PUBCHEM 005033515.mol (via Jmol)
005033687.b3lyp_6-31g(d).inp

005033687.b3lyp_6-31g(d).qchem.inp (generated)

005033687.b3lyp_6-31g(d).gjf (generated)

005033687.b3lyp_6-31g(d).firefly.inp (generated)

005033687.b3lyp_6-31g(d).smash.inp (generated)

005033687.b3lyp_6-31g(d).nwchem.inp (generated) 005033687.b3lyp_6-31g(d).log.xz 005033687.td-b3lyp_6-31g+(d).inp 005033687.td-b3lyp_6-31g+(d).log.xz

005033687.td-b3lyp_6-31+g(d).qchem.inp (generated)

005033687.td-b3lyp_6-31+g(d).gjf (generated)

005033687.td-b3lyp_6-31+g(d).firefly.inp (generated)

005033687.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005033687.mol 005033687.PUBCHEM 005033687.mol (via Jmol)
005033702.b3lyp_6-31g(d).inp

005033702.b3lyp_6-31g(d).qchem.inp (generated)

005033702.b3lyp_6-31g(d).gjf (generated)

005033702.b3lyp_6-31g(d).firefly.inp (generated)

005033702.b3lyp_6-31g(d).smash.inp (generated)

005033702.b3lyp_6-31g(d).nwchem.inp (generated) 005033702.b3lyp_6-31g(d).log.xz 005033702.td-b3lyp_6-31g+(d).inp 005033702.td-b3lyp_6-31g+(d).log.xz

005033702.td-b3lyp_6-31+g(d).qchem.inp (generated)

005033702.td-b3lyp_6-31+g(d).gjf (generated)

005033702.td-b3lyp_6-31+g(d).firefly.inp (generated)

005033702.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005033702.mol 005033702.PUBCHEM 005033702.mol (via Jmol)
005033851.b3lyp_6-31g(d).inp

005033851.b3lyp_6-31g(d).qchem.inp (generated)

005033851.b3lyp_6-31g(d).gjf (generated)

005033851.b3lyp_6-31g(d).firefly.inp (generated)

005033851.b3lyp_6-31g(d).smash.inp (generated)

005033851.b3lyp_6-31g(d).nwchem.inp (generated) 005033851.b3lyp_6-31g(d).log.xz 005033851.td-b3lyp_6-31g+(d).inp 005033851.td-b3lyp_6-31g+(d).log.xz

005033851.td-b3lyp_6-31+g(d).qchem.inp (generated)

005033851.td-b3lyp_6-31+g(d).gjf (generated)

005033851.td-b3lyp_6-31+g(d).firefly.inp (generated)

005033851.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005033851.mol 005033851.PUBCHEM 005033851.mol (via Jmol)
005033959.b3lyp_6-31g(d).inp

005033959.b3lyp_6-31g(d).qchem.inp (generated)

005033959.b3lyp_6-31g(d).gjf (generated)

005033959.b3lyp_6-31g(d).firefly.inp (generated)

005033959.b3lyp_6-31g(d).smash.inp (generated)

005033959.b3lyp_6-31g(d).nwchem.inp (generated) 005033959.b3lyp_6-31g(d).log.xz 005033959.td-b3lyp_6-31g+(d).inp 005033959.td-b3lyp_6-31g+(d).log.xz

005033959.td-b3lyp_6-31+g(d).qchem.inp (generated)

005033959.td-b3lyp_6-31+g(d).gjf (generated)

005033959.td-b3lyp_6-31+g(d).firefly.inp (generated)

005033959.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005033959.mol 005033959.PUBCHEM 005033959.mol (via Jmol)
005033967.b3lyp_6-31g(d).inp

005033967.b3lyp_6-31g(d).qchem.inp (generated)

005033967.b3lyp_6-31g(d).gjf (generated)

005033967.b3lyp_6-31g(d).firefly.inp (generated)

005033967.b3lyp_6-31g(d).smash.inp (generated)

005033967.b3lyp_6-31g(d).nwchem.inp (generated) 005033967.b3lyp_6-31g(d).log.xz 005033967.td-b3lyp_6-31g+(d).inp 005033967.td-b3lyp_6-31g+(d).log.xz

005033967.td-b3lyp_6-31+g(d).qchem.inp (generated)

005033967.td-b3lyp_6-31+g(d).gjf (generated)

005033967.td-b3lyp_6-31+g(d).firefly.inp (generated)

005033967.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005033967.mol 005033967.PUBCHEM 005033967.mol (via Jmol)
005034028.b3lyp_6-31g(d).inp

005034028.b3lyp_6-31g(d).qchem.inp (generated)

005034028.b3lyp_6-31g(d).gjf (generated)

005034028.b3lyp_6-31g(d).firefly.inp (generated)

005034028.b3lyp_6-31g(d).smash.inp (generated)

005034028.b3lyp_6-31g(d).nwchem.inp (generated) 005034028.b3lyp_6-31g(d).log.xz 005034028.mol 005034028.PUBCHEM 005034028.mol (via Jmol)
005034134.b3lyp_6-31g(d).inp

005034134.b3lyp_6-31g(d).qchem.inp (generated)

005034134.b3lyp_6-31g(d).gjf (generated)

005034134.b3lyp_6-31g(d).firefly.inp (generated)

005034134.b3lyp_6-31g(d).smash.inp (generated)

005034134.b3lyp_6-31g(d).nwchem.inp (generated) 005034134.b3lyp_6-31g(d).log.xz 005034134.td-b3lyp_6-31g+(d).inp 005034134.td-b3lyp_6-31g+(d).log.xz

005034134.td-b3lyp_6-31+g(d).qchem.inp (generated)

005034134.td-b3lyp_6-31+g(d).gjf (generated)

005034134.td-b3lyp_6-31+g(d).firefly.inp (generated)

005034134.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005034134.mol 005034134.PUBCHEM 005034134.mol (via Jmol)
005034135.b3lyp_6-31g(d).inp

005034135.b3lyp_6-31g(d).qchem.inp (generated)

005034135.b3lyp_6-31g(d).gjf (generated)

005034135.b3lyp_6-31g(d).firefly.inp (generated)

005034135.b3lyp_6-31g(d).smash.inp (generated)

005034135.b3lyp_6-31g(d).nwchem.inp (generated) 005034135.b3lyp_6-31g(d).log.xz 005034135.mol 005034135.PUBCHEM 005034135.mol (via Jmol)
005034168.b3lyp_6-31g(d).inp

005034168.b3lyp_6-31g(d).qchem.inp (generated)

005034168.b3lyp_6-31g(d).gjf (generated)

005034168.b3lyp_6-31g(d).firefly.inp (generated)

005034168.b3lyp_6-31g(d).smash.inp (generated)

005034168.b3lyp_6-31g(d).nwchem.inp (generated) 005034168.b3lyp_6-31g(d).log.xz 005034168.td-b3lyp_6-31g+(d).inp 005034168.td-b3lyp_6-31g+(d).log.xz

005034168.td-b3lyp_6-31+g(d).qchem.inp (generated)

005034168.td-b3lyp_6-31+g(d).gjf (generated)

005034168.td-b3lyp_6-31+g(d).firefly.inp (generated)

005034168.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005034168.mol 005034168.PUBCHEM 005034168.mol (via Jmol)
005034169.b3lyp_6-31g(d).inp

005034169.b3lyp_6-31g(d).qchem.inp (generated)

005034169.b3lyp_6-31g(d).gjf (generated)

005034169.b3lyp_6-31g(d).firefly.inp (generated)

005034169.b3lyp_6-31g(d).smash.inp (generated)

005034169.b3lyp_6-31g(d).nwchem.inp (generated) 005034169.b3lyp_6-31g(d).log.xz 005034169.td-b3lyp_6-31g+(d).inp 005034169.td-b3lyp_6-31g+(d).log.xz

005034169.td-b3lyp_6-31+g(d).qchem.inp (generated)

005034169.td-b3lyp_6-31+g(d).gjf (generated)

005034169.td-b3lyp_6-31+g(d).firefly.inp (generated)

005034169.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005034169.mol 005034169.PUBCHEM 005034169.mol (via Jmol)
005034601.b3lyp_6-31g(d).inp

005034601.b3lyp_6-31g(d).qchem.inp (generated)

005034601.b3lyp_6-31g(d).gjf (generated)

005034601.b3lyp_6-31g(d).firefly.inp (generated)

005034601.b3lyp_6-31g(d).smash.inp (generated)

005034601.b3lyp_6-31g(d).nwchem.inp (generated) 005034601.b3lyp_6-31g(d).log.xz 005034601.td-b3lyp_6-31g+(d).inp 005034601.td-b3lyp_6-31g+(d).log.xz

005034601.td-b3lyp_6-31+g(d).qchem.inp (generated)

005034601.td-b3lyp_6-31+g(d).gjf (generated)

005034601.td-b3lyp_6-31+g(d).firefly.inp (generated)

005034601.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005034601.mol 005034601.PUBCHEM 005034601.mol (via Jmol)
005034606.b3lyp_6-31g(d).inp

005034606.b3lyp_6-31g(d).qchem.inp (generated)

005034606.b3lyp_6-31g(d).gjf (generated)

005034606.b3lyp_6-31g(d).firefly.inp (generated)

005034606.b3lyp_6-31g(d).smash.inp (generated)

005034606.b3lyp_6-31g(d).nwchem.inp (generated) 005034606.b3lyp_6-31g(d).log.xz 005034606.td-b3lyp_6-31g+(d).inp 005034606.td-b3lyp_6-31g+(d).log.xz

005034606.td-b3lyp_6-31+g(d).qchem.inp (generated)

005034606.td-b3lyp_6-31+g(d).gjf (generated)

005034606.td-b3lyp_6-31+g(d).firefly.inp (generated)

005034606.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005034606.mol 005034606.PUBCHEM 005034606.mol (via Jmol)
005034669.b3lyp_6-31g(d).inp

005034669.b3lyp_6-31g(d).qchem.inp (generated)

005034669.b3lyp_6-31g(d).gjf (generated)

005034669.b3lyp_6-31g(d).firefly.inp (generated)

005034669.b3lyp_6-31g(d).smash.inp (generated)

005034669.b3lyp_6-31g(d).nwchem.inp (generated) 005034669.b3lyp_6-31g(d).log.xz 005034669.td-b3lyp_6-31g+(d).inp 005034669.td-b3lyp_6-31g+(d).log.xz

005034669.td-b3lyp_6-31+g(d).qchem.inp (generated)

005034669.td-b3lyp_6-31+g(d).gjf (generated)

005034669.td-b3lyp_6-31+g(d).firefly.inp (generated)

005034669.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005034669.mol 005034669.PUBCHEM 005034669.mol (via Jmol)
005034809.b3lyp_6-31g(d).inp

005034809.b3lyp_6-31g(d).qchem.inp (generated)

005034809.b3lyp_6-31g(d).gjf (generated)

005034809.b3lyp_6-31g(d).firefly.inp (generated)

005034809.b3lyp_6-31g(d).smash.inp (generated)

005034809.b3lyp_6-31g(d).nwchem.inp (generated) 005034809.b3lyp_6-31g(d).log.xz 005034809.td-b3lyp_6-31g+(d).inp 005034809.td-b3lyp_6-31g+(d).log.xz

005034809.td-b3lyp_6-31+g(d).qchem.inp (generated)

005034809.td-b3lyp_6-31+g(d).gjf (generated)

005034809.td-b3lyp_6-31+g(d).firefly.inp (generated)

005034809.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005034809.mol 005034809.PUBCHEM 005034809.mol (via Jmol)
005034847.b3lyp_6-31g(d).inp

005034847.b3lyp_6-31g(d).qchem.inp (generated)

005034847.b3lyp_6-31g(d).gjf (generated)

005034847.b3lyp_6-31g(d).firefly.inp (generated)

005034847.b3lyp_6-31g(d).smash.inp (generated)

005034847.b3lyp_6-31g(d).nwchem.inp (generated) 005034847.b3lyp_6-31g(d).log.xz 005034847.td-b3lyp_6-31g+(d).inp 005034847.td-b3lyp_6-31g+(d).log.xz

005034847.td-b3lyp_6-31+g(d).qchem.inp (generated)

005034847.td-b3lyp_6-31+g(d).gjf (generated)

005034847.td-b3lyp_6-31+g(d).firefly.inp (generated)

005034847.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005034847.mol 005034847.PUBCHEM 005034847.mol (via Jmol)
005034899.b3lyp_6-31g(d).inp

005034899.b3lyp_6-31g(d).qchem.inp (generated)

005034899.b3lyp_6-31g(d).gjf (generated)

005034899.b3lyp_6-31g(d).firefly.inp (generated)

005034899.b3lyp_6-31g(d).smash.inp (generated)

005034899.b3lyp_6-31g(d).nwchem.inp (generated) 005034899.b3lyp_6-31g(d).log.xz 005034899.mol 005034899.PUBCHEM 005034899.mol (via Jmol)
005034913.b3lyp_6-31g(d).inp

005034913.b3lyp_6-31g(d).qchem.inp (generated)

005034913.b3lyp_6-31g(d).gjf (generated)

005034913.b3lyp_6-31g(d).firefly.inp (generated)

005034913.b3lyp_6-31g(d).smash.inp (generated)

005034913.b3lyp_6-31g(d).nwchem.inp (generated) 005034913.b3lyp_6-31g(d).log.xz 005034913.td-b3lyp_6-31g+(d).inp 005034913.td-b3lyp_6-31g+(d).log.xz

005034913.td-b3lyp_6-31+g(d).qchem.inp (generated)

005034913.td-b3lyp_6-31+g(d).gjf (generated)

005034913.td-b3lyp_6-31+g(d).firefly.inp (generated)

005034913.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005034913.mol 005034913.PUBCHEM 005034913.mol (via Jmol)
005035135.b3lyp_6-31g(d).inp

005035135.b3lyp_6-31g(d).qchem.inp (generated)

005035135.b3lyp_6-31g(d).gjf (generated)

005035135.b3lyp_6-31g(d).firefly.inp (generated)

005035135.b3lyp_6-31g(d).smash.inp (generated)

005035135.b3lyp_6-31g(d).nwchem.inp (generated) 005035135.b3lyp_6-31g(d).log.xz 005035135.td-b3lyp_6-31g+(d).inp 005035135.td-b3lyp_6-31g+(d).log.xz

005035135.td-b3lyp_6-31+g(d).qchem.inp (generated)

005035135.td-b3lyp_6-31+g(d).gjf (generated)

005035135.td-b3lyp_6-31+g(d).firefly.inp (generated)

005035135.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005035135.mol 005035135.PUBCHEM 005035135.mol (via Jmol)
005035176.b3lyp_6-31g(d).inp

005035176.b3lyp_6-31g(d).qchem.inp (generated)

005035176.b3lyp_6-31g(d).gjf (generated)

005035176.b3lyp_6-31g(d).firefly.inp (generated)

005035176.b3lyp_6-31g(d).smash.inp (generated)

005035176.b3lyp_6-31g(d).nwchem.inp (generated) 005035176.b3lyp_6-31g(d).log.xz 005035176.mol 005035176.PUBCHEM 005035176.mol (via Jmol)
005035180.b3lyp_6-31g(d).inp

005035180.b3lyp_6-31g(d).qchem.inp (generated)

005035180.b3lyp_6-31g(d).gjf (generated)

005035180.b3lyp_6-31g(d).firefly.inp (generated)

005035180.b3lyp_6-31g(d).smash.inp (generated)

005035180.b3lyp_6-31g(d).nwchem.inp (generated) 005035180.b3lyp_6-31g(d).log.xz 005035180.td-b3lyp_6-31g+(d).inp 005035180.td-b3lyp_6-31g+(d).log.xz

005035180.td-b3lyp_6-31+g(d).qchem.inp (generated)

005035180.td-b3lyp_6-31+g(d).gjf (generated)

005035180.td-b3lyp_6-31+g(d).firefly.inp (generated)

005035180.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005035180.mol 005035180.PUBCHEM 005035180.mol (via Jmol)
005035216.b3lyp_6-31g(d).inp

005035216.b3lyp_6-31g(d).qchem.inp (generated)

005035216.b3lyp_6-31g(d).gjf (generated)

005035216.b3lyp_6-31g(d).firefly.inp (generated)

005035216.b3lyp_6-31g(d).smash.inp (generated)

005035216.b3lyp_6-31g(d).nwchem.inp (generated) 005035216.b3lyp_6-31g(d).log.xz 005035216.td-b3lyp_6-31g+(d).inp 005035216.td-b3lyp_6-31g+(d).log.xz

005035216.td-b3lyp_6-31+g(d).qchem.inp (generated)

005035216.td-b3lyp_6-31+g(d).gjf (generated)

005035216.td-b3lyp_6-31+g(d).firefly.inp (generated)

005035216.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005035216.mol 005035216.PUBCHEM 005035216.mol (via Jmol)
005035233.b3lyp_6-31g(d).inp

005035233.b3lyp_6-31g(d).qchem.inp (generated)

005035233.b3lyp_6-31g(d).gjf (generated)

005035233.b3lyp_6-31g(d).firefly.inp (generated)

005035233.b3lyp_6-31g(d).smash.inp (generated)

005035233.b3lyp_6-31g(d).nwchem.inp (generated) 005035233.b3lyp_6-31g(d).log.xz 005035233.td-b3lyp_6-31g+(d).inp 005035233.td-b3lyp_6-31g+(d).log.xz

005035233.td-b3lyp_6-31+g(d).qchem.inp (generated)

005035233.td-b3lyp_6-31+g(d).gjf (generated)

005035233.td-b3lyp_6-31+g(d).firefly.inp (generated)

005035233.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005035233.mol 005035233.PUBCHEM 005035233.mol (via Jmol)
005035277.b3lyp_6-31g(d).inp

005035277.b3lyp_6-31g(d).qchem.inp (generated)

005035277.b3lyp_6-31g(d).gjf (generated)

005035277.b3lyp_6-31g(d).firefly.inp (generated)

005035277.b3lyp_6-31g(d).smash.inp (generated)

005035277.b3lyp_6-31g(d).nwchem.inp (generated) 005035277.b3lyp_6-31g(d).log.xz 005035277.td-b3lyp_6-31g+(d).inp 005035277.td-b3lyp_6-31g+(d).log.xz

005035277.td-b3lyp_6-31+g(d).qchem.inp (generated)

005035277.td-b3lyp_6-31+g(d).gjf (generated)

005035277.td-b3lyp_6-31+g(d).firefly.inp (generated)

005035277.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005035277.mol 005035277.PUBCHEM 005035277.mol (via Jmol)
005035293.b3lyp_6-31g(d).inp

005035293.b3lyp_6-31g(d).qchem.inp (generated)

005035293.b3lyp_6-31g(d).gjf (generated)

005035293.b3lyp_6-31g(d).firefly.inp (generated)

005035293.b3lyp_6-31g(d).smash.inp (generated)

005035293.b3lyp_6-31g(d).nwchem.inp (generated) 005035293.b3lyp_6-31g(d).log.xz 005035293.td-b3lyp_6-31g+(d).inp 005035293.td-b3lyp_6-31g+(d).log.xz

005035293.td-b3lyp_6-31+g(d).qchem.inp (generated)

005035293.td-b3lyp_6-31+g(d).gjf (generated)

005035293.td-b3lyp_6-31+g(d).firefly.inp (generated)

005035293.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005035293.mol 005035293.PUBCHEM 005035293.mol (via Jmol)
005035321.b3lyp_6-31g(d).inp

005035321.b3lyp_6-31g(d).qchem.inp (generated)

005035321.b3lyp_6-31g(d).gjf (generated)

005035321.b3lyp_6-31g(d).firefly.inp (generated)

005035321.b3lyp_6-31g(d).smash.inp (generated)

005035321.b3lyp_6-31g(d).nwchem.inp (generated) 005035321.b3lyp_6-31g(d).log.xz 005035321.td-b3lyp_6-31g+(d).inp 005035321.td-b3lyp_6-31g+(d).log.xz

005035321.td-b3lyp_6-31+g(d).qchem.inp (generated)

005035321.td-b3lyp_6-31+g(d).gjf (generated)

005035321.td-b3lyp_6-31+g(d).firefly.inp (generated)

005035321.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005035321.mol 005035321.PUBCHEM 005035321.mol (via Jmol)
005035429.b3lyp_6-31g(d).inp

005035429.b3lyp_6-31g(d).qchem.inp (generated)

005035429.b3lyp_6-31g(d).gjf (generated)

005035429.b3lyp_6-31g(d).firefly.inp (generated)

005035429.b3lyp_6-31g(d).smash.inp (generated)

005035429.b3lyp_6-31g(d).nwchem.inp (generated) 005035429.b3lyp_6-31g(d).log.xz 005035429.td-b3lyp_6-31g+(d).inp 005035429.td-b3lyp_6-31g+(d).log.xz

005035429.td-b3lyp_6-31+g(d).qchem.inp (generated)

005035429.td-b3lyp_6-31+g(d).gjf (generated)

005035429.td-b3lyp_6-31+g(d).firefly.inp (generated)

005035429.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005035429.mol 005035429.PUBCHEM 005035429.mol (via Jmol)
005035636.b3lyp_6-31g(d).inp

005035636.b3lyp_6-31g(d).qchem.inp (generated)

005035636.b3lyp_6-31g(d).gjf (generated)

005035636.b3lyp_6-31g(d).firefly.inp (generated)

005035636.b3lyp_6-31g(d).smash.inp (generated)

005035636.b3lyp_6-31g(d).nwchem.inp (generated) 005035636.b3lyp_6-31g(d).log.xz 005035636.td-b3lyp_6-31g+(d).inp 005035636.td-b3lyp_6-31g+(d).log.xz

005035636.td-b3lyp_6-31+g(d).qchem.inp (generated)

005035636.td-b3lyp_6-31+g(d).gjf (generated)

005035636.td-b3lyp_6-31+g(d).firefly.inp (generated)

005035636.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005035636.mol 005035636.PUBCHEM 005035636.mol (via Jmol)
005035637.b3lyp_6-31g(d).inp

005035637.b3lyp_6-31g(d).qchem.inp (generated)

005035637.b3lyp_6-31g(d).gjf (generated)

005035637.b3lyp_6-31g(d).firefly.inp (generated)

005035637.b3lyp_6-31g(d).smash.inp (generated)

005035637.b3lyp_6-31g(d).nwchem.inp (generated) 005035637.b3lyp_6-31g(d).log.xz 005035637.td-b3lyp_6-31g+(d).inp 005035637.td-b3lyp_6-31g+(d).log.xz

005035637.td-b3lyp_6-31+g(d).qchem.inp (generated)

005035637.td-b3lyp_6-31+g(d).gjf (generated)

005035637.td-b3lyp_6-31+g(d).firefly.inp (generated)

005035637.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005035637.mol 005035637.PUBCHEM 005035637.mol (via Jmol)
005035705.b3lyp_6-31g(d).inp

005035705.b3lyp_6-31g(d).qchem.inp (generated)

005035705.b3lyp_6-31g(d).gjf (generated)

005035705.b3lyp_6-31g(d).firefly.inp (generated)

005035705.b3lyp_6-31g(d).smash.inp (generated)

005035705.b3lyp_6-31g(d).nwchem.inp (generated) 005035705.b3lyp_6-31g(d).log.xz 005035705.td-b3lyp_6-31g+(d).inp 005035705.td-b3lyp_6-31g+(d).log.xz

005035705.td-b3lyp_6-31+g(d).qchem.inp (generated)

005035705.td-b3lyp_6-31+g(d).gjf (generated)

005035705.td-b3lyp_6-31+g(d).firefly.inp (generated)

005035705.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005035705.mol 005035705.PUBCHEM 005035705.mol (via Jmol)
005035727.b3lyp_6-31g(d).inp

005035727.b3lyp_6-31g(d).qchem.inp (generated)

005035727.b3lyp_6-31g(d).gjf (generated)

005035727.b3lyp_6-31g(d).firefly.inp (generated)

005035727.b3lyp_6-31g(d).smash.inp (generated)

005035727.b3lyp_6-31g(d).nwchem.inp (generated) 005035727.b3lyp_6-31g(d).log.xz 005035727.td-b3lyp_6-31g+(d).inp 005035727.td-b3lyp_6-31g+(d).log.xz

005035727.td-b3lyp_6-31+g(d).qchem.inp (generated)

005035727.td-b3lyp_6-31+g(d).gjf (generated)

005035727.td-b3lyp_6-31+g(d).firefly.inp (generated)

005035727.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005035727.mol 005035727.PUBCHEM 005035727.mol (via Jmol)
005035785.b3lyp_6-31g(d).inp

005035785.b3lyp_6-31g(d).qchem.inp (generated)

005035785.b3lyp_6-31g(d).gjf (generated)

005035785.b3lyp_6-31g(d).firefly.inp (generated)

005035785.b3lyp_6-31g(d).smash.inp (generated)

005035785.b3lyp_6-31g(d).nwchem.inp (generated) 005035785.b3lyp_6-31g(d).log.xz 005035785.td-b3lyp_6-31g+(d).inp 005035785.td-b3lyp_6-31g+(d).log.xz

005035785.td-b3lyp_6-31+g(d).qchem.inp (generated)

005035785.td-b3lyp_6-31+g(d).gjf (generated)

005035785.td-b3lyp_6-31+g(d).firefly.inp (generated)

005035785.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005035785.mol 005035785.PUBCHEM 005035785.mol (via Jmol)
005035858.b3lyp_6-31g(d).inp

005035858.b3lyp_6-31g(d).qchem.inp (generated)

005035858.b3lyp_6-31g(d).gjf (generated)

005035858.b3lyp_6-31g(d).firefly.inp (generated)

005035858.b3lyp_6-31g(d).smash.inp (generated)

005035858.b3lyp_6-31g(d).nwchem.inp (generated) 005035858.b3lyp_6-31g(d).log.xz 005035858.td-b3lyp_6-31g+(d).inp 005035858.td-b3lyp_6-31g+(d).log.xz

005035858.td-b3lyp_6-31+g(d).qchem.inp (generated)

005035858.td-b3lyp_6-31+g(d).gjf (generated)

005035858.td-b3lyp_6-31+g(d).firefly.inp (generated)

005035858.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005035858.mol 005035858.PUBCHEM 005035858.mol (via Jmol)
005035914.b3lyp_6-31g(d).inp

005035914.b3lyp_6-31g(d).qchem.inp (generated)

005035914.b3lyp_6-31g(d).gjf (generated)

005035914.b3lyp_6-31g(d).firefly.inp (generated)

005035914.b3lyp_6-31g(d).smash.inp (generated)

005035914.b3lyp_6-31g(d).nwchem.inp (generated) 005035914.b3lyp_6-31g(d).log.xz 005035914.mol 005035914.PUBCHEM 005035914.mol (via Jmol)
005035915.b3lyp_6-31g(d).inp

005035915.b3lyp_6-31g(d).qchem.inp (generated)

005035915.b3lyp_6-31g(d).gjf (generated)

005035915.b3lyp_6-31g(d).firefly.inp (generated)

005035915.b3lyp_6-31g(d).smash.inp (generated)

005035915.b3lyp_6-31g(d).nwchem.inp (generated) 005035915.b3lyp_6-31g(d).log.xz 005035915.td-b3lyp_6-31g+(d).inp 005035915.td-b3lyp_6-31g+(d).log.xz

005035915.td-b3lyp_6-31+g(d).qchem.inp (generated)

005035915.td-b3lyp_6-31+g(d).gjf (generated)

005035915.td-b3lyp_6-31+g(d).firefly.inp (generated)

005035915.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005035915.mol 005035915.PUBCHEM 005035915.mol (via Jmol)
005035916.b3lyp_6-31g(d).inp

005035916.b3lyp_6-31g(d).qchem.inp (generated)

005035916.b3lyp_6-31g(d).gjf (generated)

005035916.b3lyp_6-31g(d).firefly.inp (generated)

005035916.b3lyp_6-31g(d).smash.inp (generated)

005035916.b3lyp_6-31g(d).nwchem.inp (generated) 005035916.b3lyp_6-31g(d).log.xz 005035916.td-b3lyp_6-31g+(d).inp 005035916.td-b3lyp_6-31g+(d).log.xz

005035916.td-b3lyp_6-31+g(d).qchem.inp (generated)

005035916.td-b3lyp_6-31+g(d).gjf (generated)

005035916.td-b3lyp_6-31+g(d).firefly.inp (generated)

005035916.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005035916.mol 005035916.PUBCHEM 005035916.mol (via Jmol)
005035919.b3lyp_6-31g(d).inp

005035919.b3lyp_6-31g(d).qchem.inp (generated)

005035919.b3lyp_6-31g(d).gjf (generated)

005035919.b3lyp_6-31g(d).firefly.inp (generated)

005035919.b3lyp_6-31g(d).smash.inp (generated)

005035919.b3lyp_6-31g(d).nwchem.inp (generated) 005035919.b3lyp_6-31g(d).log.xz 005035919.td-b3lyp_6-31g+(d).inp 005035919.td-b3lyp_6-31g+(d).log.xz

005035919.td-b3lyp_6-31+g(d).qchem.inp (generated)

005035919.td-b3lyp_6-31+g(d).gjf (generated)

005035919.td-b3lyp_6-31+g(d).firefly.inp (generated)

005035919.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005035919.mol 005035919.PUBCHEM 005035919.mol (via Jmol)
005035958.b3lyp_6-31g(d).inp

005035958.b3lyp_6-31g(d).qchem.inp (generated)

005035958.b3lyp_6-31g(d).gjf (generated)

005035958.b3lyp_6-31g(d).firefly.inp (generated)

005035958.b3lyp_6-31g(d).smash.inp (generated)

005035958.b3lyp_6-31g(d).nwchem.inp (generated) 005035958.b3lyp_6-31g(d).log.xz 005035958.td-b3lyp_6-31g+(d).inp 005035958.td-b3lyp_6-31g+(d).log.xz

005035958.td-b3lyp_6-31+g(d).qchem.inp (generated)

005035958.td-b3lyp_6-31+g(d).gjf (generated)

005035958.td-b3lyp_6-31+g(d).firefly.inp (generated)

005035958.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005035958.mol 005035958.PUBCHEM 005035958.mol (via Jmol)
005035991.b3lyp_6-31g(d).inp

005035991.b3lyp_6-31g(d).qchem.inp (generated)

005035991.b3lyp_6-31g(d).gjf (generated)

005035991.b3lyp_6-31g(d).firefly.inp (generated)

005035991.b3lyp_6-31g(d).smash.inp (generated)

005035991.b3lyp_6-31g(d).nwchem.inp (generated) 005035991.b3lyp_6-31g(d).log.xz 005035991.td-b3lyp_6-31g+(d).inp 005035991.td-b3lyp_6-31g+(d).log.xz

005035991.td-b3lyp_6-31+g(d).qchem.inp (generated)

005035991.td-b3lyp_6-31+g(d).gjf (generated)

005035991.td-b3lyp_6-31+g(d).firefly.inp (generated)

005035991.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005035991.mol 005035991.PUBCHEM 005035991.mol (via Jmol)
005035997.b3lyp_6-31g(d).inp

005035997.b3lyp_6-31g(d).qchem.inp (generated)

005035997.b3lyp_6-31g(d).gjf (generated)

005035997.b3lyp_6-31g(d).firefly.inp (generated)

005035997.b3lyp_6-31g(d).smash.inp (generated)

005035997.b3lyp_6-31g(d).nwchem.inp (generated) 005035997.b3lyp_6-31g(d).log.xz 005035997.td-b3lyp_6-31g+(d).inp 005035997.td-b3lyp_6-31g+(d).log.xz

