Index of

Last updated : Thu Jun 22 02:29:55 JST 2017
Total : 2267 (1799) in this page
000825015.b3lyp_6-31g(d).inp

000825015.b3lyp_6-31g(d).qchem.inp (generated)

000825015.b3lyp_6-31g(d).gjf (generated)

000825015.b3lyp_6-31g(d).firefly.inp (generated)

000825015.b3lyp_6-31g(d).smash.inp (generated)

000825015.b3lyp_6-31g(d).nwchem.inp (generated) 000825015.b3lyp_6-31g(d).log.xz 000825015.mol 000825015.PUBCHEM 000825015.mol (via Jmol)
000825069.b3lyp_6-31g(d).inp

000825069.b3lyp_6-31g(d).qchem.inp (generated)

000825069.b3lyp_6-31g(d).gjf (generated)

000825069.b3lyp_6-31g(d).firefly.inp (generated)

000825069.b3lyp_6-31g(d).smash.inp (generated)

000825069.b3lyp_6-31g(d).nwchem.inp (generated) 000825069.b3lyp_6-31g(d).log.xz 000825069.td-b3lyp_6-31g+(d).inp 000825069.td-b3lyp_6-31g+(d).log.xz

000825069.td-b3lyp_6-31+g(d).qchem.inp (generated)

000825069.td-b3lyp_6-31+g(d).gjf (generated)

000825069.td-b3lyp_6-31+g(d).firefly.inp (generated)

000825069.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000825069.mol 000825069.PUBCHEM 000825069.mol (via Jmol)
000825070.b3lyp_6-31g(d).inp

000825070.b3lyp_6-31g(d).qchem.inp (generated)

000825070.b3lyp_6-31g(d).gjf (generated)

000825070.b3lyp_6-31g(d).firefly.inp (generated)

000825070.b3lyp_6-31g(d).smash.inp (generated)

000825070.b3lyp_6-31g(d).nwchem.inp (generated) 000825070.b3lyp_6-31g(d).log.xz 000825070.td-b3lyp_6-31g+(d).inp 000825070.td-b3lyp_6-31g+(d).log.xz

000825070.td-b3lyp_6-31+g(d).qchem.inp (generated)

000825070.td-b3lyp_6-31+g(d).gjf (generated)

000825070.td-b3lyp_6-31+g(d).firefly.inp (generated)

000825070.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000825070.mol 000825070.PUBCHEM 000825070.mol (via Jmol)
000825082.b3lyp_6-31g(d).inp

000825082.b3lyp_6-31g(d).qchem.inp (generated)

000825082.b3lyp_6-31g(d).gjf (generated)

000825082.b3lyp_6-31g(d).firefly.inp (generated)

000825082.b3lyp_6-31g(d).smash.inp (generated)

000825082.b3lyp_6-31g(d).nwchem.inp (generated) 000825082.b3lyp_6-31g(d).log.xz 000825082.mol 000825082.PUBCHEM 000825082.mol (via Jmol)
000825084.b3lyp_6-31g(d).inp

000825084.b3lyp_6-31g(d).qchem.inp (generated)

000825084.b3lyp_6-31g(d).gjf (generated)

000825084.b3lyp_6-31g(d).firefly.inp (generated)

000825084.b3lyp_6-31g(d).smash.inp (generated)

000825084.b3lyp_6-31g(d).nwchem.inp (generated) 000825084.b3lyp_6-31g(d).log.xz 000825084.mol 000825084.PUBCHEM 000825084.mol (via Jmol)
000825104.b3lyp_6-31g(d).inp

000825104.b3lyp_6-31g(d).qchem.inp (generated)

000825104.b3lyp_6-31g(d).gjf (generated)

000825104.b3lyp_6-31g(d).firefly.inp (generated)

000825104.b3lyp_6-31g(d).smash.inp (generated)

000825104.b3lyp_6-31g(d).nwchem.inp (generated) 000825104.b3lyp_6-31g(d).log.xz 000825104.td-b3lyp_6-31g+(d).inp 000825104.td-b3lyp_6-31g+(d).log.xz

000825104.td-b3lyp_6-31+g(d).qchem.inp (generated)

000825104.td-b3lyp_6-31+g(d).gjf (generated)

000825104.td-b3lyp_6-31+g(d).firefly.inp (generated)

000825104.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000825104.mol 000825104.PUBCHEM 000825104.mol (via Jmol)
000825109.b3lyp_6-31g(d).inp

000825109.b3lyp_6-31g(d).qchem.inp (generated)

000825109.b3lyp_6-31g(d).gjf (generated)

000825109.b3lyp_6-31g(d).firefly.inp (generated)

000825109.b3lyp_6-31g(d).smash.inp (generated)

000825109.b3lyp_6-31g(d).nwchem.inp (generated) 000825109.b3lyp_6-31g(d).log.xz 000825109.td-b3lyp_6-31g+(d).inp 000825109.td-b3lyp_6-31g+(d).log.xz

000825109.td-b3lyp_6-31+g(d).qchem.inp (generated)

000825109.td-b3lyp_6-31+g(d).gjf (generated)

000825109.td-b3lyp_6-31+g(d).firefly.inp (generated)

000825109.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000825109.mol 000825109.PUBCHEM 000825109.mol (via Jmol)
000825110.b3lyp_6-31g(d).inp

000825110.b3lyp_6-31g(d).qchem.inp (generated)

000825110.b3lyp_6-31g(d).gjf (generated)

000825110.b3lyp_6-31g(d).firefly.inp (generated)

000825110.b3lyp_6-31g(d).smash.inp (generated)

000825110.b3lyp_6-31g(d).nwchem.inp (generated) 000825110.b3lyp_6-31g(d).log.xz 000825110.td-b3lyp_6-31g+(d).inp 000825110.td-b3lyp_6-31g+(d).log.xz

000825110.td-b3lyp_6-31+g(d).qchem.inp (generated)

000825110.td-b3lyp_6-31+g(d).gjf (generated)

000825110.td-b3lyp_6-31+g(d).firefly.inp (generated)

000825110.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000825110.mol 000825110.PUBCHEM 000825110.mol (via Jmol)
000825122.b3lyp_6-31g(d).inp

000825122.b3lyp_6-31g(d).qchem.inp (generated)

000825122.b3lyp_6-31g(d).gjf (generated)

000825122.b3lyp_6-31g(d).firefly.inp (generated)

000825122.b3lyp_6-31g(d).smash.inp (generated)

000825122.b3lyp_6-31g(d).nwchem.inp (generated) 000825122.b3lyp_6-31g(d).log.xz 000825122.mol 000825122.PUBCHEM 000825122.mol (via Jmol)
000825136.b3lyp_6-31g(d).inp

000825136.b3lyp_6-31g(d).qchem.inp (generated)

000825136.b3lyp_6-31g(d).gjf (generated)

000825136.b3lyp_6-31g(d).firefly.inp (generated)

000825136.b3lyp_6-31g(d).smash.inp (generated)

000825136.b3lyp_6-31g(d).nwchem.inp (generated) 000825136.b3lyp_6-31g(d).log.xz 000825136.td-b3lyp_6-31g+(d).inp 000825136.td-b3lyp_6-31g+(d).log.xz

000825136.td-b3lyp_6-31+g(d).qchem.inp (generated)

000825136.td-b3lyp_6-31+g(d).gjf (generated)

000825136.td-b3lyp_6-31+g(d).firefly.inp (generated)

000825136.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000825136.mol 000825136.PUBCHEM 000825136.mol (via Jmol)
000825150.b3lyp_6-31g(d).inp

000825150.b3lyp_6-31g(d).qchem.inp (generated)

000825150.b3lyp_6-31g(d).gjf (generated)

000825150.b3lyp_6-31g(d).firefly.inp (generated)

000825150.b3lyp_6-31g(d).smash.inp (generated)

000825150.b3lyp_6-31g(d).nwchem.inp (generated) 000825150.b3lyp_6-31g(d).log.xz 000825150.td-b3lyp_6-31g+(d).inp 000825150.td-b3lyp_6-31g+(d).log.xz

000825150.td-b3lyp_6-31+g(d).qchem.inp (generated)

000825150.td-b3lyp_6-31+g(d).gjf (generated)

000825150.td-b3lyp_6-31+g(d).firefly.inp (generated)

000825150.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000825150.mol 000825150.PUBCHEM 000825150.mol (via Jmol)
000825151.b3lyp_6-31g(d).inp

000825151.b3lyp_6-31g(d).qchem.inp (generated)

000825151.b3lyp_6-31g(d).gjf (generated)

000825151.b3lyp_6-31g(d).firefly.inp (generated)

000825151.b3lyp_6-31g(d).smash.inp (generated)

000825151.b3lyp_6-31g(d).nwchem.inp (generated) 000825151.b3lyp_6-31g(d).log.xz 000825151.td-b3lyp_6-31g+(d).inp 000825151.td-b3lyp_6-31g+(d).log.xz

000825151.td-b3lyp_6-31+g(d).qchem.inp (generated)

000825151.td-b3lyp_6-31+g(d).gjf (generated)

000825151.td-b3lyp_6-31+g(d).firefly.inp (generated)

000825151.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000825151.mol 000825151.PUBCHEM 000825151.mol (via Jmol)
000825160.b3lyp_6-31g(d).inp

000825160.b3lyp_6-31g(d).qchem.inp (generated)

000825160.b3lyp_6-31g(d).gjf (generated)

000825160.b3lyp_6-31g(d).firefly.inp (generated)

000825160.b3lyp_6-31g(d).smash.inp (generated)

000825160.b3lyp_6-31g(d).nwchem.inp (generated) 000825160.b3lyp_6-31g(d).log.xz 000825160.td-b3lyp_6-31g+(d).inp 000825160.td-b3lyp_6-31g+(d).log.xz

000825160.td-b3lyp_6-31+g(d).qchem.inp (generated)

000825160.td-b3lyp_6-31+g(d).gjf (generated)

000825160.td-b3lyp_6-31+g(d).firefly.inp (generated)

000825160.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000825160.mol 000825160.PUBCHEM 000825160.mol (via Jmol)
000825174.b3lyp_6-31g(d).inp

000825174.b3lyp_6-31g(d).qchem.inp (generated)

000825174.b3lyp_6-31g(d).gjf (generated)

000825174.b3lyp_6-31g(d).firefly.inp (generated)

000825174.b3lyp_6-31g(d).smash.inp (generated)

000825174.b3lyp_6-31g(d).nwchem.inp (generated) 000825174.b3lyp_6-31g(d).log.xz 000825174.td-b3lyp_6-31g+(d).inp 000825174.td-b3lyp_6-31g+(d).log.xz

000825174.td-b3lyp_6-31+g(d).qchem.inp (generated)

000825174.td-b3lyp_6-31+g(d).gjf (generated)

000825174.td-b3lyp_6-31+g(d).firefly.inp (generated)

000825174.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000825174.mol 000825174.PUBCHEM 000825174.mol (via Jmol)
000825177.b3lyp_6-31g(d).inp

000825177.b3lyp_6-31g(d).qchem.inp (generated)

000825177.b3lyp_6-31g(d).gjf (generated)

000825177.b3lyp_6-31g(d).firefly.inp (generated)

000825177.b3lyp_6-31g(d).smash.inp (generated)

000825177.b3lyp_6-31g(d).nwchem.inp (generated) 000825177.b3lyp_6-31g(d).log.xz 000825177.mol 000825177.PUBCHEM 000825177.mol (via Jmol)
000825191.b3lyp_6-31g(d).inp

000825191.b3lyp_6-31g(d).qchem.inp (generated)

000825191.b3lyp_6-31g(d).gjf (generated)

000825191.b3lyp_6-31g(d).firefly.inp (generated)

000825191.b3lyp_6-31g(d).smash.inp (generated)

000825191.b3lyp_6-31g(d).nwchem.inp (generated) 000825191.b3lyp_6-31g(d).log.xz 000825191.td-b3lyp_6-31g+(d).inp 000825191.td-b3lyp_6-31g+(d).log.xz

000825191.td-b3lyp_6-31+g(d).qchem.inp (generated)

000825191.td-b3lyp_6-31+g(d).gjf (generated)

000825191.td-b3lyp_6-31+g(d).firefly.inp (generated)

000825191.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000825191.mol 000825191.PUBCHEM 000825191.mol (via Jmol)
000825192.b3lyp_6-31g(d).inp

000825192.b3lyp_6-31g(d).qchem.inp (generated)

000825192.b3lyp_6-31g(d).gjf (generated)

000825192.b3lyp_6-31g(d).firefly.inp (generated)

000825192.b3lyp_6-31g(d).smash.inp (generated)

000825192.b3lyp_6-31g(d).nwchem.inp (generated) 000825192.b3lyp_6-31g(d).log.xz 000825192.td-b3lyp_6-31g+(d).inp 000825192.td-b3lyp_6-31g+(d).log.xz

000825192.td-b3lyp_6-31+g(d).qchem.inp (generated)

000825192.td-b3lyp_6-31+g(d).gjf (generated)

000825192.td-b3lyp_6-31+g(d).firefly.inp (generated)

000825192.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000825192.mol 000825192.PUBCHEM 000825192.mol (via Jmol)
000825208.b3lyp_6-31g(d).inp

000825208.b3lyp_6-31g(d).qchem.inp (generated)

000825208.b3lyp_6-31g(d).gjf (generated)

000825208.b3lyp_6-31g(d).firefly.inp (generated)

000825208.b3lyp_6-31g(d).smash.inp (generated)

000825208.b3lyp_6-31g(d).nwchem.inp (generated) 000825208.b3lyp_6-31g(d).log.xz 000825208.mol 000825208.PUBCHEM 000825208.mol (via Jmol)
000825214.b3lyp_6-31g(d).inp

000825214.b3lyp_6-31g(d).qchem.inp (generated)

000825214.b3lyp_6-31g(d).gjf (generated)

000825214.b3lyp_6-31g(d).firefly.inp (generated)

000825214.b3lyp_6-31g(d).smash.inp (generated)

000825214.b3lyp_6-31g(d).nwchem.inp (generated) 000825214.b3lyp_6-31g(d).log.xz 000825214.td-b3lyp_6-31g+(d).inp 000825214.td-b3lyp_6-31g+(d).log.xz

000825214.td-b3lyp_6-31+g(d).qchem.inp (generated)

000825214.td-b3lyp_6-31+g(d).gjf (generated)

000825214.td-b3lyp_6-31+g(d).firefly.inp (generated)

000825214.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000825214.mol 000825214.PUBCHEM 000825214.mol (via Jmol)
000825284.b3lyp_6-31g(d).inp

000825284.b3lyp_6-31g(d).qchem.inp (generated)

000825284.b3lyp_6-31g(d).gjf (generated)

000825284.b3lyp_6-31g(d).firefly.inp (generated)

000825284.b3lyp_6-31g(d).smash.inp (generated)

000825284.b3lyp_6-31g(d).nwchem.inp (generated) 000825284.b3lyp_6-31g(d).log.xz 000825284.td-b3lyp_6-31g+(d).inp 000825284.td-b3lyp_6-31g+(d).log.xz

000825284.td-b3lyp_6-31+g(d).qchem.inp (generated)

000825284.td-b3lyp_6-31+g(d).gjf (generated)

000825284.td-b3lyp_6-31+g(d).firefly.inp (generated)

000825284.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000825284.mol 000825284.PUBCHEM 000825284.mol (via Jmol)
000825285.b3lyp_6-31g(d).inp

000825285.b3lyp_6-31g(d).qchem.inp (generated)

000825285.b3lyp_6-31g(d).gjf (generated)

000825285.b3lyp_6-31g(d).firefly.inp (generated)

000825285.b3lyp_6-31g(d).smash.inp (generated)

000825285.b3lyp_6-31g(d).nwchem.inp (generated) 000825285.b3lyp_6-31g(d).log.xz 000825285.td-b3lyp_6-31g+(d).inp 000825285.td-b3lyp_6-31g+(d).log.xz

000825285.td-b3lyp_6-31+g(d).qchem.inp (generated)

000825285.td-b3lyp_6-31+g(d).gjf (generated)

000825285.td-b3lyp_6-31+g(d).firefly.inp (generated)

000825285.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000825285.mol 000825285.PUBCHEM 000825285.mol (via Jmol)
000825289.b3lyp_6-31g(d).inp

000825289.b3lyp_6-31g(d).qchem.inp (generated)

000825289.b3lyp_6-31g(d).gjf (generated)

000825289.b3lyp_6-31g(d).firefly.inp (generated)

000825289.b3lyp_6-31g(d).smash.inp (generated)

000825289.b3lyp_6-31g(d).nwchem.inp (generated) 000825289.b3lyp_6-31g(d).log.xz 000825289.td-b3lyp_6-31g+(d).inp 000825289.td-b3lyp_6-31g+(d).log.xz

000825289.td-b3lyp_6-31+g(d).qchem.inp (generated)

000825289.td-b3lyp_6-31+g(d).gjf (generated)

000825289.td-b3lyp_6-31+g(d).firefly.inp (generated)

000825289.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000825289.mol 000825289.PUBCHEM 000825289.mol (via Jmol)
000825292.b3lyp_6-31g(d).inp

000825292.b3lyp_6-31g(d).qchem.inp (generated)

000825292.b3lyp_6-31g(d).gjf (generated)

000825292.b3lyp_6-31g(d).firefly.inp (generated)

000825292.b3lyp_6-31g(d).smash.inp (generated)

000825292.b3lyp_6-31g(d).nwchem.inp (generated) 000825292.b3lyp_6-31g(d).log.xz 000825292.td-b3lyp_6-31g+(d).inp 000825292.td-b3lyp_6-31g+(d).log.xz

000825292.td-b3lyp_6-31+g(d).qchem.inp (generated)

000825292.td-b3lyp_6-31+g(d).gjf (generated)

000825292.td-b3lyp_6-31+g(d).firefly.inp (generated)

000825292.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000825292.mol 000825292.PUBCHEM 000825292.mol (via Jmol)
000825293.b3lyp_6-31g(d).inp

000825293.b3lyp_6-31g(d).qchem.inp (generated)

000825293.b3lyp_6-31g(d).gjf (generated)

000825293.b3lyp_6-31g(d).firefly.inp (generated)

000825293.b3lyp_6-31g(d).smash.inp (generated)

000825293.b3lyp_6-31g(d).nwchem.inp (generated) 000825293.b3lyp_6-31g(d).log.xz 000825293.td-b3lyp_6-31g+(d).inp 000825293.td-b3lyp_6-31g+(d).log.xz

000825293.td-b3lyp_6-31+g(d).qchem.inp (generated)

000825293.td-b3lyp_6-31+g(d).gjf (generated)

000825293.td-b3lyp_6-31+g(d).firefly.inp (generated)

000825293.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000825293.mol 000825293.PUBCHEM 000825293.mol (via Jmol)
000825294.b3lyp_6-31g(d).inp

000825294.b3lyp_6-31g(d).qchem.inp (generated)

000825294.b3lyp_6-31g(d).gjf (generated)

000825294.b3lyp_6-31g(d).firefly.inp (generated)

000825294.b3lyp_6-31g(d).smash.inp (generated)

000825294.b3lyp_6-31g(d).nwchem.inp (generated) 000825294.b3lyp_6-31g(d).log.xz 000825294.td-b3lyp_6-31g+(d).inp 000825294.td-b3lyp_6-31g+(d).log.xz

000825294.td-b3lyp_6-31+g(d).qchem.inp (generated)

000825294.td-b3lyp_6-31+g(d).gjf (generated)

000825294.td-b3lyp_6-31+g(d).firefly.inp (generated)

000825294.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000825294.mol 000825294.PUBCHEM 000825294.mol (via Jmol)
000825295.b3lyp_6-31g(d).inp

000825295.b3lyp_6-31g(d).qchem.inp (generated)

000825295.b3lyp_6-31g(d).gjf (generated)

000825295.b3lyp_6-31g(d).firefly.inp (generated)

000825295.b3lyp_6-31g(d).smash.inp (generated)

000825295.b3lyp_6-31g(d).nwchem.inp (generated) 000825295.b3lyp_6-31g(d).log.xz 000825295.td-b3lyp_6-31g+(d).inp 000825295.td-b3lyp_6-31g+(d).log.xz

000825295.td-b3lyp_6-31+g(d).qchem.inp (generated)

000825295.td-b3lyp_6-31+g(d).gjf (generated)

000825295.td-b3lyp_6-31+g(d).firefly.inp (generated)

000825295.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000825295.mol 000825295.PUBCHEM 000825295.mol (via Jmol)
000825296.b3lyp_6-31g(d).inp

000825296.b3lyp_6-31g(d).qchem.inp (generated)

000825296.b3lyp_6-31g(d).gjf (generated)

000825296.b3lyp_6-31g(d).firefly.inp (generated)

000825296.b3lyp_6-31g(d).smash.inp (generated)

000825296.b3lyp_6-31g(d).nwchem.inp (generated) 000825296.b3lyp_6-31g(d).log.xz 000825296.td-b3lyp_6-31g+(d).inp 000825296.td-b3lyp_6-31g+(d).log.xz

000825296.td-b3lyp_6-31+g(d).qchem.inp (generated)

000825296.td-b3lyp_6-31+g(d).gjf (generated)

000825296.td-b3lyp_6-31+g(d).firefly.inp (generated)

000825296.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000825296.mol 000825296.PUBCHEM 000825296.mol (via Jmol)
000825310.b3lyp_6-31g(d).inp

000825310.b3lyp_6-31g(d).qchem.inp (generated)

000825310.b3lyp_6-31g(d).gjf (generated)

000825310.b3lyp_6-31g(d).firefly.inp (generated)

000825310.b3lyp_6-31g(d).smash.inp (generated)

000825310.b3lyp_6-31g(d).nwchem.inp (generated) 000825310.b3lyp_6-31g(d).log.xz 000825310.td-b3lyp_6-31g+(d).inp 000825310.td-b3lyp_6-31g+(d).log.xz

000825310.td-b3lyp_6-31+g(d).qchem.inp (generated)

000825310.td-b3lyp_6-31+g(d).gjf (generated)

000825310.td-b3lyp_6-31+g(d).firefly.inp (generated)

000825310.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000825310.mol 000825310.PUBCHEM 000825310.mol (via Jmol)
000825312.b3lyp_6-31g(d).inp

000825312.b3lyp_6-31g(d).qchem.inp (generated)

000825312.b3lyp_6-31g(d).gjf (generated)

000825312.b3lyp_6-31g(d).firefly.inp (generated)

000825312.b3lyp_6-31g(d).smash.inp (generated)

000825312.b3lyp_6-31g(d).nwchem.inp (generated) 000825312.b3lyp_6-31g(d).log.xz 000825312.td-b3lyp_6-31g+(d).inp 000825312.td-b3lyp_6-31g+(d).log.xz