005035997.td-b3lyp_6-31+g(d).qchem.inp (generated)

005035997.td-b3lyp_6-31+g(d).gjf (generated)

005035997.td-b3lyp_6-31+g(d).firefly.inp (generated)

005035997.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005035997.mol 005035997.PUBCHEM 005035997.mol (via Jmol)
005036107.b3lyp_6-31g(d).inp

005036107.b3lyp_6-31g(d).qchem.inp (generated)

005036107.b3lyp_6-31g(d).gjf (generated)

005036107.b3lyp_6-31g(d).firefly.inp (generated)

005036107.b3lyp_6-31g(d).smash.inp (generated)

005036107.b3lyp_6-31g(d).nwchem.inp (generated) 005036107.b3lyp_6-31g(d).log.xz 005036107.mol 005036107.PUBCHEM 005036107.mol (via Jmol)
005036109.b3lyp_6-31g(d).inp

005036109.b3lyp_6-31g(d).qchem.inp (generated)

005036109.b3lyp_6-31g(d).gjf (generated)

005036109.b3lyp_6-31g(d).firefly.inp (generated)

005036109.b3lyp_6-31g(d).smash.inp (generated)

005036109.b3lyp_6-31g(d).nwchem.inp (generated) 005036109.b3lyp_6-31g(d).log.xz 005036109.td-b3lyp_6-31g+(d).inp 005036109.td-b3lyp_6-31g+(d).log.xz

005036109.td-b3lyp_6-31+g(d).qchem.inp (generated)

005036109.td-b3lyp_6-31+g(d).gjf (generated)

005036109.td-b3lyp_6-31+g(d).firefly.inp (generated)

005036109.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005036109.mol 005036109.PUBCHEM 005036109.mol (via Jmol)
005036120.b3lyp_6-31g(d).inp

005036120.b3lyp_6-31g(d).qchem.inp (generated)

005036120.b3lyp_6-31g(d).gjf (generated)

005036120.b3lyp_6-31g(d).firefly.inp (generated)

005036120.b3lyp_6-31g(d).smash.inp (generated)

005036120.b3lyp_6-31g(d).nwchem.inp (generated) 005036120.b3lyp_6-31g(d).log.xz 005036120.td-b3lyp_6-31g+(d).inp 005036120.td-b3lyp_6-31g+(d).log.xz

005036120.td-b3lyp_6-31+g(d).qchem.inp (generated)

005036120.td-b3lyp_6-31+g(d).gjf (generated)

005036120.td-b3lyp_6-31+g(d).firefly.inp (generated)

005036120.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005036120.mol 005036120.PUBCHEM 005036120.mol (via Jmol)
005036200.b3lyp_6-31g(d).inp

005036200.b3lyp_6-31g(d).qchem.inp (generated)

005036200.b3lyp_6-31g(d).gjf (generated)

005036200.b3lyp_6-31g(d).firefly.inp (generated)

005036200.b3lyp_6-31g(d).smash.inp (generated)

005036200.b3lyp_6-31g(d).nwchem.inp (generated) 005036200.b3lyp_6-31g(d).log.xz 005036200.td-b3lyp_6-31g+(d).inp 005036200.td-b3lyp_6-31g+(d).log.xz

005036200.td-b3lyp_6-31+g(d).qchem.inp (generated)

005036200.td-b3lyp_6-31+g(d).gjf (generated)

005036200.td-b3lyp_6-31+g(d).firefly.inp (generated)

005036200.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005036200.mol 005036200.PUBCHEM 005036200.mol (via Jmol)
005036201.b3lyp_6-31g(d).inp

005036201.b3lyp_6-31g(d).qchem.inp (generated)

005036201.b3lyp_6-31g(d).gjf (generated)

005036201.b3lyp_6-31g(d).firefly.inp (generated)

005036201.b3lyp_6-31g(d).smash.inp (generated)

005036201.b3lyp_6-31g(d).nwchem.inp (generated) 005036201.b3lyp_6-31g(d).log.xz 005036201.td-b3lyp_6-31g+(d).inp 005036201.td-b3lyp_6-31g+(d).log.xz

005036201.td-b3lyp_6-31+g(d).qchem.inp (generated)

005036201.td-b3lyp_6-31+g(d).gjf (generated)

005036201.td-b3lyp_6-31+g(d).firefly.inp (generated)

005036201.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005036201.mol 005036201.PUBCHEM 005036201.mol (via Jmol)
005036432.b3lyp_6-31g(d).inp

005036432.b3lyp_6-31g(d).qchem.inp (generated)

005036432.b3lyp_6-31g(d).gjf (generated)

005036432.b3lyp_6-31g(d).firefly.inp (generated)

005036432.b3lyp_6-31g(d).smash.inp (generated)

005036432.b3lyp_6-31g(d).nwchem.inp (generated) 005036432.b3lyp_6-31g(d).log.xz 005036432.td-b3lyp_6-31g+(d).inp 005036432.td-b3lyp_6-31g+(d).log.xz

005036432.td-b3lyp_6-31+g(d).qchem.inp (generated)

005036432.td-b3lyp_6-31+g(d).gjf (generated)

005036432.td-b3lyp_6-31+g(d).firefly.inp (generated)

005036432.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005036432.mol 005036432.PUBCHEM 005036432.mol (via Jmol)
005036497.b3lyp_6-31g(d).inp

005036497.b3lyp_6-31g(d).qchem.inp (generated)

005036497.b3lyp_6-31g(d).gjf (generated)

005036497.b3lyp_6-31g(d).firefly.inp (generated)

005036497.b3lyp_6-31g(d).smash.inp (generated)

005036497.b3lyp_6-31g(d).nwchem.inp (generated) 005036497.b3lyp_6-31g(d).log.xz 005036497.td-b3lyp_6-31g+(d).inp 005036497.td-b3lyp_6-31g+(d).log.xz

005036497.td-b3lyp_6-31+g(d).qchem.inp (generated)

005036497.td-b3lyp_6-31+g(d).gjf (generated)

005036497.td-b3lyp_6-31+g(d).firefly.inp (generated)

005036497.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005036497.mol 005036497.PUBCHEM 005036497.mol (via Jmol)
005036525.b3lyp_6-31g(d).inp

005036525.b3lyp_6-31g(d).qchem.inp (generated)

005036525.b3lyp_6-31g(d).gjf (generated)

005036525.b3lyp_6-31g(d).firefly.inp (generated)

005036525.b3lyp_6-31g(d).smash.inp (generated)

005036525.b3lyp_6-31g(d).nwchem.inp (generated) 005036525.b3lyp_6-31g(d).log.xz 005036525.td-b3lyp_6-31g+(d).inp 005036525.td-b3lyp_6-31g+(d).log.xz

005036525.td-b3lyp_6-31+g(d).qchem.inp (generated)

005036525.td-b3lyp_6-31+g(d).gjf (generated)

005036525.td-b3lyp_6-31+g(d).firefly.inp (generated)

005036525.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005036525.mol 005036525.PUBCHEM 005036525.mol (via Jmol)
005036537.b3lyp_6-31g(d).inp

005036537.b3lyp_6-31g(d).qchem.inp (generated)

005036537.b3lyp_6-31g(d).gjf (generated)

005036537.b3lyp_6-31g(d).firefly.inp (generated)

005036537.b3lyp_6-31g(d).smash.inp (generated)

005036537.b3lyp_6-31g(d).nwchem.inp (generated) 005036537.b3lyp_6-31g(d).log.xz 005036537.mol 005036537.PUBCHEM 005036537.mol (via Jmol)
005036599.b3lyp_6-31g(d).inp

005036599.b3lyp_6-31g(d).qchem.inp (generated)

005036599.b3lyp_6-31g(d).gjf (generated)

005036599.b3lyp_6-31g(d).firefly.inp (generated)

005036599.b3lyp_6-31g(d).smash.inp (generated)

005036599.b3lyp_6-31g(d).nwchem.inp (generated) 005036599.b3lyp_6-31g(d).log.xz 005036599.td-b3lyp_6-31g+(d).inp 005036599.td-b3lyp_6-31g+(d).log.xz

005036599.td-b3lyp_6-31+g(d).qchem.inp (generated)

005036599.td-b3lyp_6-31+g(d).gjf (generated)

005036599.td-b3lyp_6-31+g(d).firefly.inp (generated)

005036599.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005036599.mol 005036599.PUBCHEM 005036599.mol (via Jmol)
005036604.b3lyp_6-31g(d).inp

005036604.b3lyp_6-31g(d).qchem.inp (generated)

005036604.b3lyp_6-31g(d).gjf (generated)

005036604.b3lyp_6-31g(d).firefly.inp (generated)

005036604.b3lyp_6-31g(d).smash.inp (generated)

005036604.b3lyp_6-31g(d).nwchem.inp (generated) 005036604.b3lyp_6-31g(d).log.xz 005036604.td-b3lyp_6-31g+(d).inp 005036604.td-b3lyp_6-31g+(d).log.xz

005036604.td-b3lyp_6-31+g(d).qchem.inp (generated)

005036604.td-b3lyp_6-31+g(d).gjf (generated)

005036604.td-b3lyp_6-31+g(d).firefly.inp (generated)

005036604.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005036604.mol 005036604.PUBCHEM 005036604.mol (via Jmol)
005036648.b3lyp_6-31g(d).inp

005036648.b3lyp_6-31g(d).qchem.inp (generated)

005036648.b3lyp_6-31g(d).gjf (generated)

005036648.b3lyp_6-31g(d).firefly.inp (generated)

005036648.b3lyp_6-31g(d).smash.inp (generated)

005036648.b3lyp_6-31g(d).nwchem.inp (generated) 005036648.b3lyp_6-31g(d).log.xz 005036648.td-b3lyp_6-31g+(d).inp 005036648.td-b3lyp_6-31g+(d).log.xz

005036648.td-b3lyp_6-31+g(d).qchem.inp (generated)

005036648.td-b3lyp_6-31+g(d).gjf (generated)

005036648.td-b3lyp_6-31+g(d).firefly.inp (generated)

005036648.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005036648.mol 005036648.PUBCHEM 005036648.mol (via Jmol)
005036780.b3lyp_6-31g(d).inp

005036780.b3lyp_6-31g(d).qchem.inp (generated)

005036780.b3lyp_6-31g(d).gjf (generated)

005036780.b3lyp_6-31g(d).firefly.inp (generated)

005036780.b3lyp_6-31g(d).smash.inp (generated)

005036780.b3lyp_6-31g(d).nwchem.inp (generated) 005036780.b3lyp_6-31g(d).log.xz 005036780.td-b3lyp_6-31g+(d).inp 005036780.td-b3lyp_6-31g+(d).log.xz

005036780.td-b3lyp_6-31+g(d).qchem.inp (generated)

005036780.td-b3lyp_6-31+g(d).gjf (generated)

005036780.td-b3lyp_6-31+g(d).firefly.inp (generated)

005036780.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005036780.mol 005036780.PUBCHEM 005036780.mol (via Jmol)
005036957.b3lyp_6-31g(d).inp

005036957.b3lyp_6-31g(d).qchem.inp (generated)

005036957.b3lyp_6-31g(d).gjf (generated)

005036957.b3lyp_6-31g(d).firefly.inp (generated)

005036957.b3lyp_6-31g(d).smash.inp (generated)

005036957.b3lyp_6-31g(d).nwchem.inp (generated) 005036957.b3lyp_6-31g(d).log.xz 005036957.td-b3lyp_6-31g+(d).inp 005036957.td-b3lyp_6-31g+(d).log.xz

005036957.td-b3lyp_6-31+g(d).qchem.inp (generated)

005036957.td-b3lyp_6-31+g(d).gjf (generated)

005036957.td-b3lyp_6-31+g(d).firefly.inp (generated)

005036957.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005036957.mol 005036957.PUBCHEM 005036957.mol (via Jmol)
005036960.b3lyp_6-31g(d).inp

005036960.b3lyp_6-31g(d).qchem.inp (generated)

005036960.b3lyp_6-31g(d).gjf (generated)

005036960.b3lyp_6-31g(d).firefly.inp (generated)

005036960.b3lyp_6-31g(d).smash.inp (generated)

005036960.b3lyp_6-31g(d).nwchem.inp (generated) 005036960.b3lyp_6-31g(d).log.xz 005036960.td-b3lyp_6-31g+(d).inp 005036960.td-b3lyp_6-31g+(d).log.xz

005036960.td-b3lyp_6-31+g(d).qchem.inp (generated)

005036960.td-b3lyp_6-31+g(d).gjf (generated)

005036960.td-b3lyp_6-31+g(d).firefly.inp (generated)

005036960.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005036960.mol 005036960.PUBCHEM 005036960.mol (via Jmol)
005036973.b3lyp_6-31g(d).inp

005036973.b3lyp_6-31g(d).qchem.inp (generated)

005036973.b3lyp_6-31g(d).gjf (generated)

005036973.b3lyp_6-31g(d).firefly.inp (generated)

005036973.b3lyp_6-31g(d).smash.inp (generated)

005036973.b3lyp_6-31g(d).nwchem.inp (generated) 005036973.b3lyp_6-31g(d).log.xz 005036973.mol 005036973.PUBCHEM 005036973.mol (via Jmol)
005036974.b3lyp_6-31g(d).inp

005036974.b3lyp_6-31g(d).qchem.inp (generated)

005036974.b3lyp_6-31g(d).gjf (generated)

005036974.b3lyp_6-31g(d).firefly.inp (generated)

005036974.b3lyp_6-31g(d).smash.inp (generated)

005036974.b3lyp_6-31g(d).nwchem.inp (generated) 005036974.b3lyp_6-31g(d).log.xz 005036974.td-b3lyp_6-31g+(d).inp 005036974.td-b3lyp_6-31g+(d).log.xz

005036974.td-b3lyp_6-31+g(d).qchem.inp (generated)

005036974.td-b3lyp_6-31+g(d).gjf (generated)

005036974.td-b3lyp_6-31+g(d).firefly.inp (generated)

005036974.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005036974.mol 005036974.PUBCHEM 005036974.mol (via Jmol)
005037303.b3lyp_6-31g(d).inp

005037303.b3lyp_6-31g(d).qchem.inp (generated)

005037303.b3lyp_6-31g(d).gjf (generated)

005037303.b3lyp_6-31g(d).firefly.inp (generated)

005037303.b3lyp_6-31g(d).smash.inp (generated)

005037303.b3lyp_6-31g(d).nwchem.inp (generated) 005037303.b3lyp_6-31g(d).log.xz 005037303.td-b3lyp_6-31g+(d).inp 005037303.td-b3lyp_6-31g+(d).log.xz

005037303.td-b3lyp_6-31+g(d).qchem.inp (generated)

005037303.td-b3lyp_6-31+g(d).gjf (generated)

005037303.td-b3lyp_6-31+g(d).firefly.inp (generated)

005037303.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005037303.mol 005037303.PUBCHEM 005037303.mol (via Jmol)
005037313.b3lyp_6-31g(d).inp

005037313.b3lyp_6-31g(d).qchem.inp (generated)

005037313.b3lyp_6-31g(d).gjf (generated)

005037313.b3lyp_6-31g(d).firefly.inp (generated)

005037313.b3lyp_6-31g(d).smash.inp (generated)

005037313.b3lyp_6-31g(d).nwchem.inp (generated) 005037313.b3lyp_6-31g(d).log.xz 005037313.td-b3lyp_6-31g+(d).inp 005037313.td-b3lyp_6-31g+(d).log.xz

005037313.td-b3lyp_6-31+g(d).qchem.inp (generated)

005037313.td-b3lyp_6-31+g(d).gjf (generated)

005037313.td-b3lyp_6-31+g(d).firefly.inp (generated)

005037313.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005037313.mol 005037313.PUBCHEM 005037313.mol (via Jmol)
005037379.b3lyp_6-31g(d).inp

005037379.b3lyp_6-31g(d).qchem.inp (generated)

005037379.b3lyp_6-31g(d).gjf (generated)

005037379.b3lyp_6-31g(d).firefly.inp (generated)

005037379.b3lyp_6-31g(d).smash.inp (generated)

005037379.b3lyp_6-31g(d).nwchem.inp (generated) 005037379.b3lyp_6-31g(d).log.xz 005037379.td-b3lyp_6-31g+(d).inp 005037379.td-b3lyp_6-31g+(d).log.xz

005037379.td-b3lyp_6-31+g(d).qchem.inp (generated)

005037379.td-b3lyp_6-31+g(d).gjf (generated)

005037379.td-b3lyp_6-31+g(d).firefly.inp (generated)

005037379.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005037379.mol 005037379.PUBCHEM 005037379.mol (via Jmol)
005037431.b3lyp_6-31g(d).inp

005037431.b3lyp_6-31g(d).qchem.inp (generated)

005037431.b3lyp_6-31g(d).gjf (generated)

005037431.b3lyp_6-31g(d).firefly.inp (generated)

005037431.b3lyp_6-31g(d).smash.inp (generated)

005037431.b3lyp_6-31g(d).nwchem.inp (generated) 005037431.b3lyp_6-31g(d).log.xz 005037431.td-b3lyp_6-31g+(d).inp 005037431.td-b3lyp_6-31g+(d).log.xz

005037431.td-b3lyp_6-31+g(d).qchem.inp (generated)

005037431.td-b3lyp_6-31+g(d).gjf (generated)

005037431.td-b3lyp_6-31+g(d).firefly.inp (generated)

005037431.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005037431.mol 005037431.PUBCHEM 005037431.mol (via Jmol)
005037466.b3lyp_6-31g(d).inp

005037466.b3lyp_6-31g(d).qchem.inp (generated)

005037466.b3lyp_6-31g(d).gjf (generated)

005037466.b3lyp_6-31g(d).firefly.inp (generated)

005037466.b3lyp_6-31g(d).smash.inp (generated)

005037466.b3lyp_6-31g(d).nwchem.inp (generated) 005037466.b3lyp_6-31g(d).log.xz 005037466.td-b3lyp_6-31g+(d).inp 005037466.td-b3lyp_6-31g+(d).log.xz

005037466.td-b3lyp_6-31+g(d).qchem.inp (generated)

005037466.td-b3lyp_6-31+g(d).gjf (generated)

005037466.td-b3lyp_6-31+g(d).firefly.inp (generated)

005037466.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005037466.mol 005037466.PUBCHEM 005037466.mol (via Jmol)
005037477.b3lyp_6-31g(d).inp

005037477.b3lyp_6-31g(d).qchem.inp (generated)

005037477.b3lyp_6-31g(d).gjf (generated)

005037477.b3lyp_6-31g(d).firefly.inp (generated)

005037477.b3lyp_6-31g(d).smash.inp (generated)

005037477.b3lyp_6-31g(d).nwchem.inp (generated) 005037477.b3lyp_6-31g(d).log.xz 005037477.td-b3lyp_6-31g+(d).inp 005037477.td-b3lyp_6-31g+(d).log.xz

005037477.td-b3lyp_6-31+g(d).qchem.inp (generated)

005037477.td-b3lyp_6-31+g(d).gjf (generated)

005037477.td-b3lyp_6-31+g(d).firefly.inp (generated)

005037477.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005037477.mol 005037477.PUBCHEM 005037477.mol (via Jmol)
005037532.b3lyp_6-31g(d).inp

005037532.b3lyp_6-31g(d).qchem.inp (generated)

005037532.b3lyp_6-31g(d).gjf (generated)

005037532.b3lyp_6-31g(d).firefly.inp (generated)

005037532.b3lyp_6-31g(d).smash.inp (generated)

005037532.b3lyp_6-31g(d).nwchem.inp (generated) 005037532.b3lyp_6-31g(d).log.xz 005037532.td-b3lyp_6-31g+(d).inp 005037532.td-b3lyp_6-31g+(d).log.xz

005037532.td-b3lyp_6-31+g(d).qchem.inp (generated)

005037532.td-b3lyp_6-31+g(d).gjf (generated)

005037532.td-b3lyp_6-31+g(d).firefly.inp (generated)

005037532.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005037532.mol 005037532.PUBCHEM 005037532.mol (via Jmol)
005037567.b3lyp_6-31g(d).inp

005037567.b3lyp_6-31g(d).qchem.inp (generated)

005037567.b3lyp_6-31g(d).gjf (generated)

005037567.b3lyp_6-31g(d).firefly.inp (generated)

005037567.b3lyp_6-31g(d).smash.inp (generated)

005037567.b3lyp_6-31g(d).nwchem.inp (generated) 005037567.b3lyp_6-31g(d).log.xz 005037567.td-b3lyp_6-31g+(d).inp 005037567.td-b3lyp_6-31g+(d).log.xz

005037567.td-b3lyp_6-31+g(d).qchem.inp (generated)

005037567.td-b3lyp_6-31+g(d).gjf (generated)

005037567.td-b3lyp_6-31+g(d).firefly.inp (generated)

005037567.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005037567.mol 005037567.PUBCHEM 005037567.mol (via Jmol)
005037695.b3lyp_6-31g(d).inp

005037695.b3lyp_6-31g(d).qchem.inp (generated)

005037695.b3lyp_6-31g(d).gjf (generated)

005037695.b3lyp_6-31g(d).firefly.inp (generated)

005037695.b3lyp_6-31g(d).smash.inp (generated)

005037695.b3lyp_6-31g(d).nwchem.inp (generated) 005037695.b3lyp_6-31g(d).log.xz 005037695.td-b3lyp_6-31g+(d).inp 005037695.td-b3lyp_6-31g+(d).log.xz

005037695.td-b3lyp_6-31+g(d).qchem.inp (generated)

005037695.td-b3lyp_6-31+g(d).gjf (generated)

005037695.td-b3lyp_6-31+g(d).firefly.inp (generated)

005037695.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005037695.mol 005037695.PUBCHEM 005037695.mol (via Jmol)
005037728.b3lyp_6-31g(d).inp

005037728.b3lyp_6-31g(d).qchem.inp (generated)

005037728.b3lyp_6-31g(d).gjf (generated)

005037728.b3lyp_6-31g(d).firefly.inp (generated)

005037728.b3lyp_6-31g(d).smash.inp (generated)

005037728.b3lyp_6-31g(d).nwchem.inp (generated) 005037728.b3lyp_6-31g(d).log.xz 005037728.td-b3lyp_6-31g+(d).inp 005037728.td-b3lyp_6-31g+(d).log.xz

005037728.td-b3lyp_6-31+g(d).qchem.inp (generated)

005037728.td-b3lyp_6-31+g(d).gjf (generated)

005037728.td-b3lyp_6-31+g(d).firefly.inp (generated)

005037728.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005037728.mol 005037728.PUBCHEM 005037728.mol (via Jmol)
005037768.b3lyp_6-31g(d).inp

005037768.b3lyp_6-31g(d).qchem.inp (generated)

005037768.b3lyp_6-31g(d).gjf (generated)

005037768.b3lyp_6-31g(d).firefly.inp (generated)

005037768.b3lyp_6-31g(d).smash.inp (generated)

005037768.b3lyp_6-31g(d).nwchem.inp (generated) 005037768.b3lyp_6-31g(d).log.xz 005037768.td-b3lyp_6-31g+(d).inp 005037768.td-b3lyp_6-31g+(d).log.xz

005037768.td-b3lyp_6-31+g(d).qchem.inp (generated)

005037768.td-b3lyp_6-31+g(d).gjf (generated)

005037768.td-b3lyp_6-31+g(d).firefly.inp (generated)

005037768.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005037768.mol 005037768.PUBCHEM 005037768.mol (via Jmol)
005037844.b3lyp_6-31g(d).inp

005037844.b3lyp_6-31g(d).qchem.inp (generated)

005037844.b3lyp_6-31g(d).gjf (generated)

005037844.b3lyp_6-31g(d).firefly.inp (generated)

005037844.b3lyp_6-31g(d).smash.inp (generated)

005037844.b3lyp_6-31g(d).nwchem.inp (generated) 005037844.b3lyp_6-31g(d).log.xz 005037844.td-b3lyp_6-31g+(d).inp 005037844.td-b3lyp_6-31g+(d).log.xz

005037844.td-b3lyp_6-31+g(d).qchem.inp (generated)

005037844.td-b3lyp_6-31+g(d).gjf (generated)

005037844.td-b3lyp_6-31+g(d).firefly.inp (generated)

005037844.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005037844.mol 005037844.PUBCHEM 005037844.mol (via Jmol)
005037879.b3lyp_6-31g(d).inp

005037879.b3lyp_6-31g(d).qchem.inp (generated)

005037879.b3lyp_6-31g(d).gjf (generated)

005037879.b3lyp_6-31g(d).firefly.inp (generated)

005037879.b3lyp_6-31g(d).smash.inp (generated)

005037879.b3lyp_6-31g(d).nwchem.inp (generated) 005037879.b3lyp_6-31g(d).log.xz 005037879.td-b3lyp_6-31g+(d).inp 005037879.td-b3lyp_6-31g+(d).log.xz

005037879.td-b3lyp_6-31+g(d).qchem.inp (generated)

005037879.td-b3lyp_6-31+g(d).gjf (generated)

005037879.td-b3lyp_6-31+g(d).firefly.inp (generated)

005037879.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005037879.mol 005037879.PUBCHEM 005037879.mol (via Jmol)
005037933.b3lyp_6-31g(d).inp

005037933.b3lyp_6-31g(d).qchem.inp (generated)

005037933.b3lyp_6-31g(d).gjf (generated)

005037933.b3lyp_6-31g(d).firefly.inp (generated)

005037933.b3lyp_6-31g(d).smash.inp (generated)

005037933.b3lyp_6-31g(d).nwchem.inp (generated) 005037933.b3lyp_6-31g(d).log.xz 005037933.td-b3lyp_6-31g+(d).inp 005037933.td-b3lyp_6-31g+(d).log.xz

005037933.td-b3lyp_6-31+g(d).qchem.inp (generated)

005037933.td-b3lyp_6-31+g(d).gjf (generated)

005037933.td-b3lyp_6-31+g(d).firefly.inp (generated)

005037933.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005037933.mol 005037933.PUBCHEM 005037933.mol (via Jmol)
005038058.b3lyp_6-31g(d).inp

005038058.b3lyp_6-31g(d).qchem.inp (generated)

005038058.b3lyp_6-31g(d).gjf (generated)

005038058.b3lyp_6-31g(d).firefly.inp (generated)

005038058.b3lyp_6-31g(d).smash.inp (generated)

005038058.b3lyp_6-31g(d).nwchem.inp (generated) 005038058.b3lyp_6-31g(d).log.xz 005038058.mol 005038058.PUBCHEM 005038058.mol (via Jmol)
005038256.b3lyp_6-31g(d).inp

005038256.b3lyp_6-31g(d).qchem.inp (generated)

005038256.b3lyp_6-31g(d).gjf (generated)

005038256.b3lyp_6-31g(d).firefly.inp (generated)

005038256.b3lyp_6-31g(d).smash.inp (generated)

005038256.b3lyp_6-31g(d).nwchem.inp (generated) 005038256.b3lyp_6-31g(d).log.xz 005038256.mol 005038256.PUBCHEM 005038256.mol (via Jmol)
005038368.b3lyp_6-31g(d).inp

005038368.b3lyp_6-31g(d).qchem.inp (generated)

005038368.b3lyp_6-31g(d).gjf (generated)

005038368.b3lyp_6-31g(d).firefly.inp (generated)

005038368.b3lyp_6-31g(d).smash.inp (generated)

005038368.b3lyp_6-31g(d).nwchem.inp (generated) 005038368.b3lyp_6-31g(d).log.xz 005038368.td-b3lyp_6-31g+(d).inp 005038368.td-b3lyp_6-31g+(d).log.xz

005038368.td-b3lyp_6-31+g(d).qchem.inp (generated)

005038368.td-b3lyp_6-31+g(d).gjf (generated)

005038368.td-b3lyp_6-31+g(d).firefly.inp (generated)

005038368.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005038368.mol 005038368.PUBCHEM 005038368.mol (via Jmol)
005038379.b3lyp_6-31g(d).inp

005038379.b3lyp_6-31g(d).qchem.inp (generated)

005038379.b3lyp_6-31g(d).gjf (generated)

005038379.b3lyp_6-31g(d).firefly.inp (generated)

005038379.b3lyp_6-31g(d).smash.inp (generated)

005038379.b3lyp_6-31g(d).nwchem.inp (generated) 005038379.b3lyp_6-31g(d).log.xz 005038379.td-b3lyp_6-31g+(d).inp 005038379.td-b3lyp_6-31g+(d).log.xz

005038379.td-b3lyp_6-31+g(d).qchem.inp (generated)

005038379.td-b3lyp_6-31+g(d).gjf (generated)

005038379.td-b3lyp_6-31+g(d).firefly.inp (generated)

005038379.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005038379.mol 005038379.PUBCHEM 005038379.mol (via Jmol)
005038404.b3lyp_6-31g(d).inp

005038404.b3lyp_6-31g(d).qchem.inp (generated)

005038404.b3lyp_6-31g(d).gjf (generated)

005038404.b3lyp_6-31g(d).firefly.inp (generated)

005038404.b3lyp_6-31g(d).smash.inp (generated)

005038404.b3lyp_6-31g(d).nwchem.inp (generated) 005038404.b3lyp_6-31g(d).log.xz 005038404.td-b3lyp_6-31g+(d).inp 005038404.td-b3lyp_6-31g+(d).log.xz

005038404.td-b3lyp_6-31+g(d).qchem.inp (generated)

005038404.td-b3lyp_6-31+g(d).gjf (generated)

005038404.td-b3lyp_6-31+g(d).firefly.inp (generated)

005038404.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005038404.mol 005038404.PUBCHEM 005038404.mol (via Jmol)
005038462.b3lyp_6-31g(d).inp

005038462.b3lyp_6-31g(d).qchem.inp (generated)

005038462.b3lyp_6-31g(d).gjf (generated)

005038462.b3lyp_6-31g(d).firefly.inp (generated)

005038462.b3lyp_6-31g(d).smash.inp (generated)

005038462.b3lyp_6-31g(d).nwchem.inp (generated) 005038462.b3lyp_6-31g(d).log.xz 005038462.mol 005038462.PUBCHEM 005038462.mol (via Jmol)
005038496.b3lyp_6-31g(d).inp

005038496.b3lyp_6-31g(d).qchem.inp (generated)

005038496.b3lyp_6-31g(d).gjf (generated)

005038496.b3lyp_6-31g(d).firefly.inp (generated)

005038496.b3lyp_6-31g(d).smash.inp (generated)

005038496.b3lyp_6-31g(d).nwchem.inp (generated) 005038496.b3lyp_6-31g(d).log.xz 005038496.td-b3lyp_6-31g+(d).inp 005038496.td-b3lyp_6-31g+(d).log.xz

005038496.td-b3lyp_6-31+g(d).qchem.inp (generated)

005038496.td-b3lyp_6-31+g(d).gjf (generated)

005038496.td-b3lyp_6-31+g(d).firefly.inp (generated)

005038496.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005038496.mol 005038496.PUBCHEM 005038496.mol (via Jmol)
005038546.b3lyp_6-31g(d).inp

005038546.b3lyp_6-31g(d).qchem.inp (generated)

005038546.b3lyp_6-31g(d).gjf (generated)

005038546.b3lyp_6-31g(d).firefly.inp (generated)

005038546.b3lyp_6-31g(d).smash.inp (generated)

005038546.b3lyp_6-31g(d).nwchem.inp (generated) 005038546.b3lyp_6-31g(d).log.xz 005038546.td-b3lyp_6-31g+(d).inp 005038546.td-b3lyp_6-31g+(d).log.xz

005038546.td-b3lyp_6-31+g(d).qchem.inp (generated)

005038546.td-b3lyp_6-31+g(d).gjf (generated)

005038546.td-b3lyp_6-31+g(d).firefly.inp (generated)

005038546.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005038546.mol 005038546.PUBCHEM 005038546.mol (via Jmol)
005038547.b3lyp_6-31g(d).inp

005038547.b3lyp_6-31g(d).qchem.inp (generated)

005038547.b3lyp_6-31g(d).gjf (generated)

005038547.b3lyp_6-31g(d).firefly.inp (generated)

005038547.b3lyp_6-31g(d).smash.inp (generated)

005038547.b3lyp_6-31g(d).nwchem.inp (generated) 005038547.b3lyp_6-31g(d).log.xz 005038547.td-b3lyp_6-31g+(d).inp 005038547.td-b3lyp_6-31g+(d).log.xz

005038547.td-b3lyp_6-31+g(d).qchem.inp (generated)

005038547.td-b3lyp_6-31+g(d).gjf (generated)

005038547.td-b3lyp_6-31+g(d).firefly.inp (generated)

005038547.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005038547.mol 005038547.PUBCHEM 005038547.mol (via Jmol)
005038579.b3lyp_6-31g(d).inp

005038579.b3lyp_6-31g(d).qchem.inp (generated)

005038579.b3lyp_6-31g(d).gjf (generated)

005038579.b3lyp_6-31g(d).firefly.inp (generated)

005038579.b3lyp_6-31g(d).smash.inp (generated)

005038579.b3lyp_6-31g(d).nwchem.inp (generated) 005038579.b3lyp_6-31g(d).log.xz 005038579.td-b3lyp_6-31g+(d).inp 005038579.td-b3lyp_6-31g+(d).log.xz

005038579.td-b3lyp_6-31+g(d).qchem.inp (generated)

005038579.td-b3lyp_6-31+g(d).gjf (generated)

005038579.td-b3lyp_6-31+g(d).firefly.inp (generated)

005038579.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005038579.mol 005038579.PUBCHEM 005038579.mol (via Jmol)
005038614.b3lyp_6-31g(d).inp

005038614.b3lyp_6-31g(d).qchem.inp (generated)

005038614.b3lyp_6-31g(d).gjf (generated)

005038614.b3lyp_6-31g(d).firefly.inp (generated)

005038614.b3lyp_6-31g(d).smash.inp (generated)

005038614.b3lyp_6-31g(d).nwchem.inp (generated) 005038614.b3lyp_6-31g(d).log.xz 005038614.td-b3lyp_6-31g+(d).inp 005038614.td-b3lyp_6-31g+(d).log.xz

005038614.td-b3lyp_6-31+g(d).qchem.inp (generated)

005038614.td-b3lyp_6-31+g(d).gjf (generated)

005038614.td-b3lyp_6-31+g(d).firefly.inp (generated)

005038614.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005038614.mol 005038614.PUBCHEM 005038614.mol (via Jmol)
005038682.b3lyp_6-31g(d).inp

005038682.b3lyp_6-31g(d).qchem.inp (generated)

005038682.b3lyp_6-31g(d).gjf (generated)

005038682.b3lyp_6-31g(d).firefly.inp (generated)

005038682.b3lyp_6-31g(d).smash.inp (generated)

005038682.b3lyp_6-31g(d).nwchem.inp (generated) 005038682.b3lyp_6-31g(d).log.xz 005038682.td-b3lyp_6-31g+(d).inp 005038682.td-b3lyp_6-31g+(d).log.xz

005038682.td-b3lyp_6-31+g(d).qchem.inp (generated)

005038682.td-b3lyp_6-31+g(d).gjf (generated)

005038682.td-b3lyp_6-31+g(d).firefly.inp (generated)

005038682.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005038682.mol 005038682.PUBCHEM 005038682.mol (via Jmol)
005038691.b3lyp_6-31g(d).inp

005038691.b3lyp_6-31g(d).qchem.inp (generated)

005038691.b3lyp_6-31g(d).gjf (generated)

005038691.b3lyp_6-31g(d).firefly.inp (generated)

005038691.b3lyp_6-31g(d).smash.inp (generated)

005038691.b3lyp_6-31g(d).nwchem.inp (generated) 005038691.b3lyp_6-31g(d).log.xz 005038691.td-b3lyp_6-31g+(d).inp 005038691.td-b3lyp_6-31g+(d).log.xz

005038691.td-b3lyp_6-31+g(d).qchem.inp (generated)

005038691.td-b3lyp_6-31+g(d).gjf (generated)

005038691.td-b3lyp_6-31+g(d).firefly.inp (generated)

005038691.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005038691.mol 005038691.PUBCHEM 005038691.mol (via Jmol)
005038694.b3lyp_6-31g(d).inp

005038694.b3lyp_6-31g(d).qchem.inp (generated)

005038694.b3lyp_6-31g(d).gjf (generated)

005038694.b3lyp_6-31g(d).firefly.inp (generated)

005038694.b3lyp_6-31g(d).smash.inp (generated)

005038694.b3lyp_6-31g(d).nwchem.inp (generated) 005038694.b3lyp_6-31g(d).log.xz 005038694.mol 005038694.PUBCHEM 005038694.mol (via Jmol)
005038790.b3lyp_6-31g(d).inp

005038790.b3lyp_6-31g(d).qchem.inp (generated)

005038790.b3lyp_6-31g(d).gjf (generated)

005038790.b3lyp_6-31g(d).firefly.inp (generated)

005038790.b3lyp_6-31g(d).smash.inp (generated)

005038790.b3lyp_6-31g(d).nwchem.inp (generated) 005038790.b3lyp_6-31g(d).log.xz 005038790.td-b3lyp_6-31g+(d).inp 005038790.td-b3lyp_6-31g+(d).log.xz

005038790.td-b3lyp_6-31+g(d).qchem.inp (generated)

005038790.td-b3lyp_6-31+g(d).gjf (generated)

005038790.td-b3lyp_6-31+g(d).firefly.inp (generated)

005038790.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005038790.mol 005038790.PUBCHEM 005038790.mol (via Jmol)
005038792.b3lyp_6-31g(d).inp

005038792.b3lyp_6-31g(d).qchem.inp (generated)

005038792.b3lyp_6-31g(d).gjf (generated)

005038792.b3lyp_6-31g(d).firefly.inp (generated)

005038792.b3lyp_6-31g(d).smash.inp (generated)

005038792.b3lyp_6-31g(d).nwchem.inp (generated) 005038792.b3lyp_6-31g(d).log.xz 005038792.td-b3lyp_6-31g+(d).inp 005038792.td-b3lyp_6-31g+(d).log.xz

005038792.td-b3lyp_6-31+g(d).qchem.inp (generated)

005038792.td-b3lyp_6-31+g(d).gjf (generated)

005038792.td-b3lyp_6-31+g(d).firefly.inp (generated)

005038792.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005038792.mol 005038792.PUBCHEM 005038792.mol (via Jmol)
005038842.b3lyp_6-31g(d).inp

005038842.b3lyp_6-31g(d).qchem.inp (generated)

005038842.b3lyp_6-31g(d).gjf (generated)

005038842.b3lyp_6-31g(d).firefly.inp (generated)

005038842.b3lyp_6-31g(d).smash.inp (generated)

005038842.b3lyp_6-31g(d).nwchem.inp (generated) 005038842.b3lyp_6-31g(d).log.xz 005038842.td-b3lyp_6-31g+(d).inp 005038842.td-b3lyp_6-31g+(d).log.xz

005038842.td-b3lyp_6-31+g(d).qchem.inp (generated)

005038842.td-b3lyp_6-31+g(d).gjf (generated)

005038842.td-b3lyp_6-31+g(d).firefly.inp (generated)

005038842.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005038842.mol 005038842.PUBCHEM 005038842.mol (via Jmol)
005038854.b3lyp_6-31g(d).inp

005038854.b3lyp_6-31g(d).qchem.inp (generated)

005038854.b3lyp_6-31g(d).gjf (generated)

005038854.b3lyp_6-31g(d).firefly.inp (generated)

005038854.b3lyp_6-31g(d).smash.inp (generated)

005038854.b3lyp_6-31g(d).nwchem.inp (generated) 005038854.b3lyp_6-31g(d).log.xz 005038854.td-b3lyp_6-31g+(d).inp 005038854.td-b3lyp_6-31g+(d).log.xz

005038854.td-b3lyp_6-31+g(d).qchem.inp (generated)

005038854.td-b3lyp_6-31+g(d).gjf (generated)

005038854.td-b3lyp_6-31+g(d).firefly.inp (generated)

005038854.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005038854.mol 005038854.PUBCHEM 005038854.mol (via Jmol)
005038906.b3lyp_6-31g(d).inp

005038906.b3lyp_6-31g(d).qchem.inp (generated)

005038906.b3lyp_6-31g(d).gjf (generated)

005038906.b3lyp_6-31g(d).firefly.inp (generated)

005038906.b3lyp_6-31g(d).smash.inp (generated)

005038906.b3lyp_6-31g(d).nwchem.inp (generated) 005038906.b3lyp_6-31g(d).log.xz 005038906.td-b3lyp_6-31g+(d).inp 005038906.td-b3lyp_6-31g+(d).log.xz

005038906.td-b3lyp_6-31+g(d).qchem.inp (generated)

005038906.td-b3lyp_6-31+g(d).gjf (generated)

005038906.td-b3lyp_6-31+g(d).firefly.inp (generated)

005038906.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005038906.mol 005038906.PUBCHEM 005038906.mol (via Jmol)
005038937.b3lyp_6-31g(d).inp

005038937.b3lyp_6-31g(d).qchem.inp (generated)

005038937.b3lyp_6-31g(d).gjf (generated)

005038937.b3lyp_6-31g(d).firefly.inp (generated)

005038937.b3lyp_6-31g(d).smash.inp (generated)

005038937.b3lyp_6-31g(d).nwchem.inp (generated) 005038937.b3lyp_6-31g(d).log.xz 005038937.td-b3lyp_6-31g+(d).inp 005038937.td-b3lyp_6-31g+(d).log.xz

005038937.td-b3lyp_6-31+g(d).qchem.inp (generated)

005038937.td-b3lyp_6-31+g(d).gjf (generated)

005038937.td-b3lyp_6-31+g(d).firefly.inp (generated)

005038937.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005038937.mol 005038937.PUBCHEM 005038937.mol (via Jmol)
005039010.b3lyp_6-31g(d).inp

005039010.b3lyp_6-31g(d).qchem.inp (generated)

005039010.b3lyp_6-31g(d).gjf (generated)

005039010.b3lyp_6-31g(d).firefly.inp (generated)

005039010.b3lyp_6-31g(d).smash.inp (generated)

005039010.b3lyp_6-31g(d).nwchem.inp (generated) 005039010.b3lyp_6-31g(d).log.xz 005039010.mol 005039010.PUBCHEM 005039010.mol (via Jmol)
005039038.b3lyp_6-31g(d).inp

005039038.b3lyp_6-31g(d).qchem.inp (generated)

005039038.b3lyp_6-31g(d).gjf (generated)

005039038.b3lyp_6-31g(d).firefly.inp (generated)

005039038.b3lyp_6-31g(d).smash.inp (generated)

005039038.b3lyp_6-31g(d).nwchem.inp (generated) 005039038.b3lyp_6-31g(d).log.xz 005039038.td-b3lyp_6-31g+(d).inp 005039038.td-b3lyp_6-31g+(d).log.xz

005039038.td-b3lyp_6-31+g(d).qchem.inp (generated)

005039038.td-b3lyp_6-31+g(d).gjf (generated)

005039038.td-b3lyp_6-31+g(d).firefly.inp (generated)

005039038.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005039038.mol 005039038.PUBCHEM 005039038.mol (via Jmol)
005039140.b3lyp_6-31g(d).inp

005039140.b3lyp_6-31g(d).qchem.inp (generated)

005039140.b3lyp_6-31g(d).gjf (generated)

005039140.b3lyp_6-31g(d).firefly.inp (generated)

005039140.b3lyp_6-31g(d).smash.inp (generated)

005039140.b3lyp_6-31g(d).nwchem.inp (generated) 005039140.b3lyp_6-31g(d).log.xz 005039140.td-b3lyp_6-31g+(d).inp 005039140.td-b3lyp_6-31g+(d).log.xz

005039140.td-b3lyp_6-31+g(d).qchem.inp (generated)

005039140.td-b3lyp_6-31+g(d).gjf (generated)

005039140.td-b3lyp_6-31+g(d).firefly.inp (generated)

005039140.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005039140.mol 005039140.PUBCHEM 005039140.mol (via Jmol)
005039142.b3lyp_6-31g(d).inp

005039142.b3lyp_6-31g(d).qchem.inp (generated)

005039142.b3lyp_6-31g(d).gjf (generated)

005039142.b3lyp_6-31g(d).firefly.inp (generated)

005039142.b3lyp_6-31g(d).smash.inp (generated)

005039142.b3lyp_6-31g(d).nwchem.inp (generated) 005039142.b3lyp_6-31g(d).log.xz 005039142.mol 005039142.PUBCHEM 005039142.mol (via Jmol)
005039155.b3lyp_6-31g(d).inp

005039155.b3lyp_6-31g(d).qchem.inp (generated)

005039155.b3lyp_6-31g(d).gjf (generated)

005039155.b3lyp_6-31g(d).firefly.inp (generated)

005039155.b3lyp_6-31g(d).smash.inp (generated)

005039155.b3lyp_6-31g(d).nwchem.inp (generated) 005039155.b3lyp_6-31g(d).log.xz 005039155.td-b3lyp_6-31g+(d).inp 005039155.td-b3lyp_6-31g+(d).log.xz

005039155.td-b3lyp_6-31+g(d).qchem.inp (generated)

005039155.td-b3lyp_6-31+g(d).gjf (generated)

005039155.td-b3lyp_6-31+g(d).firefly.inp (generated)

005039155.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005039155.mol 005039155.PUBCHEM 005039155.mol (via Jmol)
005039209.b3lyp_6-31g(d).inp

005039209.b3lyp_6-31g(d).qchem.inp (generated)

005039209.b3lyp_6-31g(d).gjf (generated)

005039209.b3lyp_6-31g(d).firefly.inp (generated)

005039209.b3lyp_6-31g(d).smash.inp (generated)

005039209.b3lyp_6-31g(d).nwchem.inp (generated) 005039209.b3lyp_6-31g(d).log.xz 005039209.td-b3lyp_6-31g+(d).inp 005039209.td-b3lyp_6-31g+(d).log.xz

005039209.td-b3lyp_6-31+g(d).qchem.inp (generated)

005039209.td-b3lyp_6-31+g(d).gjf (generated)

005039209.td-b3lyp_6-31+g(d).firefly.inp (generated)

005039209.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005039209.mol 005039209.PUBCHEM 005039209.mol (via Jmol)
005039255.b3lyp_6-31g(d).inp

005039255.b3lyp_6-31g(d).qchem.inp (generated)

005039255.b3lyp_6-31g(d).gjf (generated)

005039255.b3lyp_6-31g(d).firefly.inp (generated)

005039255.b3lyp_6-31g(d).smash.inp (generated)

005039255.b3lyp_6-31g(d).nwchem.inp (generated) 005039255.b3lyp_6-31g(d).log.xz 005039255.td-b3lyp_6-31g+(d).inp 005039255.td-b3lyp_6-31g+(d).log.xz

005039255.td-b3lyp_6-31+g(d).qchem.inp (generated)

005039255.td-b3lyp_6-31+g(d).gjf (generated)

005039255.td-b3lyp_6-31+g(d).firefly.inp (generated)

005039255.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005039255.mol 005039255.PUBCHEM 005039255.mol (via Jmol)
005039264.b3lyp_6-31g(d).inp

005039264.b3lyp_6-31g(d).qchem.inp (generated)

005039264.b3lyp_6-31g(d).gjf (generated)

005039264.b3lyp_6-31g(d).firefly.inp (generated)

005039264.b3lyp_6-31g(d).smash.inp (generated)

005039264.b3lyp_6-31g(d).nwchem.inp (generated) 005039264.b3lyp_6-31g(d).log.xz 005039264.td-b3lyp_6-31g+(d).inp 005039264.td-b3lyp_6-31g+(d).log.xz

005039264.td-b3lyp_6-31+g(d).qchem.inp (generated)

005039264.td-b3lyp_6-31+g(d).gjf (generated)

005039264.td-b3lyp_6-31+g(d).firefly.inp (generated)

005039264.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005039264.mol 005039264.PUBCHEM 005039264.mol (via Jmol)
005039315.b3lyp_6-31g(d).inp

005039315.b3lyp_6-31g(d).qchem.inp (generated)

005039315.b3lyp_6-31g(d).gjf (generated)

005039315.b3lyp_6-31g(d).firefly.inp (generated)

005039315.b3lyp_6-31g(d).smash.inp (generated)

005039315.b3lyp_6-31g(d).nwchem.inp (generated) 005039315.b3lyp_6-31g(d).log.xz 005039315.mol 005039315.PUBCHEM 005039315.mol (via Jmol)
005039320.b3lyp_6-31g(d).inp

005039320.b3lyp_6-31g(d).qchem.inp (generated)

005039320.b3lyp_6-31g(d).gjf (generated)

005039320.b3lyp_6-31g(d).firefly.inp (generated)

005039320.b3lyp_6-31g(d).smash.inp (generated)

005039320.b3lyp_6-31g(d).nwchem.inp (generated) 005039320.b3lyp_6-31g(d).log.xz 005039320.td-b3lyp_6-31g+(d).inp 005039320.td-b3lyp_6-31g+(d).log.xz

005039320.td-b3lyp_6-31+g(d).qchem.inp (generated)

005039320.td-b3lyp_6-31+g(d).gjf (generated)

005039320.td-b3lyp_6-31+g(d).firefly.inp (generated)

005039320.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005039320.mol 005039320.PUBCHEM 005039320.mol (via Jmol)
005039377.b3lyp_6-31g(d).inp

005039377.b3lyp_6-31g(d).qchem.inp (generated)

005039377.b3lyp_6-31g(d).gjf (generated)

005039377.b3lyp_6-31g(d).firefly.inp (generated)

005039377.b3lyp_6-31g(d).smash.inp (generated)

005039377.b3lyp_6-31g(d).nwchem.inp (generated) 005039377.b3lyp_6-31g(d).log.xz 005039377.td-b3lyp_6-31g+(d).inp 005039377.td-b3lyp_6-31g+(d).log.xz

005039377.td-b3lyp_6-31+g(d).qchem.inp (generated)

005039377.td-b3lyp_6-31+g(d).gjf (generated)

005039377.td-b3lyp_6-31+g(d).firefly.inp (generated)

005039377.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005039377.mol 005039377.PUBCHEM 005039377.mol (via Jmol)
005039446.b3lyp_6-31g(d).inp

005039446.b3lyp_6-31g(d).qchem.inp (generated)

005039446.b3lyp_6-31g(d).gjf (generated)

005039446.b3lyp_6-31g(d).firefly.inp (generated)

005039446.b3lyp_6-31g(d).smash.inp (generated)

005039446.b3lyp_6-31g(d).nwchem.inp (generated) 005039446.b3lyp_6-31g(d).log.xz 005039446.td-b3lyp_6-31g+(d).inp 005039446.td-b3lyp_6-31g+(d).log.xz

005039446.td-b3lyp_6-31+g(d).qchem.inp (generated)

005039446.td-b3lyp_6-31+g(d).gjf (generated)

005039446.td-b3lyp_6-31+g(d).firefly.inp (generated)

005039446.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005039446.mol 005039446.PUBCHEM 005039446.mol (via Jmol)
005039453.b3lyp_6-31g(d).inp

005039453.b3lyp_6-31g(d).qchem.inp (generated)

005039453.b3lyp_6-31g(d).gjf (generated)

005039453.b3lyp_6-31g(d).firefly.inp (generated)

005039453.b3lyp_6-31g(d).smash.inp (generated)

005039453.b3lyp_6-31g(d).nwchem.inp (generated) 005039453.b3lyp_6-31g(d).log.xz 005039453.td-b3lyp_6-31g+(d).inp 005039453.td-b3lyp_6-31g+(d).log.xz

005039453.td-b3lyp_6-31+g(d).qchem.inp (generated)

005039453.td-b3lyp_6-31+g(d).gjf (generated)

005039453.td-b3lyp_6-31+g(d).firefly.inp (generated)

005039453.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005039453.mol 005039453.PUBCHEM 005039453.mol (via Jmol)
005039565.b3lyp_6-31g(d).inp

005039565.b3lyp_6-31g(d).qchem.inp (generated)

005039565.b3lyp_6-31g(d).gjf (generated)

005039565.b3lyp_6-31g(d).firefly.inp (generated)

005039565.b3lyp_6-31g(d).smash.inp (generated)

005039565.b3lyp_6-31g(d).nwchem.inp (generated) 005039565.b3lyp_6-31g(d).log.xz 005039565.mol 005039565.PUBCHEM 005039565.mol (via Jmol)
005039750.b3lyp_6-31g(d).inp

005039750.b3lyp_6-31g(d).qchem.inp (generated)

005039750.b3lyp_6-31g(d).gjf (generated)

005039750.b3lyp_6-31g(d).firefly.inp (generated)

005039750.b3lyp_6-31g(d).smash.inp (generated)

005039750.b3lyp_6-31g(d).nwchem.inp (generated) 005039750.b3lyp_6-31g(d).log.xz 005039750.td-b3lyp_6-31g+(d).inp 005039750.td-b3lyp_6-31g+(d).log.xz

005039750.td-b3lyp_6-31+g(d).qchem.inp (generated)

005039750.td-b3lyp_6-31+g(d).gjf (generated)

005039750.td-b3lyp_6-31+g(d).firefly.inp (generated)

005039750.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005039750.mol 005039750.PUBCHEM 005039750.mol (via Jmol)
005039805.b3lyp_6-31g(d).inp

005039805.b3lyp_6-31g(d).qchem.inp (generated)

005039805.b3lyp_6-31g(d).gjf (generated)

005039805.b3lyp_6-31g(d).firefly.inp (generated)

005039805.b3lyp_6-31g(d).smash.inp (generated)

005039805.b3lyp_6-31g(d).nwchem.inp (generated) 005039805.b3lyp_6-31g(d).log.xz 005039805.td-b3lyp_6-31g+(d).inp 005039805.td-b3lyp_6-31g+(d).log.xz

005039805.td-b3lyp_6-31+g(d).qchem.inp (generated)

005039805.td-b3lyp_6-31+g(d).gjf (generated)

005039805.td-b3lyp_6-31+g(d).firefly.inp (generated)

005039805.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005039805.mol 005039805.PUBCHEM 005039805.mol (via Jmol)
005039833.b3lyp_6-31g(d).inp

005039833.b3lyp_6-31g(d).qchem.inp (generated)

005039833.b3lyp_6-31g(d).gjf (generated)

005039833.b3lyp_6-31g(d).firefly.inp (generated)

005039833.b3lyp_6-31g(d).smash.inp (generated)

005039833.b3lyp_6-31g(d).nwchem.inp (generated) 005039833.b3lyp_6-31g(d).log.xz 005039833.td-b3lyp_6-31g+(d).inp 005039833.td-b3lyp_6-31g+(d).log.xz

005039833.td-b3lyp_6-31+g(d).qchem.inp (generated)

005039833.td-b3lyp_6-31+g(d).gjf (generated)

005039833.td-b3lyp_6-31+g(d).firefly.inp (generated)

005039833.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005039833.mol 005039833.PUBCHEM 005039833.mol (via Jmol)
005039839.b3lyp_6-31g(d).inp

005039839.b3lyp_6-31g(d).qchem.inp (generated)

005039839.b3lyp_6-31g(d).gjf (generated)

005039839.b3lyp_6-31g(d).firefly.inp (generated)

005039839.b3lyp_6-31g(d).smash.inp (generated)

005039839.b3lyp_6-31g(d).nwchem.inp (generated) 005039839.b3lyp_6-31g(d).log.xz 005039839.td-b3lyp_6-31g+(d).inp 005039839.td-b3lyp_6-31g+(d).log.xz

005039839.td-b3lyp_6-31+g(d).qchem.inp (generated)

005039839.td-b3lyp_6-31+g(d).gjf (generated)

005039839.td-b3lyp_6-31+g(d).firefly.inp (generated)

005039839.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005039839.mol 005039839.PUBCHEM 005039839.mol (via Jmol)
005039880.b3lyp_6-31g(d).inp

005039880.b3lyp_6-31g(d).qchem.inp (generated)

005039880.b3lyp_6-31g(d).gjf (generated)

005039880.b3lyp_6-31g(d).firefly.inp (generated)

005039880.b3lyp_6-31g(d).smash.inp (generated)

005039880.b3lyp_6-31g(d).nwchem.inp (generated) 005039880.b3lyp_6-31g(d).log.xz 005039880.td-b3lyp_6-31g+(d).inp 005039880.td-b3lyp_6-31g+(d).log.xz

005039880.td-b3lyp_6-31+g(d).qchem.inp (generated)

005039880.td-b3lyp_6-31+g(d).gjf (generated)

005039880.td-b3lyp_6-31+g(d).firefly.inp (generated)

005039880.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005039880.mol 005039880.PUBCHEM 005039880.mol (via Jmol)
005040019.b3lyp_6-31g(d).inp

005040019.b3lyp_6-31g(d).qchem.inp (generated)

005040019.b3lyp_6-31g(d).gjf (generated)

005040019.b3lyp_6-31g(d).firefly.inp (generated)

005040019.b3lyp_6-31g(d).smash.inp (generated)

005040019.b3lyp_6-31g(d).nwchem.inp (generated) 005040019.b3lyp_6-31g(d).log.xz 005040019.mol 005040019.PUBCHEM 005040019.mol (via Jmol)
005040086.b3lyp_6-31g(d).inp

005040086.b3lyp_6-31g(d).qchem.inp (generated)

005040086.b3lyp_6-31g(d).gjf (generated)

005040086.b3lyp_6-31g(d).firefly.inp (generated)

005040086.b3lyp_6-31g(d).smash.inp (generated)

005040086.b3lyp_6-31g(d).nwchem.inp (generated) 005040086.b3lyp_6-31g(d).log.xz 005040086.td-b3lyp_6-31g+(d).inp 005040086.td-b3lyp_6-31g+(d).log.xz

005040086.td-b3lyp_6-31+g(d).qchem.inp (generated)

005040086.td-b3lyp_6-31+g(d).gjf (generated)

005040086.td-b3lyp_6-31+g(d).firefly.inp (generated)

005040086.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005040086.mol 005040086.PUBCHEM 005040086.mol (via Jmol)
005040424.b3lyp_6-31g(d).inp

005040424.b3lyp_6-31g(d).qchem.inp (generated)

005040424.b3lyp_6-31g(d).gjf (generated)

005040424.b3lyp_6-31g(d).firefly.inp (generated)

005040424.b3lyp_6-31g(d).smash.inp (generated)

005040424.b3lyp_6-31g(d).nwchem.inp (generated) 005040424.b3lyp_6-31g(d).log.xz 005040424.td-b3lyp_6-31g+(d).inp 005040424.td-b3lyp_6-31g+(d).log.xz

005040424.td-b3lyp_6-31+g(d).qchem.inp (generated)

005040424.td-b3lyp_6-31+g(d).gjf (generated)

005040424.td-b3lyp_6-31+g(d).firefly.inp (generated)

005040424.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005040424.mol 005040424.PUBCHEM 005040424.mol (via Jmol)
005040425.b3lyp_6-31g(d).inp

005040425.b3lyp_6-31g(d).qchem.inp (generated)

005040425.b3lyp_6-31g(d).gjf (generated)

005040425.b3lyp_6-31g(d).firefly.inp (generated)

005040425.b3lyp_6-31g(d).smash.inp (generated)

005040425.b3lyp_6-31g(d).nwchem.inp (generated) 005040425.b3lyp_6-31g(d).log.xz 005040425.td-b3lyp_6-31g+(d).inp 005040425.td-b3lyp_6-31g+(d).log.xz

005040425.td-b3lyp_6-31+g(d).qchem.inp (generated)

005040425.td-b3lyp_6-31+g(d).gjf (generated)

005040425.td-b3lyp_6-31+g(d).firefly.inp (generated)

005040425.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005040425.mol 005040425.PUBCHEM 005040425.mol (via Jmol)
005040437.b3lyp_6-31g(d).inp

005040437.b3lyp_6-31g(d).qchem.inp (generated)

005040437.b3lyp_6-31g(d).gjf (generated)

005040437.b3lyp_6-31g(d).firefly.inp (generated)

005040437.b3lyp_6-31g(d).smash.inp (generated)

005040437.b3lyp_6-31g(d).nwchem.inp (generated) 005040437.b3lyp_6-31g(d).log.xz 005040437.td-b3lyp_6-31g+(d).inp 005040437.td-b3lyp_6-31g+(d).log.xz

005040437.td-b3lyp_6-31+g(d).qchem.inp (generated)

005040437.td-b3lyp_6-31+g(d).gjf (generated)

005040437.td-b3lyp_6-31+g(d).firefly.inp (generated)

005040437.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005040437.mol 005040437.PUBCHEM 005040437.mol (via Jmol)
005040471.b3lyp_6-31g(d).inp

005040471.b3lyp_6-31g(d).qchem.inp (generated)

005040471.b3lyp_6-31g(d).gjf (generated)

005040471.b3lyp_6-31g(d).firefly.inp (generated)

005040471.b3lyp_6-31g(d).smash.inp (generated)

005040471.b3lyp_6-31g(d).nwchem.inp (generated) 005040471.b3lyp_6-31g(d).log.xz 005040471.td-b3lyp_6-31g+(d).inp 005040471.td-b3lyp_6-31g+(d).log.xz

005040471.td-b3lyp_6-31+g(d).qchem.inp (generated)

005040471.td-b3lyp_6-31+g(d).gjf (generated)

005040471.td-b3lyp_6-31+g(d).firefly.inp (generated)

005040471.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005040471.mol 005040471.PUBCHEM 005040471.mol (via Jmol)
005040514.b3lyp_6-31g(d).inp

005040514.b3lyp_6-31g(d).qchem.inp (generated)

005040514.b3lyp_6-31g(d).gjf (generated)

005040514.b3lyp_6-31g(d).firefly.inp (generated)

005040514.b3lyp_6-31g(d).smash.inp (generated)

005040514.b3lyp_6-31g(d).nwchem.inp (generated) 005040514.b3lyp_6-31g(d).log.xz 005040514.td-b3lyp_6-31g+(d).inp 005040514.td-b3lyp_6-31g+(d).log.xz

005040514.td-b3lyp_6-31+g(d).qchem.inp (generated)

005040514.td-b3lyp_6-31+g(d).gjf (generated)

005040514.td-b3lyp_6-31+g(d).firefly.inp (generated)

005040514.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005040514.mol 005040514.PUBCHEM 005040514.mol (via Jmol)
005040560.b3lyp_6-31g(d).inp

005040560.b3lyp_6-31g(d).qchem.inp (generated)

005040560.b3lyp_6-31g(d).gjf (generated)

005040560.b3lyp_6-31g(d).firefly.inp (generated)

005040560.b3lyp_6-31g(d).smash.inp (generated)

005040560.b3lyp_6-31g(d).nwchem.inp (generated) 005040560.b3lyp_6-31g(d).log.xz 005040560.td-b3lyp_6-31g+(d).inp 005040560.td-b3lyp_6-31g+(d).log.xz