000825312.td-b3lyp_6-31+g(d).qchem.inp (generated)

000825312.td-b3lyp_6-31+g(d).gjf (generated)

000825312.td-b3lyp_6-31+g(d).firefly.inp (generated)

000825312.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000825312.mol 000825312.PUBCHEM 000825312.mol (via Jmol)
000825314.b3lyp_6-31g(d).inp

000825314.b3lyp_6-31g(d).qchem.inp (generated)

000825314.b3lyp_6-31g(d).gjf (generated)

000825314.b3lyp_6-31g(d).firefly.inp (generated)

000825314.b3lyp_6-31g(d).smash.inp (generated)

000825314.b3lyp_6-31g(d).nwchem.inp (generated) 000825314.b3lyp_6-31g(d).log.xz 000825314.td-b3lyp_6-31g+(d).inp 000825314.td-b3lyp_6-31g+(d).log.xz

000825314.td-b3lyp_6-31+g(d).qchem.inp (generated)

000825314.td-b3lyp_6-31+g(d).gjf (generated)

000825314.td-b3lyp_6-31+g(d).firefly.inp (generated)

000825314.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000825314.mol 000825314.PUBCHEM 000825314.mol (via Jmol)
000825315.b3lyp_6-31g(d).inp

000825315.b3lyp_6-31g(d).qchem.inp (generated)

000825315.b3lyp_6-31g(d).gjf (generated)

000825315.b3lyp_6-31g(d).firefly.inp (generated)

000825315.b3lyp_6-31g(d).smash.inp (generated)

000825315.b3lyp_6-31g(d).nwchem.inp (generated) 000825315.b3lyp_6-31g(d).log.xz 000825315.td-b3lyp_6-31g+(d).inp 000825315.td-b3lyp_6-31g+(d).log.xz

000825315.td-b3lyp_6-31+g(d).qchem.inp (generated)

000825315.td-b3lyp_6-31+g(d).gjf (generated)

000825315.td-b3lyp_6-31+g(d).firefly.inp (generated)

000825315.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000825315.mol 000825315.PUBCHEM 000825315.mol (via Jmol)
000825316.b3lyp_6-31g(d).inp

000825316.b3lyp_6-31g(d).qchem.inp (generated)

000825316.b3lyp_6-31g(d).gjf (generated)

000825316.b3lyp_6-31g(d).firefly.inp (generated)

000825316.b3lyp_6-31g(d).smash.inp (generated)

000825316.b3lyp_6-31g(d).nwchem.inp (generated) 000825316.b3lyp_6-31g(d).log.xz 000825316.td-b3lyp_6-31g+(d).inp 000825316.td-b3lyp_6-31g+(d).log.xz

000825316.td-b3lyp_6-31+g(d).qchem.inp (generated)

000825316.td-b3lyp_6-31+g(d).gjf (generated)

000825316.td-b3lyp_6-31+g(d).firefly.inp (generated)

000825316.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000825316.mol 000825316.PUBCHEM 000825316.mol (via Jmol)
000825317.b3lyp_6-31g(d).inp

000825317.b3lyp_6-31g(d).qchem.inp (generated)

000825317.b3lyp_6-31g(d).gjf (generated)

000825317.b3lyp_6-31g(d).firefly.inp (generated)

000825317.b3lyp_6-31g(d).smash.inp (generated)

000825317.b3lyp_6-31g(d).nwchem.inp (generated) 000825317.b3lyp_6-31g(d).log.xz 000825317.td-b3lyp_6-31g+(d).inp 000825317.td-b3lyp_6-31g+(d).log.xz

000825317.td-b3lyp_6-31+g(d).qchem.inp (generated)

000825317.td-b3lyp_6-31+g(d).gjf (generated)

000825317.td-b3lyp_6-31+g(d).firefly.inp (generated)

000825317.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000825317.mol 000825317.PUBCHEM 000825317.mol (via Jmol)
000825321.b3lyp_6-31g(d).inp

000825321.b3lyp_6-31g(d).qchem.inp (generated)

000825321.b3lyp_6-31g(d).gjf (generated)

000825321.b3lyp_6-31g(d).firefly.inp (generated)

000825321.b3lyp_6-31g(d).smash.inp (generated)

000825321.b3lyp_6-31g(d).nwchem.inp (generated) 000825321.b3lyp_6-31g(d).log.xz 000825321.td-b3lyp_6-31g+(d).inp 000825321.td-b3lyp_6-31g+(d).log.xz

000825321.td-b3lyp_6-31+g(d).qchem.inp (generated)

000825321.td-b3lyp_6-31+g(d).gjf (generated)

000825321.td-b3lyp_6-31+g(d).firefly.inp (generated)

000825321.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000825321.mol 000825321.PUBCHEM 000825321.mol (via Jmol)
000825326.b3lyp_6-31g(d).inp

000825326.b3lyp_6-31g(d).qchem.inp (generated)

000825326.b3lyp_6-31g(d).gjf (generated)

000825326.b3lyp_6-31g(d).firefly.inp (generated)

000825326.b3lyp_6-31g(d).smash.inp (generated)

000825326.b3lyp_6-31g(d).nwchem.inp (generated) 000825326.b3lyp_6-31g(d).log.xz 000825326.td-b3lyp_6-31g+(d).inp 000825326.td-b3lyp_6-31g+(d).log.xz

000825326.td-b3lyp_6-31+g(d).qchem.inp (generated)

000825326.td-b3lyp_6-31+g(d).gjf (generated)

000825326.td-b3lyp_6-31+g(d).firefly.inp (generated)

000825326.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000825326.mol 000825326.PUBCHEM 000825326.mol (via Jmol)
000825328.b3lyp_6-31g(d).inp

000825328.b3lyp_6-31g(d).qchem.inp (generated)

000825328.b3lyp_6-31g(d).gjf (generated)

000825328.b3lyp_6-31g(d).firefly.inp (generated)

000825328.b3lyp_6-31g(d).smash.inp (generated)

000825328.b3lyp_6-31g(d).nwchem.inp (generated) 000825328.b3lyp_6-31g(d).log.xz 000825328.td-b3lyp_6-31g+(d).inp 000825328.td-b3lyp_6-31g+(d).log.xz

000825328.td-b3lyp_6-31+g(d).qchem.inp (generated)

000825328.td-b3lyp_6-31+g(d).gjf (generated)

000825328.td-b3lyp_6-31+g(d).firefly.inp (generated)

000825328.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000825328.mol 000825328.PUBCHEM 000825328.mol (via Jmol)
000825334.b3lyp_6-31g(d).inp

000825334.b3lyp_6-31g(d).qchem.inp (generated)

000825334.b3lyp_6-31g(d).gjf (generated)

000825334.b3lyp_6-31g(d).firefly.inp (generated)

000825334.b3lyp_6-31g(d).smash.inp (generated)

000825334.b3lyp_6-31g(d).nwchem.inp (generated) 000825334.b3lyp_6-31g(d).log.xz 000825334.td-b3lyp_6-31g+(d).inp 000825334.td-b3lyp_6-31g+(d).log.xz

000825334.td-b3lyp_6-31+g(d).qchem.inp (generated)

000825334.td-b3lyp_6-31+g(d).gjf (generated)

000825334.td-b3lyp_6-31+g(d).firefly.inp (generated)

000825334.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000825334.mol 000825334.PUBCHEM 000825334.mol (via Jmol)
000825336.b3lyp_6-31g(d).inp

000825336.b3lyp_6-31g(d).qchem.inp (generated)

000825336.b3lyp_6-31g(d).gjf (generated)

000825336.b3lyp_6-31g(d).firefly.inp (generated)

000825336.b3lyp_6-31g(d).smash.inp (generated)

000825336.b3lyp_6-31g(d).nwchem.inp (generated) 000825336.b3lyp_6-31g(d).log.xz 000825336.mol 000825336.PUBCHEM 000825336.mol (via Jmol)
000825339.b3lyp_6-31g(d).inp

000825339.b3lyp_6-31g(d).qchem.inp (generated)

000825339.b3lyp_6-31g(d).gjf (generated)

000825339.b3lyp_6-31g(d).firefly.inp (generated)

000825339.b3lyp_6-31g(d).smash.inp (generated)

000825339.b3lyp_6-31g(d).nwchem.inp (generated) 000825339.b3lyp_6-31g(d).log.xz 000825339.td-b3lyp_6-31g+(d).inp 000825339.td-b3lyp_6-31g+(d).log.xz

000825339.td-b3lyp_6-31+g(d).qchem.inp (generated)

000825339.td-b3lyp_6-31+g(d).gjf (generated)

000825339.td-b3lyp_6-31+g(d).firefly.inp (generated)

000825339.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000825339.mol 000825339.PUBCHEM 000825339.mol (via Jmol)
000825343.b3lyp_6-31g(d).inp

000825343.b3lyp_6-31g(d).qchem.inp (generated)

000825343.b3lyp_6-31g(d).gjf (generated)

000825343.b3lyp_6-31g(d).firefly.inp (generated)

000825343.b3lyp_6-31g(d).smash.inp (generated)

000825343.b3lyp_6-31g(d).nwchem.inp (generated) 000825343.b3lyp_6-31g(d).log.xz 000825343.td-b3lyp_6-31g+(d).inp 000825343.td-b3lyp_6-31g+(d).log.xz

000825343.td-b3lyp_6-31+g(d).qchem.inp (generated)

000825343.td-b3lyp_6-31+g(d).gjf (generated)

000825343.td-b3lyp_6-31+g(d).firefly.inp (generated)

000825343.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000825343.mol 000825343.PUBCHEM 000825343.mol (via Jmol)
000825351.b3lyp_6-31g(d).inp

000825351.b3lyp_6-31g(d).qchem.inp (generated)

000825351.b3lyp_6-31g(d).gjf (generated)

000825351.b3lyp_6-31g(d).firefly.inp (generated)

000825351.b3lyp_6-31g(d).smash.inp (generated)

000825351.b3lyp_6-31g(d).nwchem.inp (generated) 000825351.b3lyp_6-31g(d).log.xz 000825351.td-b3lyp_6-31g+(d).inp 000825351.td-b3lyp_6-31g+(d).log.xz

000825351.td-b3lyp_6-31+g(d).qchem.inp (generated)

000825351.td-b3lyp_6-31+g(d).gjf (generated)

000825351.td-b3lyp_6-31+g(d).firefly.inp (generated)

000825351.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000825351.mol 000825351.PUBCHEM 000825351.mol (via Jmol)
000825361.b3lyp_6-31g(d).inp

000825361.b3lyp_6-31g(d).qchem.inp (generated)

000825361.b3lyp_6-31g(d).gjf (generated)

000825361.b3lyp_6-31g(d).firefly.inp (generated)

000825361.b3lyp_6-31g(d).smash.inp (generated)

000825361.b3lyp_6-31g(d).nwchem.inp (generated) 000825361.b3lyp_6-31g(d).log.xz 000825361.td-b3lyp_6-31g+(d).inp 000825361.td-b3lyp_6-31g+(d).log.xz

000825361.td-b3lyp_6-31+g(d).qchem.inp (generated)

000825361.td-b3lyp_6-31+g(d).gjf (generated)

000825361.td-b3lyp_6-31+g(d).firefly.inp (generated)

000825361.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000825361.mol 000825361.PUBCHEM 000825361.mol (via Jmol)
000825363.b3lyp_6-31g(d).inp

000825363.b3lyp_6-31g(d).qchem.inp (generated)

000825363.b3lyp_6-31g(d).gjf (generated)

000825363.b3lyp_6-31g(d).firefly.inp (generated)

000825363.b3lyp_6-31g(d).smash.inp (generated)

000825363.b3lyp_6-31g(d).nwchem.inp (generated) 000825363.b3lyp_6-31g(d).log.xz 000825363.td-b3lyp_6-31g+(d).inp 000825363.td-b3lyp_6-31g+(d).log.xz

000825363.td-b3lyp_6-31+g(d).qchem.inp (generated)

000825363.td-b3lyp_6-31+g(d).gjf (generated)

000825363.td-b3lyp_6-31+g(d).firefly.inp (generated)

000825363.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000825363.mol 000825363.PUBCHEM 000825363.mol (via Jmol)
000825369.b3lyp_6-31g(d).inp

000825369.b3lyp_6-31g(d).qchem.inp (generated)

000825369.b3lyp_6-31g(d).gjf (generated)

000825369.b3lyp_6-31g(d).firefly.inp (generated)

000825369.b3lyp_6-31g(d).smash.inp (generated)

000825369.b3lyp_6-31g(d).nwchem.inp (generated) 000825369.b3lyp_6-31g(d).log.xz 000825369.td-b3lyp_6-31g+(d).inp 000825369.td-b3lyp_6-31g+(d).log.xz

000825369.td-b3lyp_6-31+g(d).qchem.inp (generated)

000825369.td-b3lyp_6-31+g(d).gjf (generated)

000825369.td-b3lyp_6-31+g(d).firefly.inp (generated)

000825369.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000825369.mol 000825369.PUBCHEM 000825369.mol (via Jmol)
000825372.b3lyp_6-31g(d).inp

000825372.b3lyp_6-31g(d).qchem.inp (generated)

000825372.b3lyp_6-31g(d).gjf (generated)

000825372.b3lyp_6-31g(d).firefly.inp (generated)

000825372.b3lyp_6-31g(d).smash.inp (generated)

000825372.b3lyp_6-31g(d).nwchem.inp (generated) 000825372.b3lyp_6-31g(d).log.xz 000825372.td-b3lyp_6-31g+(d).inp 000825372.td-b3lyp_6-31g+(d).log.xz

000825372.td-b3lyp_6-31+g(d).qchem.inp (generated)

000825372.td-b3lyp_6-31+g(d).gjf (generated)

000825372.td-b3lyp_6-31+g(d).firefly.inp (generated)

000825372.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000825372.mol 000825372.PUBCHEM 000825372.mol (via Jmol)
000825378.b3lyp_6-31g(d).inp

000825378.b3lyp_6-31g(d).qchem.inp (generated)

000825378.b3lyp_6-31g(d).gjf (generated)

000825378.b3lyp_6-31g(d).firefly.inp (generated)

000825378.b3lyp_6-31g(d).smash.inp (generated)

000825378.b3lyp_6-31g(d).nwchem.inp (generated) 000825378.b3lyp_6-31g(d).log.xz 000825378.td-b3lyp_6-31g+(d).inp 000825378.td-b3lyp_6-31g+(d).log.xz

000825378.td-b3lyp_6-31+g(d).qchem.inp (generated)

000825378.td-b3lyp_6-31+g(d).gjf (generated)

000825378.td-b3lyp_6-31+g(d).firefly.inp (generated)

000825378.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000825378.mol 000825378.PUBCHEM 000825378.mol (via Jmol)
000825385.b3lyp_6-31g(d).inp

000825385.b3lyp_6-31g(d).qchem.inp (generated)

000825385.b3lyp_6-31g(d).gjf (generated)

000825385.b3lyp_6-31g(d).firefly.inp (generated)

000825385.b3lyp_6-31g(d).smash.inp (generated)

000825385.b3lyp_6-31g(d).nwchem.inp (generated) 000825385.b3lyp_6-31g(d).log.xz 000825385.td-b3lyp_6-31g+(d).inp 000825385.td-b3lyp_6-31g+(d).log.xz

000825385.td-b3lyp_6-31+g(d).qchem.inp (generated)

000825385.td-b3lyp_6-31+g(d).gjf (generated)

000825385.td-b3lyp_6-31+g(d).firefly.inp (generated)

000825385.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000825385.mol 000825385.PUBCHEM 000825385.mol (via Jmol)
000825402.b3lyp_6-31g(d).inp

000825402.b3lyp_6-31g(d).qchem.inp (generated)

000825402.b3lyp_6-31g(d).gjf (generated)

000825402.b3lyp_6-31g(d).firefly.inp (generated)

000825402.b3lyp_6-31g(d).smash.inp (generated)

000825402.b3lyp_6-31g(d).nwchem.inp (generated) 000825402.b3lyp_6-31g(d).log.xz 000825402.td-b3lyp_6-31g+(d).inp 000825402.td-b3lyp_6-31g+(d).log.xz

000825402.td-b3lyp_6-31+g(d).qchem.inp (generated)

000825402.td-b3lyp_6-31+g(d).gjf (generated)

000825402.td-b3lyp_6-31+g(d).firefly.inp (generated)

000825402.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000825402.mol 000825402.PUBCHEM 000825402.mol (via Jmol)
000825410.b3lyp_6-31g(d).inp

000825410.b3lyp_6-31g(d).qchem.inp (generated)

000825410.b3lyp_6-31g(d).gjf (generated)

000825410.b3lyp_6-31g(d).firefly.inp (generated)

000825410.b3lyp_6-31g(d).smash.inp (generated)

000825410.b3lyp_6-31g(d).nwchem.inp (generated) 000825410.b3lyp_6-31g(d).log.xz 000825410.td-b3lyp_6-31g+(d).inp 000825410.td-b3lyp_6-31g+(d).log.xz

000825410.td-b3lyp_6-31+g(d).qchem.inp (generated)

000825410.td-b3lyp_6-31+g(d).gjf (generated)

000825410.td-b3lyp_6-31+g(d).firefly.inp (generated)

000825410.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000825410.mol 000825410.PUBCHEM 000825410.mol (via Jmol)
000825415.b3lyp_6-31g(d).inp

000825415.b3lyp_6-31g(d).qchem.inp (generated)

000825415.b3lyp_6-31g(d).gjf (generated)

000825415.b3lyp_6-31g(d).firefly.inp (generated)

000825415.b3lyp_6-31g(d).smash.inp (generated)

000825415.b3lyp_6-31g(d).nwchem.inp (generated) 000825415.b3lyp_6-31g(d).log.xz 000825415.td-b3lyp_6-31g+(d).inp 000825415.td-b3lyp_6-31g+(d).log.xz

000825415.td-b3lyp_6-31+g(d).qchem.inp (generated)

000825415.td-b3lyp_6-31+g(d).gjf (generated)

000825415.td-b3lyp_6-31+g(d).firefly.inp (generated)

000825415.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000825415.mol 000825415.PUBCHEM 000825415.mol (via Jmol)
000825417.b3lyp_6-31g(d).inp

000825417.b3lyp_6-31g(d).qchem.inp (generated)

000825417.b3lyp_6-31g(d).gjf (generated)

000825417.b3lyp_6-31g(d).firefly.inp (generated)

000825417.b3lyp_6-31g(d).smash.inp (generated)

000825417.b3lyp_6-31g(d).nwchem.inp (generated) 000825417.b3lyp_6-31g(d).log.xz 000825417.td-b3lyp_6-31g+(d).inp 000825417.td-b3lyp_6-31g+(d).log.xz

000825417.td-b3lyp_6-31+g(d).qchem.inp (generated)

000825417.td-b3lyp_6-31+g(d).gjf (generated)

000825417.td-b3lyp_6-31+g(d).firefly.inp (generated)

000825417.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000825417.mol 000825417.PUBCHEM 000825417.mol (via Jmol)
000825424.b3lyp_6-31g(d).inp

000825424.b3lyp_6-31g(d).qchem.inp (generated)

000825424.b3lyp_6-31g(d).gjf (generated)

000825424.b3lyp_6-31g(d).firefly.inp (generated)

000825424.b3lyp_6-31g(d).smash.inp (generated)

000825424.b3lyp_6-31g(d).nwchem.inp (generated) 000825424.b3lyp_6-31g(d).log.xz 000825424.td-b3lyp_6-31g+(d).inp 000825424.td-b3lyp_6-31g+(d).log.xz

000825424.td-b3lyp_6-31+g(d).qchem.inp (generated)

000825424.td-b3lyp_6-31+g(d).gjf (generated)

000825424.td-b3lyp_6-31+g(d).firefly.inp (generated)

000825424.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000825424.mol 000825424.PUBCHEM 000825424.mol (via Jmol)
000825456.b3lyp_6-31g(d).inp

000825456.b3lyp_6-31g(d).qchem.inp (generated)

000825456.b3lyp_6-31g(d).gjf (generated)

000825456.b3lyp_6-31g(d).firefly.inp (generated)

000825456.b3lyp_6-31g(d).smash.inp (generated)

000825456.b3lyp_6-31g(d).nwchem.inp (generated) 000825456.b3lyp_6-31g(d).log.xz 000825456.td-b3lyp_6-31g+(d).inp 000825456.td-b3lyp_6-31g+(d).log.xz

000825456.td-b3lyp_6-31+g(d).qchem.inp (generated)

000825456.td-b3lyp_6-31+g(d).gjf (generated)

000825456.td-b3lyp_6-31+g(d).firefly.inp (generated)

000825456.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000825456.mol 000825456.PUBCHEM 000825456.mol (via Jmol)
000825463.b3lyp_6-31g(d).inp

000825463.b3lyp_6-31g(d).qchem.inp (generated)

000825463.b3lyp_6-31g(d).gjf (generated)

000825463.b3lyp_6-31g(d).firefly.inp (generated)

000825463.b3lyp_6-31g(d).smash.inp (generated)

000825463.b3lyp_6-31g(d).nwchem.inp (generated) 000825463.b3lyp_6-31g(d).log.xz 000825463.mol 000825463.PUBCHEM 000825463.mol (via Jmol)
000825473.b3lyp_6-31g(d).inp

000825473.b3lyp_6-31g(d).qchem.inp (generated)

000825473.b3lyp_6-31g(d).gjf (generated)

000825473.b3lyp_6-31g(d).firefly.inp (generated)

000825473.b3lyp_6-31g(d).smash.inp (generated)

000825473.b3lyp_6-31g(d).nwchem.inp (generated) 000825473.b3lyp_6-31g(d).log.xz 000825473.mol 000825473.PUBCHEM 000825473.mol (via Jmol)
000825474.b3lyp_6-31g(d).inp

000825474.b3lyp_6-31g(d).qchem.inp (generated)

000825474.b3lyp_6-31g(d).gjf (generated)

000825474.b3lyp_6-31g(d).firefly.inp (generated)

000825474.b3lyp_6-31g(d).smash.inp (generated)

000825474.b3lyp_6-31g(d).nwchem.inp (generated) 000825474.b3lyp_6-31g(d).log.xz 000825474.mol 000825474.PUBCHEM 000825474.mol (via Jmol)
000825484.b3lyp_6-31g(d).inp

000825484.b3lyp_6-31g(d).qchem.inp (generated)

000825484.b3lyp_6-31g(d).gjf (generated)

000825484.b3lyp_6-31g(d).firefly.inp (generated)

000825484.b3lyp_6-31g(d).smash.inp (generated)

000825484.b3lyp_6-31g(d).nwchem.inp (generated) 000825484.b3lyp_6-31g(d).log.xz 000825484.td-b3lyp_6-31g+(d).inp 000825484.td-b3lyp_6-31g+(d).log.xz

000825484.td-b3lyp_6-31+g(d).qchem.inp (generated)

000825484.td-b3lyp_6-31+g(d).gjf (generated)

000825484.td-b3lyp_6-31+g(d).firefly.inp (generated)

000825484.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000825484.mol 000825484.PUBCHEM 000825484.mol (via Jmol)
000825489.b3lyp_6-31g(d).inp

000825489.b3lyp_6-31g(d).qchem.inp (generated)

000825489.b3lyp_6-31g(d).gjf (generated)

000825489.b3lyp_6-31g(d).firefly.inp (generated)

000825489.b3lyp_6-31g(d).smash.inp (generated)

000825489.b3lyp_6-31g(d).nwchem.inp (generated) 000825489.b3lyp_6-31g(d).log.xz 000825489.td-b3lyp_6-31g+(d).inp 000825489.td-b3lyp_6-31g+(d).log.xz

000825489.td-b3lyp_6-31+g(d).qchem.inp (generated)

000825489.td-b3lyp_6-31+g(d).gjf (generated)

000825489.td-b3lyp_6-31+g(d).firefly.inp (generated)

000825489.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000825489.mol 000825489.PUBCHEM 000825489.mol (via Jmol)
000825506.b3lyp_6-31g(d).inp

000825506.b3lyp_6-31g(d).qchem.inp (generated)

000825506.b3lyp_6-31g(d).gjf (generated)

000825506.b3lyp_6-31g(d).firefly.inp (generated)

000825506.b3lyp_6-31g(d).smash.inp (generated)

000825506.b3lyp_6-31g(d).nwchem.inp (generated) 000825506.b3lyp_6-31g(d).log.xz 000825506.td-b3lyp_6-31g+(d).inp 000825506.td-b3lyp_6-31g+(d).log.xz

000825506.td-b3lyp_6-31+g(d).qchem.inp (generated)

000825506.td-b3lyp_6-31+g(d).gjf (generated)

000825506.td-b3lyp_6-31+g(d).firefly.inp (generated)

000825506.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000825506.mol 000825506.PUBCHEM 000825506.mol (via Jmol)
000825510.b3lyp_6-31g(d).inp

000825510.b3lyp_6-31g(d).qchem.inp (generated)

000825510.b3lyp_6-31g(d).gjf (generated)

000825510.b3lyp_6-31g(d).firefly.inp (generated)

000825510.b3lyp_6-31g(d).smash.inp (generated)

000825510.b3lyp_6-31g(d).nwchem.inp (generated) 000825510.b3lyp_6-31g(d).log.xz 000825510.td-b3lyp_6-31g+(d).inp 000825510.td-b3lyp_6-31g+(d).log.xz

000825510.td-b3lyp_6-31+g(d).qchem.inp (generated)

000825510.td-b3lyp_6-31+g(d).gjf (generated)

000825510.td-b3lyp_6-31+g(d).firefly.inp (generated)

000825510.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000825510.mol 000825510.PUBCHEM 000825510.mol (via Jmol)
000825546.b3lyp_6-31g(d).inp

000825546.b3lyp_6-31g(d).qchem.inp (generated)

000825546.b3lyp_6-31g(d).gjf (generated)

000825546.b3lyp_6-31g(d).firefly.inp (generated)

000825546.b3lyp_6-31g(d).smash.inp (generated)

000825546.b3lyp_6-31g(d).nwchem.inp (generated) 000825546.b3lyp_6-31g(d).log.xz 000825546.td-b3lyp_6-31g+(d).inp 000825546.td-b3lyp_6-31g+(d).log.xz

000825546.td-b3lyp_6-31+g(d).qchem.inp (generated)

000825546.td-b3lyp_6-31+g(d).gjf (generated)

000825546.td-b3lyp_6-31+g(d).firefly.inp (generated)

000825546.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000825546.mol 000825546.PUBCHEM 000825546.mol (via Jmol)
000825547.b3lyp_6-31g(d).inp

000825547.b3lyp_6-31g(d).qchem.inp (generated)

000825547.b3lyp_6-31g(d).gjf (generated)

000825547.b3lyp_6-31g(d).firefly.inp (generated)

000825547.b3lyp_6-31g(d).smash.inp (generated)

000825547.b3lyp_6-31g(d).nwchem.inp (generated) 000825547.b3lyp_6-31g(d).log.xz 000825547.mol 000825547.PUBCHEM 000825547.mol (via Jmol)
000825627.b3lyp_6-31g(d).inp

000825627.b3lyp_6-31g(d).qchem.inp (generated)

000825627.b3lyp_6-31g(d).gjf (generated)

000825627.b3lyp_6-31g(d).firefly.inp (generated)

000825627.b3lyp_6-31g(d).smash.inp (generated)

000825627.b3lyp_6-31g(d).nwchem.inp (generated) 000825627.b3lyp_6-31g(d).log.xz 000825627.td-b3lyp_6-31g+(d).inp 000825627.td-b3lyp_6-31g+(d).log.xz

000825627.td-b3lyp_6-31+g(d).qchem.inp (generated)

000825627.td-b3lyp_6-31+g(d).gjf (generated)

000825627.td-b3lyp_6-31+g(d).firefly.inp (generated)

000825627.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000825627.mol 000825627.PUBCHEM 000825627.mol (via Jmol)
000825628.b3lyp_6-31g(d).inp

000825628.b3lyp_6-31g(d).qchem.inp (generated)

000825628.b3lyp_6-31g(d).gjf (generated)

000825628.b3lyp_6-31g(d).firefly.inp (generated)

000825628.b3lyp_6-31g(d).smash.inp (generated)

000825628.b3lyp_6-31g(d).nwchem.inp (generated) 000825628.b3lyp_6-31g(d).log.xz 000825628.td-b3lyp_6-31g+(d).inp 000825628.td-b3lyp_6-31g+(d).log.xz

000825628.td-b3lyp_6-31+g(d).qchem.inp (generated)

000825628.td-b3lyp_6-31+g(d).gjf (generated)

000825628.td-b3lyp_6-31+g(d).firefly.inp (generated)

000825628.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000825628.mol 000825628.PUBCHEM 000825628.mol (via Jmol)
000825691.b3lyp_6-31g(d).inp

000825691.b3lyp_6-31g(d).qchem.inp (generated)

000825691.b3lyp_6-31g(d).gjf (generated)

000825691.b3lyp_6-31g(d).firefly.inp (generated)

000825691.b3lyp_6-31g(d).smash.inp (generated)

000825691.b3lyp_6-31g(d).nwchem.inp (generated) 000825691.b3lyp_6-31g(d).log.xz 000825691.td-b3lyp_6-31g+(d).inp 000825691.td-b3lyp_6-31g+(d).log.xz

000825691.td-b3lyp_6-31+g(d).qchem.inp (generated)

000825691.td-b3lyp_6-31+g(d).gjf (generated)

000825691.td-b3lyp_6-31+g(d).firefly.inp (generated)

000825691.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000825691.mol 000825691.PUBCHEM 000825691.mol (via Jmol)
000825692.b3lyp_6-31g(d).inp

000825692.b3lyp_6-31g(d).qchem.inp (generated)

000825692.b3lyp_6-31g(d).gjf (generated)

000825692.b3lyp_6-31g(d).firefly.inp (generated)

000825692.b3lyp_6-31g(d).smash.inp (generated)

000825692.b3lyp_6-31g(d).nwchem.inp (generated) 000825692.b3lyp_6-31g(d).log.xz 000825692.td-b3lyp_6-31g+(d).inp 000825692.td-b3lyp_6-31g+(d).log.xz

000825692.td-b3lyp_6-31+g(d).qchem.inp (generated)

000825692.td-b3lyp_6-31+g(d).gjf (generated)

000825692.td-b3lyp_6-31+g(d).firefly.inp (generated)

000825692.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000825692.mol 000825692.PUBCHEM 000825692.mol (via Jmol)
000825700.b3lyp_6-31g(d).inp

000825700.b3lyp_6-31g(d).qchem.inp (generated)

000825700.b3lyp_6-31g(d).gjf (generated)

000825700.b3lyp_6-31g(d).firefly.inp (generated)

000825700.b3lyp_6-31g(d).smash.inp (generated)

000825700.b3lyp_6-31g(d).nwchem.inp (generated) 000825700.b3lyp_6-31g(d).log.xz 000825700.td-b3lyp_6-31g+(d).inp 000825700.td-b3lyp_6-31g+(d).log.xz

000825700.td-b3lyp_6-31+g(d).qchem.inp (generated)

000825700.td-b3lyp_6-31+g(d).gjf (generated)

000825700.td-b3lyp_6-31+g(d).firefly.inp (generated)

000825700.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000825700.mol 000825700.PUBCHEM 000825700.mol (via Jmol)
000825728.b3lyp_6-31g(d).inp

000825728.b3lyp_6-31g(d).qchem.inp (generated)

000825728.b3lyp_6-31g(d).gjf (generated)

000825728.b3lyp_6-31g(d).firefly.inp (generated)

000825728.b3lyp_6-31g(d).smash.inp (generated)

000825728.b3lyp_6-31g(d).nwchem.inp (generated) 000825728.b3lyp_6-31g(d).log.xz 000825728.td-b3lyp_6-31g+(d).inp 000825728.td-b3lyp_6-31g+(d).log.xz

000825728.td-b3lyp_6-31+g(d).qchem.inp (generated)

000825728.td-b3lyp_6-31+g(d).gjf (generated)

000825728.td-b3lyp_6-31+g(d).firefly.inp (generated)

000825728.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000825728.mol 000825728.PUBCHEM 000825728.mol (via Jmol)
000825729.b3lyp_6-31g(d).inp

000825729.b3lyp_6-31g(d).qchem.inp (generated)

000825729.b3lyp_6-31g(d).gjf (generated)

000825729.b3lyp_6-31g(d).firefly.inp (generated)

000825729.b3lyp_6-31g(d).smash.inp (generated)

000825729.b3lyp_6-31g(d).nwchem.inp (generated) 000825729.b3lyp_6-31g(d).log.xz 000825729.td-b3lyp_6-31g+(d).inp 000825729.td-b3lyp_6-31g+(d).log.xz

000825729.td-b3lyp_6-31+g(d).qchem.inp (generated)

000825729.td-b3lyp_6-31+g(d).gjf (generated)

000825729.td-b3lyp_6-31+g(d).firefly.inp (generated)

000825729.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000825729.mol 000825729.PUBCHEM 000825729.mol (via Jmol)
000825733.b3lyp_6-31g(d).inp

000825733.b3lyp_6-31g(d).qchem.inp (generated)

000825733.b3lyp_6-31g(d).gjf (generated)

000825733.b3lyp_6-31g(d).firefly.inp (generated)

000825733.b3lyp_6-31g(d).smash.inp (generated)

000825733.b3lyp_6-31g(d).nwchem.inp (generated) 000825733.b3lyp_6-31g(d).log.xz 000825733.td-b3lyp_6-31g+(d).inp 000825733.td-b3lyp_6-31g+(d).log.xz

000825733.td-b3lyp_6-31+g(d).qchem.inp (generated)

000825733.td-b3lyp_6-31+g(d).gjf (generated)

000825733.td-b3lyp_6-31+g(d).firefly.inp (generated)

000825733.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000825733.mol 000825733.PUBCHEM 000825733.mol (via Jmol)
000825734.b3lyp_6-31g(d).inp

000825734.b3lyp_6-31g(d).qchem.inp (generated)

000825734.b3lyp_6-31g(d).gjf (generated)

000825734.b3lyp_6-31g(d).firefly.inp (generated)

000825734.b3lyp_6-31g(d).smash.inp (generated)

000825734.b3lyp_6-31g(d).nwchem.inp (generated) 000825734.b3lyp_6-31g(d).log.xz 000825734.td-b3lyp_6-31g+(d).inp 000825734.td-b3lyp_6-31g+(d).log.xz

000825734.td-b3lyp_6-31+g(d).qchem.inp (generated)

000825734.td-b3lyp_6-31+g(d).gjf (generated)

000825734.td-b3lyp_6-31+g(d).firefly.inp (generated)

000825734.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000825734.mol 000825734.PUBCHEM 000825734.mol (via Jmol)
000825735.b3lyp_6-31g(d).inp

000825735.b3lyp_6-31g(d).qchem.inp (generated)

000825735.b3lyp_6-31g(d).gjf (generated)

000825735.b3lyp_6-31g(d).firefly.inp (generated)

000825735.b3lyp_6-31g(d).smash.inp (generated)

000825735.b3lyp_6-31g(d).nwchem.inp (generated) 000825735.b3lyp_6-31g(d).log.xz 000825735.td-b3lyp_6-31g+(d).inp 000825735.td-b3lyp_6-31g+(d).log.xz

000825735.td-b3lyp_6-31+g(d).qchem.inp (generated)

000825735.td-b3lyp_6-31+g(d).gjf (generated)

000825735.td-b3lyp_6-31+g(d).firefly.inp (generated)

000825735.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000825735.mol 000825735.PUBCHEM 000825735.mol (via Jmol)
000825738.b3lyp_6-31g(d).inp

000825738.b3lyp_6-31g(d).qchem.inp (generated)

000825738.b3lyp_6-31g(d).gjf (generated)

000825738.b3lyp_6-31g(d).firefly.inp (generated)

000825738.b3lyp_6-31g(d).smash.inp (generated)

000825738.b3lyp_6-31g(d).nwchem.inp (generated) 000825738.b3lyp_6-31g(d).log.xz 000825738.td-b3lyp_6-31g+(d).inp 000825738.td-b3lyp_6-31g+(d).log.xz

000825738.td-b3lyp_6-31+g(d).qchem.inp (generated)

000825738.td-b3lyp_6-31+g(d).gjf (generated)

000825738.td-b3lyp_6-31+g(d).firefly.inp (generated)

000825738.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000825738.mol 000825738.PUBCHEM 000825738.mol (via Jmol)
000825752.b3lyp_6-31g(d).inp

000825752.b3lyp_6-31g(d).qchem.inp (generated)

000825752.b3lyp_6-31g(d).gjf (generated)

000825752.b3lyp_6-31g(d).firefly.inp (generated)

000825752.b3lyp_6-31g(d).smash.inp (generated)

000825752.b3lyp_6-31g(d).nwchem.inp (generated) 000825752.b3lyp_6-31g(d).log.xz 000825752.td-b3lyp_6-31g+(d).inp 000825752.td-b3lyp_6-31g+(d).log.xz

000825752.td-b3lyp_6-31+g(d).qchem.inp (generated)

000825752.td-b3lyp_6-31+g(d).gjf (generated)

000825752.td-b3lyp_6-31+g(d).firefly.inp (generated)

000825752.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000825752.mol 000825752.PUBCHEM 000825752.mol (via Jmol)
000825755.b3lyp_6-31g(d).inp

000825755.b3lyp_6-31g(d).qchem.inp (generated)

000825755.b3lyp_6-31g(d).gjf (generated)

000825755.b3lyp_6-31g(d).firefly.inp (generated)

000825755.b3lyp_6-31g(d).smash.inp (generated)

000825755.b3lyp_6-31g(d).nwchem.inp (generated) 000825755.b3lyp_6-31g(d).log.xz 000825755.td-b3lyp_6-31g+(d).inp 000825755.td-b3lyp_6-31g+(d).log.xz

000825755.td-b3lyp_6-31+g(d).qchem.inp (generated)

000825755.td-b3lyp_6-31+g(d).gjf (generated)

000825755.td-b3lyp_6-31+g(d).firefly.inp (generated)

000825755.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000825755.mol 000825755.PUBCHEM 000825755.mol (via Jmol)
000825756.b3lyp_6-31g(d).inp

000825756.b3lyp_6-31g(d).qchem.inp (generated)

000825756.b3lyp_6-31g(d).gjf (generated)

000825756.b3lyp_6-31g(d).firefly.inp (generated)

000825756.b3lyp_6-31g(d).smash.inp (generated)

000825756.b3lyp_6-31g(d).nwchem.inp (generated) 000825756.b3lyp_6-31g(d).log.xz 000825756.td-b3lyp_6-31g+(d).inp 000825756.td-b3lyp_6-31g+(d).log.xz

000825756.td-b3lyp_6-31+g(d).qchem.inp (generated)

000825756.td-b3lyp_6-31+g(d).gjf (generated)

000825756.td-b3lyp_6-31+g(d).firefly.inp (generated)

000825756.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000825756.mol 000825756.PUBCHEM 000825756.mol (via Jmol)
000825760.b3lyp_6-31g(d).inp

000825760.b3lyp_6-31g(d).qchem.inp (generated)

000825760.b3lyp_6-31g(d).gjf (generated)

000825760.b3lyp_6-31g(d).firefly.inp (generated)

000825760.b3lyp_6-31g(d).smash.inp (generated)

000825760.b3lyp_6-31g(d).nwchem.inp (generated) 000825760.b3lyp_6-31g(d).log.xz 000825760.td-b3lyp_6-31g+(d).inp 000825760.td-b3lyp_6-31g+(d).log.xz

000825760.td-b3lyp_6-31+g(d).qchem.inp (generated)

000825760.td-b3lyp_6-31+g(d).gjf (generated)

000825760.td-b3lyp_6-31+g(d).firefly.inp (generated)

000825760.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000825760.mol 000825760.PUBCHEM 000825760.mol (via Jmol)
000825762.b3lyp_6-31g(d).inp

000825762.b3lyp_6-31g(d).qchem.inp (generated)

000825762.b3lyp_6-31g(d).gjf (generated)

000825762.b3lyp_6-31g(d).firefly.inp (generated)

000825762.b3lyp_6-31g(d).smash.inp (generated)

000825762.b3lyp_6-31g(d).nwchem.inp (generated) 000825762.b3lyp_6-31g(d).log.xz 000825762.td-b3lyp_6-31g+(d).inp 000825762.td-b3lyp_6-31g+(d).log.xz

000825762.td-b3lyp_6-31+g(d).qchem.inp (generated)

000825762.td-b3lyp_6-31+g(d).gjf (generated)

000825762.td-b3lyp_6-31+g(d).firefly.inp (generated)

000825762.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000825762.mol 000825762.PUBCHEM 000825762.mol (via Jmol)
000825767.b3lyp_6-31g(d).inp

000825767.b3lyp_6-31g(d).qchem.inp (generated)

000825767.b3lyp_6-31g(d).gjf (generated)

000825767.b3lyp_6-31g(d).firefly.inp (generated)

000825767.b3lyp_6-31g(d).smash.inp (generated)

000825767.b3lyp_6-31g(d).nwchem.inp (generated) 000825767.b3lyp_6-31g(d).log.xz 000825767.td-b3lyp_6-31g+(d).inp 000825767.td-b3lyp_6-31g+(d).log.xz

000825767.td-b3lyp_6-31+g(d).qchem.inp (generated)

000825767.td-b3lyp_6-31+g(d).gjf (generated)

000825767.td-b3lyp_6-31+g(d).firefly.inp (generated)

000825767.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000825767.mol 000825767.PUBCHEM 000825767.mol (via Jmol)
000825770.b3lyp_6-31g(d).inp

000825770.b3lyp_6-31g(d).qchem.inp (generated)

000825770.b3lyp_6-31g(d).gjf (generated)

000825770.b3lyp_6-31g(d).firefly.inp (generated)

000825770.b3lyp_6-31g(d).smash.inp (generated)

000825770.b3lyp_6-31g(d).nwchem.inp (generated) 000825770.b3lyp_6-31g(d).log.xz 000825770.td-b3lyp_6-31g+(d).inp 000825770.td-b3lyp_6-31g+(d).log.xz

000825770.td-b3lyp_6-31+g(d).qchem.inp (generated)

000825770.td-b3lyp_6-31+g(d).gjf (generated)

000825770.td-b3lyp_6-31+g(d).firefly.inp (generated)

000825770.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000825770.mol 000825770.PUBCHEM 000825770.mol (via Jmol)
000825771.b3lyp_6-31g(d).inp

000825771.b3lyp_6-31g(d).qchem.inp (generated)

000825771.b3lyp_6-31g(d).gjf (generated)

000825771.b3lyp_6-31g(d).firefly.inp (generated)

000825771.b3lyp_6-31g(d).smash.inp (generated)

000825771.b3lyp_6-31g(d).nwchem.inp (generated) 000825771.b3lyp_6-31g(d).log.xz 000825771.td-b3lyp_6-31g+(d).inp 000825771.td-b3lyp_6-31g+(d).log.xz

000825771.td-b3lyp_6-31+g(d).qchem.inp (generated)

000825771.td-b3lyp_6-31+g(d).gjf (generated)

000825771.td-b3lyp_6-31+g(d).firefly.inp (generated)

000825771.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000825771.mol 000825771.PUBCHEM 000825771.mol (via Jmol)
000825772.b3lyp_6-31g(d).inp

000825772.b3lyp_6-31g(d).qchem.inp (generated)

000825772.b3lyp_6-31g(d).gjf (generated)

000825772.b3lyp_6-31g(d).firefly.inp (generated)

000825772.b3lyp_6-31g(d).smash.inp (generated)

000825772.b3lyp_6-31g(d).nwchem.inp (generated) 000825772.b3lyp_6-31g(d).log.xz 000825772.td-b3lyp_6-31g+(d).inp 000825772.td-b3lyp_6-31g+(d).log.xz

000825772.td-b3lyp_6-31+g(d).qchem.inp (generated)

000825772.td-b3lyp_6-31+g(d).gjf (generated)

000825772.td-b3lyp_6-31+g(d).firefly.inp (generated)

000825772.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000825772.mol 000825772.PUBCHEM 000825772.mol (via Jmol)
000825780.b3lyp_6-31g(d).inp

000825780.b3lyp_6-31g(d).qchem.inp (generated)

000825780.b3lyp_6-31g(d).gjf (generated)

000825780.b3lyp_6-31g(d).firefly.inp (generated)

000825780.b3lyp_6-31g(d).smash.inp (generated)

000825780.b3lyp_6-31g(d).nwchem.inp (generated) 000825780.b3lyp_6-31g(d).log.xz 000825780.td-b3lyp_6-31g+(d).inp 000825780.td-b3lyp_6-31g+(d).log.xz

000825780.td-b3lyp_6-31+g(d).qchem.inp (generated)

000825780.td-b3lyp_6-31+g(d).gjf (generated)

000825780.td-b3lyp_6-31+g(d).firefly.inp (generated)

000825780.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000825780.mol 000825780.PUBCHEM 000825780.mol (via Jmol)
000825781.b3lyp_6-31g(d).inp

000825781.b3lyp_6-31g(d).qchem.inp (generated)

000825781.b3lyp_6-31g(d).gjf (generated)

000825781.b3lyp_6-31g(d).firefly.inp (generated)

000825781.b3lyp_6-31g(d).smash.inp (generated)