005040560.td-b3lyp_6-31+g(d).qchem.inp (generated)

005040560.td-b3lyp_6-31+g(d).gjf (generated)

005040560.td-b3lyp_6-31+g(d).firefly.inp (generated)

005040560.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005040560.mol 005040560.PUBCHEM 005040560.mol (via Jmol)
005040722.b3lyp_6-31g(d).inp

005040722.b3lyp_6-31g(d).qchem.inp (generated)

005040722.b3lyp_6-31g(d).gjf (generated)

005040722.b3lyp_6-31g(d).firefly.inp (generated)

005040722.b3lyp_6-31g(d).smash.inp (generated)

005040722.b3lyp_6-31g(d).nwchem.inp (generated) 005040722.b3lyp_6-31g(d).log.xz 005040722.td-b3lyp_6-31g+(d).inp 005040722.td-b3lyp_6-31g+(d).log.xz

005040722.td-b3lyp_6-31+g(d).qchem.inp (generated)

005040722.td-b3lyp_6-31+g(d).gjf (generated)

005040722.td-b3lyp_6-31+g(d).firefly.inp (generated)

005040722.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005040722.mol 005040722.PUBCHEM 005040722.mol (via Jmol)
005040885.b3lyp_6-31g(d).inp

005040885.b3lyp_6-31g(d).qchem.inp (generated)

005040885.b3lyp_6-31g(d).gjf (generated)

005040885.b3lyp_6-31g(d).firefly.inp (generated)

005040885.b3lyp_6-31g(d).smash.inp (generated)

005040885.b3lyp_6-31g(d).nwchem.inp (generated) 005040885.b3lyp_6-31g(d).log.xz 005040885.td-b3lyp_6-31g+(d).inp 005040885.td-b3lyp_6-31g+(d).log.xz

005040885.td-b3lyp_6-31+g(d).qchem.inp (generated)

005040885.td-b3lyp_6-31+g(d).gjf (generated)

005040885.td-b3lyp_6-31+g(d).firefly.inp (generated)

005040885.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005040885.mol 005040885.PUBCHEM 005040885.mol (via Jmol)
005041064.b3lyp_6-31g(d).inp

005041064.b3lyp_6-31g(d).qchem.inp (generated)

005041064.b3lyp_6-31g(d).gjf (generated)

005041064.b3lyp_6-31g(d).firefly.inp (generated)

005041064.b3lyp_6-31g(d).smash.inp (generated)

005041064.b3lyp_6-31g(d).nwchem.inp (generated) 005041064.b3lyp_6-31g(d).log.xz 005041064.td-b3lyp_6-31g+(d).inp 005041064.td-b3lyp_6-31g+(d).log.xz

005041064.td-b3lyp_6-31+g(d).qchem.inp (generated)

005041064.td-b3lyp_6-31+g(d).gjf (generated)

005041064.td-b3lyp_6-31+g(d).firefly.inp (generated)

005041064.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005041064.mol 005041064.PUBCHEM 005041064.mol (via Jmol)
005041110.b3lyp_6-31g(d).inp

005041110.b3lyp_6-31g(d).qchem.inp (generated)

005041110.b3lyp_6-31g(d).gjf (generated)

005041110.b3lyp_6-31g(d).firefly.inp (generated)

005041110.b3lyp_6-31g(d).smash.inp (generated)

005041110.b3lyp_6-31g(d).nwchem.inp (generated) 005041110.b3lyp_6-31g(d).log.xz 005041110.td-b3lyp_6-31g+(d).inp 005041110.td-b3lyp_6-31g+(d).log.xz

005041110.td-b3lyp_6-31+g(d).qchem.inp (generated)

005041110.td-b3lyp_6-31+g(d).gjf (generated)

005041110.td-b3lyp_6-31+g(d).firefly.inp (generated)

005041110.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005041110.mol 005041110.PUBCHEM 005041110.mol (via Jmol)
005041129.b3lyp_6-31g(d).inp

005041129.b3lyp_6-31g(d).qchem.inp (generated)

005041129.b3lyp_6-31g(d).gjf (generated)

005041129.b3lyp_6-31g(d).firefly.inp (generated)

005041129.b3lyp_6-31g(d).smash.inp (generated)

005041129.b3lyp_6-31g(d).nwchem.inp (generated) 005041129.b3lyp_6-31g(d).log.xz 005041129.td-b3lyp_6-31g+(d).inp 005041129.td-b3lyp_6-31g+(d).log.xz

005041129.td-b3lyp_6-31+g(d).qchem.inp (generated)

005041129.td-b3lyp_6-31+g(d).gjf (generated)

005041129.td-b3lyp_6-31+g(d).firefly.inp (generated)

005041129.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005041129.mol 005041129.PUBCHEM 005041129.mol (via Jmol)
005041203.b3lyp_6-31g(d).inp

005041203.b3lyp_6-31g(d).qchem.inp (generated)

005041203.b3lyp_6-31g(d).gjf (generated)

005041203.b3lyp_6-31g(d).firefly.inp (generated)

005041203.b3lyp_6-31g(d).smash.inp (generated)

005041203.b3lyp_6-31g(d).nwchem.inp (generated) 005041203.b3lyp_6-31g(d).log.xz 005041203.mol 005041203.PUBCHEM 005041203.mol (via Jmol)
005041280.b3lyp_6-31g(d).inp

005041280.b3lyp_6-31g(d).qchem.inp (generated)

005041280.b3lyp_6-31g(d).gjf (generated)

005041280.b3lyp_6-31g(d).firefly.inp (generated)

005041280.b3lyp_6-31g(d).smash.inp (generated)

005041280.b3lyp_6-31g(d).nwchem.inp (generated) 005041280.b3lyp_6-31g(d).log.xz 005041280.td-b3lyp_6-31g+(d).inp 005041280.td-b3lyp_6-31g+(d).log.xz

005041280.td-b3lyp_6-31+g(d).qchem.inp (generated)

005041280.td-b3lyp_6-31+g(d).gjf (generated)

005041280.td-b3lyp_6-31+g(d).firefly.inp (generated)

005041280.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005041280.mol 005041280.PUBCHEM 005041280.mol (via Jmol)
005041387.b3lyp_6-31g(d).inp

005041387.b3lyp_6-31g(d).qchem.inp (generated)

005041387.b3lyp_6-31g(d).gjf (generated)

005041387.b3lyp_6-31g(d).firefly.inp (generated)

005041387.b3lyp_6-31g(d).smash.inp (generated)

005041387.b3lyp_6-31g(d).nwchem.inp (generated) 005041387.b3lyp_6-31g(d).log.xz 005041387.td-b3lyp_6-31g+(d).inp 005041387.td-b3lyp_6-31g+(d).log.xz

005041387.td-b3lyp_6-31+g(d).qchem.inp (generated)

005041387.td-b3lyp_6-31+g(d).gjf (generated)

005041387.td-b3lyp_6-31+g(d).firefly.inp (generated)

005041387.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005041387.mol 005041387.PUBCHEM 005041387.mol (via Jmol)
005041401.b3lyp_6-31g(d).inp

005041401.b3lyp_6-31g(d).qchem.inp (generated)

005041401.b3lyp_6-31g(d).gjf (generated)

005041401.b3lyp_6-31g(d).firefly.inp (generated)

005041401.b3lyp_6-31g(d).smash.inp (generated)

005041401.b3lyp_6-31g(d).nwchem.inp (generated) 005041401.b3lyp_6-31g(d).log.xz 005041401.td-b3lyp_6-31g+(d).inp 005041401.td-b3lyp_6-31g+(d).log.xz

005041401.td-b3lyp_6-31+g(d).qchem.inp (generated)

005041401.td-b3lyp_6-31+g(d).gjf (generated)

005041401.td-b3lyp_6-31+g(d).firefly.inp (generated)

005041401.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005041401.mol 005041401.PUBCHEM 005041401.mol (via Jmol)
005041402.b3lyp_6-31g(d).inp

005041402.b3lyp_6-31g(d).qchem.inp (generated)

005041402.b3lyp_6-31g(d).gjf (generated)

005041402.b3lyp_6-31g(d).firefly.inp (generated)

005041402.b3lyp_6-31g(d).smash.inp (generated)

005041402.b3lyp_6-31g(d).nwchem.inp (generated) 005041402.b3lyp_6-31g(d).log.xz 005041402.td-b3lyp_6-31g+(d).inp 005041402.td-b3lyp_6-31g+(d).log.xz

005041402.td-b3lyp_6-31+g(d).qchem.inp (generated)

005041402.td-b3lyp_6-31+g(d).gjf (generated)

005041402.td-b3lyp_6-31+g(d).firefly.inp (generated)

005041402.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005041402.mol 005041402.PUBCHEM 005041402.mol (via Jmol)
005041461.b3lyp_6-31g(d).inp

005041461.b3lyp_6-31g(d).qchem.inp (generated)

005041461.b3lyp_6-31g(d).gjf (generated)

005041461.b3lyp_6-31g(d).firefly.inp (generated)

005041461.b3lyp_6-31g(d).smash.inp (generated)

005041461.b3lyp_6-31g(d).nwchem.inp (generated) 005041461.b3lyp_6-31g(d).log.xz 005041461.td-b3lyp_6-31g+(d).inp 005041461.td-b3lyp_6-31g+(d).log.xz

005041461.td-b3lyp_6-31+g(d).qchem.inp (generated)

005041461.td-b3lyp_6-31+g(d).gjf (generated)

005041461.td-b3lyp_6-31+g(d).firefly.inp (generated)

005041461.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005041461.mol 005041461.PUBCHEM 005041461.mol (via Jmol)
005041464.b3lyp_6-31g(d).inp

005041464.b3lyp_6-31g(d).qchem.inp (generated)

005041464.b3lyp_6-31g(d).gjf (generated)

005041464.b3lyp_6-31g(d).firefly.inp (generated)

005041464.b3lyp_6-31g(d).smash.inp (generated)

005041464.b3lyp_6-31g(d).nwchem.inp (generated) 005041464.b3lyp_6-31g(d).log.xz 005041464.mol 005041464.PUBCHEM 005041464.mol (via Jmol)
005041466.b3lyp_6-31g(d).inp

005041466.b3lyp_6-31g(d).qchem.inp (generated)

005041466.b3lyp_6-31g(d).gjf (generated)

005041466.b3lyp_6-31g(d).firefly.inp (generated)

005041466.b3lyp_6-31g(d).smash.inp (generated)

005041466.b3lyp_6-31g(d).nwchem.inp (generated) 005041466.b3lyp_6-31g(d).log.xz 005041466.td-b3lyp_6-31g+(d).inp 005041466.td-b3lyp_6-31g+(d).log.xz

005041466.td-b3lyp_6-31+g(d).qchem.inp (generated)

005041466.td-b3lyp_6-31+g(d).gjf (generated)

005041466.td-b3lyp_6-31+g(d).firefly.inp (generated)

005041466.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005041466.mol 005041466.PUBCHEM 005041466.mol (via Jmol)
005041627.b3lyp_6-31g(d).inp

005041627.b3lyp_6-31g(d).qchem.inp (generated)

005041627.b3lyp_6-31g(d).gjf (generated)

005041627.b3lyp_6-31g(d).firefly.inp (generated)

005041627.b3lyp_6-31g(d).smash.inp (generated)

005041627.b3lyp_6-31g(d).nwchem.inp (generated) 005041627.b3lyp_6-31g(d).log.xz 005041627.td-b3lyp_6-31g+(d).inp 005041627.td-b3lyp_6-31g+(d).log.xz

005041627.td-b3lyp_6-31+g(d).qchem.inp (generated)

005041627.td-b3lyp_6-31+g(d).gjf (generated)

005041627.td-b3lyp_6-31+g(d).firefly.inp (generated)

005041627.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005041627.mol 005041627.PUBCHEM 005041627.mol (via Jmol)
005041631.b3lyp_6-31g(d).inp

005041631.b3lyp_6-31g(d).qchem.inp (generated)

005041631.b3lyp_6-31g(d).gjf (generated)

005041631.b3lyp_6-31g(d).firefly.inp (generated)

005041631.b3lyp_6-31g(d).smash.inp (generated)

005041631.b3lyp_6-31g(d).nwchem.inp (generated) 005041631.b3lyp_6-31g(d).log.xz 005041631.td-b3lyp_6-31g+(d).inp 005041631.td-b3lyp_6-31g+(d).log.xz

005041631.td-b3lyp_6-31+g(d).qchem.inp (generated)

005041631.td-b3lyp_6-31+g(d).gjf (generated)

005041631.td-b3lyp_6-31+g(d).firefly.inp (generated)

005041631.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005041631.mol 005041631.PUBCHEM 005041631.mol (via Jmol)
005041739.b3lyp_6-31g(d).inp

005041739.b3lyp_6-31g(d).qchem.inp (generated)

005041739.b3lyp_6-31g(d).gjf (generated)

005041739.b3lyp_6-31g(d).firefly.inp (generated)

005041739.b3lyp_6-31g(d).smash.inp (generated)

005041739.b3lyp_6-31g(d).nwchem.inp (generated) 005041739.b3lyp_6-31g(d).log.xz 005041739.td-b3lyp_6-31g+(d).inp 005041739.td-b3lyp_6-31g+(d).log.xz

005041739.td-b3lyp_6-31+g(d).qchem.inp (generated)

005041739.td-b3lyp_6-31+g(d).gjf (generated)

005041739.td-b3lyp_6-31+g(d).firefly.inp (generated)

005041739.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005041739.mol 005041739.PUBCHEM 005041739.mol (via Jmol)
005041935.b3lyp_6-31g(d).inp

005041935.b3lyp_6-31g(d).qchem.inp (generated)

005041935.b3lyp_6-31g(d).gjf (generated)

005041935.b3lyp_6-31g(d).firefly.inp (generated)

005041935.b3lyp_6-31g(d).smash.inp (generated)

005041935.b3lyp_6-31g(d).nwchem.inp (generated) 005041935.b3lyp_6-31g(d).log.xz 005041935.td-b3lyp_6-31g+(d).inp 005041935.td-b3lyp_6-31g+(d).log.xz

005041935.td-b3lyp_6-31+g(d).qchem.inp (generated)

005041935.td-b3lyp_6-31+g(d).gjf (generated)

005041935.td-b3lyp_6-31+g(d).firefly.inp (generated)

005041935.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005041935.mol 005041935.PUBCHEM 005041935.mol (via Jmol)
005041955.b3lyp_6-31g(d).inp

005041955.b3lyp_6-31g(d).qchem.inp (generated)

005041955.b3lyp_6-31g(d).gjf (generated)

005041955.b3lyp_6-31g(d).firefly.inp (generated)

005041955.b3lyp_6-31g(d).smash.inp (generated)

005041955.b3lyp_6-31g(d).nwchem.inp (generated) 005041955.b3lyp_6-31g(d).log.xz 005041955.mol 005041955.PUBCHEM 005041955.mol (via Jmol)
005042001.b3lyp_6-31g(d).inp

005042001.b3lyp_6-31g(d).qchem.inp (generated)

005042001.b3lyp_6-31g(d).gjf (generated)

005042001.b3lyp_6-31g(d).firefly.inp (generated)

005042001.b3lyp_6-31g(d).smash.inp (generated)

005042001.b3lyp_6-31g(d).nwchem.inp (generated) 005042001.b3lyp_6-31g(d).log.xz 005042001.td-b3lyp_6-31g+(d).inp 005042001.td-b3lyp_6-31g+(d).log.xz

005042001.td-b3lyp_6-31+g(d).qchem.inp (generated)

005042001.td-b3lyp_6-31+g(d).gjf (generated)

005042001.td-b3lyp_6-31+g(d).firefly.inp (generated)

005042001.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005042001.mol 005042001.PUBCHEM 005042001.mol (via Jmol)
005042042.b3lyp_6-31g(d).inp

005042042.b3lyp_6-31g(d).qchem.inp (generated)

005042042.b3lyp_6-31g(d).gjf (generated)

005042042.b3lyp_6-31g(d).firefly.inp (generated)

005042042.b3lyp_6-31g(d).smash.inp (generated)

005042042.b3lyp_6-31g(d).nwchem.inp (generated) 005042042.b3lyp_6-31g(d).log.xz 005042042.td-b3lyp_6-31g+(d).inp 005042042.td-b3lyp_6-31g+(d).log.xz

005042042.td-b3lyp_6-31+g(d).qchem.inp (generated)

005042042.td-b3lyp_6-31+g(d).gjf (generated)

005042042.td-b3lyp_6-31+g(d).firefly.inp (generated)

005042042.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005042042.mol 005042042.PUBCHEM 005042042.mol (via Jmol)
005042123.b3lyp_6-31g(d).inp

005042123.b3lyp_6-31g(d).qchem.inp (generated)

005042123.b3lyp_6-31g(d).gjf (generated)

005042123.b3lyp_6-31g(d).firefly.inp (generated)

005042123.b3lyp_6-31g(d).smash.inp (generated)

005042123.b3lyp_6-31g(d).nwchem.inp (generated) 005042123.b3lyp_6-31g(d).log.xz 005042123.td-b3lyp_6-31g+(d).inp 005042123.td-b3lyp_6-31g+(d).log.xz

005042123.td-b3lyp_6-31+g(d).qchem.inp (generated)

005042123.td-b3lyp_6-31+g(d).gjf (generated)

005042123.td-b3lyp_6-31+g(d).firefly.inp (generated)

005042123.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005042123.mol 005042123.PUBCHEM 005042123.mol (via Jmol)
005042125.b3lyp_6-31g(d).inp

005042125.b3lyp_6-31g(d).qchem.inp (generated)

005042125.b3lyp_6-31g(d).gjf (generated)

005042125.b3lyp_6-31g(d).firefly.inp (generated)

005042125.b3lyp_6-31g(d).smash.inp (generated)

005042125.b3lyp_6-31g(d).nwchem.inp (generated) 005042125.b3lyp_6-31g(d).log.xz 005042125.mol 005042125.PUBCHEM 005042125.mol (via Jmol)
005042198.b3lyp_6-31g(d).inp

005042198.b3lyp_6-31g(d).qchem.inp (generated)

005042198.b3lyp_6-31g(d).gjf (generated)

005042198.b3lyp_6-31g(d).firefly.inp (generated)

005042198.b3lyp_6-31g(d).smash.inp (generated)

005042198.b3lyp_6-31g(d).nwchem.inp (generated) 005042198.b3lyp_6-31g(d).log.xz 005042198.mol 005042198.PUBCHEM 005042198.mol (via Jmol)
005042338.b3lyp_6-31g(d).inp

005042338.b3lyp_6-31g(d).qchem.inp (generated)

005042338.b3lyp_6-31g(d).gjf (generated)

005042338.b3lyp_6-31g(d).firefly.inp (generated)

005042338.b3lyp_6-31g(d).smash.inp (generated)

005042338.b3lyp_6-31g(d).nwchem.inp (generated) 005042338.b3lyp_6-31g(d).log.xz 005042338.td-b3lyp_6-31g+(d).inp 005042338.td-b3lyp_6-31g+(d).log.xz

005042338.td-b3lyp_6-31+g(d).qchem.inp (generated)

005042338.td-b3lyp_6-31+g(d).gjf (generated)

005042338.td-b3lyp_6-31+g(d).firefly.inp (generated)

005042338.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005042338.mol 005042338.PUBCHEM 005042338.mol (via Jmol)
005042339.b3lyp_6-31g(d).inp

005042339.b3lyp_6-31g(d).qchem.inp (generated)

005042339.b3lyp_6-31g(d).gjf (generated)

005042339.b3lyp_6-31g(d).firefly.inp (generated)

005042339.b3lyp_6-31g(d).smash.inp (generated)

005042339.b3lyp_6-31g(d).nwchem.inp (generated) 005042339.b3lyp_6-31g(d).log.xz 005042339.mol 005042339.PUBCHEM 005042339.mol (via Jmol)
005042465.b3lyp_6-31g(d).inp

005042465.b3lyp_6-31g(d).qchem.inp (generated)

005042465.b3lyp_6-31g(d).gjf (generated)

005042465.b3lyp_6-31g(d).firefly.inp (generated)

005042465.b3lyp_6-31g(d).smash.inp (generated)

005042465.b3lyp_6-31g(d).nwchem.inp (generated) 005042465.b3lyp_6-31g(d).log.xz 005042465.mol 005042465.PUBCHEM 005042465.mol (via Jmol)
005042494.b3lyp_6-31g(d).inp

005042494.b3lyp_6-31g(d).qchem.inp (generated)

005042494.b3lyp_6-31g(d).gjf (generated)

005042494.b3lyp_6-31g(d).firefly.inp (generated)

005042494.b3lyp_6-31g(d).smash.inp (generated)

005042494.b3lyp_6-31g(d).nwchem.inp (generated) 005042494.b3lyp_6-31g(d).log.xz 005042494.td-b3lyp_6-31g+(d).inp 005042494.td-b3lyp_6-31g+(d).log.xz

005042494.td-b3lyp_6-31+g(d).qchem.inp (generated)

005042494.td-b3lyp_6-31+g(d).gjf (generated)

005042494.td-b3lyp_6-31+g(d).firefly.inp (generated)

005042494.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005042494.mol 005042494.PUBCHEM 005042494.mol (via Jmol)
005042498.b3lyp_6-31g(d).inp

005042498.b3lyp_6-31g(d).qchem.inp (generated)

005042498.b3lyp_6-31g(d).gjf (generated)

005042498.b3lyp_6-31g(d).firefly.inp (generated)

005042498.b3lyp_6-31g(d).smash.inp (generated)

005042498.b3lyp_6-31g(d).nwchem.inp (generated) 005042498.b3lyp_6-31g(d).log.xz 005042498.mol 005042498.PUBCHEM 005042498.mol (via Jmol)
005042531.b3lyp_6-31g(d).inp

005042531.b3lyp_6-31g(d).qchem.inp (generated)

005042531.b3lyp_6-31g(d).gjf (generated)

005042531.b3lyp_6-31g(d).firefly.inp (generated)

005042531.b3lyp_6-31g(d).smash.inp (generated)

005042531.b3lyp_6-31g(d).nwchem.inp (generated) 005042531.b3lyp_6-31g(d).log.xz 005042531.td-b3lyp_6-31g+(d).inp 005042531.td-b3lyp_6-31g+(d).log.xz

005042531.td-b3lyp_6-31+g(d).qchem.inp (generated)

005042531.td-b3lyp_6-31+g(d).gjf (generated)

005042531.td-b3lyp_6-31+g(d).firefly.inp (generated)

005042531.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005042531.mol 005042531.PUBCHEM 005042531.mol (via Jmol)
005042581.b3lyp_6-31g(d).inp

005042581.b3lyp_6-31g(d).qchem.inp (generated)

005042581.b3lyp_6-31g(d).gjf (generated)

005042581.b3lyp_6-31g(d).firefly.inp (generated)

005042581.b3lyp_6-31g(d).smash.inp (generated)

005042581.b3lyp_6-31g(d).nwchem.inp (generated) 005042581.b3lyp_6-31g(d).log.xz 005042581.td-b3lyp_6-31g+(d).inp 005042581.td-b3lyp_6-31g+(d).log.xz

005042581.td-b3lyp_6-31+g(d).qchem.inp (generated)

005042581.td-b3lyp_6-31+g(d).gjf (generated)

005042581.td-b3lyp_6-31+g(d).firefly.inp (generated)

005042581.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005042581.mol 005042581.PUBCHEM 005042581.mol (via Jmol)
005042603.b3lyp_6-31g(d).inp

005042603.b3lyp_6-31g(d).qchem.inp (generated)

005042603.b3lyp_6-31g(d).gjf (generated)

005042603.b3lyp_6-31g(d).firefly.inp (generated)

005042603.b3lyp_6-31g(d).smash.inp (generated)

005042603.b3lyp_6-31g(d).nwchem.inp (generated) 005042603.b3lyp_6-31g(d).log.xz 005042603.td-b3lyp_6-31g+(d).inp 005042603.td-b3lyp_6-31g+(d).log.xz

005042603.td-b3lyp_6-31+g(d).qchem.inp (generated)

005042603.td-b3lyp_6-31+g(d).gjf (generated)

005042603.td-b3lyp_6-31+g(d).firefly.inp (generated)

005042603.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005042603.mol 005042603.PUBCHEM 005042603.mol (via Jmol)
005042631.b3lyp_6-31g(d).inp

005042631.b3lyp_6-31g(d).qchem.inp (generated)

005042631.b3lyp_6-31g(d).gjf (generated)

005042631.b3lyp_6-31g(d).firefly.inp (generated)

005042631.b3lyp_6-31g(d).smash.inp (generated)

005042631.b3lyp_6-31g(d).nwchem.inp (generated) 005042631.b3lyp_6-31g(d).log.xz 005042631.td-b3lyp_6-31g+(d).inp 005042631.td-b3lyp_6-31g+(d).log.xz

005042631.td-b3lyp_6-31+g(d).qchem.inp (generated)

005042631.td-b3lyp_6-31+g(d).gjf (generated)

005042631.td-b3lyp_6-31+g(d).firefly.inp (generated)

005042631.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005042631.mol 005042631.PUBCHEM 005042631.mol (via Jmol)
005042749.b3lyp_6-31g(d).inp

005042749.b3lyp_6-31g(d).qchem.inp (generated)

005042749.b3lyp_6-31g(d).gjf (generated)

005042749.b3lyp_6-31g(d).firefly.inp (generated)

005042749.b3lyp_6-31g(d).smash.inp (generated)

005042749.b3lyp_6-31g(d).nwchem.inp (generated) 005042749.b3lyp_6-31g(d).log.xz 005042749.td-b3lyp_6-31g+(d).inp 005042749.td-b3lyp_6-31g+(d).log.xz

005042749.td-b3lyp_6-31+g(d).qchem.inp (generated)

005042749.td-b3lyp_6-31+g(d).gjf (generated)

005042749.td-b3lyp_6-31+g(d).firefly.inp (generated)

005042749.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005042749.mol 005042749.PUBCHEM 005042749.mol (via Jmol)
005042775.b3lyp_6-31g(d).inp

005042775.b3lyp_6-31g(d).qchem.inp (generated)

005042775.b3lyp_6-31g(d).gjf (generated)

005042775.b3lyp_6-31g(d).firefly.inp (generated)

005042775.b3lyp_6-31g(d).smash.inp (generated)

005042775.b3lyp_6-31g(d).nwchem.inp (generated) 005042775.b3lyp_6-31g(d).log.xz 005042775.mol 005042775.PUBCHEM 005042775.mol (via Jmol)
005042776.b3lyp_6-31g(d).inp

005042776.b3lyp_6-31g(d).qchem.inp (generated)

005042776.b3lyp_6-31g(d).gjf (generated)

005042776.b3lyp_6-31g(d).firefly.inp (generated)

005042776.b3lyp_6-31g(d).smash.inp (generated)

005042776.b3lyp_6-31g(d).nwchem.inp (generated) 005042776.b3lyp_6-31g(d).log.xz 005042776.td-b3lyp_6-31g+(d).inp 005042776.td-b3lyp_6-31g+(d).log.xz

005042776.td-b3lyp_6-31+g(d).qchem.inp (generated)

005042776.td-b3lyp_6-31+g(d).gjf (generated)

005042776.td-b3lyp_6-31+g(d).firefly.inp (generated)

005042776.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005042776.mol 005042776.PUBCHEM 005042776.mol (via Jmol)
005042794.b3lyp_6-31g(d).inp

005042794.b3lyp_6-31g(d).qchem.inp (generated)

005042794.b3lyp_6-31g(d).gjf (generated)

005042794.b3lyp_6-31g(d).firefly.inp (generated)

005042794.b3lyp_6-31g(d).smash.inp (generated)

005042794.b3lyp_6-31g(d).nwchem.inp (generated) 005042794.b3lyp_6-31g(d).log.xz 005042794.td-b3lyp_6-31g+(d).inp 005042794.td-b3lyp_6-31g+(d).log.xz

005042794.td-b3lyp_6-31+g(d).qchem.inp (generated)

005042794.td-b3lyp_6-31+g(d).gjf (generated)

005042794.td-b3lyp_6-31+g(d).firefly.inp (generated)

005042794.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005042794.mol 005042794.PUBCHEM 005042794.mol (via Jmol)
005043058.b3lyp_6-31g(d).inp

005043058.b3lyp_6-31g(d).qchem.inp (generated)

005043058.b3lyp_6-31g(d).gjf (generated)

005043058.b3lyp_6-31g(d).firefly.inp (generated)

005043058.b3lyp_6-31g(d).smash.inp (generated)

005043058.b3lyp_6-31g(d).nwchem.inp (generated) 005043058.b3lyp_6-31g(d).log.xz 005043058.mol 005043058.PUBCHEM 005043058.mol (via Jmol)
005043062.b3lyp_6-31g(d).inp

005043062.b3lyp_6-31g(d).qchem.inp (generated)

005043062.b3lyp_6-31g(d).gjf (generated)

005043062.b3lyp_6-31g(d).firefly.inp (generated)

005043062.b3lyp_6-31g(d).smash.inp (generated)

005043062.b3lyp_6-31g(d).nwchem.inp (generated) 005043062.b3lyp_6-31g(d).log.xz 005043062.td-b3lyp_6-31g+(d).inp 005043062.td-b3lyp_6-31g+(d).log.xz

005043062.td-b3lyp_6-31+g(d).qchem.inp (generated)

005043062.td-b3lyp_6-31+g(d).gjf (generated)

005043062.td-b3lyp_6-31+g(d).firefly.inp (generated)

005043062.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005043062.mol 005043062.PUBCHEM 005043062.mol (via Jmol)
005043073.b3lyp_6-31g(d).inp

005043073.b3lyp_6-31g(d).qchem.inp (generated)

005043073.b3lyp_6-31g(d).gjf (generated)

005043073.b3lyp_6-31g(d).firefly.inp (generated)

005043073.b3lyp_6-31g(d).smash.inp (generated)

005043073.b3lyp_6-31g(d).nwchem.inp (generated) 005043073.b3lyp_6-31g(d).log.xz 005043073.td-b3lyp_6-31g+(d).inp 005043073.td-b3lyp_6-31g+(d).log.xz

005043073.td-b3lyp_6-31+g(d).qchem.inp (generated)

005043073.td-b3lyp_6-31+g(d).gjf (generated)

005043073.td-b3lyp_6-31+g(d).firefly.inp (generated)

005043073.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005043073.mol 005043073.PUBCHEM 005043073.mol (via Jmol)
005043118.b3lyp_6-31g(d).inp

005043118.b3lyp_6-31g(d).qchem.inp (generated)

005043118.b3lyp_6-31g(d).gjf (generated)

005043118.b3lyp_6-31g(d).firefly.inp (generated)

005043118.b3lyp_6-31g(d).smash.inp (generated)

005043118.b3lyp_6-31g(d).nwchem.inp (generated) 005043118.b3lyp_6-31g(d).log.xz 005043118.td-b3lyp_6-31g+(d).inp 005043118.td-b3lyp_6-31g+(d).log.xz

005043118.td-b3lyp_6-31+g(d).qchem.inp (generated)

005043118.td-b3lyp_6-31+g(d).gjf (generated)

005043118.td-b3lyp_6-31+g(d).firefly.inp (generated)

005043118.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005043118.mol 005043118.PUBCHEM 005043118.mol (via Jmol)
005043190.b3lyp_6-31g(d).inp

005043190.b3lyp_6-31g(d).qchem.inp (generated)

005043190.b3lyp_6-31g(d).gjf (generated)