000825781.b3lyp_6-31g(d).nwchem.inp (generated) 000825781.b3lyp_6-31g(d).log.xz 000825781.mol 000825781.PUBCHEM 000825781.mol (via Jmol)
000825792.b3lyp_6-31g(d).inp

000825792.b3lyp_6-31g(d).qchem.inp (generated)

000825792.b3lyp_6-31g(d).gjf (generated)

000825792.b3lyp_6-31g(d).firefly.inp (generated)

000825792.b3lyp_6-31g(d).smash.inp (generated)

000825792.b3lyp_6-31g(d).nwchem.inp (generated) 000825792.b3lyp_6-31g(d).log.xz 000825792.td-b3lyp_6-31g+(d).inp 000825792.td-b3lyp_6-31g+(d).log.xz

000825792.td-b3lyp_6-31+g(d).qchem.inp (generated)

000825792.td-b3lyp_6-31+g(d).gjf (generated)

000825792.td-b3lyp_6-31+g(d).firefly.inp (generated)

000825792.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000825792.mol 000825792.PUBCHEM 000825792.mol (via Jmol)
000825793.b3lyp_6-31g(d).inp

000825793.b3lyp_6-31g(d).qchem.inp (generated)

000825793.b3lyp_6-31g(d).gjf (generated)

000825793.b3lyp_6-31g(d).firefly.inp (generated)

000825793.b3lyp_6-31g(d).smash.inp (generated)

000825793.b3lyp_6-31g(d).nwchem.inp (generated) 000825793.b3lyp_6-31g(d).log.xz 000825793.td-b3lyp_6-31g+(d).inp 000825793.td-b3lyp_6-31g+(d).log.xz

000825793.td-b3lyp_6-31+g(d).qchem.inp (generated)

000825793.td-b3lyp_6-31+g(d).gjf (generated)

000825793.td-b3lyp_6-31+g(d).firefly.inp (generated)

000825793.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000825793.mol 000825793.PUBCHEM 000825793.mol (via Jmol)
000825795.b3lyp_6-31g(d).inp

000825795.b3lyp_6-31g(d).qchem.inp (generated)

000825795.b3lyp_6-31g(d).gjf (generated)

000825795.b3lyp_6-31g(d).firefly.inp (generated)

000825795.b3lyp_6-31g(d).smash.inp (generated)

000825795.b3lyp_6-31g(d).nwchem.inp (generated) 000825795.b3lyp_6-31g(d).log.xz 000825795.td-b3lyp_6-31g+(d).inp 000825795.td-b3lyp_6-31g+(d).log.xz

000825795.td-b3lyp_6-31+g(d).qchem.inp (generated)

000825795.td-b3lyp_6-31+g(d).gjf (generated)

000825795.td-b3lyp_6-31+g(d).firefly.inp (generated)

000825795.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000825795.mol 000825795.PUBCHEM 000825795.mol (via Jmol)
000825796.b3lyp_6-31g(d).inp

000825796.b3lyp_6-31g(d).qchem.inp (generated)

000825796.b3lyp_6-31g(d).gjf (generated)

000825796.b3lyp_6-31g(d).firefly.inp (generated)

000825796.b3lyp_6-31g(d).smash.inp (generated)

000825796.b3lyp_6-31g(d).nwchem.inp (generated) 000825796.b3lyp_6-31g(d).log.xz 000825796.td-b3lyp_6-31g+(d).inp 000825796.td-b3lyp_6-31g+(d).log.xz

000825796.td-b3lyp_6-31+g(d).qchem.inp (generated)

000825796.td-b3lyp_6-31+g(d).gjf (generated)

000825796.td-b3lyp_6-31+g(d).firefly.inp (generated)

000825796.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000825796.mol 000825796.PUBCHEM 000825796.mol (via Jmol)
000825797.b3lyp_6-31g(d).inp

000825797.b3lyp_6-31g(d).qchem.inp (generated)

000825797.b3lyp_6-31g(d).gjf (generated)

000825797.b3lyp_6-31g(d).firefly.inp (generated)

000825797.b3lyp_6-31g(d).smash.inp (generated)

000825797.b3lyp_6-31g(d).nwchem.inp (generated) 000825797.b3lyp_6-31g(d).log.xz 000825797.td-b3lyp_6-31g+(d).inp 000825797.td-b3lyp_6-31g+(d).log.xz

000825797.td-b3lyp_6-31+g(d).qchem.inp (generated)

000825797.td-b3lyp_6-31+g(d).gjf (generated)

000825797.td-b3lyp_6-31+g(d).firefly.inp (generated)

000825797.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000825797.mol 000825797.PUBCHEM 000825797.mol (via Jmol)
000825800.b3lyp_6-31g(d).inp

000825800.b3lyp_6-31g(d).qchem.inp (generated)

000825800.b3lyp_6-31g(d).gjf (generated)

000825800.b3lyp_6-31g(d).firefly.inp (generated)

000825800.b3lyp_6-31g(d).smash.inp (generated)

000825800.b3lyp_6-31g(d).nwchem.inp (generated) 000825800.b3lyp_6-31g(d).log.xz 000825800.td-b3lyp_6-31g+(d).inp 000825800.td-b3lyp_6-31g+(d).log.xz

000825800.td-b3lyp_6-31+g(d).qchem.inp (generated)

000825800.td-b3lyp_6-31+g(d).gjf (generated)

000825800.td-b3lyp_6-31+g(d).firefly.inp (generated)

000825800.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000825800.mol 000825800.PUBCHEM 000825800.mol (via Jmol)
000825814.b3lyp_6-31g(d).inp

000825814.b3lyp_6-31g(d).qchem.inp (generated)

000825814.b3lyp_6-31g(d).gjf (generated)

000825814.b3lyp_6-31g(d).firefly.inp (generated)

000825814.b3lyp_6-31g(d).smash.inp (generated)

000825814.b3lyp_6-31g(d).nwchem.inp (generated) 000825814.b3lyp_6-31g(d).log.xz 000825814.td-b3lyp_6-31g+(d).inp 000825814.td-b3lyp_6-31g+(d).log.xz

000825814.td-b3lyp_6-31+g(d).qchem.inp (generated)

000825814.td-b3lyp_6-31+g(d).gjf (generated)

000825814.td-b3lyp_6-31+g(d).firefly.inp (generated)

000825814.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000825814.mol 000825814.PUBCHEM 000825814.mol (via Jmol)
000825816.b3lyp_6-31g(d).inp

000825816.b3lyp_6-31g(d).qchem.inp (generated)

000825816.b3lyp_6-31g(d).gjf (generated)

000825816.b3lyp_6-31g(d).firefly.inp (generated)

000825816.b3lyp_6-31g(d).smash.inp (generated)

000825816.b3lyp_6-31g(d).nwchem.inp (generated) 000825816.b3lyp_6-31g(d).log.xz 000825816.td-b3lyp_6-31g+(d).inp 000825816.td-b3lyp_6-31g+(d).log.xz

000825816.td-b3lyp_6-31+g(d).qchem.inp (generated)

000825816.td-b3lyp_6-31+g(d).gjf (generated)

000825816.td-b3lyp_6-31+g(d).firefly.inp (generated)

000825816.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000825816.mol 000825816.PUBCHEM 000825816.mol (via Jmol)
000825830.b3lyp_6-31g(d).inp

000825830.b3lyp_6-31g(d).qchem.inp (generated)

000825830.b3lyp_6-31g(d).gjf (generated)

000825830.b3lyp_6-31g(d).firefly.inp (generated)

000825830.b3lyp_6-31g(d).smash.inp (generated)

000825830.b3lyp_6-31g(d).nwchem.inp (generated) 000825830.b3lyp_6-31g(d).log.xz 000825830.td-b3lyp_6-31g+(d).inp 000825830.td-b3lyp_6-31g+(d).log.xz

000825830.td-b3lyp_6-31+g(d).qchem.inp (generated)

000825830.td-b3lyp_6-31+g(d).gjf (generated)

000825830.td-b3lyp_6-31+g(d).firefly.inp (generated)

000825830.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000825830.mol 000825830.PUBCHEM 000825830.mol (via Jmol)
000825831.b3lyp_6-31g(d).inp

000825831.b3lyp_6-31g(d).qchem.inp (generated)

000825831.b3lyp_6-31g(d).gjf (generated)

000825831.b3lyp_6-31g(d).firefly.inp (generated)

000825831.b3lyp_6-31g(d).smash.inp (generated)

000825831.b3lyp_6-31g(d).nwchem.inp (generated) 000825831.b3lyp_6-31g(d).log.xz 000825831.td-b3lyp_6-31g+(d).inp 000825831.td-b3lyp_6-31g+(d).log.xz

000825831.td-b3lyp_6-31+g(d).qchem.inp (generated)

000825831.td-b3lyp_6-31+g(d).gjf (generated)

000825831.td-b3lyp_6-31+g(d).firefly.inp (generated)

000825831.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000825831.mol 000825831.PUBCHEM 000825831.mol (via Jmol)
000825837.b3lyp_6-31g(d).inp

000825837.b3lyp_6-31g(d).qchem.inp (generated)

000825837.b3lyp_6-31g(d).gjf (generated)

000825837.b3lyp_6-31g(d).firefly.inp (generated)

000825837.b3lyp_6-31g(d).smash.inp (generated)

000825837.b3lyp_6-31g(d).nwchem.inp (generated) 000825837.b3lyp_6-31g(d).log.xz 000825837.td-b3lyp_6-31g+(d).inp 000825837.td-b3lyp_6-31g+(d).log.xz

000825837.td-b3lyp_6-31+g(d).qchem.inp (generated)

000825837.td-b3lyp_6-31+g(d).gjf (generated)

000825837.td-b3lyp_6-31+g(d).firefly.inp (generated)

000825837.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000825837.mol 000825837.PUBCHEM 000825837.mol (via Jmol)
000825838.b3lyp_6-31g(d).inp

000825838.b3lyp_6-31g(d).qchem.inp (generated)

000825838.b3lyp_6-31g(d).gjf (generated)

000825838.b3lyp_6-31g(d).firefly.inp (generated)

000825838.b3lyp_6-31g(d).smash.inp (generated)

000825838.b3lyp_6-31g(d).nwchem.inp (generated) 000825838.b3lyp_6-31g(d).log.xz 000825838.td-b3lyp_6-31g+(d).inp 000825838.td-b3lyp_6-31g+(d).log.xz

000825838.td-b3lyp_6-31+g(d).qchem.inp (generated)

000825838.td-b3lyp_6-31+g(d).gjf (generated)

000825838.td-b3lyp_6-31+g(d).firefly.inp (generated)

000825838.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000825838.mol 000825838.PUBCHEM 000825838.mol (via Jmol)
000825846.b3lyp_6-31g(d).inp

000825846.b3lyp_6-31g(d).qchem.inp (generated)

000825846.b3lyp_6-31g(d).gjf (generated)

000825846.b3lyp_6-31g(d).firefly.inp (generated)

000825846.b3lyp_6-31g(d).smash.inp (generated)

000825846.b3lyp_6-31g(d).nwchem.inp (generated) 000825846.b3lyp_6-31g(d).log.xz 000825846.td-b3lyp_6-31g+(d).inp 000825846.td-b3lyp_6-31g+(d).log.xz

000825846.td-b3lyp_6-31+g(d).qchem.inp (generated)

000825846.td-b3lyp_6-31+g(d).gjf (generated)

000825846.td-b3lyp_6-31+g(d).firefly.inp (generated)

000825846.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000825846.mol 000825846.PUBCHEM 000825846.mol (via Jmol)
000825853.b3lyp_6-31g(d).inp

000825853.b3lyp_6-31g(d).qchem.inp (generated)

000825853.b3lyp_6-31g(d).gjf (generated)

000825853.b3lyp_6-31g(d).firefly.inp (generated)

000825853.b3lyp_6-31g(d).smash.inp (generated)

000825853.b3lyp_6-31g(d).nwchem.inp (generated) 000825853.b3lyp_6-31g(d).log.xz 000825853.td-b3lyp_6-31g+(d).inp 000825853.td-b3lyp_6-31g+(d).log.xz

000825853.td-b3lyp_6-31+g(d).qchem.inp (generated)

000825853.td-b3lyp_6-31+g(d).gjf (generated)

000825853.td-b3lyp_6-31+g(d).firefly.inp (generated)

000825853.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000825853.mol 000825853.PUBCHEM 000825853.mol (via Jmol)
000825854.b3lyp_6-31g(d).inp

000825854.b3lyp_6-31g(d).qchem.inp (generated)

000825854.b3lyp_6-31g(d).gjf (generated)

000825854.b3lyp_6-31g(d).firefly.inp (generated)

000825854.b3lyp_6-31g(d).smash.inp (generated)

000825854.b3lyp_6-31g(d).nwchem.inp (generated) 000825854.b3lyp_6-31g(d).log.xz 000825854.td-b3lyp_6-31g+(d).inp 000825854.td-b3lyp_6-31g+(d).log.xz

000825854.td-b3lyp_6-31+g(d).qchem.inp (generated)

000825854.td-b3lyp_6-31+g(d).gjf (generated)

000825854.td-b3lyp_6-31+g(d).firefly.inp (generated)

000825854.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000825854.mol 000825854.PUBCHEM 000825854.mol (via Jmol)
000825865.b3lyp_6-31g(d).inp

000825865.b3lyp_6-31g(d).qchem.inp (generated)

000825865.b3lyp_6-31g(d).gjf (generated)

000825865.b3lyp_6-31g(d).firefly.inp (generated)

000825865.b3lyp_6-31g(d).smash.inp (generated)

000825865.b3lyp_6-31g(d).nwchem.inp (generated) 000825865.b3lyp_6-31g(d).log.xz 000825865.td-b3lyp_6-31g+(d).inp 000825865.td-b3lyp_6-31g+(d).log.xz

000825865.td-b3lyp_6-31+g(d).qchem.inp (generated)

000825865.td-b3lyp_6-31+g(d).gjf (generated)

000825865.td-b3lyp_6-31+g(d).firefly.inp (generated)

000825865.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000825865.mol 000825865.PUBCHEM 000825865.mol (via Jmol)
000825867.b3lyp_6-31g(d).inp

000825867.b3lyp_6-31g(d).qchem.inp (generated)

000825867.b3lyp_6-31g(d).gjf (generated)

000825867.b3lyp_6-31g(d).firefly.inp (generated)

000825867.b3lyp_6-31g(d).smash.inp (generated)

000825867.b3lyp_6-31g(d).nwchem.inp (generated) 000825867.b3lyp_6-31g(d).log.xz 000825867.td-b3lyp_6-31g+(d).inp 000825867.td-b3lyp_6-31g+(d).log.xz

000825867.td-b3lyp_6-31+g(d).qchem.inp (generated)

000825867.td-b3lyp_6-31+g(d).gjf (generated)

000825867.td-b3lyp_6-31+g(d).firefly.inp (generated)

000825867.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000825867.mol 000825867.PUBCHEM 000825867.mol (via Jmol)
000825873.b3lyp_6-31g(d).inp

000825873.b3lyp_6-31g(d).qchem.inp (generated)

000825873.b3lyp_6-31g(d).gjf (generated)

000825873.b3lyp_6-31g(d).firefly.inp (generated)

000825873.b3lyp_6-31g(d).smash.inp (generated)

000825873.b3lyp_6-31g(d).nwchem.inp (generated) 000825873.b3lyp_6-31g(d).log.xz 000825873.td-b3lyp_6-31g+(d).inp 000825873.td-b3lyp_6-31g+(d).log.xz

000825873.td-b3lyp_6-31+g(d).qchem.inp (generated)

000825873.td-b3lyp_6-31+g(d).gjf (generated)

000825873.td-b3lyp_6-31+g(d).firefly.inp (generated)

000825873.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000825873.mol 000825873.PUBCHEM 000825873.mol (via Jmol)
000825874.b3lyp_6-31g(d).inp

000825874.b3lyp_6-31g(d).qchem.inp (generated)

000825874.b3lyp_6-31g(d).gjf (generated)

000825874.b3lyp_6-31g(d).firefly.inp (generated)

000825874.b3lyp_6-31g(d).smash.inp (generated)

000825874.b3lyp_6-31g(d).nwchem.inp (generated) 000825874.b3lyp_6-31g(d).log.xz 000825874.td-b3lyp_6-31g+(d).inp 000825874.td-b3lyp_6-31g+(d).log.xz

000825874.td-b3lyp_6-31+g(d).qchem.inp (generated)

000825874.td-b3lyp_6-31+g(d).gjf (generated)

000825874.td-b3lyp_6-31+g(d).firefly.inp (generated)

000825874.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000825874.mol 000825874.PUBCHEM 000825874.mol (via Jmol)
000825878.b3lyp_6-31g(d).inp

000825878.b3lyp_6-31g(d).qchem.inp (generated)

000825878.b3lyp_6-31g(d).gjf (generated)

000825878.b3lyp_6-31g(d).firefly.inp (generated)

000825878.b3lyp_6-31g(d).smash.inp (generated)

000825878.b3lyp_6-31g(d).nwchem.inp (generated) 000825878.b3lyp_6-31g(d).log.xz 000825878.mol 000825878.PUBCHEM 000825878.mol (via Jmol)
000825879.b3lyp_6-31g(d).inp

000825879.b3lyp_6-31g(d).qchem.inp (generated)

000825879.b3lyp_6-31g(d).gjf (generated)

000825879.b3lyp_6-31g(d).firefly.inp (generated)

000825879.b3lyp_6-31g(d).smash.inp (generated)

000825879.b3lyp_6-31g(d).nwchem.inp (generated) 000825879.b3lyp_6-31g(d).log.xz 000825879.mol 000825879.PUBCHEM 000825879.mol (via Jmol)
000825881.b3lyp_6-31g(d).inp

000825881.b3lyp_6-31g(d).qchem.inp (generated)

000825881.b3lyp_6-31g(d).gjf (generated)

000825881.b3lyp_6-31g(d).firefly.inp (generated)

000825881.b3lyp_6-31g(d).smash.inp (generated)

000825881.b3lyp_6-31g(d).nwchem.inp (generated) 000825881.b3lyp_6-31g(d).log.xz 000825881.mol 000825881.PUBCHEM 000825881.mol (via Jmol)
000825883.b3lyp_6-31g(d).inp

000825883.b3lyp_6-31g(d).qchem.inp (generated)

000825883.b3lyp_6-31g(d).gjf (generated)

000825883.b3lyp_6-31g(d).firefly.inp (generated)

000825883.b3lyp_6-31g(d).smash.inp (generated)

000825883.b3lyp_6-31g(d).nwchem.inp (generated) 000825883.b3lyp_6-31g(d).log.xz 000825883.mol 000825883.PUBCHEM 000825883.mol (via Jmol)
000825885.b3lyp_6-31g(d).inp

000825885.b3lyp_6-31g(d).qchem.inp (generated)

000825885.b3lyp_6-31g(d).gjf (generated)

000825885.b3lyp_6-31g(d).firefly.inp (generated)

000825885.b3lyp_6-31g(d).smash.inp (generated)

000825885.b3lyp_6-31g(d).nwchem.inp (generated) 000825885.b3lyp_6-31g(d).log.xz 000825885.td-b3lyp_6-31g+(d).inp 000825885.td-b3lyp_6-31g+(d).log.xz

000825885.td-b3lyp_6-31+g(d).qchem.inp (generated)

000825885.td-b3lyp_6-31+g(d).gjf (generated)

000825885.td-b3lyp_6-31+g(d).firefly.inp (generated)

000825885.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000825885.mol 000825885.PUBCHEM 000825885.mol (via Jmol)
000825886.b3lyp_6-31g(d).inp

000825886.b3lyp_6-31g(d).qchem.inp (generated)

000825886.b3lyp_6-31g(d).gjf (generated)

000825886.b3lyp_6-31g(d).firefly.inp (generated)

000825886.b3lyp_6-31g(d).smash.inp (generated)

000825886.b3lyp_6-31g(d).nwchem.inp (generated) 000825886.b3lyp_6-31g(d).log.xz 000825886.td-b3lyp_6-31g+(d).inp 000825886.td-b3lyp_6-31g+(d).log.xz

000825886.td-b3lyp_6-31+g(d).qchem.inp (generated)

000825886.td-b3lyp_6-31+g(d).gjf (generated)

000825886.td-b3lyp_6-31+g(d).firefly.inp (generated)

000825886.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000825886.mol 000825886.PUBCHEM 000825886.mol (via Jmol)
000825887.b3lyp_6-31g(d).inp

000825887.b3lyp_6-31g(d).qchem.inp (generated)

000825887.b3lyp_6-31g(d).gjf (generated)

000825887.b3lyp_6-31g(d).firefly.inp (generated)

000825887.b3lyp_6-31g(d).smash.inp (generated)

000825887.b3lyp_6-31g(d).nwchem.inp (generated) 000825887.b3lyp_6-31g(d).log.xz 000825887.td-b3lyp_6-31g+(d).inp 000825887.td-b3lyp_6-31g+(d).log.xz

000825887.td-b3lyp_6-31+g(d).qchem.inp (generated)

000825887.td-b3lyp_6-31+g(d).gjf (generated)

000825887.td-b3lyp_6-31+g(d).firefly.inp (generated)

000825887.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000825887.mol 000825887.PUBCHEM 000825887.mol (via Jmol)
000825888.b3lyp_6-31g(d).inp

000825888.b3lyp_6-31g(d).qchem.inp (generated)

000825888.b3lyp_6-31g(d).gjf (generated)

000825888.b3lyp_6-31g(d).firefly.inp (generated)

000825888.b3lyp_6-31g(d).smash.inp (generated)

000825888.b3lyp_6-31g(d).nwchem.inp (generated) 000825888.b3lyp_6-31g(d).log.xz 000825888.td-b3lyp_6-31g+(d).inp 000825888.td-b3lyp_6-31g+(d).log.xz

000825888.td-b3lyp_6-31+g(d).qchem.inp (generated)

000825888.td-b3lyp_6-31+g(d).gjf (generated)

000825888.td-b3lyp_6-31+g(d).firefly.inp (generated)

000825888.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000825888.mol 000825888.PUBCHEM 000825888.mol (via Jmol)
000825889.b3lyp_6-31g(d).inp

000825889.b3lyp_6-31g(d).qchem.inp (generated)

000825889.b3lyp_6-31g(d).gjf (generated)

000825889.b3lyp_6-31g(d).firefly.inp (generated)

000825889.b3lyp_6-31g(d).smash.inp (generated)

000825889.b3lyp_6-31g(d).nwchem.inp (generated) 000825889.b3lyp_6-31g(d).log.xz 000825889.td-b3lyp_6-31g+(d).inp 000825889.td-b3lyp_6-31g+(d).log.xz

000825889.td-b3lyp_6-31+g(d).qchem.inp (generated)

000825889.td-b3lyp_6-31+g(d).gjf (generated)

000825889.td-b3lyp_6-31+g(d).firefly.inp (generated)

000825889.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000825889.mol 000825889.PUBCHEM 000825889.mol (via Jmol)
000825891.b3lyp_6-31g(d).inp

000825891.b3lyp_6-31g(d).qchem.inp (generated)

000825891.b3lyp_6-31g(d).gjf (generated)

000825891.b3lyp_6-31g(d).firefly.inp (generated)

000825891.b3lyp_6-31g(d).smash.inp (generated)

000825891.b3lyp_6-31g(d).nwchem.inp (generated) 000825891.b3lyp_6-31g(d).log.xz 000825891.td-b3lyp_6-31g+(d).inp 000825891.td-b3lyp_6-31g+(d).log.xz

000825891.td-b3lyp_6-31+g(d).qchem.inp (generated)

000825891.td-b3lyp_6-31+g(d).gjf (generated)

000825891.td-b3lyp_6-31+g(d).firefly.inp (generated)

000825891.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000825891.mol 000825891.PUBCHEM 000825891.mol (via Jmol)
000825892.b3lyp_6-31g(d).inp

000825892.b3lyp_6-31g(d).qchem.inp (generated)

000825892.b3lyp_6-31g(d).gjf (generated)

000825892.b3lyp_6-31g(d).firefly.inp (generated)

000825892.b3lyp_6-31g(d).smash.inp (generated)

000825892.b3lyp_6-31g(d).nwchem.inp (generated) 000825892.b3lyp_6-31g(d).log.xz 000825892.td-b3lyp_6-31g+(d).inp 000825892.td-b3lyp_6-31g+(d).log.xz

000825892.td-b3lyp_6-31+g(d).qchem.inp (generated)

000825892.td-b3lyp_6-31+g(d).gjf (generated)

000825892.td-b3lyp_6-31+g(d).firefly.inp (generated)

000825892.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000825892.mol 000825892.PUBCHEM 000825892.mol (via Jmol)
000825893.b3lyp_6-31g(d).inp

000825893.b3lyp_6-31g(d).qchem.inp (generated)

000825893.b3lyp_6-31g(d).gjf (generated)

000825893.b3lyp_6-31g(d).firefly.inp (generated)

000825893.b3lyp_6-31g(d).smash.inp (generated)

000825893.b3lyp_6-31g(d).nwchem.inp (generated) 000825893.b3lyp_6-31g(d).log.xz 000825893.mol 000825893.PUBCHEM 000825893.mol (via Jmol)
000825895.b3lyp_6-31g(d).inp

000825895.b3lyp_6-31g(d).qchem.inp (generated)

000825895.b3lyp_6-31g(d).gjf (generated)

000825895.b3lyp_6-31g(d).firefly.inp (generated)

000825895.b3lyp_6-31g(d).smash.inp (generated)

000825895.b3lyp_6-31g(d).nwchem.inp (generated) 000825895.b3lyp_6-31g(d).log.xz 000825895.mol 000825895.PUBCHEM 000825895.mol (via Jmol)
000825902.b3lyp_6-31g(d).inp

000825902.b3lyp_6-31g(d).qchem.inp (generated)

000825902.b3lyp_6-31g(d).gjf (generated)

000825902.b3lyp_6-31g(d).firefly.inp (generated)

000825902.b3lyp_6-31g(d).smash.inp (generated)

000825902.b3lyp_6-31g(d).nwchem.inp (generated) 000825902.b3lyp_6-31g(d).log.xz 000825902.td-b3lyp_6-31g+(d).inp 000825902.td-b3lyp_6-31g+(d).log.xz

000825902.td-b3lyp_6-31+g(d).qchem.inp (generated)

000825902.td-b3lyp_6-31+g(d).gjf (generated)

000825902.td-b3lyp_6-31+g(d).firefly.inp (generated)

000825902.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000825902.mol 000825902.PUBCHEM 000825902.mol (via Jmol)
000825905.b3lyp_6-31g(d).inp

000825905.b3lyp_6-31g(d).qchem.inp (generated)

000825905.b3lyp_6-31g(d).gjf (generated)

000825905.b3lyp_6-31g(d).firefly.inp (generated)

000825905.b3lyp_6-31g(d).smash.inp (generated)

000825905.b3lyp_6-31g(d).nwchem.inp (generated) 000825905.b3lyp_6-31g(d).log.xz 000825905.td-b3lyp_6-31g+(d).inp 000825905.td-b3lyp_6-31g+(d).log.xz

000825905.td-b3lyp_6-31+g(d).qchem.inp (generated)

000825905.td-b3lyp_6-31+g(d).gjf (generated)

000825905.td-b3lyp_6-31+g(d).firefly.inp (generated)

000825905.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000825905.mol 000825905.PUBCHEM 000825905.mol (via Jmol)
000825907.b3lyp_6-31g(d).inp

000825907.b3lyp_6-31g(d).qchem.inp (generated)

000825907.b3lyp_6-31g(d).gjf (generated)

000825907.b3lyp_6-31g(d).firefly.inp (generated)

000825907.b3lyp_6-31g(d).smash.inp (generated)

000825907.b3lyp_6-31g(d).nwchem.inp (generated) 000825907.b3lyp_6-31g(d).log.xz 000825907.td-b3lyp_6-31g+(d).inp 000825907.td-b3lyp_6-31g+(d).log.xz

000825907.td-b3lyp_6-31+g(d).qchem.inp (generated)

000825907.td-b3lyp_6-31+g(d).gjf (generated)

000825907.td-b3lyp_6-31+g(d).firefly.inp (generated)

000825907.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000825907.mol 000825907.PUBCHEM 000825907.mol (via Jmol)
000825918.b3lyp_6-31g(d).inp

000825918.b3lyp_6-31g(d).qchem.inp (generated)

000825918.b3lyp_6-31g(d).gjf (generated)

000825918.b3lyp_6-31g(d).firefly.inp (generated)

000825918.b3lyp_6-31g(d).smash.inp (generated)

000825918.b3lyp_6-31g(d).nwchem.inp (generated) 000825918.b3lyp_6-31g(d).log.xz 000825918.td-b3lyp_6-31g+(d).inp 000825918.td-b3lyp_6-31g+(d).log.xz

000825918.td-b3lyp_6-31+g(d).qchem.inp (generated)

000825918.td-b3lyp_6-31+g(d).gjf (generated)

000825918.td-b3lyp_6-31+g(d).firefly.inp (generated)

000825918.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000825918.mol 000825918.PUBCHEM 000825918.mol (via Jmol)
000825919.b3lyp_6-31g(d).inp

000825919.b3lyp_6-31g(d).qchem.inp (generated)

000825919.b3lyp_6-31g(d).gjf (generated)

000825919.b3lyp_6-31g(d).firefly.inp (generated)

000825919.b3lyp_6-31g(d).smash.inp (generated)

000825919.b3lyp_6-31g(d).nwchem.inp (generated) 000825919.b3lyp_6-31g(d).log.xz 000825919.td-b3lyp_6-31g+(d).inp 000825919.td-b3lyp_6-31g+(d).log.xz

000825919.td-b3lyp_6-31+g(d).qchem.inp (generated)

000825919.td-b3lyp_6-31+g(d).gjf (generated)

000825919.td-b3lyp_6-31+g(d).firefly.inp (generated)

000825919.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000825919.mol 000825919.PUBCHEM 000825919.mol (via Jmol)
000825924.b3lyp_6-31g(d).inp

000825924.b3lyp_6-31g(d).qchem.inp (generated)

000825924.b3lyp_6-31g(d).gjf (generated)

000825924.b3lyp_6-31g(d).firefly.inp (generated)

000825924.b3lyp_6-31g(d).smash.inp (generated)

000825924.b3lyp_6-31g(d).nwchem.inp (generated) 000825924.b3lyp_6-31g(d).log.xz 000825924.td-b3lyp_6-31g+(d).inp 000825924.td-b3lyp_6-31g+(d).log.xz

000825924.td-b3lyp_6-31+g(d).qchem.inp (generated)

000825924.td-b3lyp_6-31+g(d).gjf (generated)

000825924.td-b3lyp_6-31+g(d).firefly.inp (generated)

000825924.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000825924.mol 000825924.PUBCHEM 000825924.mol (via Jmol)
000825925.b3lyp_6-31g(d).inp

000825925.b3lyp_6-31g(d).qchem.inp (generated)

000825925.b3lyp_6-31g(d).gjf (generated)

000825925.b3lyp_6-31g(d).firefly.inp (generated)

000825925.b3lyp_6-31g(d).smash.inp (generated)

000825925.b3lyp_6-31g(d).nwchem.inp (generated) 000825925.b3lyp_6-31g(d).log.xz 000825925.td-b3lyp_6-31g+(d).inp 000825925.td-b3lyp_6-31g+(d).log.xz

000825925.td-b3lyp_6-31+g(d).qchem.inp (generated)

000825925.td-b3lyp_6-31+g(d).gjf (generated)

000825925.td-b3lyp_6-31+g(d).firefly.inp (generated)

000825925.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000825925.mol 000825925.PUBCHEM 000825925.mol (via Jmol)
000825926.b3lyp_6-31g(d).inp

000825926.b3lyp_6-31g(d).qchem.inp (generated)

000825926.b3lyp_6-31g(d).gjf (generated)

000825926.b3lyp_6-31g(d).firefly.inp (generated)

000825926.b3lyp_6-31g(d).smash.inp (generated)

000825926.b3lyp_6-31g(d).nwchem.inp (generated) 000825926.b3lyp_6-31g(d).log.xz 000825926.mol 000825926.PUBCHEM 000825926.mol (via Jmol)
000825927.b3lyp_6-31g(d).inp

000825927.b3lyp_6-31g(d).qchem.inp (generated)

000825927.b3lyp_6-31g(d).gjf (generated)

000825927.b3lyp_6-31g(d).firefly.inp (generated)

000825927.b3lyp_6-31g(d).smash.inp (generated)

000825927.b3lyp_6-31g(d).nwchem.inp (generated) 000825927.b3lyp_6-31g(d).log.xz 000825927.td-b3lyp_6-31g+(d).inp 000825927.td-b3lyp_6-31g+(d).log.xz

000825927.td-b3lyp_6-31+g(d).qchem.inp (generated)

000825927.td-b3lyp_6-31+g(d).gjf (generated)

000825927.td-b3lyp_6-31+g(d).firefly.inp (generated)

000825927.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000825927.mol 000825927.PUBCHEM 000825927.mol (via Jmol)
000825931.b3lyp_6-31g(d).inp

000825931.b3lyp_6-31g(d).qchem.inp (generated)

000825931.b3lyp_6-31g(d).gjf (generated)

000825931.b3lyp_6-31g(d).firefly.inp (generated)

000825931.b3lyp_6-31g(d).smash.inp (generated)

000825931.b3lyp_6-31g(d).nwchem.inp (generated) 000825931.b3lyp_6-31g(d).log.xz 000825931.td-b3lyp_6-31g+(d).inp 000825931.td-b3lyp_6-31g+(d).log.xz

000825931.td-b3lyp_6-31+g(d).qchem.inp (generated)

000825931.td-b3lyp_6-31+g(d).gjf (generated)

000825931.td-b3lyp_6-31+g(d).firefly.inp (generated)

000825931.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000825931.mol 000825931.PUBCHEM 000825931.mol (via Jmol)
000825932.b3lyp_6-31g(d).inp

000825932.b3lyp_6-31g(d).qchem.inp (generated)

000825932.b3lyp_6-31g(d).gjf (generated)

000825932.b3lyp_6-31g(d).firefly.inp (generated)

000825932.b3lyp_6-31g(d).smash.inp (generated)

000825932.b3lyp_6-31g(d).nwchem.inp (generated) 000825932.b3lyp_6-31g(d).log.xz 000825932.td-b3lyp_6-31g+(d).inp 000825932.td-b3lyp_6-31g+(d).log.xz

000825932.td-b3lyp_6-31+g(d).qchem.inp (generated)

000825932.td-b3lyp_6-31+g(d).gjf (generated)

000825932.td-b3lyp_6-31+g(d).firefly.inp (generated)

000825932.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000825932.mol 000825932.PUBCHEM 000825932.mol (via Jmol)
000825940.b3lyp_6-31g(d).inp

000825940.b3lyp_6-31g(d).qchem.inp (generated)

000825940.b3lyp_6-31g(d).gjf (generated)

000825940.b3lyp_6-31g(d).firefly.inp (generated)

000825940.b3lyp_6-31g(d).smash.inp (generated)

000825940.b3lyp_6-31g(d).nwchem.inp (generated) 000825940.b3lyp_6-31g(d).log.xz 000825940.td-b3lyp_6-31g+(d).inp 000825940.td-b3lyp_6-31g+(d).log.xz

000825940.td-b3lyp_6-31+g(d).qchem.inp (generated)

000825940.td-b3lyp_6-31+g(d).gjf (generated)

000825940.td-b3lyp_6-31+g(d).firefly.inp (generated)

000825940.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000825940.mol 000825940.PUBCHEM 000825940.mol (via Jmol)
000825941.b3lyp_6-31g(d).inp

000825941.b3lyp_6-31g(d).qchem.inp (generated)

000825941.b3lyp_6-31g(d).gjf (generated)

000825941.b3lyp_6-31g(d).firefly.inp (generated)

000825941.b3lyp_6-31g(d).smash.inp (generated)

000825941.b3lyp_6-31g(d).nwchem.inp (generated) 000825941.b3lyp_6-31g(d).log.xz 000825941.mol 000825941.PUBCHEM 000825941.mol (via Jmol)
000825942.b3lyp_6-31g(d).inp

000825942.b3lyp_6-31g(d).qchem.inp (generated)

000825942.b3lyp_6-31g(d).gjf (generated)

000825942.b3lyp_6-31g(d).firefly.inp (generated)

000825942.b3lyp_6-31g(d).smash.inp (generated)

000825942.b3lyp_6-31g(d).nwchem.inp (generated) 000825942.b3lyp_6-31g(d).log.xz 000825942.mol 000825942.PUBCHEM 000825942.mol (via Jmol)
000825943.b3lyp_6-31g(d).inp

000825943.b3lyp_6-31g(d).qchem.inp (generated)

000825943.b3lyp_6-31g(d).gjf (generated)

000825943.b3lyp_6-31g(d).firefly.inp (generated)

000825943.b3lyp_6-31g(d).smash.inp (generated)

000825943.b3lyp_6-31g(d).nwchem.inp (generated) 000825943.b3lyp_6-31g(d).log.xz 000825943.mol 000825943.PUBCHEM 000825943.mol (via Jmol)
000825944.b3lyp_6-31g(d).inp

000825944.b3lyp_6-31g(d).qchem.inp (generated)

000825944.b3lyp_6-31g(d).gjf (generated)

000825944.b3lyp_6-31g(d).firefly.inp (generated)

000825944.b3lyp_6-31g(d).smash.inp (generated)

000825944.b3lyp_6-31g(d).nwchem.inp (generated) 000825944.b3lyp_6-31g(d).log.xz 000825944.td-b3lyp_6-31g+(d).inp 000825944.td-b3lyp_6-31g+(d).log.xz

000825944.td-b3lyp_6-31+g(d).qchem.inp (generated)

000825944.td-b3lyp_6-31+g(d).gjf (generated)

000825944.td-b3lyp_6-31+g(d).firefly.inp (generated)

000825944.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000825944.mol 000825944.PUBCHEM 000825944.mol (via Jmol)
000825955.b3lyp_6-31g(d).inp

000825955.b3lyp_6-31g(d).qchem.inp (generated)

000825955.b3lyp_6-31g(d).gjf (generated)

000825955.b3lyp_6-31g(d).firefly.inp (generated)

000825955.b3lyp_6-31g(d).smash.inp (generated)

000825955.b3lyp_6-31g(d).nwchem.inp (generated) 000825955.b3lyp_6-31g(d).log.xz 000825955.td-b3lyp_6-31g+(d).inp 000825955.td-b3lyp_6-31g+(d).log.xz

000825955.td-b3lyp_6-31+g(d).qchem.inp (generated)

000825955.td-b3lyp_6-31+g(d).gjf (generated)

000825955.td-b3lyp_6-31+g(d).firefly.inp (generated)

000825955.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000825955.mol 000825955.PUBCHEM 000825955.mol (via Jmol)
000825956.b3lyp_6-31g(d).inp

000825956.b3lyp_6-31g(d).qchem.inp (generated)

000825956.b3lyp_6-31g(d).gjf (generated)

000825956.b3lyp_6-31g(d).firefly.inp (generated)

000825956.b3lyp_6-31g(d).smash.inp (generated)

000825956.b3lyp_6-31g(d).nwchem.inp (generated) 000825956.b3lyp_6-31g(d).log.xz 000825956.td-b3lyp_6-31g+(d).inp 000825956.td-b3lyp_6-31g+(d).log.xz

000825956.td-b3lyp_6-31+g(d).qchem.inp (generated)

000825956.td-b3lyp_6-31+g(d).gjf (generated)

000825956.td-b3lyp_6-31+g(d).firefly.inp (generated)

000825956.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000825956.mol 000825956.PUBCHEM 000825956.mol (via Jmol)
000825957.b3lyp_6-31g(d).inp

000825957.b3lyp_6-31g(d).qchem.inp (generated)

000825957.b3lyp_6-31g(d).gjf (generated)

000825957.b3lyp_6-31g(d).firefly.inp (generated)

000825957.b3lyp_6-31g(d).smash.inp (generated)

000825957.b3lyp_6-31g(d).nwchem.inp (generated) 000825957.b3lyp_6-31g(d).log.xz 000825957.td-b3lyp_6-31g+(d).inp 000825957.td-b3lyp_6-31g+(d).log.xz

000825957.td-b3lyp_6-31+g(d).qchem.inp (generated)

000825957.td-b3lyp_6-31+g(d).gjf (generated)

000825957.td-b3lyp_6-31+g(d).firefly.inp (generated)

000825957.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000825957.mol 000825957.PUBCHEM 000825957.mol (via Jmol)
000825959.b3lyp_6-31g(d).inp

000825959.b3lyp_6-31g(d).qchem.inp (generated)

000825959.b3lyp_6-31g(d).gjf (generated)

000825959.b3lyp_6-31g(d).firefly.inp (generated)

000825959.b3lyp_6-31g(d).smash.inp (generated)

000825959.b3lyp_6-31g(d).nwchem.inp (generated) 000825959.b3lyp_6-31g(d).log.xz 000825959.td-b3lyp_6-31g+(d).inp 000825959.td-b3lyp_6-31g+(d).log.xz

000825959.td-b3lyp_6-31+g(d).qchem.inp (generated)

000825959.td-b3lyp_6-31+g(d).gjf (generated)

000825959.td-b3lyp_6-31+g(d).firefly.inp (generated)

000825959.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000825959.mol 000825959.PUBCHEM 000825959.mol (via Jmol)
000825960.b3lyp_6-31g(d).inp

000825960.b3lyp_6-31g(d).qchem.inp (generated)

000825960.b3lyp_6-31g(d).gjf (generated)

000825960.b3lyp_6-31g(d).firefly.inp (generated)

000825960.b3lyp_6-31g(d).smash.inp (generated)

000825960.b3lyp_6-31g(d).nwchem.inp (generated) 000825960.b3lyp_6-31g(d).log.xz 000825960.td-b3lyp_6-31g+(d).inp 000825960.td-b3lyp_6-31g+(d).log.xz

000825960.td-b3lyp_6-31+g(d).qchem.inp (generated)

000825960.td-b3lyp_6-31+g(d).gjf (generated)

000825960.td-b3lyp_6-31+g(d).firefly.inp (generated)

000825960.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000825960.mol 000825960.PUBCHEM 000825960.mol (via Jmol)
000825961.b3lyp_6-31g(d).inp

000825961.b3lyp_6-31g(d).qchem.inp (generated)

000825961.b3lyp_6-31g(d).gjf (generated)

000825961.b3lyp_6-31g(d).firefly.inp (generated)

000825961.b3lyp_6-31g(d).smash.inp (generated)

000825961.b3lyp_6-31g(d).nwchem.inp (generated) 000825961.b3lyp_6-31g(d).log.xz 000825961.td-b3lyp_6-31g+(d).inp 000825961.td-b3lyp_6-31g+(d).log.xz

000825961.td-b3lyp_6-31+g(d).qchem.inp (generated)

000825961.td-b3lyp_6-31+g(d).gjf (generated)

000825961.td-b3lyp_6-31+g(d).firefly.inp (generated)

000825961.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000825961.mol 000825961.PUBCHEM 000825961.mol (via Jmol)
000825962.b3lyp_6-31g(d).inp

000825962.b3lyp_6-31g(d).qchem.inp (generated)

000825962.b3lyp_6-31g(d).gjf (generated)

000825962.b3lyp_6-31g(d).firefly.inp (generated)

000825962.b3lyp_6-31g(d).smash.inp (generated)

000825962.b3lyp_6-31g(d).nwchem.inp (generated) 000825962.b3lyp_6-31g(d).log.xz 000825962.td-b3lyp_6-31g+(d).inp 000825962.td-b3lyp_6-31g+(d).log.xz

000825962.td-b3lyp_6-31+g(d).qchem.inp (generated)

000825962.td-b3lyp_6-31+g(d).gjf (generated)

000825962.td-b3lyp_6-31+g(d).firefly.inp (generated)

000825962.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000825962.mol 000825962.PUBCHEM 000825962.mol (via Jmol)
000825963.b3lyp_6-31g(d).inp

000825963.b3lyp_6-31g(d).qchem.inp (generated)

000825963.b3lyp_6-31g(d).gjf (generated)

000825963.b3lyp_6-31g(d).firefly.inp (generated)

000825963.b3lyp_6-31g(d).smash.inp (generated)

000825963.b3lyp_6-31g(d).nwchem.inp (generated) 000825963.b3lyp_6-31g(d).log.xz 000825963.td-b3lyp_6-31g+(d).inp 000825963.td-b3lyp_6-31g+(d).log.xz

000825963.td-b3lyp_6-31+g(d).qchem.inp (generated)

000825963.td-b3lyp_6-31+g(d).gjf (generated)

000825963.td-b3lyp_6-31+g(d).firefly.inp (generated)

000825963.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000825963.mol 000825963.PUBCHEM 000825963.mol (via Jmol)
000825966.b3lyp_6-31g(d).inp

000825966.b3lyp_6-31g(d).qchem.inp (generated)

000825966.b3lyp_6-31g(d).gjf (generated)

000825966.b3lyp_6-31g(d).firefly.inp (generated)

000825966.b3lyp_6-31g(d).smash.inp (generated)