005043190.b3lyp_6-31g(d).firefly.inp (generated)

005043190.b3lyp_6-31g(d).smash.inp (generated)

005043190.b3lyp_6-31g(d).nwchem.inp (generated) 005043190.b3lyp_6-31g(d).log.xz 005043190.td-b3lyp_6-31g+(d).inp 005043190.td-b3lyp_6-31g+(d).log.xz

005043190.td-b3lyp_6-31+g(d).qchem.inp (generated)

005043190.td-b3lyp_6-31+g(d).gjf (generated)

005043190.td-b3lyp_6-31+g(d).firefly.inp (generated)

005043190.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005043190.mol 005043190.PUBCHEM 005043190.mol (via Jmol)
005043210.b3lyp_6-31g(d).inp

005043210.b3lyp_6-31g(d).qchem.inp (generated)

005043210.b3lyp_6-31g(d).gjf (generated)

005043210.b3lyp_6-31g(d).firefly.inp (generated)

005043210.b3lyp_6-31g(d).smash.inp (generated)

005043210.b3lyp_6-31g(d).nwchem.inp (generated) 005043210.b3lyp_6-31g(d).log.xz 005043210.td-b3lyp_6-31g+(d).inp 005043210.td-b3lyp_6-31g+(d).log.xz

005043210.td-b3lyp_6-31+g(d).qchem.inp (generated)

005043210.td-b3lyp_6-31+g(d).gjf (generated)

005043210.td-b3lyp_6-31+g(d).firefly.inp (generated)

005043210.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005043210.mol 005043210.PUBCHEM 005043210.mol (via Jmol)
005043300.b3lyp_6-31g(d).inp

005043300.b3lyp_6-31g(d).qchem.inp (generated)

005043300.b3lyp_6-31g(d).gjf (generated)

005043300.b3lyp_6-31g(d).firefly.inp (generated)

005043300.b3lyp_6-31g(d).smash.inp (generated)

005043300.b3lyp_6-31g(d).nwchem.inp (generated) 005043300.b3lyp_6-31g(d).log.xz 005043300.td-b3lyp_6-31g+(d).inp 005043300.td-b3lyp_6-31g+(d).log.xz

005043300.td-b3lyp_6-31+g(d).qchem.inp (generated)

005043300.td-b3lyp_6-31+g(d).gjf (generated)

005043300.td-b3lyp_6-31+g(d).firefly.inp (generated)

005043300.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005043300.mol 005043300.PUBCHEM 005043300.mol (via Jmol)
005043326.b3lyp_6-31g(d).inp

005043326.b3lyp_6-31g(d).qchem.inp (generated)

005043326.b3lyp_6-31g(d).gjf (generated)

005043326.b3lyp_6-31g(d).firefly.inp (generated)

005043326.b3lyp_6-31g(d).smash.inp (generated)

005043326.b3lyp_6-31g(d).nwchem.inp (generated) 005043326.b3lyp_6-31g(d).log.xz 005043326.mol 005043326.PUBCHEM 005043326.mol (via Jmol)
005043340.b3lyp_6-31g(d).inp

005043340.b3lyp_6-31g(d).qchem.inp (generated)

005043340.b3lyp_6-31g(d).gjf (generated)

005043340.b3lyp_6-31g(d).firefly.inp (generated)

005043340.b3lyp_6-31g(d).smash.inp (generated)

005043340.b3lyp_6-31g(d).nwchem.inp (generated) 005043340.b3lyp_6-31g(d).log.xz 005043340.td-b3lyp_6-31g+(d).inp 005043340.td-b3lyp_6-31g+(d).log.xz

005043340.td-b3lyp_6-31+g(d).qchem.inp (generated)

005043340.td-b3lyp_6-31+g(d).gjf (generated)

005043340.td-b3lyp_6-31+g(d).firefly.inp (generated)

005043340.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005043340.mol 005043340.PUBCHEM 005043340.mol (via Jmol)
005043349.b3lyp_6-31g(d).inp

005043349.b3lyp_6-31g(d).qchem.inp (generated)

005043349.b3lyp_6-31g(d).gjf (generated)

005043349.b3lyp_6-31g(d).firefly.inp (generated)

005043349.b3lyp_6-31g(d).smash.inp (generated)

005043349.b3lyp_6-31g(d).nwchem.inp (generated) 005043349.b3lyp_6-31g(d).log.xz 005043349.td-b3lyp_6-31g+(d).inp 005043349.td-b3lyp_6-31g+(d).log.xz

005043349.td-b3lyp_6-31+g(d).qchem.inp (generated)

005043349.td-b3lyp_6-31+g(d).gjf (generated)

005043349.td-b3lyp_6-31+g(d).firefly.inp (generated)

005043349.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005043349.mol 005043349.PUBCHEM 005043349.mol (via Jmol)
005043437.b3lyp_6-31g(d).inp

005043437.b3lyp_6-31g(d).qchem.inp (generated)

005043437.b3lyp_6-31g(d).gjf (generated)

005043437.b3lyp_6-31g(d).firefly.inp (generated)

005043437.b3lyp_6-31g(d).smash.inp (generated)

005043437.b3lyp_6-31g(d).nwchem.inp (generated) 005043437.b3lyp_6-31g(d).log.xz 005043437.td-b3lyp_6-31g+(d).inp 005043437.td-b3lyp_6-31g+(d).log.xz

005043437.td-b3lyp_6-31+g(d).qchem.inp (generated)

005043437.td-b3lyp_6-31+g(d).gjf (generated)

005043437.td-b3lyp_6-31+g(d).firefly.inp (generated)

005043437.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005043437.mol 005043437.PUBCHEM 005043437.mol (via Jmol)
005043465.b3lyp_6-31g(d).inp

005043465.b3lyp_6-31g(d).qchem.inp (generated)

005043465.b3lyp_6-31g(d).gjf (generated)

005043465.b3lyp_6-31g(d).firefly.inp (generated)

005043465.b3lyp_6-31g(d).smash.inp (generated)

005043465.b3lyp_6-31g(d).nwchem.inp (generated) 005043465.b3lyp_6-31g(d).log.xz 005043465.mol 005043465.PUBCHEM 005043465.mol (via Jmol)
005043508.b3lyp_6-31g(d).inp

005043508.b3lyp_6-31g(d).qchem.inp (generated)

005043508.b3lyp_6-31g(d).gjf (generated)

005043508.b3lyp_6-31g(d).firefly.inp (generated)

005043508.b3lyp_6-31g(d).smash.inp (generated)

005043508.b3lyp_6-31g(d).nwchem.inp (generated) 005043508.b3lyp_6-31g(d).log.xz 005043508.td-b3lyp_6-31g+(d).inp 005043508.td-b3lyp_6-31g+(d).log.xz

005043508.td-b3lyp_6-31+g(d).qchem.inp (generated)

005043508.td-b3lyp_6-31+g(d).gjf (generated)

005043508.td-b3lyp_6-31+g(d).firefly.inp (generated)

005043508.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005043508.mol 005043508.PUBCHEM 005043508.mol (via Jmol)
005043521.b3lyp_6-31g(d).inp

005043521.b3lyp_6-31g(d).qchem.inp (generated)

005043521.b3lyp_6-31g(d).gjf (generated)

005043521.b3lyp_6-31g(d).firefly.inp (generated)

005043521.b3lyp_6-31g(d).smash.inp (generated)

005043521.b3lyp_6-31g(d).nwchem.inp (generated) 005043521.b3lyp_6-31g(d).log.xz 005043521.td-b3lyp_6-31g+(d).inp 005043521.td-b3lyp_6-31g+(d).log.xz

005043521.td-b3lyp_6-31+g(d).qchem.inp (generated)

005043521.td-b3lyp_6-31+g(d).gjf (generated)

005043521.td-b3lyp_6-31+g(d).firefly.inp (generated)

005043521.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005043521.mol 005043521.PUBCHEM 005043521.mol (via Jmol)
005043522.b3lyp_6-31g(d).inp

005043522.b3lyp_6-31g(d).qchem.inp (generated)

005043522.b3lyp_6-31g(d).gjf (generated)

005043522.b3lyp_6-31g(d).firefly.inp (generated)

005043522.b3lyp_6-31g(d).smash.inp (generated)

005043522.b3lyp_6-31g(d).nwchem.inp (generated) 005043522.b3lyp_6-31g(d).log.xz 005043522.td-b3lyp_6-31g+(d).inp 005043522.td-b3lyp_6-31g+(d).log.xz

005043522.td-b3lyp_6-31+g(d).qchem.inp (generated)

005043522.td-b3lyp_6-31+g(d).gjf (generated)

005043522.td-b3lyp_6-31+g(d).firefly.inp (generated)

005043522.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005043522.mol 005043522.PUBCHEM 005043522.mol (via Jmol)
005043525.b3lyp_6-31g(d).inp

005043525.b3lyp_6-31g(d).qchem.inp (generated)

005043525.b3lyp_6-31g(d).gjf (generated)

005043525.b3lyp_6-31g(d).firefly.inp (generated)

005043525.b3lyp_6-31g(d).smash.inp (generated)

005043525.b3lyp_6-31g(d).nwchem.inp (generated) 005043525.b3lyp_6-31g(d).log.xz 005043525.td-b3lyp_6-31g+(d).inp 005043525.td-b3lyp_6-31g+(d).log.xz

005043525.td-b3lyp_6-31+g(d).qchem.inp (generated)

005043525.td-b3lyp_6-31+g(d).gjf (generated)

005043525.td-b3lyp_6-31+g(d).firefly.inp (generated)

005043525.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005043525.mol 005043525.PUBCHEM 005043525.mol (via Jmol)
005043581.b3lyp_6-31g(d).inp

005043581.b3lyp_6-31g(d).qchem.inp (generated)

005043581.b3lyp_6-31g(d).gjf (generated)

005043581.b3lyp_6-31g(d).firefly.inp (generated)

005043581.b3lyp_6-31g(d).smash.inp (generated)

005043581.b3lyp_6-31g(d).nwchem.inp (generated) 005043581.b3lyp_6-31g(d).log.xz 005043581.td-b3lyp_6-31g+(d).inp 005043581.td-b3lyp_6-31g+(d).log.xz

005043581.td-b3lyp_6-31+g(d).qchem.inp (generated)

005043581.td-b3lyp_6-31+g(d).gjf (generated)

005043581.td-b3lyp_6-31+g(d).firefly.inp (generated)

005043581.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005043581.mol 005043581.PUBCHEM 005043581.mol (via Jmol)
005043614.b3lyp_6-31g(d).inp

005043614.b3lyp_6-31g(d).qchem.inp (generated)

005043614.b3lyp_6-31g(d).gjf (generated)

005043614.b3lyp_6-31g(d).firefly.inp (generated)

005043614.b3lyp_6-31g(d).smash.inp (generated)

005043614.b3lyp_6-31g(d).nwchem.inp (generated) 005043614.b3lyp_6-31g(d).log.xz 005043614.td-b3lyp_6-31g+(d).inp 005043614.td-b3lyp_6-31g+(d).log.xz

005043614.td-b3lyp_6-31+g(d).qchem.inp (generated)

005043614.td-b3lyp_6-31+g(d).gjf (generated)

005043614.td-b3lyp_6-31+g(d).firefly.inp (generated)

005043614.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005043614.mol 005043614.PUBCHEM 005043614.mol (via Jmol)
005043631.b3lyp_6-31g(d).inp

005043631.b3lyp_6-31g(d).qchem.inp (generated)

005043631.b3lyp_6-31g(d).gjf (generated)

005043631.b3lyp_6-31g(d).firefly.inp (generated)

005043631.b3lyp_6-31g(d).smash.inp (generated)

005043631.b3lyp_6-31g(d).nwchem.inp (generated) 005043631.b3lyp_6-31g(d).log.xz 005043631.td-b3lyp_6-31g+(d).inp 005043631.td-b3lyp_6-31g+(d).log.xz

005043631.td-b3lyp_6-31+g(d).qchem.inp (generated)

005043631.td-b3lyp_6-31+g(d).gjf (generated)

005043631.td-b3lyp_6-31+g(d).firefly.inp (generated)

005043631.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005043631.mol 005043631.PUBCHEM 005043631.mol (via Jmol)
005043678.b3lyp_6-31g(d).inp

005043678.b3lyp_6-31g(d).qchem.inp (generated)

005043678.b3lyp_6-31g(d).gjf (generated)

005043678.b3lyp_6-31g(d).firefly.inp (generated)

005043678.b3lyp_6-31g(d).smash.inp (generated)

005043678.b3lyp_6-31g(d).nwchem.inp (generated) 005043678.b3lyp_6-31g(d).log.xz 005043678.td-b3lyp_6-31g+(d).inp 005043678.td-b3lyp_6-31g+(d).log.xz

005043678.td-b3lyp_6-31+g(d).qchem.inp (generated)

005043678.td-b3lyp_6-31+g(d).gjf (generated)

005043678.td-b3lyp_6-31+g(d).firefly.inp (generated)

005043678.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005043678.mol 005043678.PUBCHEM 005043678.mol (via Jmol)
005043679.b3lyp_6-31g(d).inp

005043679.b3lyp_6-31g(d).qchem.inp (generated)

005043679.b3lyp_6-31g(d).gjf (generated)

005043679.b3lyp_6-31g(d).firefly.inp (generated)

005043679.b3lyp_6-31g(d).smash.inp (generated)

005043679.b3lyp_6-31g(d).nwchem.inp (generated) 005043679.b3lyp_6-31g(d).log.xz 005043679.td-b3lyp_6-31g+(d).inp 005043679.td-b3lyp_6-31g+(d).log.xz

005043679.td-b3lyp_6-31+g(d).qchem.inp (generated)

005043679.td-b3lyp_6-31+g(d).gjf (generated)

005043679.td-b3lyp_6-31+g(d).firefly.inp (generated)

005043679.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005043679.mol 005043679.PUBCHEM 005043679.mol (via Jmol)
005043680.b3lyp_6-31g(d).inp

005043680.b3lyp_6-31g(d).qchem.inp (generated)

005043680.b3lyp_6-31g(d).gjf (generated)

005043680.b3lyp_6-31g(d).firefly.inp (generated)

005043680.b3lyp_6-31g(d).smash.inp (generated)

005043680.b3lyp_6-31g(d).nwchem.inp (generated) 005043680.b3lyp_6-31g(d).log.xz 005043680.td-b3lyp_6-31g+(d).inp 005043680.td-b3lyp_6-31g+(d).log.xz

005043680.td-b3lyp_6-31+g(d).qchem.inp (generated)

005043680.td-b3lyp_6-31+g(d).gjf (generated)

005043680.td-b3lyp_6-31+g(d).firefly.inp (generated)

005043680.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005043680.mol 005043680.PUBCHEM 005043680.mol (via Jmol)
005043691.b3lyp_6-31g(d).inp

005043691.b3lyp_6-31g(d).qchem.inp (generated)

005043691.b3lyp_6-31g(d).gjf (generated)

005043691.b3lyp_6-31g(d).firefly.inp (generated)

005043691.b3lyp_6-31g(d).smash.inp (generated)

005043691.b3lyp_6-31g(d).nwchem.inp (generated) 005043691.b3lyp_6-31g(d).log.xz 005043691.td-b3lyp_6-31g+(d).inp 005043691.td-b3lyp_6-31g+(d).log.xz

005043691.td-b3lyp_6-31+g(d).qchem.inp (generated)

005043691.td-b3lyp_6-31+g(d).gjf (generated)

005043691.td-b3lyp_6-31+g(d).firefly.inp (generated)

005043691.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005043691.mol 005043691.PUBCHEM 005043691.mol (via Jmol)
005043694.b3lyp_6-31g(d).inp

005043694.b3lyp_6-31g(d).qchem.inp (generated)

005043694.b3lyp_6-31g(d).gjf (generated)

005043694.b3lyp_6-31g(d).firefly.inp (generated)

005043694.b3lyp_6-31g(d).smash.inp (generated)

005043694.b3lyp_6-31g(d).nwchem.inp (generated) 005043694.b3lyp_6-31g(d).log.xz 005043694.td-b3lyp_6-31g+(d).inp 005043694.td-b3lyp_6-31g+(d).log.xz

005043694.td-b3lyp_6-31+g(d).qchem.inp (generated)

005043694.td-b3lyp_6-31+g(d).gjf (generated)

005043694.td-b3lyp_6-31+g(d).firefly.inp (generated)

005043694.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005043694.mol 005043694.PUBCHEM 005043694.mol (via Jmol)
005043751.b3lyp_6-31g(d).inp

005043751.b3lyp_6-31g(d).qchem.inp (generated)

005043751.b3lyp_6-31g(d).gjf (generated)

005043751.b3lyp_6-31g(d).firefly.inp (generated)

005043751.b3lyp_6-31g(d).smash.inp (generated)

005043751.b3lyp_6-31g(d).nwchem.inp (generated) 005043751.b3lyp_6-31g(d).log.xz 005043751.td-b3lyp_6-31g+(d).inp 005043751.td-b3lyp_6-31g+(d).log.xz

005043751.td-b3lyp_6-31+g(d).qchem.inp (generated)

005043751.td-b3lyp_6-31+g(d).gjf (generated)

005043751.td-b3lyp_6-31+g(d).firefly.inp (generated)

005043751.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005043751.mol 005043751.PUBCHEM 005043751.mol (via Jmol)
005043752.b3lyp_6-31g(d).inp

005043752.b3lyp_6-31g(d).qchem.inp (generated)

005043752.b3lyp_6-31g(d).gjf (generated)

005043752.b3lyp_6-31g(d).firefly.inp (generated)

005043752.b3lyp_6-31g(d).smash.inp (generated)

005043752.b3lyp_6-31g(d).nwchem.inp (generated) 005043752.b3lyp_6-31g(d).log.xz 005043752.mol 005043752.PUBCHEM 005043752.mol (via Jmol)
005043786.b3lyp_6-31g(d).inp

005043786.b3lyp_6-31g(d).qchem.inp (generated)

005043786.b3lyp_6-31g(d).gjf (generated)

005043786.b3lyp_6-31g(d).firefly.inp (generated)

005043786.b3lyp_6-31g(d).smash.inp (generated)

005043786.b3lyp_6-31g(d).nwchem.inp (generated) 005043786.b3lyp_6-31g(d).log.xz 005043786.td-b3lyp_6-31g+(d).inp 005043786.td-b3lyp_6-31g+(d).log.xz

005043786.td-b3lyp_6-31+g(d).qchem.inp (generated)

005043786.td-b3lyp_6-31+g(d).gjf (generated)

005043786.td-b3lyp_6-31+g(d).firefly.inp (generated)

005043786.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005043786.mol 005043786.PUBCHEM 005043786.mol (via Jmol)
005043808.b3lyp_6-31g(d).inp

005043808.b3lyp_6-31g(d).qchem.inp (generated)

005043808.b3lyp_6-31g(d).gjf (generated)

005043808.b3lyp_6-31g(d).firefly.inp (generated)

005043808.b3lyp_6-31g(d).smash.inp (generated)

005043808.b3lyp_6-31g(d).nwchem.inp (generated) 005043808.b3lyp_6-31g(d).log.xz 005043808.td-b3lyp_6-31g+(d).inp 005043808.td-b3lyp_6-31g+(d).log.xz

005043808.td-b3lyp_6-31+g(d).qchem.inp (generated)

005043808.td-b3lyp_6-31+g(d).gjf (generated)

005043808.td-b3lyp_6-31+g(d).firefly.inp (generated)

005043808.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005043808.mol 005043808.PUBCHEM 005043808.mol (via Jmol)
005043809.b3lyp_6-31g(d).inp

005043809.b3lyp_6-31g(d).qchem.inp (generated)

005043809.b3lyp_6-31g(d).gjf (generated)

005043809.b3lyp_6-31g(d).firefly.inp (generated)

005043809.b3lyp_6-31g(d).smash.inp (generated)

005043809.b3lyp_6-31g(d).nwchem.inp (generated) 005043809.b3lyp_6-31g(d).log.xz 005043809.td-b3lyp_6-31g+(d).inp 005043809.td-b3lyp_6-31g+(d).log.xz

005043809.td-b3lyp_6-31+g(d).qchem.inp (generated)

005043809.td-b3lyp_6-31+g(d).gjf (generated)

005043809.td-b3lyp_6-31+g(d).firefly.inp (generated)

005043809.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005043809.mol 005043809.PUBCHEM 005043809.mol (via Jmol)
005043810.b3lyp_6-31g(d).inp

005043810.b3lyp_6-31g(d).qchem.inp (generated)

005043810.b3lyp_6-31g(d).gjf (generated)

005043810.b3lyp_6-31g(d).firefly.inp (generated)

005043810.b3lyp_6-31g(d).smash.inp (generated)

005043810.b3lyp_6-31g(d).nwchem.inp (generated) 005043810.b3lyp_6-31g(d).log.xz 005043810.td-b3lyp_6-31g+(d).inp 005043810.td-b3lyp_6-31g+(d).log.xz

005043810.td-b3lyp_6-31+g(d).qchem.inp (generated)

005043810.td-b3lyp_6-31+g(d).gjf (generated)

005043810.td-b3lyp_6-31+g(d).firefly.inp (generated)

005043810.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005043810.mol 005043810.PUBCHEM 005043810.mol (via Jmol)
005043812.b3lyp_6-31g(d).inp

005043812.b3lyp_6-31g(d).qchem.inp (generated)

005043812.b3lyp_6-31g(d).gjf (generated)

005043812.b3lyp_6-31g(d).firefly.inp (generated)

005043812.b3lyp_6-31g(d).smash.inp (generated)

005043812.b3lyp_6-31g(d).nwchem.inp (generated) 005043812.b3lyp_6-31g(d).log.xz 005043812.mol 005043812.PUBCHEM 005043812.mol (via Jmol)
005043861.b3lyp_6-31g(d).inp

005043861.b3lyp_6-31g(d).qchem.inp (generated)

005043861.b3lyp_6-31g(d).gjf (generated)

005043861.b3lyp_6-31g(d).firefly.inp (generated)

005043861.b3lyp_6-31g(d).smash.inp (generated)

005043861.b3lyp_6-31g(d).nwchem.inp (generated) 005043861.b3lyp_6-31g(d).log.xz 005043861.td-b3lyp_6-31g+(d).inp 005043861.td-b3lyp_6-31g+(d).log.xz

005043861.td-b3lyp_6-31+g(d).qchem.inp (generated)

005043861.td-b3lyp_6-31+g(d).gjf (generated)

005043861.td-b3lyp_6-31+g(d).firefly.inp (generated)

005043861.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005043861.mol 005043861.PUBCHEM 005043861.mol (via Jmol)
005043862.b3lyp_6-31g(d).inp

005043862.b3lyp_6-31g(d).qchem.inp (generated)

005043862.b3lyp_6-31g(d).gjf (generated)

005043862.b3lyp_6-31g(d).firefly.inp (generated)

005043862.b3lyp_6-31g(d).smash.inp (generated)

005043862.b3lyp_6-31g(d).nwchem.inp (generated) 005043862.b3lyp_6-31g(d).log.xz 005043862.td-b3lyp_6-31g+(d).inp 005043862.td-b3lyp_6-31g+(d).log.xz

005043862.td-b3lyp_6-31+g(d).qchem.inp (generated)

005043862.td-b3lyp_6-31+g(d).gjf (generated)

005043862.td-b3lyp_6-31+g(d).firefly.inp (generated)

005043862.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005043862.mol 005043862.PUBCHEM 005043862.mol (via Jmol)
005043863.b3lyp_6-31g(d).inp

005043863.b3lyp_6-31g(d).qchem.inp (generated)

005043863.b3lyp_6-31g(d).gjf (generated)

005043863.b3lyp_6-31g(d).firefly.inp (generated)

005043863.b3lyp_6-31g(d).smash.inp (generated)

005043863.b3lyp_6-31g(d).nwchem.inp (generated) 005043863.b3lyp_6-31g(d).log.xz 005043863.td-b3lyp_6-31g+(d).inp 005043863.td-b3lyp_6-31g+(d).log.xz

005043863.td-b3lyp_6-31+g(d).qchem.inp (generated)

005043863.td-b3lyp_6-31+g(d).gjf (generated)

005043863.td-b3lyp_6-31+g(d).firefly.inp (generated)

005043863.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005043863.mol 005043863.PUBCHEM 005043863.mol (via Jmol)
005043864.b3lyp_6-31g(d).inp

005043864.b3lyp_6-31g(d).qchem.inp (generated)

005043864.b3lyp_6-31g(d).gjf (generated)

005043864.b3lyp_6-31g(d).firefly.inp (generated)

005043864.b3lyp_6-31g(d).smash.inp (generated)

005043864.b3lyp_6-31g(d).nwchem.inp (generated) 005043864.b3lyp_6-31g(d).log.xz 005043864.td-b3lyp_6-31g+(d).inp 005043864.td-b3lyp_6-31g+(d).log.xz

005043864.td-b3lyp_6-31+g(d).qchem.inp (generated)

005043864.td-b3lyp_6-31+g(d).gjf (generated)

005043864.td-b3lyp_6-31+g(d).firefly.inp (generated)

005043864.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005043864.mol 005043864.PUBCHEM 005043864.mol (via Jmol)
005043875.b3lyp_6-31g(d).inp

005043875.b3lyp_6-31g(d).qchem.inp (generated)

005043875.b3lyp_6-31g(d).gjf (generated)

005043875.b3lyp_6-31g(d).firefly.inp (generated)

005043875.b3lyp_6-31g(d).smash.inp (generated)

005043875.b3lyp_6-31g(d).nwchem.inp (generated) 005043875.b3lyp_6-31g(d).log.xz 005043875.td-b3lyp_6-31g+(d).inp 005043875.td-b3lyp_6-31g+(d).log.xz

005043875.td-b3lyp_6-31+g(d).qchem.inp (generated)

005043875.td-b3lyp_6-31+g(d).gjf (generated)

005043875.td-b3lyp_6-31+g(d).firefly.inp (generated)

005043875.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005043875.mol 005043875.PUBCHEM 005043875.mol (via Jmol)
005043947.b3lyp_6-31g(d).inp

005043947.b3lyp_6-31g(d).qchem.inp (generated)

005043947.b3lyp_6-31g(d).gjf (generated)

005043947.b3lyp_6-31g(d).firefly.inp (generated)

005043947.b3lyp_6-31g(d).smash.inp (generated)

005043947.b3lyp_6-31g(d).nwchem.inp (generated) 005043947.b3lyp_6-31g(d).log.xz 005043947.td-b3lyp_6-31g+(d).inp 005043947.td-b3lyp_6-31g+(d).log.xz

005043947.td-b3lyp_6-31+g(d).qchem.inp (generated)

005043947.td-b3lyp_6-31+g(d).gjf (generated)

005043947.td-b3lyp_6-31+g(d).firefly.inp (generated)

005043947.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005043947.mol 005043947.PUBCHEM 005043947.mol (via Jmol)
005043957.b3lyp_6-31g(d).inp

005043957.b3lyp_6-31g(d).qchem.inp (generated)

005043957.b3lyp_6-31g(d).gjf (generated)

005043957.b3lyp_6-31g(d).firefly.inp (generated)

005043957.b3lyp_6-31g(d).smash.inp (generated)

005043957.b3lyp_6-31g(d).nwchem.inp (generated) 005043957.b3lyp_6-31g(d).log.xz 005043957.td-b3lyp_6-31g+(d).inp 005043957.td-b3lyp_6-31g+(d).log.xz

005043957.td-b3lyp_6-31+g(d).qchem.inp (generated)

005043957.td-b3lyp_6-31+g(d).gjf (generated)

005043957.td-b3lyp_6-31+g(d).firefly.inp (generated)

005043957.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005043957.mol 005043957.PUBCHEM 005043957.mol (via Jmol)
005043959.b3lyp_6-31g(d).inp

005043959.b3lyp_6-31g(d).qchem.inp (generated)

005043959.b3lyp_6-31g(d).gjf (generated)

005043959.b3lyp_6-31g(d).firefly.inp (generated)

005043959.b3lyp_6-31g(d).smash.inp (generated)

005043959.b3lyp_6-31g(d).nwchem.inp (generated) 005043959.b3lyp_6-31g(d).log.xz 005043959.td-b3lyp_6-31g+(d).inp 005043959.td-b3lyp_6-31g+(d).log.xz

005043959.td-b3lyp_6-31+g(d).qchem.inp (generated)

005043959.td-b3lyp_6-31+g(d).gjf (generated)

005043959.td-b3lyp_6-31+g(d).firefly.inp (generated)

005043959.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005043959.mol 005043959.PUBCHEM 005043959.mol (via Jmol)
005043968.b3lyp_6-31g(d).inp

005043968.b3lyp_6-31g(d).qchem.inp (generated)

005043968.b3lyp_6-31g(d).gjf (generated)

005043968.b3lyp_6-31g(d).firefly.inp (generated)

005043968.b3lyp_6-31g(d).smash.inp (generated)

005043968.b3lyp_6-31g(d).nwchem.inp (generated) 005043968.b3lyp_6-31g(d).log.xz 005043968.td-b3lyp_6-31g+(d).inp 005043968.td-b3lyp_6-31g+(d).log.xz

005043968.td-b3lyp_6-31+g(d).qchem.inp (generated)

005043968.td-b3lyp_6-31+g(d).gjf (generated)

005043968.td-b3lyp_6-31+g(d).firefly.inp (generated)

005043968.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005043968.mol 005043968.PUBCHEM 005043968.mol (via Jmol)
005044011.b3lyp_6-31g(d).inp

005044011.b3lyp_6-31g(d).qchem.inp (generated)

005044011.b3lyp_6-31g(d).gjf (generated)

005044011.b3lyp_6-31g(d).firefly.inp (generated)

005044011.b3lyp_6-31g(d).smash.inp (generated)

005044011.b3lyp_6-31g(d).nwchem.inp (generated) 005044011.b3lyp_6-31g(d).log.xz 005044011.td-b3lyp_6-31g+(d).inp 005044011.td-b3lyp_6-31g+(d).log.xz

005044011.td-b3lyp_6-31+g(d).qchem.inp (generated)

005044011.td-b3lyp_6-31+g(d).gjf (generated)

005044011.td-b3lyp_6-31+g(d).firefly.inp (generated)

005044011.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005044011.mol 005044011.PUBCHEM 005044011.mol (via Jmol)
005044014.b3lyp_6-31g(d).inp

005044014.b3lyp_6-31g(d).qchem.inp (generated)

005044014.b3lyp_6-31g(d).gjf (generated)

005044014.b3lyp_6-31g(d).firefly.inp (generated)

005044014.b3lyp_6-31g(d).smash.inp (generated)

005044014.b3lyp_6-31g(d).nwchem.inp (generated) 005044014.b3lyp_6-31g(d).log.xz 005044014.td-b3lyp_6-31g+(d).inp 005044014.td-b3lyp_6-31g+(d).log.xz

005044014.td-b3lyp_6-31+g(d).qchem.inp (generated)

005044014.td-b3lyp_6-31+g(d).gjf (generated)

005044014.td-b3lyp_6-31+g(d).firefly.inp (generated)

005044014.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005044014.mol 005044014.PUBCHEM 005044014.mol (via Jmol)
005044038.b3lyp_6-31g(d).inp

005044038.b3lyp_6-31g(d).qchem.inp (generated)

005044038.b3lyp_6-31g(d).gjf (generated)

005044038.b3lyp_6-31g(d).firefly.inp (generated)

005044038.b3lyp_6-31g(d).smash.inp (generated)