000825966.b3lyp_6-31g(d).nwchem.inp (generated) 000825966.b3lyp_6-31g(d).log.xz 000825966.td-b3lyp_6-31g+(d).inp 000825966.td-b3lyp_6-31g+(d).log.xz

000825966.td-b3lyp_6-31+g(d).qchem.inp (generated)

000825966.td-b3lyp_6-31+g(d).gjf (generated)

000825966.td-b3lyp_6-31+g(d).firefly.inp (generated)

000825966.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000825966.mol 000825966.PUBCHEM 000825966.mol (via Jmol)
000825971.b3lyp_6-31g(d).inp

000825971.b3lyp_6-31g(d).qchem.inp (generated)

000825971.b3lyp_6-31g(d).gjf (generated)

000825971.b3lyp_6-31g(d).firefly.inp (generated)

000825971.b3lyp_6-31g(d).smash.inp (generated)

000825971.b3lyp_6-31g(d).nwchem.inp (generated) 000825971.b3lyp_6-31g(d).log.xz 000825971.td-b3lyp_6-31g+(d).inp 000825971.td-b3lyp_6-31g+(d).log.xz

000825971.td-b3lyp_6-31+g(d).qchem.inp (generated)

000825971.td-b3lyp_6-31+g(d).gjf (generated)

000825971.td-b3lyp_6-31+g(d).firefly.inp (generated)

000825971.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000825971.mol 000825971.PUBCHEM 000825971.mol (via Jmol)
000825997.b3lyp_6-31g(d).inp

000825997.b3lyp_6-31g(d).qchem.inp (generated)

000825997.b3lyp_6-31g(d).gjf (generated)

000825997.b3lyp_6-31g(d).firefly.inp (generated)

000825997.b3lyp_6-31g(d).smash.inp (generated)

000825997.b3lyp_6-31g(d).nwchem.inp (generated) 000825997.b3lyp_6-31g(d).log.xz 000825997.td-b3lyp_6-31g+(d).inp 000825997.td-b3lyp_6-31g+(d).log.xz

000825997.td-b3lyp_6-31+g(d).qchem.inp (generated)

000825997.td-b3lyp_6-31+g(d).gjf (generated)

000825997.td-b3lyp_6-31+g(d).firefly.inp (generated)

000825997.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000825997.mol 000825997.PUBCHEM 000825997.mol (via Jmol)
000825998.b3lyp_6-31g(d).inp

000825998.b3lyp_6-31g(d).qchem.inp (generated)

000825998.b3lyp_6-31g(d).gjf (generated)

000825998.b3lyp_6-31g(d).firefly.inp (generated)

000825998.b3lyp_6-31g(d).smash.inp (generated)

000825998.b3lyp_6-31g(d).nwchem.inp (generated) 000825998.b3lyp_6-31g(d).log.xz 000825998.td-b3lyp_6-31g+(d).inp 000825998.td-b3lyp_6-31g+(d).log.xz

000825998.td-b3lyp_6-31+g(d).qchem.inp (generated)

000825998.td-b3lyp_6-31+g(d).gjf (generated)

000825998.td-b3lyp_6-31+g(d).firefly.inp (generated)

000825998.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000825998.mol 000825998.PUBCHEM 000825998.mol (via Jmol)
000825999.b3lyp_6-31g(d).inp

000825999.b3lyp_6-31g(d).qchem.inp (generated)

000825999.b3lyp_6-31g(d).gjf (generated)

000825999.b3lyp_6-31g(d).firefly.inp (generated)

000825999.b3lyp_6-31g(d).smash.inp (generated)

000825999.b3lyp_6-31g(d).nwchem.inp (generated) 000825999.b3lyp_6-31g(d).log.xz 000825999.td-b3lyp_6-31g+(d).inp 000825999.td-b3lyp_6-31g+(d).log.xz

000825999.td-b3lyp_6-31+g(d).qchem.inp (generated)

000825999.td-b3lyp_6-31+g(d).gjf (generated)

000825999.td-b3lyp_6-31+g(d).firefly.inp (generated)

000825999.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000825999.mol 000825999.PUBCHEM 000825999.mol (via Jmol)
000826000.b3lyp_6-31g(d).inp

000826000.b3lyp_6-31g(d).qchem.inp (generated)

000826000.b3lyp_6-31g(d).gjf (generated)

000826000.b3lyp_6-31g(d).firefly.inp (generated)

000826000.b3lyp_6-31g(d).smash.inp (generated)

000826000.b3lyp_6-31g(d).nwchem.inp (generated) 000826000.b3lyp_6-31g(d).log.xz 000826000.td-b3lyp_6-31g+(d).inp 000826000.td-b3lyp_6-31g+(d).log.xz

000826000.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826000.td-b3lyp_6-31+g(d).gjf (generated)

000826000.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826000.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826000.mol 000826000.PUBCHEM 000826000.mol (via Jmol)
000826008.b3lyp_6-31g(d).inp

000826008.b3lyp_6-31g(d).qchem.inp (generated)

000826008.b3lyp_6-31g(d).gjf (generated)

000826008.b3lyp_6-31g(d).firefly.inp (generated)

000826008.b3lyp_6-31g(d).smash.inp (generated)

000826008.b3lyp_6-31g(d).nwchem.inp (generated) 000826008.b3lyp_6-31g(d).log.xz 000826008.td-b3lyp_6-31g+(d).inp 000826008.td-b3lyp_6-31g+(d).log.xz

000826008.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826008.td-b3lyp_6-31+g(d).gjf (generated)

000826008.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826008.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826008.mol 000826008.PUBCHEM 000826008.mol (via Jmol)
000826009.b3lyp_6-31g(d).inp

000826009.b3lyp_6-31g(d).qchem.inp (generated)

000826009.b3lyp_6-31g(d).gjf (generated)

000826009.b3lyp_6-31g(d).firefly.inp (generated)

000826009.b3lyp_6-31g(d).smash.inp (generated)

000826009.b3lyp_6-31g(d).nwchem.inp (generated) 000826009.b3lyp_6-31g(d).log.xz 000826009.td-b3lyp_6-31g+(d).inp 000826009.td-b3lyp_6-31g+(d).log.xz

000826009.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826009.td-b3lyp_6-31+g(d).gjf (generated)

000826009.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826009.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826009.mol 000826009.PUBCHEM 000826009.mol (via Jmol)
000826010.b3lyp_6-31g(d).inp

000826010.b3lyp_6-31g(d).qchem.inp (generated)

000826010.b3lyp_6-31g(d).gjf (generated)

000826010.b3lyp_6-31g(d).firefly.inp (generated)

000826010.b3lyp_6-31g(d).smash.inp (generated)

000826010.b3lyp_6-31g(d).nwchem.inp (generated) 000826010.b3lyp_6-31g(d).log.xz 000826010.td-b3lyp_6-31g+(d).inp 000826010.td-b3lyp_6-31g+(d).log.xz

000826010.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826010.td-b3lyp_6-31+g(d).gjf (generated)

000826010.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826010.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826010.mol 000826010.PUBCHEM 000826010.mol (via Jmol)
000826012.b3lyp_6-31g(d).inp

000826012.b3lyp_6-31g(d).qchem.inp (generated)

000826012.b3lyp_6-31g(d).gjf (generated)

000826012.b3lyp_6-31g(d).firefly.inp (generated)

000826012.b3lyp_6-31g(d).smash.inp (generated)

000826012.b3lyp_6-31g(d).nwchem.inp (generated) 000826012.b3lyp_6-31g(d).log.xz 000826012.td-b3lyp_6-31g+(d).inp 000826012.td-b3lyp_6-31g+(d).log.xz

000826012.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826012.td-b3lyp_6-31+g(d).gjf (generated)

000826012.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826012.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826012.mol 000826012.PUBCHEM 000826012.mol (via Jmol)
000826013.b3lyp_6-31g(d).inp

000826013.b3lyp_6-31g(d).qchem.inp (generated)

000826013.b3lyp_6-31g(d).gjf (generated)

000826013.b3lyp_6-31g(d).firefly.inp (generated)

000826013.b3lyp_6-31g(d).smash.inp (generated)

000826013.b3lyp_6-31g(d).nwchem.inp (generated) 000826013.b3lyp_6-31g(d).log.xz 000826013.td-b3lyp_6-31g+(d).inp 000826013.td-b3lyp_6-31g+(d).log.xz

000826013.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826013.td-b3lyp_6-31+g(d).gjf (generated)

000826013.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826013.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826013.mol 000826013.PUBCHEM 000826013.mol (via Jmol)
000826014.b3lyp_6-31g(d).inp

000826014.b3lyp_6-31g(d).qchem.inp (generated)

000826014.b3lyp_6-31g(d).gjf (generated)

000826014.b3lyp_6-31g(d).firefly.inp (generated)

000826014.b3lyp_6-31g(d).smash.inp (generated)

000826014.b3lyp_6-31g(d).nwchem.inp (generated) 000826014.b3lyp_6-31g(d).log.xz 000826014.td-b3lyp_6-31g+(d).inp 000826014.td-b3lyp_6-31g+(d).log.xz

000826014.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826014.td-b3lyp_6-31+g(d).gjf (generated)

000826014.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826014.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826014.mol 000826014.PUBCHEM 000826014.mol (via Jmol)
000826020.b3lyp_6-31g(d).inp

000826020.b3lyp_6-31g(d).qchem.inp (generated)

000826020.b3lyp_6-31g(d).gjf (generated)

000826020.b3lyp_6-31g(d).firefly.inp (generated)

000826020.b3lyp_6-31g(d).smash.inp (generated)

000826020.b3lyp_6-31g(d).nwchem.inp (generated) 000826020.b3lyp_6-31g(d).log.xz 000826020.mol 000826020.PUBCHEM 000826020.mol (via Jmol)
000826021.b3lyp_6-31g(d).inp

000826021.b3lyp_6-31g(d).qchem.inp (generated)

000826021.b3lyp_6-31g(d).gjf (generated)

000826021.b3lyp_6-31g(d).firefly.inp (generated)

000826021.b3lyp_6-31g(d).smash.inp (generated)

000826021.b3lyp_6-31g(d).nwchem.inp (generated) 000826021.b3lyp_6-31g(d).log.xz 000826021.mol 000826021.PUBCHEM 000826021.mol (via Jmol)
000826023.b3lyp_6-31g(d).inp

000826023.b3lyp_6-31g(d).qchem.inp (generated)

000826023.b3lyp_6-31g(d).gjf (generated)

000826023.b3lyp_6-31g(d).firefly.inp (generated)

000826023.b3lyp_6-31g(d).smash.inp (generated)

000826023.b3lyp_6-31g(d).nwchem.inp (generated) 000826023.b3lyp_6-31g(d).log.xz 000826023.mol 000826023.PUBCHEM 000826023.mol (via Jmol)
000826024.b3lyp_6-31g(d).inp

000826024.b3lyp_6-31g(d).qchem.inp (generated)

000826024.b3lyp_6-31g(d).gjf (generated)

000826024.b3lyp_6-31g(d).firefly.inp (generated)

000826024.b3lyp_6-31g(d).smash.inp (generated)

000826024.b3lyp_6-31g(d).nwchem.inp (generated) 000826024.b3lyp_6-31g(d).log.xz 000826024.mol 000826024.PUBCHEM 000826024.mol (via Jmol)
000826055.b3lyp_6-31g(d).inp

000826055.b3lyp_6-31g(d).qchem.inp (generated)

000826055.b3lyp_6-31g(d).gjf (generated)

000826055.b3lyp_6-31g(d).firefly.inp (generated)

000826055.b3lyp_6-31g(d).smash.inp (generated)

000826055.b3lyp_6-31g(d).nwchem.inp (generated) 000826055.b3lyp_6-31g(d).log.xz 000826055.td-b3lyp_6-31g+(d).inp 000826055.td-b3lyp_6-31g+(d).log.xz

000826055.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826055.td-b3lyp_6-31+g(d).gjf (generated)

000826055.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826055.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826055.mol 000826055.PUBCHEM 000826055.mol (via Jmol)
000826057.b3lyp_6-31g(d).inp

000826057.b3lyp_6-31g(d).qchem.inp (generated)

000826057.b3lyp_6-31g(d).gjf (generated)

000826057.b3lyp_6-31g(d).firefly.inp (generated)

000826057.b3lyp_6-31g(d).smash.inp (generated)

000826057.b3lyp_6-31g(d).nwchem.inp (generated) 000826057.b3lyp_6-31g(d).log.xz 000826057.td-b3lyp_6-31g+(d).inp 000826057.td-b3lyp_6-31g+(d).log.xz

000826057.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826057.td-b3lyp_6-31+g(d).gjf (generated)

000826057.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826057.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826057.mol 000826057.PUBCHEM 000826057.mol (via Jmol)
000826058.b3lyp_6-31g(d).inp

000826058.b3lyp_6-31g(d).qchem.inp (generated)

000826058.b3lyp_6-31g(d).gjf (generated)

000826058.b3lyp_6-31g(d).firefly.inp (generated)

000826058.b3lyp_6-31g(d).smash.inp (generated)

000826058.b3lyp_6-31g(d).nwchem.inp (generated) 000826058.b3lyp_6-31g(d).log.xz 000826058.td-b3lyp_6-31g+(d).inp 000826058.td-b3lyp_6-31g+(d).log.xz

000826058.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826058.td-b3lyp_6-31+g(d).gjf (generated)

000826058.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826058.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826058.mol 000826058.PUBCHEM 000826058.mol (via Jmol)
000826060.b3lyp_6-31g(d).inp

000826060.b3lyp_6-31g(d).qchem.inp (generated)

000826060.b3lyp_6-31g(d).gjf (generated)

000826060.b3lyp_6-31g(d).firefly.inp (generated)

000826060.b3lyp_6-31g(d).smash.inp (generated)

000826060.b3lyp_6-31g(d).nwchem.inp (generated) 000826060.b3lyp_6-31g(d).log.xz 000826060.td-b3lyp_6-31g+(d).inp 000826060.td-b3lyp_6-31g+(d).log.xz

000826060.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826060.td-b3lyp_6-31+g(d).gjf (generated)

000826060.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826060.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826060.mol 000826060.PUBCHEM 000826060.mol (via Jmol)
000826061.b3lyp_6-31g(d).inp

000826061.b3lyp_6-31g(d).qchem.inp (generated)

000826061.b3lyp_6-31g(d).gjf (generated)

000826061.b3lyp_6-31g(d).firefly.inp (generated)

000826061.b3lyp_6-31g(d).smash.inp (generated)

000826061.b3lyp_6-31g(d).nwchem.inp (generated) 000826061.b3lyp_6-31g(d).log.xz 000826061.td-b3lyp_6-31g+(d).inp 000826061.td-b3lyp_6-31g+(d).log.xz

000826061.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826061.td-b3lyp_6-31+g(d).gjf (generated)

000826061.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826061.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826061.mol 000826061.PUBCHEM 000826061.mol (via Jmol)
000826062.b3lyp_6-31g(d).inp

000826062.b3lyp_6-31g(d).qchem.inp (generated)

000826062.b3lyp_6-31g(d).gjf (generated)

000826062.b3lyp_6-31g(d).firefly.inp (generated)

000826062.b3lyp_6-31g(d).smash.inp (generated)

000826062.b3lyp_6-31g(d).nwchem.inp (generated) 000826062.b3lyp_6-31g(d).log.xz 000826062.td-b3lyp_6-31g+(d).inp 000826062.td-b3lyp_6-31g+(d).log.xz

000826062.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826062.td-b3lyp_6-31+g(d).gjf (generated)

000826062.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826062.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826062.mol 000826062.PUBCHEM 000826062.mol (via Jmol)
000826063.b3lyp_6-31g(d).inp

000826063.b3lyp_6-31g(d).qchem.inp (generated)

000826063.b3lyp_6-31g(d).gjf (generated)

000826063.b3lyp_6-31g(d).firefly.inp (generated)

000826063.b3lyp_6-31g(d).smash.inp (generated)

000826063.b3lyp_6-31g(d).nwchem.inp (generated) 000826063.b3lyp_6-31g(d).log.xz 000826063.td-b3lyp_6-31g+(d).inp 000826063.td-b3lyp_6-31g+(d).log.xz

000826063.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826063.td-b3lyp_6-31+g(d).gjf (generated)

000826063.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826063.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826063.mol 000826063.PUBCHEM 000826063.mol (via Jmol)
000826064.b3lyp_6-31g(d).inp

000826064.b3lyp_6-31g(d).qchem.inp (generated)

000826064.b3lyp_6-31g(d).gjf (generated)

000826064.b3lyp_6-31g(d).firefly.inp (generated)

000826064.b3lyp_6-31g(d).smash.inp (generated)

000826064.b3lyp_6-31g(d).nwchem.inp (generated) 000826064.b3lyp_6-31g(d).log.xz 000826064.td-b3lyp_6-31g+(d).inp 000826064.td-b3lyp_6-31g+(d).log.xz

000826064.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826064.td-b3lyp_6-31+g(d).gjf (generated)

000826064.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826064.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826064.mol 000826064.PUBCHEM 000826064.mol (via Jmol)
000826066.b3lyp_6-31g(d).inp

000826066.b3lyp_6-31g(d).qchem.inp (generated)

000826066.b3lyp_6-31g(d).gjf (generated)

000826066.b3lyp_6-31g(d).firefly.inp (generated)

000826066.b3lyp_6-31g(d).smash.inp (generated)

000826066.b3lyp_6-31g(d).nwchem.inp (generated) 000826066.b3lyp_6-31g(d).log.xz 000826066.td-b3lyp_6-31g+(d).inp 000826066.td-b3lyp_6-31g+(d).log.xz

000826066.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826066.td-b3lyp_6-31+g(d).gjf (generated)

000826066.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826066.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826066.mol 000826066.PUBCHEM 000826066.mol (via Jmol)
000826067.b3lyp_6-31g(d).inp

000826067.b3lyp_6-31g(d).qchem.inp (generated)

000826067.b3lyp_6-31g(d).gjf (generated)

000826067.b3lyp_6-31g(d).firefly.inp (generated)

000826067.b3lyp_6-31g(d).smash.inp (generated)

000826067.b3lyp_6-31g(d).nwchem.inp (generated) 000826067.b3lyp_6-31g(d).log.xz 000826067.td-b3lyp_6-31g+(d).inp 000826067.td-b3lyp_6-31g+(d).log.xz

000826067.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826067.td-b3lyp_6-31+g(d).gjf (generated)

000826067.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826067.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826067.mol 000826067.PUBCHEM 000826067.mol (via Jmol)
000826073.b3lyp_6-31g(d).inp

000826073.b3lyp_6-31g(d).qchem.inp (generated)

000826073.b3lyp_6-31g(d).gjf (generated)

000826073.b3lyp_6-31g(d).firefly.inp (generated)

000826073.b3lyp_6-31g(d).smash.inp (generated)

000826073.b3lyp_6-31g(d).nwchem.inp (generated) 000826073.b3lyp_6-31g(d).log.xz 000826073.td-b3lyp_6-31g+(d).inp 000826073.td-b3lyp_6-31g+(d).log.xz

000826073.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826073.td-b3lyp_6-31+g(d).gjf (generated)

000826073.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826073.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826073.mol 000826073.PUBCHEM 000826073.mol (via Jmol)
000826079.b3lyp_6-31g(d).inp

000826079.b3lyp_6-31g(d).qchem.inp (generated)

000826079.b3lyp_6-31g(d).gjf (generated)

000826079.b3lyp_6-31g(d).firefly.inp (generated)

000826079.b3lyp_6-31g(d).smash.inp (generated)

000826079.b3lyp_6-31g(d).nwchem.inp (generated) 000826079.b3lyp_6-31g(d).log.xz 000826079.td-b3lyp_6-31g+(d).inp 000826079.td-b3lyp_6-31g+(d).log.xz

000826079.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826079.td-b3lyp_6-31+g(d).gjf (generated)

000826079.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826079.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826079.mol 000826079.PUBCHEM 000826079.mol (via Jmol)
000826080.b3lyp_6-31g(d).inp

000826080.b3lyp_6-31g(d).qchem.inp (generated)

000826080.b3lyp_6-31g(d).gjf (generated)

000826080.b3lyp_6-31g(d).firefly.inp (generated)

000826080.b3lyp_6-31g(d).smash.inp (generated)

000826080.b3lyp_6-31g(d).nwchem.inp (generated) 000826080.b3lyp_6-31g(d).log.xz 000826080.td-b3lyp_6-31g+(d).inp 000826080.td-b3lyp_6-31g+(d).log.xz

000826080.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826080.td-b3lyp_6-31+g(d).gjf (generated)

000826080.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826080.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826080.mol 000826080.PUBCHEM 000826080.mol (via Jmol)
000826081.b3lyp_6-31g(d).inp

000826081.b3lyp_6-31g(d).qchem.inp (generated)

000826081.b3lyp_6-31g(d).gjf (generated)

000826081.b3lyp_6-31g(d).firefly.inp (generated)

000826081.b3lyp_6-31g(d).smash.inp (generated)

000826081.b3lyp_6-31g(d).nwchem.inp (generated) 000826081.b3lyp_6-31g(d).log.xz 000826081.td-b3lyp_6-31g+(d).inp 000826081.td-b3lyp_6-31g+(d).log.xz

000826081.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826081.td-b3lyp_6-31+g(d).gjf (generated)

000826081.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826081.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826081.mol 000826081.PUBCHEM 000826081.mol (via Jmol)
000826083.b3lyp_6-31g(d).inp

000826083.b3lyp_6-31g(d).qchem.inp (generated)

000826083.b3lyp_6-31g(d).gjf (generated)

000826083.b3lyp_6-31g(d).firefly.inp (generated)

000826083.b3lyp_6-31g(d).smash.inp (generated)

000826083.b3lyp_6-31g(d).nwchem.inp (generated) 000826083.b3lyp_6-31g(d).log.xz 000826083.td-b3lyp_6-31g+(d).inp 000826083.td-b3lyp_6-31g+(d).log.xz

000826083.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826083.td-b3lyp_6-31+g(d).gjf (generated)

000826083.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826083.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826083.mol 000826083.PUBCHEM 000826083.mol (via Jmol)
000826084.b3lyp_6-31g(d).inp

000826084.b3lyp_6-31g(d).qchem.inp (generated)

000826084.b3lyp_6-31g(d).gjf (generated)

000826084.b3lyp_6-31g(d).firefly.inp (generated)

000826084.b3lyp_6-31g(d).smash.inp (generated)

000826084.b3lyp_6-31g(d).nwchem.inp (generated) 000826084.b3lyp_6-31g(d).log.xz 000826084.td-b3lyp_6-31g+(d).inp 000826084.td-b3lyp_6-31g+(d).log.xz

000826084.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826084.td-b3lyp_6-31+g(d).gjf (generated)

000826084.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826084.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826084.mol 000826084.PUBCHEM 000826084.mol (via Jmol)
000826085.b3lyp_6-31g(d).inp

000826085.b3lyp_6-31g(d).qchem.inp (generated)

000826085.b3lyp_6-31g(d).gjf (generated)

000826085.b3lyp_6-31g(d).firefly.inp (generated)

000826085.b3lyp_6-31g(d).smash.inp (generated)

000826085.b3lyp_6-31g(d).nwchem.inp (generated) 000826085.b3lyp_6-31g(d).log.xz 000826085.td-b3lyp_6-31g+(d).inp 000826085.td-b3lyp_6-31g+(d).log.xz

000826085.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826085.td-b3lyp_6-31+g(d).gjf (generated)

000826085.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826085.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826085.mol 000826085.PUBCHEM 000826085.mol (via Jmol)
000826087.b3lyp_6-31g(d).inp

000826087.b3lyp_6-31g(d).qchem.inp (generated)

000826087.b3lyp_6-31g(d).gjf (generated)

000826087.b3lyp_6-31g(d).firefly.inp (generated)

000826087.b3lyp_6-31g(d).smash.inp (generated)

000826087.b3lyp_6-31g(d).nwchem.inp (generated) 000826087.b3lyp_6-31g(d).log.xz 000826087.td-b3lyp_6-31g+(d).inp 000826087.td-b3lyp_6-31g+(d).log.xz

000826087.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826087.td-b3lyp_6-31+g(d).gjf (generated)

000826087.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826087.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826087.mol 000826087.PUBCHEM 000826087.mol (via Jmol)
000826090.b3lyp_6-31g(d).inp

000826090.b3lyp_6-31g(d).qchem.inp (generated)

000826090.b3lyp_6-31g(d).gjf (generated)

000826090.b3lyp_6-31g(d).firefly.inp (generated)

000826090.b3lyp_6-31g(d).smash.inp (generated)

000826090.b3lyp_6-31g(d).nwchem.inp (generated) 000826090.b3lyp_6-31g(d).log.xz 000826090.td-b3lyp_6-31g+(d).inp 000826090.td-b3lyp_6-31g+(d).log.xz

000826090.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826090.td-b3lyp_6-31+g(d).gjf (generated)

000826090.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826090.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826090.mol 000826090.PUBCHEM 000826090.mol (via Jmol)
000826094.b3lyp_6-31g(d).inp

000826094.b3lyp_6-31g(d).qchem.inp (generated)

000826094.b3lyp_6-31g(d).gjf (generated)

000826094.b3lyp_6-31g(d).firefly.inp (generated)

000826094.b3lyp_6-31g(d).smash.inp (generated)

000826094.b3lyp_6-31g(d).nwchem.inp (generated) 000826094.b3lyp_6-31g(d).log.xz 000826094.td-b3lyp_6-31g+(d).inp 000826094.td-b3lyp_6-31g+(d).log.xz

000826094.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826094.td-b3lyp_6-31+g(d).gjf (generated)

000826094.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826094.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826094.mol 000826094.PUBCHEM 000826094.mol (via Jmol)
000826096.b3lyp_6-31g(d).inp

000826096.b3lyp_6-31g(d).qchem.inp (generated)

000826096.b3lyp_6-31g(d).gjf (generated)

000826096.b3lyp_6-31g(d).firefly.inp (generated)

000826096.b3lyp_6-31g(d).smash.inp (generated)

000826096.b3lyp_6-31g(d).nwchem.inp (generated) 000826096.b3lyp_6-31g(d).log.xz 000826096.td-b3lyp_6-31g+(d).inp 000826096.td-b3lyp_6-31g+(d).log.xz

000826096.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826096.td-b3lyp_6-31+g(d).gjf (generated)

000826096.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826096.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826096.mol 000826096.PUBCHEM 000826096.mol (via Jmol)
000826101.b3lyp_6-31g(d).inp

000826101.b3lyp_6-31g(d).qchem.inp (generated)

000826101.b3lyp_6-31g(d).gjf (generated)

000826101.b3lyp_6-31g(d).firefly.inp (generated)

000826101.b3lyp_6-31g(d).smash.inp (generated)

000826101.b3lyp_6-31g(d).nwchem.inp (generated) 000826101.b3lyp_6-31g(d).log.xz 000826101.mol 000826101.PUBCHEM 000826101.mol (via Jmol)
000826103.b3lyp_6-31g(d).inp

000826103.b3lyp_6-31g(d).qchem.inp (generated)

000826103.b3lyp_6-31g(d).gjf (generated)

000826103.b3lyp_6-31g(d).firefly.inp (generated)

000826103.b3lyp_6-31g(d).smash.inp (generated)

000826103.b3lyp_6-31g(d).nwchem.inp (generated) 000826103.b3lyp_6-31g(d).log.xz 000826103.td-b3lyp_6-31g+(d).inp 000826103.td-b3lyp_6-31g+(d).log.xz

000826103.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826103.td-b3lyp_6-31+g(d).gjf (generated)

000826103.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826103.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826103.mol 000826103.PUBCHEM 000826103.mol (via Jmol)
000826104.b3lyp_6-31g(d).inp

000826104.b3lyp_6-31g(d).qchem.inp (generated)

000826104.b3lyp_6-31g(d).gjf (generated)

000826104.b3lyp_6-31g(d).firefly.inp (generated)

000826104.b3lyp_6-31g(d).smash.inp (generated)

000826104.b3lyp_6-31g(d).nwchem.inp (generated) 000826104.b3lyp_6-31g(d).log.xz 000826104.mol 000826104.PUBCHEM 000826104.mol (via Jmol)
000826105.b3lyp_6-31g(d).inp

000826105.b3lyp_6-31g(d).qchem.inp (generated)

000826105.b3lyp_6-31g(d).gjf (generated)

000826105.b3lyp_6-31g(d).firefly.inp (generated)

000826105.b3lyp_6-31g(d).smash.inp (generated)

000826105.b3lyp_6-31g(d).nwchem.inp (generated) 000826105.b3lyp_6-31g(d).log.xz 000826105.td-b3lyp_6-31g+(d).inp 000826105.td-b3lyp_6-31g+(d).log.xz

000826105.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826105.td-b3lyp_6-31+g(d).gjf (generated)

000826105.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826105.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826105.mol 000826105.PUBCHEM 000826105.mol (via Jmol)
000826113.b3lyp_6-31g(d).inp

000826113.b3lyp_6-31g(d).qchem.inp (generated)

000826113.b3lyp_6-31g(d).gjf (generated)

000826113.b3lyp_6-31g(d).firefly.inp (generated)

000826113.b3lyp_6-31g(d).smash.inp (generated)

000826113.b3lyp_6-31g(d).nwchem.inp (generated) 000826113.b3lyp_6-31g(d).log.xz 000826113.td-b3lyp_6-31g+(d).inp 000826113.td-b3lyp_6-31g+(d).log.xz

000826113.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826113.td-b3lyp_6-31+g(d).gjf (generated)

000826113.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826113.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826113.mol 000826113.PUBCHEM 000826113.mol (via Jmol)
000826118.b3lyp_6-31g(d).inp

000826118.b3lyp_6-31g(d).qchem.inp (generated)

000826118.b3lyp_6-31g(d).gjf (generated)

000826118.b3lyp_6-31g(d).firefly.inp (generated)

000826118.b3lyp_6-31g(d).smash.inp (generated)

000826118.b3lyp_6-31g(d).nwchem.inp (generated) 000826118.b3lyp_6-31g(d).log.xz 000826118.td-b3lyp_6-31g+(d).inp 000826118.td-b3lyp_6-31g+(d).log.xz

000826118.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826118.td-b3lyp_6-31+g(d).gjf (generated)

000826118.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826118.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826118.mol 000826118.PUBCHEM 000826118.mol (via Jmol)
000826119.b3lyp_6-31g(d).inp

000826119.b3lyp_6-31g(d).qchem.inp (generated)

000826119.b3lyp_6-31g(d).gjf (generated)

000826119.b3lyp_6-31g(d).firefly.inp (generated)

000826119.b3lyp_6-31g(d).smash.inp (generated)

000826119.b3lyp_6-31g(d).nwchem.inp (generated) 000826119.b3lyp_6-31g(d).log.xz 000826119.td-b3lyp_6-31g+(d).inp 000826119.td-b3lyp_6-31g+(d).log.xz

000826119.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826119.td-b3lyp_6-31+g(d).gjf (generated)

000826119.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826119.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826119.mol 000826119.PUBCHEM 000826119.mol (via Jmol)
000826124.b3lyp_6-31g(d).inp

000826124.b3lyp_6-31g(d).qchem.inp (generated)

000826124.b3lyp_6-31g(d).gjf (generated)

000826124.b3lyp_6-31g(d).firefly.inp (generated)

000826124.b3lyp_6-31g(d).smash.inp (generated)

000826124.b3lyp_6-31g(d).nwchem.inp (generated) 000826124.b3lyp_6-31g(d).log.xz 000826124.td-b3lyp_6-31g+(d).inp 000826124.td-b3lyp_6-31g+(d).log.xz

000826124.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826124.td-b3lyp_6-31+g(d).gjf (generated)

000826124.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826124.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826124.mol 000826124.PUBCHEM 000826124.mol (via Jmol)
000826126.b3lyp_6-31g(d).inp

000826126.b3lyp_6-31g(d).qchem.inp (generated)

000826126.b3lyp_6-31g(d).gjf (generated)

000826126.b3lyp_6-31g(d).firefly.inp (generated)

000826126.b3lyp_6-31g(d).smash.inp (generated)

000826126.b3lyp_6-31g(d).nwchem.inp (generated) 000826126.b3lyp_6-31g(d).log.xz 000826126.td-b3lyp_6-31g+(d).inp 000826126.td-b3lyp_6-31g+(d).log.xz

000826126.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826126.td-b3lyp_6-31+g(d).gjf (generated)

000826126.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826126.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826126.mol 000826126.PUBCHEM 000826126.mol (via Jmol)
000826128.b3lyp_6-31g(d).inp

000826128.b3lyp_6-31g(d).qchem.inp (generated)

000826128.b3lyp_6-31g(d).gjf (generated)

000826128.b3lyp_6-31g(d).firefly.inp (generated)

000826128.b3lyp_6-31g(d).smash.inp (generated)

000826128.b3lyp_6-31g(d).nwchem.inp (generated) 000826128.b3lyp_6-31g(d).log.xz 000826128.td-b3lyp_6-31g+(d).inp 000826128.td-b3lyp_6-31g+(d).log.xz

000826128.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826128.td-b3lyp_6-31+g(d).gjf (generated)

000826128.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826128.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826128.mol 000826128.PUBCHEM 000826128.mol (via Jmol)
000826133.b3lyp_6-31g(d).inp

000826133.b3lyp_6-31g(d).qchem.inp (generated)

000826133.b3lyp_6-31g(d).gjf (generated)

000826133.b3lyp_6-31g(d).firefly.inp (generated)

000826133.b3lyp_6-31g(d).smash.inp (generated)

000826133.b3lyp_6-31g(d).nwchem.inp (generated) 000826133.b3lyp_6-31g(d).log.xz 000826133.td-b3lyp_6-31g+(d).inp 000826133.td-b3lyp_6-31g+(d).log.xz

000826133.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826133.td-b3lyp_6-31+g(d).gjf (generated)

000826133.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826133.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826133.mol 000826133.PUBCHEM 000826133.mol (via Jmol)
000826134.b3lyp_6-31g(d).inp

000826134.b3lyp_6-31g(d).qchem.inp (generated)

000826134.b3lyp_6-31g(d).gjf (generated)

000826134.b3lyp_6-31g(d).firefly.inp (generated)

000826134.b3lyp_6-31g(d).smash.inp (generated)

000826134.b3lyp_6-31g(d).nwchem.inp (generated) 000826134.b3lyp_6-31g(d).log.xz 000826134.td-b3lyp_6-31g+(d).inp 000826134.td-b3lyp_6-31g+(d).log.xz

000826134.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826134.td-b3lyp_6-31+g(d).gjf (generated)

000826134.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826134.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826134.mol 000826134.PUBCHEM 000826134.mol (via Jmol)
000826136.b3lyp_6-31g(d).inp

000826136.b3lyp_6-31g(d).qchem.inp (generated)

000826136.b3lyp_6-31g(d).gjf (generated)

000826136.b3lyp_6-31g(d).firefly.inp (generated)

000826136.b3lyp_6-31g(d).smash.inp (generated)

000826136.b3lyp_6-31g(d).nwchem.inp (generated) 000826136.b3lyp_6-31g(d).log.xz 000826136.td-b3lyp_6-31g+(d).inp 000826136.td-b3lyp_6-31g+(d).log.xz

000826136.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826136.td-b3lyp_6-31+g(d).gjf (generated)

000826136.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826136.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826136.mol 000826136.PUBCHEM 000826136.mol (via Jmol)
000826145.b3lyp_6-31g(d).inp

000826145.b3lyp_6-31g(d).qchem.inp (generated)

000826145.b3lyp_6-31g(d).gjf (generated)

000826145.b3lyp_6-31g(d).firefly.inp (generated)

000826145.b3lyp_6-31g(d).smash.inp (generated)

000826145.b3lyp_6-31g(d).nwchem.inp (generated) 000826145.b3lyp_6-31g(d).log.xz 000826145.td-b3lyp_6-31g+(d).inp 000826145.td-b3lyp_6-31g+(d).log.xz

000826145.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826145.td-b3lyp_6-31+g(d).gjf (generated)

000826145.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826145.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826145.mol 000826145.PUBCHEM 000826145.mol (via Jmol)
000826156.b3lyp_6-31g(d).inp

000826156.b3lyp_6-31g(d).qchem.inp (generated)

000826156.b3lyp_6-31g(d).gjf (generated)

000826156.b3lyp_6-31g(d).firefly.inp (generated)

000826156.b3lyp_6-31g(d).smash.inp (generated)

000826156.b3lyp_6-31g(d).nwchem.inp (generated) 000826156.b3lyp_6-31g(d).log.xz 000826156.td-b3lyp_6-31g+(d).inp 000826156.td-b3lyp_6-31g+(d).log.xz

000826156.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826156.td-b3lyp_6-31+g(d).gjf (generated)

000826156.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826156.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826156.mol 000826156.PUBCHEM 000826156.mol (via Jmol)
000826158.b3lyp_6-31g(d).inp

000826158.b3lyp_6-31g(d).qchem.inp (generated)

000826158.b3lyp_6-31g(d).gjf (generated)

000826158.b3lyp_6-31g(d).firefly.inp (generated)

000826158.b3lyp_6-31g(d).smash.inp (generated)

000826158.b3lyp_6-31g(d).nwchem.inp (generated) 000826158.b3lyp_6-31g(d).log.xz 000826158.td-b3lyp_6-31g+(d).inp 000826158.td-b3lyp_6-31g+(d).log.xz

000826158.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826158.td-b3lyp_6-31+g(d).gjf (generated)

000826158.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826158.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826158.mol 000826158.PUBCHEM 000826158.mol (via Jmol)
000826160.b3lyp_6-31g(d).inp

000826160.b3lyp_6-31g(d).qchem.inp (generated)

000826160.b3lyp_6-31g(d).gjf (generated)

000826160.b3lyp_6-31g(d).firefly.inp (generated)

000826160.b3lyp_6-31g(d).smash.inp (generated)

000826160.b3lyp_6-31g(d).nwchem.inp (generated) 000826160.b3lyp_6-31g(d).log.xz 000826160.mol 000826160.PUBCHEM 000826160.mol (via Jmol)
000826163.b3lyp_6-31g(d).inp

000826163.b3lyp_6-31g(d).qchem.inp (generated)

000826163.b3lyp_6-31g(d).gjf (generated)

000826163.b3lyp_6-31g(d).firefly.inp (generated)

000826163.b3lyp_6-31g(d).smash.inp (generated)

000826163.b3lyp_6-31g(d).nwchem.inp (generated) 000826163.b3lyp_6-31g(d).log.xz 000826163.mol 000826163.PUBCHEM 000826163.mol (via Jmol)
000826174.b3lyp_6-31g(d).inp

000826174.b3lyp_6-31g(d).qchem.inp (generated)

000826174.b3lyp_6-31g(d).gjf (generated)

000826174.b3lyp_6-31g(d).firefly.inp (generated)

000826174.b3lyp_6-31g(d).smash.inp (generated)

000826174.b3lyp_6-31g(d).nwchem.inp (generated) 000826174.b3lyp_6-31g(d).log.xz 000826174.td-b3lyp_6-31g+(d).inp 000826174.td-b3lyp_6-31g+(d).log.xz

000826174.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826174.td-b3lyp_6-31+g(d).gjf (generated)

000826174.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826174.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826174.mol 000826174.PUBCHEM 000826174.mol (via Jmol)
000826175.b3lyp_6-31g(d).inp

000826175.b3lyp_6-31g(d).qchem.inp (generated)

000826175.b3lyp_6-31g(d).gjf (generated)

000826175.b3lyp_6-31g(d).firefly.inp (generated)

000826175.b3lyp_6-31g(d).smash.inp (generated)

000826175.b3lyp_6-31g(d).nwchem.inp (generated) 000826175.b3lyp_6-31g(d).log.xz 000826175.td-b3lyp_6-31g+(d).inp 000826175.td-b3lyp_6-31g+(d).log.xz

000826175.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826175.td-b3lyp_6-31+g(d).gjf (generated)

000826175.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826175.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826175.mol 000826175.PUBCHEM 000826175.mol (via Jmol)
000826176.b3lyp_6-31g(d).inp

000826176.b3lyp_6-31g(d).qchem.inp (generated)

000826176.b3lyp_6-31g(d).gjf (generated)

000826176.b3lyp_6-31g(d).firefly.inp (generated)

000826176.b3lyp_6-31g(d).smash.inp (generated)

000826176.b3lyp_6-31g(d).nwchem.inp (generated) 000826176.b3lyp_6-31g(d).log.xz 000826176.td-b3lyp_6-31g+(d).inp 000826176.td-b3lyp_6-31g+(d).log.xz

000826176.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826176.td-b3lyp_6-31+g(d).gjf (generated)

000826176.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826176.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826176.mol 000826176.PUBCHEM 000826176.mol (via Jmol)
000826177.b3lyp_6-31g(d).inp

000826177.b3lyp_6-31g(d).qchem.inp (generated)

000826177.b3lyp_6-31g(d).gjf (generated)

000826177.b3lyp_6-31g(d).firefly.inp (generated)

000826177.b3lyp_6-31g(d).smash.inp (generated)

000826177.b3lyp_6-31g(d).nwchem.inp (generated) 000826177.b3lyp_6-31g(d).log.xz 000826177.mol 000826177.PUBCHEM 000826177.mol (via Jmol)
000826183.b3lyp_6-31g(d).inp

000826183.b3lyp_6-31g(d).qchem.inp (generated)

000826183.b3lyp_6-31g(d).gjf (generated)

000826183.b3lyp_6-31g(d).firefly.inp (generated)

000826183.b3lyp_6-31g(d).smash.inp (generated)

000826183.b3lyp_6-31g(d).nwchem.inp (generated) 000826183.b3lyp_6-31g(d).log.xz 000826183.td-b3lyp_6-31g+(d).inp 000826183.td-b3lyp_6-31g+(d).log.xz

000826183.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826183.td-b3lyp_6-31+g(d).gjf (generated)

000826183.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826183.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826183.mol 000826183.PUBCHEM 000826183.mol (via Jmol)
000826185.b3lyp_6-31g(d).inp

000826185.b3lyp_6-31g(d).qchem.inp (generated)

000826185.b3lyp_6-31g(d).gjf (generated)

000826185.b3lyp_6-31g(d).firefly.inp (generated)

000826185.b3lyp_6-31g(d).smash.inp (generated)

000826185.b3lyp_6-31g(d).nwchem.inp (generated) 000826185.b3lyp_6-31g(d).log.xz 000826185.td-b3lyp_6-31g+(d).inp 000826185.td-b3lyp_6-31g+(d).log.xz

000826185.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826185.td-b3lyp_6-31+g(d).gjf (generated)

000826185.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826185.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826185.mol 000826185.PUBCHEM 000826185.mol (via Jmol)
000826187.b3lyp_6-31g(d).inp

000826187.b3lyp_6-31g(d).qchem.inp (generated)

000826187.b3lyp_6-31g(d).gjf (generated)

000826187.b3lyp_6-31g(d).firefly.inp (generated)

000826187.b3lyp_6-31g(d).smash.inp (generated)

000826187.b3lyp_6-31g(d).nwchem.inp (generated) 000826187.b3lyp_6-31g(d).log.xz 000826187.mol 000826187.PUBCHEM 000826187.mol (via Jmol)
000826194.b3lyp_6-31g(d).inp

000826194.b3lyp_6-31g(d).qchem.inp (generated)

000826194.b3lyp_6-31g(d).gjf (generated)

000826194.b3lyp_6-31g(d).firefly.inp (generated)

000826194.b3lyp_6-31g(d).smash.inp (generated)

000826194.b3lyp_6-31g(d).nwchem.inp (generated) 000826194.b3lyp_6-31g(d).log.xz 000826194.td-b3lyp_6-31g+(d).inp 000826194.td-b3lyp_6-31g+(d).log.xz

000826194.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826194.td-b3lyp_6-31+g(d).gjf (generated)

000826194.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826194.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826194.mol 000826194.PUBCHEM 000826194.mol (via Jmol)
000826195.b3lyp_6-31g(d).inp

000826195.b3lyp_6-31g(d).qchem.inp (generated)

000826195.b3lyp_6-31g(d).gjf (generated)

000826195.b3lyp_6-31g(d).firefly.inp (generated)

000826195.b3lyp_6-31g(d).smash.inp (generated)

000826195.b3lyp_6-31g(d).nwchem.inp (generated) 000826195.b3lyp_6-31g(d).log.xz 000826195.td-b3lyp_6-31g+(d).inp 000826195.td-b3lyp_6-31g+(d).log.xz

000826195.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826195.td-b3lyp_6-31+g(d).gjf (generated)

000826195.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826195.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826195.mol 000826195.PUBCHEM 000826195.mol (via Jmol)
000826196.b3lyp_6-31g(d).inp

000826196.b3lyp_6-31g(d).qchem.inp (generated)

000826196.b3lyp_6-31g(d).gjf (generated)

000826196.b3lyp_6-31g(d).firefly.inp (generated)

000826196.b3lyp_6-31g(d).smash.inp (generated)

000826196.b3lyp_6-31g(d).nwchem.inp (generated) 000826196.b3lyp_6-31g(d).log.xz 000826196.td-b3lyp_6-31g+(d).inp 000826196.td-b3lyp_6-31g+(d).log.xz

000826196.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826196.td-b3lyp_6-31+g(d).gjf (generated)