005044038.b3lyp_6-31g(d).nwchem.inp (generated) 005044038.b3lyp_6-31g(d).log.xz 005044038.mol 005044038.PUBCHEM 005044038.mol (via Jmol)
005044133.b3lyp_6-31g(d).inp

005044133.b3lyp_6-31g(d).qchem.inp (generated)

005044133.b3lyp_6-31g(d).gjf (generated)

005044133.b3lyp_6-31g(d).firefly.inp (generated)

005044133.b3lyp_6-31g(d).smash.inp (generated)

005044133.b3lyp_6-31g(d).nwchem.inp (generated) 005044133.b3lyp_6-31g(d).log.xz 005044133.td-b3lyp_6-31g+(d).inp 005044133.td-b3lyp_6-31g+(d).log.xz

005044133.td-b3lyp_6-31+g(d).qchem.inp (generated)

005044133.td-b3lyp_6-31+g(d).gjf (generated)

005044133.td-b3lyp_6-31+g(d).firefly.inp (generated)

005044133.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005044133.mol 005044133.PUBCHEM 005044133.mol (via Jmol)
005044134.b3lyp_6-31g(d).inp

005044134.b3lyp_6-31g(d).qchem.inp (generated)

005044134.b3lyp_6-31g(d).gjf (generated)

005044134.b3lyp_6-31g(d).firefly.inp (generated)

005044134.b3lyp_6-31g(d).smash.inp (generated)

005044134.b3lyp_6-31g(d).nwchem.inp (generated) 005044134.b3lyp_6-31g(d).log.xz 005044134.td-b3lyp_6-31g+(d).inp 005044134.td-b3lyp_6-31g+(d).log.xz

005044134.td-b3lyp_6-31+g(d).qchem.inp (generated)

005044134.td-b3lyp_6-31+g(d).gjf (generated)

005044134.td-b3lyp_6-31+g(d).firefly.inp (generated)

005044134.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005044134.mol 005044134.PUBCHEM 005044134.mol (via Jmol)
005044174.b3lyp_6-31g(d).inp

005044174.b3lyp_6-31g(d).qchem.inp (generated)

005044174.b3lyp_6-31g(d).gjf (generated)

005044174.b3lyp_6-31g(d).firefly.inp (generated)

005044174.b3lyp_6-31g(d).smash.inp (generated)

005044174.b3lyp_6-31g(d).nwchem.inp (generated) 005044174.b3lyp_6-31g(d).log.xz 005044174.td-b3lyp_6-31g+(d).inp 005044174.td-b3lyp_6-31g+(d).log.xz

005044174.td-b3lyp_6-31+g(d).qchem.inp (generated)

005044174.td-b3lyp_6-31+g(d).gjf (generated)

005044174.td-b3lyp_6-31+g(d).firefly.inp (generated)

005044174.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005044174.mol 005044174.PUBCHEM 005044174.mol (via Jmol)
005044209.b3lyp_6-31g(d).inp

005044209.b3lyp_6-31g(d).qchem.inp (generated)

005044209.b3lyp_6-31g(d).gjf (generated)

005044209.b3lyp_6-31g(d).firefly.inp (generated)

005044209.b3lyp_6-31g(d).smash.inp (generated)

005044209.b3lyp_6-31g(d).nwchem.inp (generated) 005044209.b3lyp_6-31g(d).log.xz 005044209.td-b3lyp_6-31g+(d).inp 005044209.td-b3lyp_6-31g+(d).log.xz

005044209.td-b3lyp_6-31+g(d).qchem.inp (generated)

005044209.td-b3lyp_6-31+g(d).gjf (generated)

005044209.td-b3lyp_6-31+g(d).firefly.inp (generated)

005044209.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005044209.mol 005044209.PUBCHEM 005044209.mol (via Jmol)
005044215.b3lyp_6-31g(d).inp

005044215.b3lyp_6-31g(d).qchem.inp (generated)

005044215.b3lyp_6-31g(d).gjf (generated)

005044215.b3lyp_6-31g(d).firefly.inp (generated)

005044215.b3lyp_6-31g(d).smash.inp (generated)

005044215.b3lyp_6-31g(d).nwchem.inp (generated) 005044215.b3lyp_6-31g(d).log.xz 005044215.td-b3lyp_6-31g+(d).inp 005044215.td-b3lyp_6-31g+(d).log.xz

005044215.td-b3lyp_6-31+g(d).qchem.inp (generated)

005044215.td-b3lyp_6-31+g(d).gjf (generated)

005044215.td-b3lyp_6-31+g(d).firefly.inp (generated)

005044215.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005044215.mol 005044215.PUBCHEM 005044215.mol (via Jmol)
005044227.b3lyp_6-31g(d).inp

005044227.b3lyp_6-31g(d).qchem.inp (generated)

005044227.b3lyp_6-31g(d).gjf (generated)

005044227.b3lyp_6-31g(d).firefly.inp (generated)

005044227.b3lyp_6-31g(d).smash.inp (generated)

005044227.b3lyp_6-31g(d).nwchem.inp (generated) 005044227.b3lyp_6-31g(d).log.xz 005044227.td-b3lyp_6-31g+(d).inp 005044227.td-b3lyp_6-31g+(d).log.xz

005044227.td-b3lyp_6-31+g(d).qchem.inp (generated)

005044227.td-b3lyp_6-31+g(d).gjf (generated)

005044227.td-b3lyp_6-31+g(d).firefly.inp (generated)

005044227.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005044227.mol 005044227.PUBCHEM 005044227.mol (via Jmol)
005044232.b3lyp_6-31g(d).inp

005044232.b3lyp_6-31g(d).qchem.inp (generated)

005044232.b3lyp_6-31g(d).gjf (generated)

005044232.b3lyp_6-31g(d).firefly.inp (generated)

005044232.b3lyp_6-31g(d).smash.inp (generated)

005044232.b3lyp_6-31g(d).nwchem.inp (generated) 005044232.b3lyp_6-31g(d).log.xz 005044232.td-b3lyp_6-31g+(d).inp 005044232.td-b3lyp_6-31g+(d).log.xz

005044232.td-b3lyp_6-31+g(d).qchem.inp (generated)

005044232.td-b3lyp_6-31+g(d).gjf (generated)

005044232.td-b3lyp_6-31+g(d).firefly.inp (generated)

005044232.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005044232.mol 005044232.PUBCHEM 005044232.mol (via Jmol)
005044255.b3lyp_6-31g(d).inp

005044255.b3lyp_6-31g(d).qchem.inp (generated)

005044255.b3lyp_6-31g(d).gjf (generated)

005044255.b3lyp_6-31g(d).firefly.inp (generated)

005044255.b3lyp_6-31g(d).smash.inp (generated)

005044255.b3lyp_6-31g(d).nwchem.inp (generated) 005044255.b3lyp_6-31g(d).log.xz 005044255.td-b3lyp_6-31g+(d).inp 005044255.td-b3lyp_6-31g+(d).log.xz

005044255.td-b3lyp_6-31+g(d).qchem.inp (generated)

005044255.td-b3lyp_6-31+g(d).gjf (generated)

005044255.td-b3lyp_6-31+g(d).firefly.inp (generated)

005044255.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005044255.mol 005044255.PUBCHEM 005044255.mol (via Jmol)
005044262.b3lyp_6-31g(d).inp

005044262.b3lyp_6-31g(d).qchem.inp (generated)

005044262.b3lyp_6-31g(d).gjf (generated)

005044262.b3lyp_6-31g(d).firefly.inp (generated)

005044262.b3lyp_6-31g(d).smash.inp (generated)

005044262.b3lyp_6-31g(d).nwchem.inp (generated) 005044262.b3lyp_6-31g(d).log.xz 005044262.td-b3lyp_6-31g+(d).inp 005044262.td-b3lyp_6-31g+(d).log.xz

005044262.td-b3lyp_6-31+g(d).qchem.inp (generated)

005044262.td-b3lyp_6-31+g(d).gjf (generated)

005044262.td-b3lyp_6-31+g(d).firefly.inp (generated)

005044262.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005044262.mol 005044262.PUBCHEM 005044262.mol (via Jmol)
005044386.b3lyp_6-31g(d).inp

005044386.b3lyp_6-31g(d).qchem.inp (generated)

005044386.b3lyp_6-31g(d).gjf (generated)

005044386.b3lyp_6-31g(d).firefly.inp (generated)

005044386.b3lyp_6-31g(d).smash.inp (generated)

005044386.b3lyp_6-31g(d).nwchem.inp (generated) 005044386.b3lyp_6-31g(d).log.xz 005044386.mol 005044386.PUBCHEM 005044386.mol (via Jmol)
005044387.b3lyp_6-31g(d).inp

005044387.b3lyp_6-31g(d).qchem.inp (generated)

005044387.b3lyp_6-31g(d).gjf (generated)

005044387.b3lyp_6-31g(d).firefly.inp (generated)

005044387.b3lyp_6-31g(d).smash.inp (generated)

005044387.b3lyp_6-31g(d).nwchem.inp (generated) 005044387.b3lyp_6-31g(d).log.xz 005044387.td-b3lyp_6-31g+(d).inp 005044387.td-b3lyp_6-31g+(d).log.xz

005044387.td-b3lyp_6-31+g(d).qchem.inp (generated)

005044387.td-b3lyp_6-31+g(d).gjf (generated)

005044387.td-b3lyp_6-31+g(d).firefly.inp (generated)

005044387.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005044387.mol 005044387.PUBCHEM 005044387.mol (via Jmol)
005044432.b3lyp_6-31g(d).inp

005044432.b3lyp_6-31g(d).qchem.inp (generated)

005044432.b3lyp_6-31g(d).gjf (generated)

005044432.b3lyp_6-31g(d).firefly.inp (generated)

005044432.b3lyp_6-31g(d).smash.inp (generated)

005044432.b3lyp_6-31g(d).nwchem.inp (generated) 005044432.b3lyp_6-31g(d).log.xz 005044432.td-b3lyp_6-31g+(d).inp 005044432.td-b3lyp_6-31g+(d).log.xz

005044432.td-b3lyp_6-31+g(d).qchem.inp (generated)

005044432.td-b3lyp_6-31+g(d).gjf (generated)

005044432.td-b3lyp_6-31+g(d).firefly.inp (generated)

005044432.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005044432.mol 005044432.PUBCHEM 005044432.mol (via Jmol)
005044459.b3lyp_6-31g(d).inp

005044459.b3lyp_6-31g(d).qchem.inp (generated)

005044459.b3lyp_6-31g(d).gjf (generated)

005044459.b3lyp_6-31g(d).firefly.inp (generated)

005044459.b3lyp_6-31g(d).smash.inp (generated)

005044459.b3lyp_6-31g(d).nwchem.inp (generated) 005044459.b3lyp_6-31g(d).log.xz 005044459.td-b3lyp_6-31g+(d).inp 005044459.td-b3lyp_6-31g+(d).log.xz

005044459.td-b3lyp_6-31+g(d).qchem.inp (generated)

005044459.td-b3lyp_6-31+g(d).gjf (generated)

005044459.td-b3lyp_6-31+g(d).firefly.inp (generated)

005044459.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005044459.mol 005044459.PUBCHEM 005044459.mol (via Jmol)
005044472.b3lyp_6-31g(d).inp

005044472.b3lyp_6-31g(d).qchem.inp (generated)

005044472.b3lyp_6-31g(d).gjf (generated)

005044472.b3lyp_6-31g(d).firefly.inp (generated)

005044472.b3lyp_6-31g(d).smash.inp (generated)

005044472.b3lyp_6-31g(d).nwchem.inp (generated) 005044472.b3lyp_6-31g(d).log.xz 005044472.td-b3lyp_6-31g+(d).inp 005044472.td-b3lyp_6-31g+(d).log.xz

005044472.td-b3lyp_6-31+g(d).qchem.inp (generated)

005044472.td-b3lyp_6-31+g(d).gjf (generated)

005044472.td-b3lyp_6-31+g(d).firefly.inp (generated)

005044472.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005044472.mol 005044472.PUBCHEM 005044472.mol (via Jmol)
005044482.b3lyp_6-31g(d).inp

005044482.b3lyp_6-31g(d).qchem.inp (generated)

005044482.b3lyp_6-31g(d).gjf (generated)

005044482.b3lyp_6-31g(d).firefly.inp (generated)

005044482.b3lyp_6-31g(d).smash.inp (generated)

005044482.b3lyp_6-31g(d).nwchem.inp (generated) 005044482.b3lyp_6-31g(d).log.xz 005044482.td-b3lyp_6-31g+(d).inp 005044482.td-b3lyp_6-31g+(d).log.xz

005044482.td-b3lyp_6-31+g(d).qchem.inp (generated)

005044482.td-b3lyp_6-31+g(d).gjf (generated)

005044482.td-b3lyp_6-31+g(d).firefly.inp (generated)

005044482.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005044482.mol 005044482.PUBCHEM 005044482.mol (via Jmol)
005044587.b3lyp_6-31g(d).inp

005044587.b3lyp_6-31g(d).qchem.inp (generated)

005044587.b3lyp_6-31g(d).gjf (generated)

005044587.b3lyp_6-31g(d).firefly.inp (generated)

005044587.b3lyp_6-31g(d).smash.inp (generated)

005044587.b3lyp_6-31g(d).nwchem.inp (generated) 005044587.b3lyp_6-31g(d).log.xz 005044587.td-b3lyp_6-31g+(d).inp 005044587.td-b3lyp_6-31g+(d).log.xz

005044587.td-b3lyp_6-31+g(d).qchem.inp (generated)

005044587.td-b3lyp_6-31+g(d).gjf (generated)

005044587.td-b3lyp_6-31+g(d).firefly.inp (generated)

005044587.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005044587.mol 005044587.PUBCHEM 005044587.mol (via Jmol)
005044848.b3lyp_6-31g(d).inp

005044848.b3lyp_6-31g(d).qchem.inp (generated)

005044848.b3lyp_6-31g(d).gjf (generated)

005044848.b3lyp_6-31g(d).firefly.inp (generated)

005044848.b3lyp_6-31g(d).smash.inp (generated)

005044848.b3lyp_6-31g(d).nwchem.inp (generated) 005044848.b3lyp_6-31g(d).log.xz 005044848.td-b3lyp_6-31g+(d).inp 005044848.td-b3lyp_6-31g+(d).log.xz

005044848.td-b3lyp_6-31+g(d).qchem.inp (generated)

005044848.td-b3lyp_6-31+g(d).gjf (generated)

005044848.td-b3lyp_6-31+g(d).firefly.inp (generated)

005044848.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005044848.mol 005044848.PUBCHEM 005044848.mol (via Jmol)
005044849.b3lyp_6-31g(d).inp

005044849.b3lyp_6-31g(d).qchem.inp (generated)

005044849.b3lyp_6-31g(d).gjf (generated)

005044849.b3lyp_6-31g(d).firefly.inp (generated)

005044849.b3lyp_6-31g(d).smash.inp (generated)

005044849.b3lyp_6-31g(d).nwchem.inp (generated) 005044849.b3lyp_6-31g(d).log.xz 005044849.td-b3lyp_6-31g+(d).inp 005044849.td-b3lyp_6-31g+(d).log.xz

005044849.td-b3lyp_6-31+g(d).qchem.inp (generated)

005044849.td-b3lyp_6-31+g(d).gjf (generated)

005044849.td-b3lyp_6-31+g(d).firefly.inp (generated)

005044849.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005044849.mol 005044849.PUBCHEM 005044849.mol (via Jmol)
005044851.b3lyp_6-31g(d).inp

005044851.b3lyp_6-31g(d).qchem.inp (generated)

005044851.b3lyp_6-31g(d).gjf (generated)

005044851.b3lyp_6-31g(d).firefly.inp (generated)

005044851.b3lyp_6-31g(d).smash.inp (generated)

005044851.b3lyp_6-31g(d).nwchem.inp (generated) 005044851.b3lyp_6-31g(d).log.xz 005044851.td-b3lyp_6-31g+(d).inp 005044851.td-b3lyp_6-31g+(d).log.xz

005044851.td-b3lyp_6-31+g(d).qchem.inp (generated)

005044851.td-b3lyp_6-31+g(d).gjf (generated)

005044851.td-b3lyp_6-31+g(d).firefly.inp (generated)

005044851.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005044851.mol 005044851.PUBCHEM 005044851.mol (via Jmol)
005044883.b3lyp_6-31g(d).inp

005044883.b3lyp_6-31g(d).qchem.inp (generated)

005044883.b3lyp_6-31g(d).gjf (generated)

005044883.b3lyp_6-31g(d).firefly.inp (generated)

005044883.b3lyp_6-31g(d).smash.inp (generated)

005044883.b3lyp_6-31g(d).nwchem.inp (generated) 005044883.b3lyp_6-31g(d).log.xz 005044883.td-b3lyp_6-31g+(d).inp 005044883.td-b3lyp_6-31g+(d).log.xz

005044883.td-b3lyp_6-31+g(d).qchem.inp (generated)

005044883.td-b3lyp_6-31+g(d).gjf (generated)

005044883.td-b3lyp_6-31+g(d).firefly.inp (generated)

005044883.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005044883.mol 005044883.PUBCHEM 005044883.mol (via Jmol)
005044951.b3lyp_6-31g(d).inp

005044951.b3lyp_6-31g(d).qchem.inp (generated)

005044951.b3lyp_6-31g(d).gjf (generated)

005044951.b3lyp_6-31g(d).firefly.inp (generated)

005044951.b3lyp_6-31g(d).smash.inp (generated)

005044951.b3lyp_6-31g(d).nwchem.inp (generated) 005044951.b3lyp_6-31g(d).log.xz 005044951.td-b3lyp_6-31g+(d).inp 005044951.td-b3lyp_6-31g+(d).log.xz

005044951.td-b3lyp_6-31+g(d).qchem.inp (generated)

005044951.td-b3lyp_6-31+g(d).gjf (generated)

005044951.td-b3lyp_6-31+g(d).firefly.inp (generated)

005044951.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005044951.mol 005044951.PUBCHEM 005044951.mol (via Jmol)
005044958.b3lyp_6-31g(d).inp

005044958.b3lyp_6-31g(d).qchem.inp (generated)

005044958.b3lyp_6-31g(d).gjf (generated)

005044958.b3lyp_6-31g(d).firefly.inp (generated)

005044958.b3lyp_6-31g(d).smash.inp (generated)

005044958.b3lyp_6-31g(d).nwchem.inp (generated) 005044958.b3lyp_6-31g(d).log.xz 005044958.td-b3lyp_6-31g+(d).inp 005044958.td-b3lyp_6-31g+(d).log.xz

005044958.td-b3lyp_6-31+g(d).qchem.inp (generated)

005044958.td-b3lyp_6-31+g(d).gjf (generated)

005044958.td-b3lyp_6-31+g(d).firefly.inp (generated)

005044958.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005044958.mol 005044958.PUBCHEM 005044958.mol (via Jmol)
005044960.b3lyp_6-31g(d).inp

005044960.b3lyp_6-31g(d).qchem.inp (generated)

005044960.b3lyp_6-31g(d).gjf (generated)

005044960.b3lyp_6-31g(d).firefly.inp (generated)

005044960.b3lyp_6-31g(d).smash.inp (generated)

005044960.b3lyp_6-31g(d).nwchem.inp (generated) 005044960.b3lyp_6-31g(d).log.xz 005044960.mol 005044960.PUBCHEM 005044960.mol (via Jmol)
005044965.b3lyp_6-31g(d).inp

005044965.b3lyp_6-31g(d).qchem.inp (generated)

005044965.b3lyp_6-31g(d).gjf (generated)

005044965.b3lyp_6-31g(d).firefly.inp (generated)

005044965.b3lyp_6-31g(d).smash.inp (generated)

005044965.b3lyp_6-31g(d).nwchem.inp (generated) 005044965.b3lyp_6-31g(d).log.xz 005044965.td-b3lyp_6-31g+(d).inp 005044965.td-b3lyp_6-31g+(d).log.xz

005044965.td-b3lyp_6-31+g(d).qchem.inp (generated)

005044965.td-b3lyp_6-31+g(d).gjf (generated)

005044965.td-b3lyp_6-31+g(d).firefly.inp (generated)

005044965.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005044965.mol 005044965.PUBCHEM 005044965.mol (via Jmol)
005045014.b3lyp_6-31g(d).inp

005045014.b3lyp_6-31g(d).qchem.inp (generated)

005045014.b3lyp_6-31g(d).gjf (generated)

005045014.b3lyp_6-31g(d).firefly.inp (generated)

005045014.b3lyp_6-31g(d).smash.inp (generated)

005045014.b3lyp_6-31g(d).nwchem.inp (generated) 005045014.b3lyp_6-31g(d).log.xz 005045014.td-b3lyp_6-31g+(d).inp 005045014.td-b3lyp_6-31g+(d).log.xz

005045014.td-b3lyp_6-31+g(d).qchem.inp (generated)

005045014.td-b3lyp_6-31+g(d).gjf (generated)

005045014.td-b3lyp_6-31+g(d).firefly.inp (generated)

005045014.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005045014.mol 005045014.PUBCHEM 005045014.mol (via Jmol)
005045017.b3lyp_6-31g(d).inp

005045017.b3lyp_6-31g(d).qchem.inp (generated)

005045017.b3lyp_6-31g(d).gjf (generated)

005045017.b3lyp_6-31g(d).firefly.inp (generated)

005045017.b3lyp_6-31g(d).smash.inp (generated)

005045017.b3lyp_6-31g(d).nwchem.inp (generated) 005045017.b3lyp_6-31g(d).log.xz 005045017.td-b3lyp_6-31g+(d).inp 005045017.td-b3lyp_6-31g+(d).log.xz

005045017.td-b3lyp_6-31+g(d).qchem.inp (generated)

005045017.td-b3lyp_6-31+g(d).gjf (generated)

005045017.td-b3lyp_6-31+g(d).firefly.inp (generated)

005045017.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005045017.mol 005045017.PUBCHEM 005045017.mol (via Jmol)
005045020.b3lyp_6-31g(d).inp

005045020.b3lyp_6-31g(d).qchem.inp (generated)

005045020.b3lyp_6-31g(d).gjf (generated)

005045020.b3lyp_6-31g(d).firefly.inp (generated)

005045020.b3lyp_6-31g(d).smash.inp (generated)

005045020.b3lyp_6-31g(d).nwchem.inp (generated) 005045020.b3lyp_6-31g(d).log.xz 005045020.mol 005045020.PUBCHEM 005045020.mol (via Jmol)
005045025.b3lyp_6-31g(d).inp

005045025.b3lyp_6-31g(d).qchem.inp (generated)

005045025.b3lyp_6-31g(d).gjf (generated)

005045025.b3lyp_6-31g(d).firefly.inp (generated)

005045025.b3lyp_6-31g(d).smash.inp (generated)

005045025.b3lyp_6-31g(d).nwchem.inp (generated) 005045025.b3lyp_6-31g(d).log.xz 005045025.td-b3lyp_6-31g+(d).inp 005045025.td-b3lyp_6-31g+(d).log.xz

005045025.td-b3lyp_6-31+g(d).qchem.inp (generated)

005045025.td-b3lyp_6-31+g(d).gjf (generated)

005045025.td-b3lyp_6-31+g(d).firefly.inp (generated)

005045025.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005045025.mol 005045025.PUBCHEM 005045025.mol (via Jmol)
005045112.b3lyp_6-31g(d).inp

005045112.b3lyp_6-31g(d).qchem.inp (generated)

005045112.b3lyp_6-31g(d).gjf (generated)

005045112.b3lyp_6-31g(d).firefly.inp (generated)

005045112.b3lyp_6-31g(d).smash.inp (generated)

005045112.b3lyp_6-31g(d).nwchem.inp (generated) 005045112.b3lyp_6-31g(d).log.xz 005045112.td-b3lyp_6-31g+(d).inp 005045112.td-b3lyp_6-31g+(d).log.xz

005045112.td-b3lyp_6-31+g(d).qchem.inp (generated)

005045112.td-b3lyp_6-31+g(d).gjf (generated)

005045112.td-b3lyp_6-31+g(d).firefly.inp (generated)

005045112.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005045112.mol 005045112.PUBCHEM 005045112.mol (via Jmol)
005045115.b3lyp_6-31g(d).inp

005045115.b3lyp_6-31g(d).qchem.inp (generated)

005045115.b3lyp_6-31g(d).gjf (generated)

005045115.b3lyp_6-31g(d).firefly.inp (generated)

005045115.b3lyp_6-31g(d).smash.inp (generated)

005045115.b3lyp_6-31g(d).nwchem.inp (generated) 005045115.b3lyp_6-31g(d).log.xz 005045115.td-b3lyp_6-31g+(d).inp 005045115.td-b3lyp_6-31g+(d).log.xz

005045115.td-b3lyp_6-31+g(d).qchem.inp (generated)

005045115.td-b3lyp_6-31+g(d).gjf (generated)

005045115.td-b3lyp_6-31+g(d).firefly.inp (generated)

005045115.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005045115.mol 005045115.PUBCHEM 005045115.mol (via Jmol)
005045118.b3lyp_6-31g(d).inp

005045118.b3lyp_6-31g(d).qchem.inp (generated)

005045118.b3lyp_6-31g(d).gjf (generated)

005045118.b3lyp_6-31g(d).firefly.inp (generated)

005045118.b3lyp_6-31g(d).smash.inp (generated)

005045118.b3lyp_6-31g(d).nwchem.inp (generated) 005045118.b3lyp_6-31g(d).log.xz 005045118.td-b3lyp_6-31g+(d).inp 005045118.td-b3lyp_6-31g+(d).log.xz

005045118.td-b3lyp_6-31+g(d).qchem.inp (generated)

005045118.td-b3lyp_6-31+g(d).gjf (generated)

005045118.td-b3lyp_6-31+g(d).firefly.inp (generated)

005045118.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005045118.mol 005045118.PUBCHEM 005045118.mol (via Jmol)
005045140.b3lyp_6-31g(d).inp

005045140.b3lyp_6-31g(d).qchem.inp (generated)

005045140.b3lyp_6-31g(d).gjf (generated)

005045140.b3lyp_6-31g(d).firefly.inp (generated)

005045140.b3lyp_6-31g(d).smash.inp (generated)

005045140.b3lyp_6-31g(d).nwchem.inp (generated) 005045140.b3lyp_6-31g(d).log.xz 005045140.td-b3lyp_6-31g+(d).inp 005045140.td-b3lyp_6-31g+(d).log.xz

005045140.td-b3lyp_6-31+g(d).qchem.inp (generated)

005045140.td-b3lyp_6-31+g(d).gjf (generated)

005045140.td-b3lyp_6-31+g(d).firefly.inp (generated)

005045140.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005045140.mol 005045140.PUBCHEM 005045140.mol (via Jmol)
005045203.b3lyp_6-31g(d).inp

005045203.b3lyp_6-31g(d).qchem.inp (generated)

005045203.b3lyp_6-31g(d).gjf (generated)

005045203.b3lyp_6-31g(d).firefly.inp (generated)

005045203.b3lyp_6-31g(d).smash.inp (generated)

005045203.b3lyp_6-31g(d).nwchem.inp (generated) 005045203.b3lyp_6-31g(d).log.xz 005045203.td-b3lyp_6-31g+(d).inp 005045203.td-b3lyp_6-31g+(d).log.xz

005045203.td-b3lyp_6-31+g(d).qchem.inp (generated)

005045203.td-b3lyp_6-31+g(d).gjf (generated)

005045203.td-b3lyp_6-31+g(d).firefly.inp (generated)

005045203.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005045203.mol 005045203.PUBCHEM 005045203.mol (via Jmol)
005045248.b3lyp_6-31g(d).inp

005045248.b3lyp_6-31g(d).qchem.inp (generated)

005045248.b3lyp_6-31g(d).gjf (generated)

005045248.b3lyp_6-31g(d).firefly.inp (generated)

005045248.b3lyp_6-31g(d).smash.inp (generated)

005045248.b3lyp_6-31g(d).nwchem.inp (generated) 005045248.b3lyp_6-31g(d).log.xz 005045248.td-b3lyp_6-31g+(d).inp 005045248.td-b3lyp_6-31g+(d).log.xz

005045248.td-b3lyp_6-31+g(d).qchem.inp (generated)

005045248.td-b3lyp_6-31+g(d).gjf (generated)

005045248.td-b3lyp_6-31+g(d).firefly.inp (generated)

005045248.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005045248.mol 005045248.PUBCHEM 005045248.mol (via Jmol)
005045258.b3lyp_6-31g(d).inp

005045258.b3lyp_6-31g(d).qchem.inp (generated)

005045258.b3lyp_6-31g(d).gjf (generated)

005045258.b3lyp_6-31g(d).firefly.inp (generated)

005045258.b3lyp_6-31g(d).smash.inp (generated)

005045258.b3lyp_6-31g(d).nwchem.inp (generated) 005045258.b3lyp_6-31g(d).log.xz 005045258.td-b3lyp_6-31g+(d).inp 005045258.td-b3lyp_6-31g+(d).log.xz

005045258.td-b3lyp_6-31+g(d).qchem.inp (generated)

005045258.td-b3lyp_6-31+g(d).gjf (generated)

005045258.td-b3lyp_6-31+g(d).firefly.inp (generated)

005045258.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005045258.mol 005045258.PUBCHEM 005045258.mol (via Jmol)
005045268.b3lyp_6-31g(d).inp

005045268.b3lyp_6-31g(d).qchem.inp (generated)

005045268.b3lyp_6-31g(d).gjf (generated)

005045268.b3lyp_6-31g(d).firefly.inp (generated)

005045268.b3lyp_6-31g(d).smash.inp (generated)

005045268.b3lyp_6-31g(d).nwchem.inp (generated) 005045268.b3lyp_6-31g(d).log.xz 005045268.td-b3lyp_6-31g+(d).inp 005045268.td-b3lyp_6-31g+(d).log.xz

005045268.td-b3lyp_6-31+g(d).qchem.inp (generated)

005045268.td-b3lyp_6-31+g(d).gjf (generated)

005045268.td-b3lyp_6-31+g(d).firefly.inp (generated)

005045268.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005045268.mol 005045268.PUBCHEM 005045268.mol (via Jmol)
005045269.b3lyp_6-31g(d).inp

005045269.b3lyp_6-31g(d).qchem.inp (generated)

005045269.b3lyp_6-31g(d).gjf (generated)

005045269.b3lyp_6-31g(d).firefly.inp (generated)

005045269.b3lyp_6-31g(d).smash.inp (generated)

005045269.b3lyp_6-31g(d).nwchem.inp (generated) 005045269.b3lyp_6-31g(d).log.xz 005045269.td-b3lyp_6-31g+(d).inp 005045269.td-b3lyp_6-31g+(d).log.xz

005045269.td-b3lyp_6-31+g(d).qchem.inp (generated)

005045269.td-b3lyp_6-31+g(d).gjf (generated)

005045269.td-b3lyp_6-31+g(d).firefly.inp (generated)

005045269.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005045269.mol 005045269.PUBCHEM 005045269.mol (via Jmol)
005045327.b3lyp_6-31g(d).inp

005045327.b3lyp_6-31g(d).qchem.inp (generated)

005045327.b3lyp_6-31g(d).gjf (generated)

005045327.b3lyp_6-31g(d).firefly.inp (generated)

005045327.b3lyp_6-31g(d).smash.inp (generated)

005045327.b3lyp_6-31g(d).nwchem.inp (generated) 005045327.b3lyp_6-31g(d).log.xz 005045327.td-b3lyp_6-31g+(d).inp 005045327.td-b3lyp_6-31g+(d).log.xz

005045327.td-b3lyp_6-31+g(d).qchem.inp (generated)

005045327.td-b3lyp_6-31+g(d).gjf (generated)

005045327.td-b3lyp_6-31+g(d).firefly.inp (generated)

005045327.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005045327.mol 005045327.PUBCHEM 005045327.mol (via Jmol)
005045332.b3lyp_6-31g(d).inp

005045332.b3lyp_6-31g(d).qchem.inp (generated)

005045332.b3lyp_6-31g(d).gjf (generated)

005045332.b3lyp_6-31g(d).firefly.inp (generated)

005045332.b3lyp_6-31g(d).smash.inp (generated)

005045332.b3lyp_6-31g(d).nwchem.inp (generated) 005045332.b3lyp_6-31g(d).log.xz 005045332.td-b3lyp_6-31g+(d).inp 005045332.td-b3lyp_6-31g+(d).log.xz

005045332.td-b3lyp_6-31+g(d).qchem.inp (generated)

005045332.td-b3lyp_6-31+g(d).gjf (generated)

005045332.td-b3lyp_6-31+g(d).firefly.inp (generated)

005045332.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005045332.mol 005045332.PUBCHEM 005045332.mol (via Jmol)
005045335.b3lyp_6-31g(d).inp

005045335.b3lyp_6-31g(d).qchem.inp (generated)

005045335.b3lyp_6-31g(d).gjf (generated)

005045335.b3lyp_6-31g(d).firefly.inp (generated)

005045335.b3lyp_6-31g(d).smash.inp (generated)

005045335.b3lyp_6-31g(d).nwchem.inp (generated) 005045335.b3lyp_6-31g(d).log.xz 005045335.td-b3lyp_6-31g+(d).inp 005045335.td-b3lyp_6-31g+(d).log.xz

005045335.td-b3lyp_6-31+g(d).qchem.inp (generated)

005045335.td-b3lyp_6-31+g(d).gjf (generated)

005045335.td-b3lyp_6-31+g(d).firefly.inp (generated)

005045335.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005045335.mol 005045335.PUBCHEM 005045335.mol (via Jmol)
005045338.b3lyp_6-31g(d).inp

005045338.b3lyp_6-31g(d).qchem.inp (generated)

005045338.b3lyp_6-31g(d).gjf (generated)

005045338.b3lyp_6-31g(d).firefly.inp (generated)

005045338.b3lyp_6-31g(d).smash.inp (generated)

005045338.b3lyp_6-31g(d).nwchem.inp (generated) 005045338.b3lyp_6-31g(d).log.xz 005045338.td-b3lyp_6-31g+(d).inp 005045338.td-b3lyp_6-31g+(d).log.xz

005045338.td-b3lyp_6-31+g(d).qchem.inp (generated)

005045338.td-b3lyp_6-31+g(d).gjf (generated)

005045338.td-b3lyp_6-31+g(d).firefly.inp (generated)

005045338.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005045338.mol 005045338.PUBCHEM 005045338.mol (via Jmol)
005045395.b3lyp_6-31g(d).inp

005045395.b3lyp_6-31g(d).qchem.inp (generated)

005045395.b3lyp_6-31g(d).gjf (generated)

005045395.b3lyp_6-31g(d).firefly.inp (generated)

005045395.b3lyp_6-31g(d).smash.inp (generated)

005045395.b3lyp_6-31g(d).nwchem.inp (generated) 005045395.b3lyp_6-31g(d).log.xz 005045395.td-b3lyp_6-31g+(d).inp 005045395.td-b3lyp_6-31g+(d).log.xz

005045395.td-b3lyp_6-31+g(d).qchem.inp (generated)

005045395.td-b3lyp_6-31+g(d).gjf (generated)

005045395.td-b3lyp_6-31+g(d).firefly.inp (generated)

005045395.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005045395.mol 005045395.PUBCHEM 005045395.mol (via Jmol)
005045411.b3lyp_6-31g(d).inp

005045411.b3lyp_6-31g(d).qchem.inp (generated)

005045411.b3lyp_6-31g(d).gjf (generated)

005045411.b3lyp_6-31g(d).firefly.inp (generated)

005045411.b3lyp_6-31g(d).smash.inp (generated)

005045411.b3lyp_6-31g(d).nwchem.inp (generated) 005045411.b3lyp_6-31g(d).log.xz 005045411.mol 005045411.PUBCHEM 005045411.mol (via Jmol)
005045484.b3lyp_6-31g(d).inp

005045484.b3lyp_6-31g(d).qchem.inp (generated)

005045484.b3lyp_6-31g(d).gjf (generated)

005045484.b3lyp_6-31g(d).firefly.inp (generated)

005045484.b3lyp_6-31g(d).smash.inp (generated)

005045484.b3lyp_6-31g(d).nwchem.inp (generated) 005045484.b3lyp_6-31g(d).log.xz 005045484.td-b3lyp_6-31g+(d).inp 005045484.td-b3lyp_6-31g+(d).log.xz

005045484.td-b3lyp_6-31+g(d).qchem.inp (generated)

005045484.td-b3lyp_6-31+g(d).gjf (generated)

005045484.td-b3lyp_6-31+g(d).firefly.inp (generated)

005045484.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005045484.mol 005045484.PUBCHEM 005045484.mol (via Jmol)
005045487.b3lyp_6-31g(d).inp

005045487.b3lyp_6-31g(d).qchem.inp (generated)

005045487.b3lyp_6-31g(d).gjf (generated)

005045487.b3lyp_6-31g(d).firefly.inp (generated)

005045487.b3lyp_6-31g(d).smash.inp (generated)

005045487.b3lyp_6-31g(d).nwchem.inp (generated) 005045487.b3lyp_6-31g(d).log.xz 005045487.td-b3lyp_6-31g+(d).inp 005045487.td-b3lyp_6-31g+(d).log.xz

005045487.td-b3lyp_6-31+g(d).qchem.inp (generated)

005045487.td-b3lyp_6-31+g(d).gjf (generated)

005045487.td-b3lyp_6-31+g(d).firefly.inp (generated)

005045487.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005045487.mol 005045487.PUBCHEM 005045487.mol (via Jmol)
005045654.b3lyp_6-31g(d).inp

005045654.b3lyp_6-31g(d).qchem.inp (generated)

005045654.b3lyp_6-31g(d).gjf (generated)

005045654.b3lyp_6-31g(d).firefly.inp (generated)

005045654.b3lyp_6-31g(d).smash.inp (generated)

005045654.b3lyp_6-31g(d).nwchem.inp (generated) 005045654.b3lyp_6-31g(d).log.xz 005045654.td-b3lyp_6-31g+(d).inp 005045654.td-b3lyp_6-31g+(d).log.xz

005045654.td-b3lyp_6-31+g(d).qchem.inp (generated)

005045654.td-b3lyp_6-31+g(d).gjf (generated)

005045654.td-b3lyp_6-31+g(d).firefly.inp (generated)

005045654.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005045654.mol 005045654.PUBCHEM 005045654.mol (via Jmol)
005045697.b3lyp_6-31g(d).inp

005045697.b3lyp_6-31g(d).qchem.inp (generated)

005045697.b3lyp_6-31g(d).gjf (generated)

005045697.b3lyp_6-31g(d).firefly.inp (generated)

005045697.b3lyp_6-31g(d).smash.inp (generated)

005045697.b3lyp_6-31g(d).nwchem.inp (generated) 005045697.b3lyp_6-31g(d).log.xz 005045697.td-b3lyp_6-31g+(d).inp 005045697.td-b3lyp_6-31g+(d).log.xz

005045697.td-b3lyp_6-31+g(d).qchem.inp (generated)

005045697.td-b3lyp_6-31+g(d).gjf (generated)

005045697.td-b3lyp_6-31+g(d).firefly.inp (generated)

005045697.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005045697.mol 005045697.PUBCHEM 005045697.mol (via Jmol)
005045701.b3lyp_6-31g(d).inp

005045701.b3lyp_6-31g(d).qchem.inp (generated)

005045701.b3lyp_6-31g(d).gjf (generated)

005045701.b3lyp_6-31g(d).firefly.inp (generated)

005045701.b3lyp_6-31g(d).smash.inp (generated)

005045701.b3lyp_6-31g(d).nwchem.inp (generated) 005045701.b3lyp_6-31g(d).log.xz 005045701.td-b3lyp_6-31g+(d).inp 005045701.td-b3lyp_6-31g+(d).log.xz

005045701.td-b3lyp_6-31+g(d).qchem.inp (generated)

005045701.td-b3lyp_6-31+g(d).gjf (generated)

005045701.td-b3lyp_6-31+g(d).firefly.inp (generated)

005045701.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005045701.mol 005045701.PUBCHEM 005045701.mol (via Jmol)
005045783.b3lyp_6-31g(d).inp

005045783.b3lyp_6-31g(d).qchem.inp (generated)

005045783.b3lyp_6-31g(d).gjf (generated)

005045783.b3lyp_6-31g(d).firefly.inp (generated)

005045783.b3lyp_6-31g(d).smash.inp (generated)

005045783.b3lyp_6-31g(d).nwchem.inp (generated) 005045783.b3lyp_6-31g(d).log.xz 005045783.mol 005045783.PUBCHEM 005045783.mol (via Jmol)
005045814.b3lyp_6-31g(d).inp

005045814.b3lyp_6-31g(d).qchem.inp (generated)

005045814.b3lyp_6-31g(d).gjf (generated)

005045814.b3lyp_6-31g(d).firefly.inp (generated)

005045814.b3lyp_6-31g(d).smash.inp (generated)

005045814.b3lyp_6-31g(d).nwchem.inp (generated) 005045814.b3lyp_6-31g(d).log.xz 005045814.mol 005045814.PUBCHEM 005045814.mol (via Jmol)
005045840.b3lyp_6-31g(d).inp

005045840.b3lyp_6-31g(d).qchem.inp (generated)

005045840.b3lyp_6-31g(d).gjf (generated)

005045840.b3lyp_6-31g(d).firefly.inp (generated)

005045840.b3lyp_6-31g(d).smash.inp (generated)

005045840.b3lyp_6-31g(d).nwchem.inp (generated) 005045840.b3lyp_6-31g(d).log.xz 005045840.td-b3lyp_6-31g+(d).inp 005045840.td-b3lyp_6-31g+(d).log.xz

005045840.td-b3lyp_6-31+g(d).qchem.inp (generated)

005045840.td-b3lyp_6-31+g(d).gjf (generated)

005045840.td-b3lyp_6-31+g(d).firefly.inp (generated)

005045840.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005045840.mol 005045840.PUBCHEM 005045840.mol (via Jmol)
005045891.b3lyp_6-31g(d).inp

005045891.b3lyp_6-31g(d).qchem.inp (generated)

005045891.b3lyp_6-31g(d).gjf (generated)

005045891.b3lyp_6-31g(d).firefly.inp (generated)

005045891.b3lyp_6-31g(d).smash.inp (generated)

005045891.b3lyp_6-31g(d).nwchem.inp (generated) 005045891.b3lyp_6-31g(d).log.xz 005045891.td-b3lyp_6-31g+(d).inp 005045891.td-b3lyp_6-31g+(d).log.xz

005045891.td-b3lyp_6-31+g(d).qchem.inp (generated)

005045891.td-b3lyp_6-31+g(d).gjf (generated)

005045891.td-b3lyp_6-31+g(d).firefly.inp (generated)

005045891.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005045891.mol 005045891.PUBCHEM 005045891.mol (via Jmol)
005045892.b3lyp_6-31g(d).inp

005045892.b3lyp_6-31g(d).qchem.inp (generated)

005045892.b3lyp_6-31g(d).gjf (generated)

005045892.b3lyp_6-31g(d).firefly.inp (generated)

005045892.b3lyp_6-31g(d).smash.inp (generated)

005045892.b3lyp_6-31g(d).nwchem.inp (generated) 005045892.b3lyp_6-31g(d).log.xz 005045892.td-b3lyp_6-31g+(d).inp 005045892.td-b3lyp_6-31g+(d).log.xz

005045892.td-b3lyp_6-31+g(d).qchem.inp (generated)

005045892.td-b3lyp_6-31+g(d).gjf (generated)

005045892.td-b3lyp_6-31+g(d).firefly.inp (generated)

005045892.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005045892.mol 005045892.PUBCHEM 005045892.mol (via Jmol)
005045893.b3lyp_6-31g(d).inp

005045893.b3lyp_6-31g(d).qchem.inp (generated)

005045893.b3lyp_6-31g(d).gjf (generated)

005045893.b3lyp_6-31g(d).firefly.inp (generated)

005045893.b3lyp_6-31g(d).smash.inp (generated)

005045893.b3lyp_6-31g(d).nwchem.inp (generated) 005045893.b3lyp_6-31g(d).log.xz 005045893.td-b3lyp_6-31g+(d).inp 005045893.td-b3lyp_6-31g+(d).log.xz

005045893.td-b3lyp_6-31+g(d).qchem.inp (generated)

005045893.td-b3lyp_6-31+g(d).gjf (generated)

005045893.td-b3lyp_6-31+g(d).firefly.inp (generated)

005045893.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005045893.mol 005045893.PUBCHEM 005045893.mol (via Jmol)
005045902.b3lyp_6-31g(d).inp

005045902.b3lyp_6-31g(d).qchem.inp (generated)

005045902.b3lyp_6-31g(d).gjf (generated)

005045902.b3lyp_6-31g(d).firefly.inp (generated)

005045902.b3lyp_6-31g(d).smash.inp (generated)

005045902.b3lyp_6-31g(d).nwchem.inp (generated) 005045902.b3lyp_6-31g(d).log.xz 005045902.td-b3lyp_6-31g+(d).inp 005045902.td-b3lyp_6-31g+(d).log.xz

005045902.td-b3lyp_6-31+g(d).qchem.inp (generated)

005045902.td-b3lyp_6-31+g(d).gjf (generated)

005045902.td-b3lyp_6-31+g(d).firefly.inp (generated)

005045902.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005045902.mol 005045902.PUBCHEM 005045902.mol (via Jmol)
005045916.b3lyp_6-31g(d).inp

005045916.b3lyp_6-31g(d).qchem.inp (generated)

005045916.b3lyp_6-31g(d).gjf (generated)

005045916.b3lyp_6-31g(d).firefly.inp (generated)

005045916.b3lyp_6-31g(d).smash.inp (generated)

005045916.b3lyp_6-31g(d).nwchem.inp (generated) 005045916.b3lyp_6-31g(d).log.xz 005045916.td-b3lyp_6-31g+(d).inp 005045916.td-b3lyp_6-31g+(d).log.xz

005045916.td-b3lyp_6-31+g(d).qchem.inp (generated)

005045916.td-b3lyp_6-31+g(d).gjf (generated)

005045916.td-b3lyp_6-31+g(d).firefly.inp (generated)

005045916.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005045916.mol 005045916.PUBCHEM 005045916.mol (via Jmol)
005045948.b3lyp_6-31g(d).inp

005045948.b3lyp_6-31g(d).qchem.inp (generated)

005045948.b3lyp_6-31g(d).gjf (generated)

005045948.b3lyp_6-31g(d).firefly.inp (generated)

005045948.b3lyp_6-31g(d).smash.inp (generated)

005045948.b3lyp_6-31g(d).nwchem.inp (generated) 005045948.b3lyp_6-31g(d).log.xz 005045948.td-b3lyp_6-31g+(d).inp 005045948.td-b3lyp_6-31g+(d).log.xz

005045948.td-b3lyp_6-31+g(d).qchem.inp (generated)

005045948.td-b3lyp_6-31+g(d).gjf (generated)

005045948.td-b3lyp_6-31+g(d).firefly.inp (generated)

005045948.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005045948.mol 005045948.PUBCHEM 005045948.mol (via Jmol)
005046069.b3lyp_6-31g(d).inp

005046069.b3lyp_6-31g(d).qchem.inp (generated)

005046069.b3lyp_6-31g(d).gjf (generated)

005046069.b3lyp_6-31g(d).firefly.inp (generated)

005046069.b3lyp_6-31g(d).smash.inp (generated)

005046069.b3lyp_6-31g(d).nwchem.inp (generated) 005046069.b3lyp_6-31g(d).log.xz 005046069.td-b3lyp_6-31g+(d).inp 005046069.td-b3lyp_6-31g+(d).log.xz

005046069.td-b3lyp_6-31+g(d).qchem.inp (generated)

005046069.td-b3lyp_6-31+g(d).gjf (generated)

005046069.td-b3lyp_6-31+g(d).firefly.inp (generated)

005046069.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005046069.mol 005046069.PUBCHEM 005046069.mol (via Jmol)
005046077.b3lyp_6-31g(d).inp

005046077.b3lyp_6-31g(d).qchem.inp (generated)

005046077.b3lyp_6-31g(d).gjf (generated)

005046077.b3lyp_6-31g(d).firefly.inp (generated)

005046077.b3lyp_6-31g(d).smash.inp (generated)

005046077.b3lyp_6-31g(d).nwchem.inp (generated) 005046077.b3lyp_6-31g(d).log.xz 005046077.td-b3lyp_6-31g+(d).inp 005046077.td-b3lyp_6-31g+(d).log.xz

005046077.td-b3lyp_6-31+g(d).qchem.inp (generated)

005046077.td-b3lyp_6-31+g(d).gjf (generated)

005046077.td-b3lyp_6-31+g(d).firefly.inp (generated)

005046077.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005046077.mol 005046077.PUBCHEM 005046077.mol (via Jmol)
005046156.b3lyp_6-31g(d).inp

005046156.b3lyp_6-31g(d).qchem.inp (generated)

005046156.b3lyp_6-31g(d).gjf (generated)

005046156.b3lyp_6-31g(d).firefly.inp (generated)

005046156.b3lyp_6-31g(d).smash.inp (generated)

005046156.b3lyp_6-31g(d).nwchem.inp (generated) 005046156.b3lyp_6-31g(d).log.xz 005046156.td-b3lyp_6-31g+(d).inp 005046156.td-b3lyp_6-31g+(d).log.xz

005046156.td-b3lyp_6-31+g(d).qchem.inp (generated)

005046156.td-b3lyp_6-31+g(d).gjf (generated)

005046156.td-b3lyp_6-31+g(d).firefly.inp (generated)

005046156.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005046156.mol 005046156.PUBCHEM 005046156.mol (via Jmol)
005046219.b3lyp_6-31g(d).inp

005046219.b3lyp_6-31g(d).qchem.inp (generated)

005046219.b3lyp_6-31g(d).gjf (generated)

005046219.b3lyp_6-31g(d).firefly.inp (generated)

005046219.b3lyp_6-31g(d).smash.inp (generated)

005046219.b3lyp_6-31g(d).nwchem.inp (generated) 005046219.b3lyp_6-31g(d).log.xz 005046219.td-b3lyp_6-31g+(d).inp 005046219.td-b3lyp_6-31g+(d).log.xz

005046219.td-b3lyp_6-31+g(d).qchem.inp (generated)

005046219.td-b3lyp_6-31+g(d).gjf (generated)

005046219.td-b3lyp_6-31+g(d).firefly.inp (generated)

005046219.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005046219.mol 005046219.PUBCHEM 005046219.mol (via Jmol)
005046221.b3lyp_6-31g(d).inp

005046221.b3lyp_6-31g(d).qchem.inp (generated)

005046221.b3lyp_6-31g(d).gjf (generated)

005046221.b3lyp_6-31g(d).firefly.inp (generated)

005046221.b3lyp_6-31g(d).smash.inp (generated)

005046221.b3lyp_6-31g(d).nwchem.inp (generated) 005046221.b3lyp_6-31g(d).log.xz 005046221.td-b3lyp_6-31g+(d).inp 005046221.td-b3lyp_6-31g+(d).log.xz

005046221.td-b3lyp_6-31+g(d).qchem.inp (generated)

005046221.td-b3lyp_6-31+g(d).gjf (generated)

005046221.td-b3lyp_6-31+g(d).firefly.inp (generated)

005046221.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005046221.mol 005046221.PUBCHEM 005046221.mol (via Jmol)
005046222.b3lyp_6-31g(d).inp

005046222.b3lyp_6-31g(d).qchem.inp (generated)

005046222.b3lyp_6-31g(d).gjf (generated)

005046222.b3lyp_6-31g(d).firefly.inp (generated)

005046222.b3lyp_6-31g(d).smash.inp (generated)

005046222.b3lyp_6-31g(d).nwchem.inp (generated) 005046222.b3lyp_6-31g(d).log.xz 005046222.td-b3lyp_6-31g+(d).inp 005046222.td-b3lyp_6-31g+(d).log.xz

005046222.td-b3lyp_6-31+g(d).qchem.inp (generated)

005046222.td-b3lyp_6-31+g(d).gjf (generated)

005046222.td-b3lyp_6-31+g(d).firefly.inp (generated)

005046222.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005046222.mol 005046222.PUBCHEM 005046222.mol (via Jmol)
005046223.b3lyp_6-31g(d).inp

005046223.b3lyp_6-31g(d).qchem.inp (generated)

005046223.b3lyp_6-31g(d).gjf (generated)

005046223.b3lyp_6-31g(d).firefly.inp (generated)

005046223.b3lyp_6-31g(d).smash.inp (generated)

005046223.b3lyp_6-31g(d).nwchem.inp (generated) 005046223.b3lyp_6-31g(d).log.xz 005046223.td-b3lyp_6-31g+(d).inp 005046223.td-b3lyp_6-31g+(d).log.xz

005046223.td-b3lyp_6-31+g(d).qchem.inp (generated)

005046223.td-b3lyp_6-31+g(d).gjf (generated)

005046223.td-b3lyp_6-31+g(d).firefly.inp (generated)

005046223.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005046223.mol 005046223.PUBCHEM 005046223.mol (via Jmol)
005046224.b3lyp_6-31g(d).inp

005046224.b3lyp_6-31g(d).qchem.inp (generated)

005046224.b3lyp_6-31g(d).gjf (generated)

005046224.b3lyp_6-31g(d).firefly.inp (generated)

005046224.b3lyp_6-31g(d).smash.inp (generated)

005046224.b3lyp_6-31g(d).nwchem.inp (generated) 005046224.b3lyp_6-31g(d).log.xz 005046224.td-b3lyp_6-31g+(d).inp 005046224.td-b3lyp_6-31g+(d).log.xz

005046224.td-b3lyp_6-31+g(d).qchem.inp (generated)

005046224.td-b3lyp_6-31+g(d).gjf (generated)

005046224.td-b3lyp_6-31+g(d).firefly.inp (generated)

005046224.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005046224.mol 005046224.PUBCHEM 005046224.mol (via Jmol)
005046225.b3lyp_6-31g(d).inp

005046225.b3lyp_6-31g(d).qchem.inp (generated)

005046225.b3lyp_6-31g(d).gjf (generated)

005046225.b3lyp_6-31g(d).firefly.inp (generated)

005046225.b3lyp_6-31g(d).smash.inp (generated)

005046225.b3lyp_6-31g(d).nwchem.inp (generated) 005046225.b3lyp_6-31g(d).log.xz 005046225.td-b3lyp_6-31g+(d).inp 005046225.td-b3lyp_6-31g+(d).log.xz

005046225.td-b3lyp_6-31+g(d).qchem.inp (generated)

005046225.td-b3lyp_6-31+g(d).gjf (generated)

005046225.td-b3lyp_6-31+g(d).firefly.inp (generated)

005046225.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005046225.mol 005046225.PUBCHEM 005046225.mol (via Jmol)
005046226.b3lyp_6-31g(d).inp

005046226.b3lyp_6-31g(d).qchem.inp (generated)

005046226.b3lyp_6-31g(d).gjf (generated)

005046226.b3lyp_6-31g(d).firefly.inp (generated)

005046226.b3lyp_6-31g(d).smash.inp (generated)

005046226.b3lyp_6-31g(d).nwchem.inp (generated) 005046226.b3lyp_6-31g(d).log.xz 005046226.td-b3lyp_6-31g+(d).inp 005046226.td-b3lyp_6-31g+(d).log.xz

005046226.td-b3lyp_6-31+g(d).qchem.inp (generated)

005046226.td-b3lyp_6-31+g(d).gjf (generated)

005046226.td-b3lyp_6-31+g(d).firefly.inp (generated)

005046226.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005046226.mol 005046226.PUBCHEM 005046226.mol (via Jmol)
005046228.b3lyp_6-31g(d).inp

005046228.b3lyp_6-31g(d).qchem.inp (generated)

005046228.b3lyp_6-31g(d).gjf (generated)

005046228.b3lyp_6-31g(d).firefly.inp (generated)

005046228.b3lyp_6-31g(d).smash.inp (generated)

005046228.b3lyp_6-31g(d).nwchem.inp (generated) 005046228.b3lyp_6-31g(d).log.xz 005046228.td-b3lyp_6-31g+(d).inp 005046228.td-b3lyp_6-31g+(d).log.xz

005046228.td-b3lyp_6-31+g(d).qchem.inp (generated)

005046228.td-b3lyp_6-31+g(d).gjf (generated)

005046228.td-b3lyp_6-31+g(d).firefly.inp (generated)

005046228.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005046228.mol 005046228.PUBCHEM 005046228.mol (via Jmol)
005046240.b3lyp_6-31g(d).inp

005046240.b3lyp_6-31g(d).qchem.inp (generated)

005046240.b3lyp_6-31g(d).gjf (generated)

005046240.b3lyp_6-31g(d).firefly.inp (generated)

005046240.b3lyp_6-31g(d).smash.inp (generated)

005046240.b3lyp_6-31g(d).nwchem.inp (generated) 005046240.b3lyp_6-31g(d).log.xz 005046240.td-b3lyp_6-31g+(d).inp 005046240.td-b3lyp_6-31g+(d).log.xz

005046240.td-b3lyp_6-31+g(d).qchem.inp (generated)

005046240.td-b3lyp_6-31+g(d).gjf (generated)

005046240.td-b3lyp_6-31+g(d).firefly.inp (generated)

005046240.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005046240.mol 005046240.PUBCHEM 005046240.mol (via Jmol)
005046241.b3lyp_6-31g(d).inp

005046241.b3lyp_6-31g(d).qchem.inp (generated)

005046241.b3lyp_6-31g(d).gjf (generated)

005046241.b3lyp_6-31g(d).firefly.inp (generated)

005046241.b3lyp_6-31g(d).smash.inp (generated)

005046241.b3lyp_6-31g(d).nwchem.inp (generated) 005046241.b3lyp_6-31g(d).log.xz 005046241.td-b3lyp_6-31g+(d).inp 005046241.td-b3lyp_6-31g+(d).log.xz

005046241.td-b3lyp_6-31+g(d).qchem.inp (generated)

005046241.td-b3lyp_6-31+g(d).gjf (generated)

005046241.td-b3lyp_6-31+g(d).firefly.inp (generated)

005046241.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005046241.mol 005046241.PUBCHEM 005046241.mol (via Jmol)
005046243.b3lyp_6-31g(d).inp

005046243.b3lyp_6-31g(d).qchem.inp (generated)

005046243.b3lyp_6-31g(d).gjf (generated)

005046243.b3lyp_6-31g(d).firefly.inp (generated)

005046243.b3lyp_6-31g(d).smash.inp (generated)

005046243.b3lyp_6-31g(d).nwchem.inp (generated) 005046243.b3lyp_6-31g(d).log.xz 005046243.td-b3lyp_6-31g+(d).inp 005046243.td-b3lyp_6-31g+(d).log.xz

005046243.td-b3lyp_6-31+g(d).qchem.inp (generated)

005046243.td-b3lyp_6-31+g(d).gjf (generated)

005046243.td-b3lyp_6-31+g(d).firefly.inp (generated)

005046243.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005046243.mol 005046243.PUBCHEM 005046243.mol (via Jmol)
005046244.b3lyp_6-31g(d).inp

005046244.b3lyp_6-31g(d).qchem.inp (generated)

005046244.b3lyp_6-31g(d).gjf (generated)

005046244.b3lyp_6-31g(d).firefly.inp (generated)

005046244.b3lyp_6-31g(d).smash.inp (generated)

005046244.b3lyp_6-31g(d).nwchem.inp (generated) 005046244.b3lyp_6-31g(d).log.xz 005046244.td-b3lyp_6-31g+(d).inp 005046244.td-b3lyp_6-31g+(d).log.xz

005046244.td-b3lyp_6-31+g(d).qchem.inp (generated)

005046244.td-b3lyp_6-31+g(d).gjf (generated)

005046244.td-b3lyp_6-31+g(d).firefly.inp (generated)

005046244.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005046244.mol 005046244.PUBCHEM 005046244.mol (via Jmol)
005046273.b3lyp_6-31g(d).inp

005046273.b3lyp_6-31g(d).qchem.inp (generated)

005046273.b3lyp_6-31g(d).gjf (generated)

005046273.b3lyp_6-31g(d).firefly.inp (generated)

005046273.b3lyp_6-31g(d).smash.inp (generated)

005046273.b3lyp_6-31g(d).nwchem.inp (generated) 005046273.b3lyp_6-31g(d).log.xz 005046273.td-b3lyp_6-31g+(d).inp 005046273.td-b3lyp_6-31g+(d).log.xz

005046273.td-b3lyp_6-31+g(d).qchem.inp (generated)

005046273.td-b3lyp_6-31+g(d).gjf (generated)

005046273.td-b3lyp_6-31+g(d).firefly.inp (generated)

005046273.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005046273.mol 005046273.PUBCHEM 005046273.mol (via Jmol)
005046278.b3lyp_6-31g(d).inp

005046278.b3lyp_6-31g(d).qchem.inp (generated)

005046278.b3lyp_6-31g(d).gjf (generated)

005046278.b3lyp_6-31g(d).firefly.inp (generated)

005046278.b3lyp_6-31g(d).smash.inp (generated)

005046278.b3lyp_6-31g(d).nwchem.inp (generated) 005046278.b3lyp_6-31g(d).log.xz 005046278.td-b3lyp_6-31g+(d).inp 005046278.td-b3lyp_6-31g+(d).log.xz

005046278.td-b3lyp_6-31+g(d).qchem.inp (generated)

005046278.td-b3lyp_6-31+g(d).gjf (generated)

005046278.td-b3lyp_6-31+g(d).firefly.inp (generated)

005046278.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005046278.mol 005046278.PUBCHEM 005046278.mol (via Jmol)
005046279.b3lyp_6-31g(d).inp

005046279.b3lyp_6-31g(d).qchem.inp (generated)

005046279.b3lyp_6-31g(d).gjf (generated)

005046279.b3lyp_6-31g(d).firefly.inp (generated)

005046279.b3lyp_6-31g(d).smash.inp (generated)

005046279.b3lyp_6-31g(d).nwchem.inp (generated) 005046279.b3lyp_6-31g(d).log.xz 005046279.td-b3lyp_6-31g+(d).inp 005046279.td-b3lyp_6-31g+(d).log.xz

005046279.td-b3lyp_6-31+g(d).qchem.inp (generated)

005046279.td-b3lyp_6-31+g(d).gjf (generated)

005046279.td-b3lyp_6-31+g(d).firefly.inp (generated)

005046279.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005046279.mol 005046279.PUBCHEM 005046279.mol (via Jmol)
005046280.b3lyp_6-31g(d).inp

005046280.b3lyp_6-31g(d).qchem.inp (generated)

005046280.b3lyp_6-31g(d).gjf (generated)

005046280.b3lyp_6-31g(d).firefly.inp (generated)

005046280.b3lyp_6-31g(d).smash.inp (generated)

005046280.b3lyp_6-31g(d).nwchem.inp (generated) 005046280.b3lyp_6-31g(d).log.xz 005046280.td-b3lyp_6-31g+(d).inp 005046280.td-b3lyp_6-31g+(d).log.xz

005046280.td-b3lyp_6-31+g(d).qchem.inp (generated)

005046280.td-b3lyp_6-31+g(d).gjf (generated)

005046280.td-b3lyp_6-31+g(d).firefly.inp (generated)

005046280.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005046280.mol 005046280.PUBCHEM 005046280.mol (via Jmol)
005046297.b3lyp_6-31g(d).inp

005046297.b3lyp_6-31g(d).qchem.inp (generated)

005046297.b3lyp_6-31g(d).gjf (generated)

005046297.b3lyp_6-31g(d).firefly.inp (generated)

005046297.b3lyp_6-31g(d).smash.inp (generated)

005046297.b3lyp_6-31g(d).nwchem.inp (generated) 005046297.b3lyp_6-31g(d).log.xz 005046297.td-b3lyp_6-31g+(d).inp 005046297.td-b3lyp_6-31g+(d).log.xz

005046297.td-b3lyp_6-31+g(d).qchem.inp (generated)

005046297.td-b3lyp_6-31+g(d).gjf (generated)

005046297.td-b3lyp_6-31+g(d).firefly.inp (generated)

005046297.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005046297.mol 005046297.PUBCHEM 005046297.mol (via Jmol)
005046350.b3lyp_6-31g(d).inp

005046350.b3lyp_6-31g(d).qchem.inp (generated)

005046350.b3lyp_6-31g(d).gjf (generated)

005046350.b3lyp_6-31g(d).firefly.inp (generated)

005046350.b3lyp_6-31g(d).smash.inp (generated)

005046350.b3lyp_6-31g(d).nwchem.inp (generated) 005046350.b3lyp_6-31g(d).log.xz 005046350.td-b3lyp_6-31g+(d).inp 005046350.td-b3lyp_6-31g+(d).log.xz

005046350.td-b3lyp_6-31+g(d).qchem.inp (generated)

005046350.td-b3lyp_6-31+g(d).gjf (generated)

005046350.td-b3lyp_6-31+g(d).firefly.inp (generated)

005046350.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005046350.mol 005046350.PUBCHEM 005046350.mol (via Jmol)
005046385.b3lyp_6-31g(d).inp

005046385.b3lyp_6-31g(d).qchem.inp (generated)

005046385.b3lyp_6-31g(d).gjf (generated)

005046385.b3lyp_6-31g(d).firefly.inp (generated)

005046385.b3lyp_6-31g(d).smash.inp (generated)

005046385.b3lyp_6-31g(d).nwchem.inp (generated) 005046385.b3lyp_6-31g(d).log.xz 005046385.td-b3lyp_6-31g+(d).inp 005046385.td-b3lyp_6-31g+(d).log.xz

005046385.td-b3lyp_6-31+g(d).qchem.inp (generated)

005046385.td-b3lyp_6-31+g(d).gjf (generated)

005046385.td-b3lyp_6-31+g(d).firefly.inp (generated)

005046385.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005046385.mol 005046385.PUBCHEM 005046385.mol (via Jmol)
005046388.b3lyp_6-31g(d).inp

005046388.b3lyp_6-31g(d).qchem.inp (generated)

005046388.b3lyp_6-31g(d).gjf (generated)

005046388.b3lyp_6-31g(d).firefly.inp (generated)

005046388.b3lyp_6-31g(d).smash.inp (generated)

005046388.b3lyp_6-31g(d).nwchem.inp (generated) 005046388.b3lyp_6-31g(d).log.xz 005046388.td-b3lyp_6-31g+(d).inp 005046388.td-b3lyp_6-31g+(d).log.xz

005046388.td-b3lyp_6-31+g(d).qchem.inp (generated)

005046388.td-b3lyp_6-31+g(d).gjf (generated)

005046388.td-b3lyp_6-31+g(d).firefly.inp (generated)

005046388.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005046388.mol 005046388.PUBCHEM 005046388.mol (via Jmol)
005046394.b3lyp_6-31g(d).inp

005046394.b3lyp_6-31g(d).qchem.inp (generated)

005046394.b3lyp_6-31g(d).gjf (generated)

005046394.b3lyp_6-31g(d).firefly.inp (generated)

005046394.b3lyp_6-31g(d).smash.inp (generated)

005046394.b3lyp_6-31g(d).nwchem.inp (generated) 005046394.b3lyp_6-31g(d).log.xz 005046394.td-b3lyp_6-31g+(d).inp 005046394.td-b3lyp_6-31g+(d).log.xz

005046394.td-b3lyp_6-31+g(d).qchem.inp (generated)

005046394.td-b3lyp_6-31+g(d).gjf (generated)

005046394.td-b3lyp_6-31+g(d).firefly.inp (generated)

005046394.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005046394.mol 005046394.PUBCHEM 005046394.mol (via Jmol)
005046398.b3lyp_6-31g(d).inp

005046398.b3lyp_6-31g(d).qchem.inp (generated)

005046398.b3lyp_6-31g(d).gjf (generated)

005046398.b3lyp_6-31g(d).firefly.inp (generated)

005046398.b3lyp_6-31g(d).smash.inp (generated)

005046398.b3lyp_6-31g(d).nwchem.inp (generated) 005046398.b3lyp_6-31g(d).log.xz 005046398.mol 005046398.PUBCHEM 005046398.mol (via Jmol)
005046399.b3lyp_6-31g(d).inp

005046399.b3lyp_6-31g(d).qchem.inp (generated)

005046399.b3lyp_6-31g(d).gjf (generated)

005046399.b3lyp_6-31g(d).firefly.inp (generated)

005046399.b3lyp_6-31g(d).smash.inp (generated)

005046399.b3lyp_6-31g(d).nwchem.inp (generated) 005046399.b3lyp_6-31g(d).log.xz 005046399.td-b3lyp_6-31g+(d).inp 005046399.td-b3lyp_6-31g+(d).log.xz

005046399.td-b3lyp_6-31+g(d).qchem.inp (generated)

005046399.td-b3lyp_6-31+g(d).gjf (generated)

005046399.td-b3lyp_6-31+g(d).firefly.inp (generated)

005046399.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005046399.mol 005046399.PUBCHEM 005046399.mol (via Jmol)
005046480.b3lyp_6-31g(d).inp

005046480.b3lyp_6-31g(d).qchem.inp (generated)

005046480.b3lyp_6-31g(d).gjf (generated)

005046480.b3lyp_6-31g(d).firefly.inp (generated)

005046480.b3lyp_6-31g(d).smash.inp (generated)

005046480.b3lyp_6-31g(d).nwchem.inp (generated) 005046480.b3lyp_6-31g(d).log.xz 005046480.mol 005046480.PUBCHEM 005046480.mol (via Jmol)
005046524.b3lyp_6-31g(d).inp

005046524.b3lyp_6-31g(d).qchem.inp (generated)

005046524.b3lyp_6-31g(d).gjf (generated)

005046524.b3lyp_6-31g(d).firefly.inp (generated)

005046524.b3lyp_6-31g(d).smash.inp (generated)

005046524.b3lyp_6-31g(d).nwchem.inp (generated) 005046524.b3lyp_6-31g(d).log.xz 005046524.td-b3lyp_6-31g+(d).inp 005046524.td-b3lyp_6-31g+(d).log.xz

005046524.td-b3lyp_6-31+g(d).qchem.inp (generated)

005046524.td-b3lyp_6-31+g(d).gjf (generated)

005046524.td-b3lyp_6-31+g(d).firefly.inp (generated)

005046524.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005046524.mol 005046524.PUBCHEM 005046524.mol (via Jmol)
005046550.b3lyp_6-31g(d).inp

005046550.b3lyp_6-31g(d).qchem.inp (generated)

005046550.b3lyp_6-31g(d).gjf (generated)

005046550.b3lyp_6-31g(d).firefly.inp (generated)

005046550.b3lyp_6-31g(d).smash.inp (generated)

005046550.b3lyp_6-31g(d).nwchem.inp (generated) 005046550.b3lyp_6-31g(d).log.xz 005046550.td-b3lyp_6-31g+(d).inp 005046550.td-b3lyp_6-31g+(d).log.xz

005046550.td-b3lyp_6-31+g(d).qchem.inp (generated)

005046550.td-b3lyp_6-31+g(d).gjf (generated)

005046550.td-b3lyp_6-31+g(d).firefly.inp (generated)

005046550.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005046550.mol 005046550.PUBCHEM 005046550.mol (via Jmol)
005046553.b3lyp_6-31g(d).inp

005046553.b3lyp_6-31g(d).qchem.inp (generated)

005046553.b3lyp_6-31g(d).gjf (generated)

005046553.b3lyp_6-31g(d).firefly.inp (generated)

005046553.b3lyp_6-31g(d).smash.inp (generated)

005046553.b3lyp_6-31g(d).nwchem.inp (generated) 005046553.b3lyp_6-31g(d).log.xz 005046553.mol 005046553.PUBCHEM 005046553.mol (via Jmol)
005046651.b3lyp_6-31g(d).inp

005046651.b3lyp_6-31g(d).qchem.inp (generated)

005046651.b3lyp_6-31g(d).gjf (generated)

005046651.b3lyp_6-31g(d).firefly.inp (generated)

005046651.b3lyp_6-31g(d).smash.inp (generated)

005046651.b3lyp_6-31g(d).nwchem.inp (generated) 005046651.b3lyp_6-31g(d).log.xz 005046651.mol 005046651.PUBCHEM 005046651.mol (via Jmol)
005046653.b3lyp_6-31g(d).inp

005046653.b3lyp_6-31g(d).qchem.inp (generated)

005046653.b3lyp_6-31g(d).gjf (generated)

005046653.b3lyp_6-31g(d).firefly.inp (generated)

005046653.b3lyp_6-31g(d).smash.inp (generated)

005046653.b3lyp_6-31g(d).nwchem.inp (generated) 005046653.b3lyp_6-31g(d).log.xz 005046653.mol 005046653.PUBCHEM 005046653.mol (via Jmol)
005046666.b3lyp_6-31g(d).inp

005046666.b3lyp_6-31g(d).qchem.inp (generated)

005046666.b3lyp_6-31g(d).gjf (generated)

005046666.b3lyp_6-31g(d).firefly.inp (generated)

005046666.b3lyp_6-31g(d).smash.inp (generated)

005046666.b3lyp_6-31g(d).nwchem.inp (generated) 005046666.b3lyp_6-31g(d).log.xz 005046666.td-b3lyp_6-31g+(d).inp 005046666.td-b3lyp_6-31g+(d).log.xz

005046666.td-b3lyp_6-31+g(d).qchem.inp (generated)

005046666.td-b3lyp_6-31+g(d).gjf (generated)

005046666.td-b3lyp_6-31+g(d).firefly.inp (generated)

005046666.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005046666.mol 005046666.PUBCHEM 005046666.mol (via Jmol)
005046674.b3lyp_6-31g(d).inp

005046674.b3lyp_6-31g(d).qchem.inp (generated)

005046674.b3lyp_6-31g(d).gjf (generated)

005046674.b3lyp_6-31g(d).firefly.inp (generated)

005046674.b3lyp_6-31g(d).smash.inp (generated)

005046674.b3lyp_6-31g(d).nwchem.inp (generated) 005046674.b3lyp_6-31g(d).log.xz 005046674.td-b3lyp_6-31g+(d).inp 005046674.td-b3lyp_6-31g+(d).log.xz

005046674.td-b3lyp_6-31+g(d).qchem.inp (generated)

005046674.td-b3lyp_6-31+g(d).gjf (generated)

005046674.td-b3lyp_6-31+g(d).firefly.inp (generated)

005046674.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005046674.mol 005046674.PUBCHEM 005046674.mol (via Jmol)
005046709.b3lyp_6-31g(d).inp

005046709.b3lyp_6-31g(d).qchem.inp (generated)

005046709.b3lyp_6-31g(d).gjf (generated)

005046709.b3lyp_6-31g(d).firefly.inp (generated)

005046709.b3lyp_6-31g(d).smash.inp (generated)

005046709.b3lyp_6-31g(d).nwchem.inp (generated) 005046709.b3lyp_6-31g(d).log.xz 005046709.td-b3lyp_6-31g+(d).inp 005046709.td-b3lyp_6-31g+(d).log.xz

005046709.td-b3lyp_6-31+g(d).qchem.inp (generated)

005046709.td-b3lyp_6-31+g(d).gjf (generated)

005046709.td-b3lyp_6-31+g(d).firefly.inp (generated)

005046709.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005046709.mol 005046709.PUBCHEM 005046709.mol (via Jmol)
005046710.b3lyp_6-31g(d).inp

005046710.b3lyp_6-31g(d).qchem.inp (generated)

005046710.b3lyp_6-31g(d).gjf (generated)

005046710.b3lyp_6-31g(d).firefly.inp (generated)

005046710.b3lyp_6-31g(d).smash.inp (generated)

005046710.b3lyp_6-31g(d).nwchem.inp (generated) 005046710.b3lyp_6-31g(d).log.xz 005046710.td-b3lyp_6-31g+(d).inp 005046710.td-b3lyp_6-31g+(d).log.xz

005046710.td-b3lyp_6-31+g(d).qchem.inp (generated)

005046710.td-b3lyp_6-31+g(d).gjf (generated)

005046710.td-b3lyp_6-31+g(d).firefly.inp (generated)

005046710.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005046710.mol 005046710.PUBCHEM 005046710.mol (via Jmol)
005046711.b3lyp_6-31g(d).inp

005046711.b3lyp_6-31g(d).qchem.inp (generated)

005046711.b3lyp_6-31g(d).gjf (generated)

005046711.b3lyp_6-31g(d).firefly.inp (generated)

005046711.b3lyp_6-31g(d).smash.inp (generated)

005046711.b3lyp_6-31g(d).nwchem.inp (generated) 005046711.b3lyp_6-31g(d).log.xz 005046711.td-b3lyp_6-31g+(d).inp 005046711.td-b3lyp_6-31g+(d).log.xz

005046711.td-b3lyp_6-31+g(d).qchem.inp (generated)

005046711.td-b3lyp_6-31+g(d).gjf (generated)

005046711.td-b3lyp_6-31+g(d).firefly.inp (generated)

005046711.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005046711.mol 005046711.PUBCHEM 005046711.mol (via Jmol)
005046713.b3lyp_6-31g(d).inp

005046713.b3lyp_6-31g(d).qchem.inp (generated)

005046713.b3lyp_6-31g(d).gjf (generated)

005046713.b3lyp_6-31g(d).firefly.inp (generated)

005046713.b3lyp_6-31g(d).smash.inp (generated)

005046713.b3lyp_6-31g(d).nwchem.inp (generated) 005046713.b3lyp_6-31g(d).log.xz 005046713.td-b3lyp_6-31g+(d).inp 005046713.td-b3lyp_6-31g+(d).log.xz

005046713.td-b3lyp_6-31+g(d).qchem.inp (generated)

005046713.td-b3lyp_6-31+g(d).gjf (generated)

005046713.td-b3lyp_6-31+g(d).firefly.inp (generated)

005046713.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005046713.mol 005046713.PUBCHEM 005046713.mol (via Jmol)
005046769.b3lyp_6-31g(d).inp

005046769.b3lyp_6-31g(d).qchem.inp (generated)

005046769.b3lyp_6-31g(d).gjf (generated)

005046769.b3lyp_6-31g(d).firefly.inp (generated)

005046769.b3lyp_6-31g(d).smash.inp (generated)

005046769.b3lyp_6-31g(d).nwchem.inp (generated) 005046769.b3lyp_6-31g(d).log.xz 005046769.td-b3lyp_6-31g+(d).inp 005046769.td-b3lyp_6-31g+(d).log.xz

005046769.td-b3lyp_6-31+g(d).qchem.inp (generated)

005046769.td-b3lyp_6-31+g(d).gjf (generated)

005046769.td-b3lyp_6-31+g(d).firefly.inp (generated)

005046769.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005046769.mol 005046769.PUBCHEM 005046769.mol (via Jmol)
005046806.b3lyp_6-31g(d).inp

005046806.b3lyp_6-31g(d).qchem.inp (generated)

005046806.b3lyp_6-31g(d).gjf (generated)

005046806.b3lyp_6-31g(d).firefly.inp (generated)

005046806.b3lyp_6-31g(d).smash.inp (generated)

005046806.b3lyp_6-31g(d).nwchem.inp (generated) 005046806.b3lyp_6-31g(d).log.xz 005046806.td-b3lyp_6-31g+(d).inp 005046806.td-b3lyp_6-31g+(d).log.xz

005046806.td-b3lyp_6-31+g(d).qchem.inp (generated)

005046806.td-b3lyp_6-31+g(d).gjf (generated)

005046806.td-b3lyp_6-31+g(d).firefly.inp (generated)

005046806.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005046806.mol 005046806.PUBCHEM 005046806.mol (via Jmol)
005046852.b3lyp_6-31g(d).inp

005046852.b3lyp_6-31g(d).qchem.inp (generated)

005046852.b3lyp_6-31g(d).gjf (generated)

005046852.b3lyp_6-31g(d).firefly.inp (generated)

005046852.b3lyp_6-31g(d).smash.inp (generated)

005046852.b3lyp_6-31g(d).nwchem.inp (generated) 005046852.b3lyp_6-31g(d).log.xz 005046852.td-b3lyp_6-31g+(d).inp 005046852.td-b3lyp_6-31g+(d).log.xz

005046852.td-b3lyp_6-31+g(d).qchem.inp (generated)

005046852.td-b3lyp_6-31+g(d).gjf (generated)

005046852.td-b3lyp_6-31+g(d).firefly.inp (generated)

005046852.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005046852.mol 005046852.PUBCHEM 005046852.mol (via Jmol)
005046859.b3lyp_6-31g(d).inp

005046859.b3lyp_6-31g(d).qchem.inp (generated)

005046859.b3lyp_6-31g(d).gjf (generated)

005046859.b3lyp_6-31g(d).firefly.inp (generated)

005046859.b3lyp_6-31g(d).smash.inp (generated)

005046859.b3lyp_6-31g(d).nwchem.inp (generated) 005046859.b3lyp_6-31g(d).log.xz 005046859.td-b3lyp_6-31g+(d).inp 005046859.td-b3lyp_6-31g+(d).log.xz

005046859.td-b3lyp_6-31+g(d).qchem.inp (generated)

005046859.td-b3lyp_6-31+g(d).gjf (generated)

005046859.td-b3lyp_6-31+g(d).firefly.inp (generated)

005046859.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005046859.mol 005046859.PUBCHEM 005046859.mol (via Jmol)
005046876.b3lyp_6-31g(d).inp

005046876.b3lyp_6-31g(d).qchem.inp (generated)

005046876.b3lyp_6-31g(d).gjf (generated)

005046876.b3lyp_6-31g(d).firefly.inp (generated)

005046876.b3lyp_6-31g(d).smash.inp (generated)

005046876.b3lyp_6-31g(d).nwchem.inp (generated) 005046876.b3lyp_6-31g(d).log.xz 005046876.td-b3lyp_6-31g+(d).inp 005046876.td-b3lyp_6-31g+(d).log.xz

005046876.td-b3lyp_6-31+g(d).qchem.inp (generated)

005046876.td-b3lyp_6-31+g(d).gjf (generated)

005046876.td-b3lyp_6-31+g(d).firefly.inp (generated)

005046876.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005046876.mol 005046876.PUBCHEM 005046876.mol (via Jmol)
005046951.b3lyp_6-31g(d).inp

005046951.b3lyp_6-31g(d).qchem.inp (generated)

005046951.b3lyp_6-31g(d).gjf (generated)

005046951.b3lyp_6-31g(d).firefly.inp (generated)

005046951.b3lyp_6-31g(d).smash.inp (generated)

005046951.b3lyp_6-31g(d).nwchem.inp (generated) 005046951.b3lyp_6-31g(d).log.xz 005046951.mol 005046951.PUBCHEM 005046951.mol (via Jmol)
005047019.b3lyp_6-31g(d).inp

005047019.b3lyp_6-31g(d).qchem.inp (generated)

005047019.b3lyp_6-31g(d).gjf (generated)

005047019.b3lyp_6-31g(d).firefly.inp (generated)

005047019.b3lyp_6-31g(d).smash.inp (generated)

005047019.b3lyp_6-31g(d).nwchem.inp (generated) 005047019.b3lyp_6-31g(d).log.xz 005047019.td-b3lyp_6-31g+(d).inp 005047019.td-b3lyp_6-31g+(d).log.xz

005047019.td-b3lyp_6-31+g(d).qchem.inp (generated)

005047019.td-b3lyp_6-31+g(d).gjf (generated)

005047019.td-b3lyp_6-31+g(d).firefly.inp (generated)

005047019.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005047019.mol 005047019.PUBCHEM 005047019.mol (via Jmol)
005047021.b3lyp_6-31g(d).inp

005047021.b3lyp_6-31g(d).qchem.inp (generated)

005047021.b3lyp_6-31g(d).gjf (generated)

005047021.b3lyp_6-31g(d).firefly.inp (generated)

005047021.b3lyp_6-31g(d).smash.inp (generated)

005047021.b3lyp_6-31g(d).nwchem.inp (generated) 005047021.b3lyp_6-31g(d).log.xz 005047021.td-b3lyp_6-31g+(d).inp 005047021.td-b3lyp_6-31g+(d).log.xz

005047021.td-b3lyp_6-31+g(d).qchem.inp (generated)

005047021.td-b3lyp_6-31+g(d).gjf (generated)

005047021.td-b3lyp_6-31+g(d).firefly.inp (generated)

005047021.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005047021.mol 005047021.PUBCHEM 005047021.mol (via Jmol)
005047025.b3lyp_6-31g(d).inp

005047025.b3lyp_6-31g(d).qchem.inp (generated)

005047025.b3lyp_6-31g(d).gjf (generated)

005047025.b3lyp_6-31g(d).firefly.inp (generated)

005047025.b3lyp_6-31g(d).smash.inp (generated)

005047025.b3lyp_6-31g(d).nwchem.inp (generated) 005047025.b3lyp_6-31g(d).log.xz 005047025.mol 005047025.PUBCHEM 005047025.mol (via Jmol)
005047026.b3lyp_6-31g(d).inp

005047026.b3lyp_6-31g(d).qchem.inp (generated)

005047026.b3lyp_6-31g(d).gjf (generated)

005047026.b3lyp_6-31g(d).firefly.inp (generated)

005047026.b3lyp_6-31g(d).smash.inp (generated)

005047026.b3lyp_6-31g(d).nwchem.inp (generated) 005047026.b3lyp_6-31g(d).log.xz 005047026.mol 005047026.PUBCHEM 005047026.mol (via Jmol)
005047028.b3lyp_6-31g(d).inp

005047028.b3lyp_6-31g(d).qchem.inp (generated)

005047028.b3lyp_6-31g(d).gjf (generated)

005047028.b3lyp_6-31g(d).firefly.inp (generated)

005047028.b3lyp_6-31g(d).smash.inp (generated)

005047028.b3lyp_6-31g(d).nwchem.inp (generated) 005047028.b3lyp_6-31g(d).log.xz 005047028.td-b3lyp_6-31g+(d).inp 005047028.td-b3lyp_6-31g+(d).log.xz

005047028.td-b3lyp_6-31+g(d).qchem.inp (generated)

005047028.td-b3lyp_6-31+g(d).gjf (generated)

005047028.td-b3lyp_6-31+g(d).firefly.inp (generated)

005047028.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005047028.mol 005047028.PUBCHEM 005047028.mol (via Jmol)
005047099.b3lyp_6-31g(d).inp

005047099.b3lyp_6-31g(d).qchem.inp (generated)

005047099.b3lyp_6-31g(d).gjf (generated)

005047099.b3lyp_6-31g(d).firefly.inp (generated)

005047099.b3lyp_6-31g(d).smash.inp (generated)

005047099.b3lyp_6-31g(d).nwchem.inp (generated) 005047099.b3lyp_6-31g(d).log.xz 005047099.td-b3lyp_6-31g+(d).inp 005047099.td-b3lyp_6-31g+(d).log.xz

005047099.td-b3lyp_6-31+g(d).qchem.inp (generated)

005047099.td-b3lyp_6-31+g(d).gjf (generated)

005047099.td-b3lyp_6-31+g(d).firefly.inp (generated)

005047099.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005047099.mol 005047099.PUBCHEM 005047099.mol (via Jmol)
005047110.b3lyp_6-31g(d).inp

005047110.b3lyp_6-31g(d).qchem.inp (generated)

005047110.b3lyp_6-31g(d).gjf (generated)

005047110.b3lyp_6-31g(d).firefly.inp (generated)

005047110.b3lyp_6-31g(d).smash.inp (generated)

005047110.b3lyp_6-31g(d).nwchem.inp (generated) 005047110.b3lyp_6-31g(d).log.xz 005047110.td-b3lyp_6-31g+(d).inp 005047110.td-b3lyp_6-31g+(d).log.xz

005047110.td-b3lyp_6-31+g(d).qchem.inp (generated)

005047110.td-b3lyp_6-31+g(d).gjf (generated)

005047110.td-b3lyp_6-31+g(d).firefly.inp (generated)

005047110.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005047110.mol 005047110.PUBCHEM 005047110.mol (via Jmol)
005047150.b3lyp_6-31g(d).inp

005047150.b3lyp_6-31g(d).qchem.inp (generated)

005047150.b3lyp_6-31g(d).gjf (generated)

005047150.b3lyp_6-31g(d).firefly.inp (generated)

005047150.b3lyp_6-31g(d).smash.inp (generated)

005047150.b3lyp_6-31g(d).nwchem.inp (generated) 005047150.b3lyp_6-31g(d).log.xz 005047150.td-b3lyp_6-31g+(d).inp 005047150.td-b3lyp_6-31g+(d).log.xz

005047150.td-b3lyp_6-31+g(d).qchem.inp (generated)

005047150.td-b3lyp_6-31+g(d).gjf (generated)

005047150.td-b3lyp_6-31+g(d).firefly.inp (generated)

005047150.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005047150.mol 005047150.PUBCHEM 005047150.mol (via Jmol)
005047212.b3lyp_6-31g(d).inp

005047212.b3lyp_6-31g(d).qchem.inp (generated)

005047212.b3lyp_6-31g(d).gjf (generated)

005047212.b3lyp_6-31g(d).firefly.inp (generated)

005047212.b3lyp_6-31g(d).smash.inp (generated)

005047212.b3lyp_6-31g(d).nwchem.inp (generated) 005047212.b3lyp_6-31g(d).log.xz 005047212.td-b3lyp_6-31g+(d).inp 005047212.td-b3lyp_6-31g+(d).log.xz

005047212.td-b3lyp_6-31+g(d).qchem.inp (generated)

005047212.td-b3lyp_6-31+g(d).gjf (generated)

005047212.td-b3lyp_6-31+g(d).firefly.inp (generated)

005047212.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005047212.mol 005047212.PUBCHEM 005047212.mol (via Jmol)
005047241.b3lyp_6-31g(d).inp

005047241.b3lyp_6-31g(d).qchem.inp (generated)

005047241.b3lyp_6-31g(d).gjf (generated)

005047241.b3lyp_6-31g(d).firefly.inp (generated)

005047241.b3lyp_6-31g(d).smash.inp (generated)

005047241.b3lyp_6-31g(d).nwchem.inp (generated) 005047241.b3lyp_6-31g(d).log.xz 005047241.mol 005047241.PUBCHEM 005047241.mol (via Jmol)
005047264.b3lyp_6-31g(d).inp

005047264.b3lyp_6-31g(d).qchem.inp (generated)

005047264.b3lyp_6-31g(d).gjf (generated)

005047264.b3lyp_6-31g(d).firefly.inp (generated)

005047264.b3lyp_6-31g(d).smash.inp (generated)

005047264.b3lyp_6-31g(d).nwchem.inp (generated) 005047264.b3lyp_6-31g(d).log.xz 005047264.td-b3lyp_6-31g+(d).inp 005047264.td-b3lyp_6-31g+(d).log.xz

005047264.td-b3lyp_6-31+g(d).qchem.inp (generated)

005047264.td-b3lyp_6-31+g(d).gjf (generated)

005047264.td-b3lyp_6-31+g(d).firefly.inp (generated)

005047264.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005047264.mol 005047264.PUBCHEM 005047264.mol (via Jmol)
005047271.b3lyp_6-31g(d).inp

005047271.b3lyp_6-31g(d).qchem.inp (generated)

005047271.b3lyp_6-31g(d).gjf (generated)

005047271.b3lyp_6-31g(d).firefly.inp (generated)

005047271.b3lyp_6-31g(d).smash.inp (generated)

005047271.b3lyp_6-31g(d).nwchem.inp (generated) 005047271.b3lyp_6-31g(d).log.xz 005047271.td-b3lyp_6-31g+(d).inp 005047271.td-b3lyp_6-31g+(d).log.xz

005047271.td-b3lyp_6-31+g(d).qchem.inp (generated)

005047271.td-b3lyp_6-31+g(d).gjf (generated)

005047271.td-b3lyp_6-31+g(d).firefly.inp (generated)

005047271.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005047271.mol 005047271.PUBCHEM 005047271.mol (via Jmol)
005047275.b3lyp_6-31g(d).inp

005047275.b3lyp_6-31g(d).qchem.inp (generated)

005047275.b3lyp_6-31g(d).gjf (generated)

005047275.b3lyp_6-31g(d).firefly.inp (generated)

005047275.b3lyp_6-31g(d).smash.inp (generated)

005047275.b3lyp_6-31g(d).nwchem.inp (generated) 005047275.b3lyp_6-31g(d).log.xz 005047275.td-b3lyp_6-31g+(d).inp 005047275.td-b3lyp_6-31g+(d).log.xz

005047275.td-b3lyp_6-31+g(d).qchem.inp (generated)

005047275.td-b3lyp_6-31+g(d).gjf (generated)

005047275.td-b3lyp_6-31+g(d).firefly.inp (generated)

005047275.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005047275.mol 005047275.PUBCHEM 005047275.mol (via Jmol)
005047304.b3lyp_6-31g(d).inp

005047304.b3lyp_6-31g(d).qchem.inp (generated)

005047304.b3lyp_6-31g(d).gjf (generated)

005047304.b3lyp_6-31g(d).firefly.inp (generated)

005047304.b3lyp_6-31g(d).smash.inp (generated)

005047304.b3lyp_6-31g(d).nwchem.inp (generated) 005047304.b3lyp_6-31g(d).log.xz 005047304.td-b3lyp_6-31g+(d).inp 005047304.td-b3lyp_6-31g+(d).log.xz

005047304.td-b3lyp_6-31+g(d).qchem.inp (generated)

005047304.td-b3lyp_6-31+g(d).gjf (generated)

005047304.td-b3lyp_6-31+g(d).firefly.inp (generated)

005047304.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005047304.mol 005047304.PUBCHEM 005047304.mol (via Jmol)
005047310.b3lyp_6-31g(d).inp

005047310.b3lyp_6-31g(d).qchem.inp (generated)

005047310.b3lyp_6-31g(d).gjf (generated)

005047310.b3lyp_6-31g(d).firefly.inp (generated)

005047310.b3lyp_6-31g(d).smash.inp (generated)

005047310.b3lyp_6-31g(d).nwchem.inp (generated) 005047310.b3lyp_6-31g(d).log.xz 005047310.mol 005047310.PUBCHEM 005047310.mol (via Jmol)
005047467.b3lyp_6-31g