000826196.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826196.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826196.mol 000826196.PUBCHEM 000826196.mol (via Jmol)
000826201.b3lyp_6-31g(d).inp

000826201.b3lyp_6-31g(d).qchem.inp (generated)

000826201.b3lyp_6-31g(d).gjf (generated)

000826201.b3lyp_6-31g(d).firefly.inp (generated)

000826201.b3lyp_6-31g(d).smash.inp (generated)

000826201.b3lyp_6-31g(d).nwchem.inp (generated) 000826201.b3lyp_6-31g(d).log.xz 000826201.td-b3lyp_6-31g+(d).inp 000826201.td-b3lyp_6-31g+(d).log.xz

000826201.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826201.td-b3lyp_6-31+g(d).gjf (generated)

000826201.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826201.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826201.mol 000826201.PUBCHEM 000826201.mol (via Jmol)
000826202.b3lyp_6-31g(d).inp

000826202.b3lyp_6-31g(d).qchem.inp (generated)

000826202.b3lyp_6-31g(d).gjf (generated)

000826202.b3lyp_6-31g(d).firefly.inp (generated)

000826202.b3lyp_6-31g(d).smash.inp (generated)

000826202.b3lyp_6-31g(d).nwchem.inp (generated) 000826202.b3lyp_6-31g(d).log.xz 000826202.td-b3lyp_6-31g+(d).inp 000826202.td-b3lyp_6-31g+(d).log.xz

000826202.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826202.td-b3lyp_6-31+g(d).gjf (generated)

000826202.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826202.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826202.mol 000826202.PUBCHEM 000826202.mol (via Jmol)
000826204.b3lyp_6-31g(d).inp

000826204.b3lyp_6-31g(d).qchem.inp (generated)

000826204.b3lyp_6-31g(d).gjf (generated)

000826204.b3lyp_6-31g(d).firefly.inp (generated)

000826204.b3lyp_6-31g(d).smash.inp (generated)

000826204.b3lyp_6-31g(d).nwchem.inp (generated) 000826204.b3lyp_6-31g(d).log.xz 000826204.td-b3lyp_6-31g+(d).inp 000826204.td-b3lyp_6-31g+(d).log.xz

000826204.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826204.td-b3lyp_6-31+g(d).gjf (generated)

000826204.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826204.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826204.mol 000826204.PUBCHEM 000826204.mol (via Jmol)
000826213.b3lyp_6-31g(d).inp

000826213.b3lyp_6-31g(d).qchem.inp (generated)

000826213.b3lyp_6-31g(d).gjf (generated)

000826213.b3lyp_6-31g(d).firefly.inp (generated)

000826213.b3lyp_6-31g(d).smash.inp (generated)

000826213.b3lyp_6-31g(d).nwchem.inp (generated) 000826213.b3lyp_6-31g(d).log.xz 000826213.td-b3lyp_6-31g+(d).inp 000826213.td-b3lyp_6-31g+(d).log.xz

000826213.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826213.td-b3lyp_6-31+g(d).gjf (generated)

000826213.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826213.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826213.mol 000826213.PUBCHEM 000826213.mol (via Jmol)
000826214.b3lyp_6-31g(d).inp

000826214.b3lyp_6-31g(d).qchem.inp (generated)

000826214.b3lyp_6-31g(d).gjf (generated)

000826214.b3lyp_6-31g(d).firefly.inp (generated)

000826214.b3lyp_6-31g(d).smash.inp (generated)

000826214.b3lyp_6-31g(d).nwchem.inp (generated) 000826214.b3lyp_6-31g(d).log.xz 000826214.td-b3lyp_6-31g+(d).inp 000826214.td-b3lyp_6-31g+(d).log.xz

000826214.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826214.td-b3lyp_6-31+g(d).gjf (generated)

000826214.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826214.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826214.mol 000826214.PUBCHEM 000826214.mol (via Jmol)
000826215.b3lyp_6-31g(d).inp

000826215.b3lyp_6-31g(d).qchem.inp (generated)

000826215.b3lyp_6-31g(d).gjf (generated)

000826215.b3lyp_6-31g(d).firefly.inp (generated)

000826215.b3lyp_6-31g(d).smash.inp (generated)

000826215.b3lyp_6-31g(d).nwchem.inp (generated) 000826215.b3lyp_6-31g(d).log.xz 000826215.mol 000826215.PUBCHEM 000826215.mol (via Jmol)
000826216.b3lyp_6-31g(d).inp

000826216.b3lyp_6-31g(d).qchem.inp (generated)

000826216.b3lyp_6-31g(d).gjf (generated)

000826216.b3lyp_6-31g(d).firefly.inp (generated)

000826216.b3lyp_6-31g(d).smash.inp (generated)

000826216.b3lyp_6-31g(d).nwchem.inp (generated) 000826216.b3lyp_6-31g(d).log.xz 000826216.td-b3lyp_6-31g+(d).inp 000826216.td-b3lyp_6-31g+(d).log.xz

000826216.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826216.td-b3lyp_6-31+g(d).gjf (generated)

000826216.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826216.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826216.mol 000826216.PUBCHEM 000826216.mol (via Jmol)
000826218.b3lyp_6-31g(d).inp

000826218.b3lyp_6-31g(d).qchem.inp (generated)

000826218.b3lyp_6-31g(d).gjf (generated)

000826218.b3lyp_6-31g(d).firefly.inp (generated)

000826218.b3lyp_6-31g(d).smash.inp (generated)

000826218.b3lyp_6-31g(d).nwchem.inp (generated) 000826218.b3lyp_6-31g(d).log.xz 000826218.td-b3lyp_6-31g+(d).inp 000826218.td-b3lyp_6-31g+(d).log.xz

000826218.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826218.td-b3lyp_6-31+g(d).gjf (generated)

000826218.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826218.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826218.mol 000826218.PUBCHEM 000826218.mol (via Jmol)
000826226.b3lyp_6-31g(d).inp

000826226.b3lyp_6-31g(d).qchem.inp (generated)

000826226.b3lyp_6-31g(d).gjf (generated)

000826226.b3lyp_6-31g(d).firefly.inp (generated)

000826226.b3lyp_6-31g(d).smash.inp (generated)

000826226.b3lyp_6-31g(d).nwchem.inp (generated) 000826226.b3lyp_6-31g(d).log.xz 000826226.td-b3lyp_6-31g+(d).inp 000826226.td-b3lyp_6-31g+(d).log.xz

000826226.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826226.td-b3lyp_6-31+g(d).gjf (generated)

000826226.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826226.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826226.mol 000826226.PUBCHEM 000826226.mol (via Jmol)
000826229.b3lyp_6-31g(d).inp

000826229.b3lyp_6-31g(d).qchem.inp (generated)

000826229.b3lyp_6-31g(d).gjf (generated)

000826229.b3lyp_6-31g(d).firefly.inp (generated)

000826229.b3lyp_6-31g(d).smash.inp (generated)

000826229.b3lyp_6-31g(d).nwchem.inp (generated) 000826229.b3lyp_6-31g(d).log.xz 000826229.mol 000826229.PUBCHEM 000826229.mol (via Jmol)
000826230.b3lyp_6-31g(d).inp

000826230.b3lyp_6-31g(d).qchem.inp (generated)

000826230.b3lyp_6-31g(d).gjf (generated)

000826230.b3lyp_6-31g(d).firefly.inp (generated)

000826230.b3lyp_6-31g(d).smash.inp (generated)

000826230.b3lyp_6-31g(d).nwchem.inp (generated) 000826230.b3lyp_6-31g(d).log.xz 000826230.mol 000826230.PUBCHEM 000826230.mol (via Jmol)
000826247.b3lyp_6-31g(d).inp

000826247.b3lyp_6-31g(d).qchem.inp (generated)

000826247.b3lyp_6-31g(d).gjf (generated)

000826247.b3lyp_6-31g(d).firefly.inp (generated)

000826247.b3lyp_6-31g(d).smash.inp (generated)

000826247.b3lyp_6-31g(d).nwchem.inp (generated) 000826247.b3lyp_6-31g(d).log.xz 000826247.td-b3lyp_6-31g+(d).inp 000826247.td-b3lyp_6-31g+(d).log.xz

000826247.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826247.td-b3lyp_6-31+g(d).gjf (generated)

000826247.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826247.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826247.mol 000826247.PUBCHEM 000826247.mol (via Jmol)
000826251.b3lyp_6-31g(d).inp

000826251.b3lyp_6-31g(d).qchem.inp (generated)

000826251.b3lyp_6-31g(d).gjf (generated)

000826251.b3lyp_6-31g(d).firefly.inp (generated)

000826251.b3lyp_6-31g(d).smash.inp (generated)

000826251.b3lyp_6-31g(d).nwchem.inp (generated) 000826251.b3lyp_6-31g(d).log.xz 000826251.mol 000826251.PUBCHEM 000826251.mol (via Jmol)
000826252.b3lyp_6-31g(d).inp

000826252.b3lyp_6-31g(d).qchem.inp (generated)

000826252.b3lyp_6-31g(d).gjf (generated)

000826252.b3lyp_6-31g(d).firefly.inp (generated)

000826252.b3lyp_6-31g(d).smash.inp (generated)

000826252.b3lyp_6-31g(d).nwchem.inp (generated) 000826252.b3lyp_6-31g(d).log.xz 000826252.td-b3lyp_6-31g+(d).inp 000826252.td-b3lyp_6-31g+(d).log.xz

000826252.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826252.td-b3lyp_6-31+g(d).gjf (generated)

000826252.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826252.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826252.mol 000826252.PUBCHEM 000826252.mol (via Jmol)
000826254.b3lyp_6-31g(d).inp

000826254.b3lyp_6-31g(d).qchem.inp (generated)

000826254.b3lyp_6-31g(d).gjf (generated)

000826254.b3lyp_6-31g(d).firefly.inp (generated)

000826254.b3lyp_6-31g(d).smash.inp (generated)

000826254.b3lyp_6-31g(d).nwchem.inp (generated) 000826254.b3lyp_6-31g(d).log.xz 000826254.td-b3lyp_6-31g+(d).inp 000826254.td-b3lyp_6-31g+(d).log.xz

000826254.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826254.td-b3lyp_6-31+g(d).gjf (generated)

000826254.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826254.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826254.mol 000826254.PUBCHEM 000826254.mol (via Jmol)
000826256.b3lyp_6-31g(d).inp

000826256.b3lyp_6-31g(d).qchem.inp (generated)

000826256.b3lyp_6-31g(d).gjf (generated)

000826256.b3lyp_6-31g(d).firefly.inp (generated)

000826256.b3lyp_6-31g(d).smash.inp (generated)

000826256.b3lyp_6-31g(d).nwchem.inp (generated) 000826256.b3lyp_6-31g(d).log.xz 000826256.td-b3lyp_6-31g+(d).inp 000826256.td-b3lyp_6-31g+(d).log.xz

000826256.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826256.td-b3lyp_6-31+g(d).gjf (generated)

000826256.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826256.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826256.mol 000826256.PUBCHEM 000826256.mol (via Jmol)
000826258.b3lyp_6-31g(d).inp

000826258.b3lyp_6-31g(d).qchem.inp (generated)

000826258.b3lyp_6-31g(d).gjf (generated)

000826258.b3lyp_6-31g(d).firefly.inp (generated)

000826258.b3lyp_6-31g(d).smash.inp (generated)

000826258.b3lyp_6-31g(d).nwchem.inp (generated) 000826258.b3lyp_6-31g(d).log.xz 000826258.td-b3lyp_6-31g+(d).inp 000826258.td-b3lyp_6-31g+(d).log.xz

000826258.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826258.td-b3lyp_6-31+g(d).gjf (generated)

000826258.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826258.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826258.mol 000826258.PUBCHEM 000826258.mol (via Jmol)
000826259.b3lyp_6-31g(d).inp

000826259.b3lyp_6-31g(d).qchem.inp (generated)

000826259.b3lyp_6-31g(d).gjf (generated)

000826259.b3lyp_6-31g(d).firefly.inp (generated)

000826259.b3lyp_6-31g(d).smash.inp (generated)

000826259.b3lyp_6-31g(d).nwchem.inp (generated) 000826259.b3lyp_6-31g(d).log.xz 000826259.td-b3lyp_6-31g+(d).inp 000826259.td-b3lyp_6-31g+(d).log.xz

000826259.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826259.td-b3lyp_6-31+g(d).gjf (generated)

000826259.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826259.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826259.mol 000826259.PUBCHEM 000826259.mol (via Jmol)
000826261.b3lyp_6-31g(d).inp

000826261.b3lyp_6-31g(d).qchem.inp (generated)

000826261.b3lyp_6-31g(d).gjf (generated)

000826261.b3lyp_6-31g(d).firefly.inp (generated)

000826261.b3lyp_6-31g(d).smash.inp (generated)

000826261.b3lyp_6-31g(d).nwchem.inp (generated) 000826261.b3lyp_6-31g(d).log.xz 000826261.mol 000826261.PUBCHEM 000826261.mol (via Jmol)
000826265.b3lyp_6-31g(d).inp

000826265.b3lyp_6-31g(d).qchem.inp (generated)

000826265.b3lyp_6-31g(d).gjf (generated)

000826265.b3lyp_6-31g(d).firefly.inp (generated)

000826265.b3lyp_6-31g(d).smash.inp (generated)

000826265.b3lyp_6-31g(d).nwchem.inp (generated) 000826265.b3lyp_6-31g(d).log.xz 000826265.mol 000826265.PUBCHEM 000826265.mol (via Jmol)
000826266.b3lyp_6-31g(d).inp

000826266.b3lyp_6-31g(d).qchem.inp (generated)

000826266.b3lyp_6-31g(d).gjf (generated)

000826266.b3lyp_6-31g(d).firefly.inp (generated)

000826266.b3lyp_6-31g(d).smash.inp (generated)

000826266.b3lyp_6-31g(d).nwchem.inp (generated) 000826266.b3lyp_6-31g(d).log.xz 000826266.td-b3lyp_6-31g+(d).inp 000826266.td-b3lyp_6-31g+(d).log.xz

000826266.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826266.td-b3lyp_6-31+g(d).gjf (generated)

000826266.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826266.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826266.mol 000826266.PUBCHEM 000826266.mol (via Jmol)
000826268.b3lyp_6-31g(d).inp

000826268.b3lyp_6-31g(d).qchem.inp (generated)

000826268.b3lyp_6-31g(d).gjf (generated)

000826268.b3lyp_6-31g(d).firefly.inp (generated)

000826268.b3lyp_6-31g(d).smash.inp (generated)

000826268.b3lyp_6-31g(d).nwchem.inp (generated) 000826268.b3lyp_6-31g(d).log.xz 000826268.td-b3lyp_6-31g+(d).inp 000826268.td-b3lyp_6-31g+(d).log.xz

000826268.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826268.td-b3lyp_6-31+g(d).gjf (generated)

000826268.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826268.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826268.mol 000826268.PUBCHEM 000826268.mol (via Jmol)
000826269.b3lyp_6-31g(d).inp

000826269.b3lyp_6-31g(d).qchem.inp (generated)

000826269.b3lyp_6-31g(d).gjf (generated)

000826269.b3lyp_6-31g(d).firefly.inp (generated)

000826269.b3lyp_6-31g(d).smash.inp (generated)

000826269.b3lyp_6-31g(d).nwchem.inp (generated) 000826269.b3lyp_6-31g(d).log.xz 000826269.td-b3lyp_6-31g+(d).inp 000826269.td-b3lyp_6-31g+(d).log.xz

000826269.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826269.td-b3lyp_6-31+g(d).gjf (generated)

000826269.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826269.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826269.mol 000826269.PUBCHEM 000826269.mol (via Jmol)
000826271.b3lyp_6-31g(d).inp

000826271.b3lyp_6-31g(d).qchem.inp (generated)

000826271.b3lyp_6-31g(d).gjf (generated)

000826271.b3lyp_6-31g(d).firefly.inp (generated)

000826271.b3lyp_6-31g(d).smash.inp (generated)

000826271.b3lyp_6-31g(d).nwchem.inp (generated) 000826271.b3lyp_6-31g(d).log.xz 000826271.td-b3lyp_6-31g+(d).inp 000826271.td-b3lyp_6-31g+(d).log.xz

000826271.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826271.td-b3lyp_6-31+g(d).gjf (generated)

000826271.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826271.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826271.mol 000826271.PUBCHEM 000826271.mol (via Jmol)
000826273.b3lyp_6-31g(d).inp

000826273.b3lyp_6-31g(d).qchem.inp (generated)

000826273.b3lyp_6-31g(d).gjf (generated)

000826273.b3lyp_6-31g(d).firefly.inp (generated)

000826273.b3lyp_6-31g(d).smash.inp (generated)

000826273.b3lyp_6-31g(d).nwchem.inp (generated) 000826273.b3lyp_6-31g(d).log.xz 000826273.td-b3lyp_6-31g+(d).inp 000826273.td-b3lyp_6-31g+(d).log.xz

000826273.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826273.td-b3lyp_6-31+g(d).gjf (generated)

000826273.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826273.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826273.mol 000826273.PUBCHEM 000826273.mol (via Jmol)
000826274.b3lyp_6-31g(d).inp

000826274.b3lyp_6-31g(d).qchem.inp (generated)

000826274.b3lyp_6-31g(d).gjf (generated)

000826274.b3lyp_6-31g(d).firefly.inp (generated)

000826274.b3lyp_6-31g(d).smash.inp (generated)

000826274.b3lyp_6-31g(d).nwchem.inp (generated) 000826274.b3lyp_6-31g(d).log.xz 000826274.td-b3lyp_6-31g+(d).inp 000826274.td-b3lyp_6-31g+(d).log.xz

000826274.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826274.td-b3lyp_6-31+g(d).gjf (generated)

000826274.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826274.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826274.mol 000826274.PUBCHEM 000826274.mol (via Jmol)
000826275.b3lyp_6-31g(d).inp

000826275.b3lyp_6-31g(d).qchem.inp (generated)

000826275.b3lyp_6-31g(d).gjf (generated)

000826275.b3lyp_6-31g(d).firefly.inp (generated)

000826275.b3lyp_6-31g(d).smash.inp (generated)

000826275.b3lyp_6-31g(d).nwchem.inp (generated) 000826275.b3lyp_6-31g(d).log.xz 000826275.td-b3lyp_6-31g+(d).inp 000826275.td-b3lyp_6-31g+(d).log.xz

000826275.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826275.td-b3lyp_6-31+g(d).gjf (generated)

000826275.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826275.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826275.mol 000826275.PUBCHEM 000826275.mol (via Jmol)
000826276.b3lyp_6-31g(d).inp

000826276.b3lyp_6-31g(d).qchem.inp (generated)

000826276.b3lyp_6-31g(d).gjf (generated)

000826276.b3lyp_6-31g(d).firefly.inp (generated)

000826276.b3lyp_6-31g(d).smash.inp (generated)

000826276.b3lyp_6-31g(d).nwchem.inp (generated) 000826276.b3lyp_6-31g(d).log.xz 000826276.td-b3lyp_6-31g+(d).inp 000826276.td-b3lyp_6-31g+(d).log.xz

000826276.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826276.td-b3lyp_6-31+g(d).gjf (generated)

000826276.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826276.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826276.mol 000826276.PUBCHEM 000826276.mol (via Jmol)
000826278.b3lyp_6-31g(d).inp

000826278.b3lyp_6-31g(d).qchem.inp (generated)

000826278.b3lyp_6-31g(d).gjf (generated)

000826278.b3lyp_6-31g(d).firefly.inp (generated)

000826278.b3lyp_6-31g(d).smash.inp (generated)

000826278.b3lyp_6-31g(d).nwchem.inp (generated) 000826278.b3lyp_6-31g(d).log.xz 000826278.td-b3lyp_6-31g+(d).inp 000826278.td-b3lyp_6-31g+(d).log.xz

000826278.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826278.td-b3lyp_6-31+g(d).gjf (generated)

000826278.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826278.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826278.mol 000826278.PUBCHEM 000826278.mol (via Jmol)
000826279.b3lyp_6-31g(d).inp

000826279.b3lyp_6-31g(d).qchem.inp (generated)

000826279.b3lyp_6-31g(d).gjf (generated)

000826279.b3lyp_6-31g(d).firefly.inp (generated)

000826279.b3lyp_6-31g(d).smash.inp (generated)

000826279.b3lyp_6-31g(d).nwchem.inp (generated) 000826279.b3lyp_6-31g(d).log.xz 000826279.td-b3lyp_6-31g+(d).inp 000826279.td-b3lyp_6-31g+(d).log.xz

000826279.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826279.td-b3lyp_6-31+g(d).gjf (generated)

000826279.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826279.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826279.mol 000826279.PUBCHEM 000826279.mol (via Jmol)
000826282.b3lyp_6-31g(d).inp

000826282.b3lyp_6-31g(d).qchem.inp (generated)

000826282.b3lyp_6-31g(d).gjf (generated)

000826282.b3lyp_6-31g(d).firefly.inp (generated)

000826282.b3lyp_6-31g(d).smash.inp (generated)

000826282.b3lyp_6-31g(d).nwchem.inp (generated) 000826282.b3lyp_6-31g(d).log.xz 000826282.td-b3lyp_6-31g+(d).inp 000826282.td-b3lyp_6-31g+(d).log.xz

000826282.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826282.td-b3lyp_6-31+g(d).gjf (generated)

000826282.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826282.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826282.mol 000826282.PUBCHEM 000826282.mol (via Jmol)
000826283.b3lyp_6-31g(d).inp

000826283.b3lyp_6-31g(d).qchem.inp (generated)

000826283.b3lyp_6-31g(d).gjf (generated)

000826283.b3lyp_6-31g(d).firefly.inp (generated)

000826283.b3lyp_6-31g(d).smash.inp (generated)

000826283.b3lyp_6-31g(d).nwchem.inp (generated) 000826283.b3lyp_6-31g(d).log.xz 000826283.td-b3lyp_6-31g+(d).inp 000826283.td-b3lyp_6-31g+(d).log.xz

000826283.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826283.td-b3lyp_6-31+g(d).gjf (generated)

000826283.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826283.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826283.mol 000826283.PUBCHEM 000826283.mol (via Jmol)
000826285.b3lyp_6-31g(d).inp

000826285.b3lyp_6-31g(d).qchem.inp (generated)

000826285.b3lyp_6-31g(d).gjf (generated)

000826285.b3lyp_6-31g(d).firefly.inp (generated)

000826285.b3lyp_6-31g(d).smash.inp (generated)

000826285.b3lyp_6-31g(d).nwchem.inp (generated) 000826285.b3lyp_6-31g(d).log.xz 000826285.td-b3lyp_6-31g+(d).inp 000826285.td-b3lyp_6-31g+(d).log.xz

000826285.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826285.td-b3lyp_6-31+g(d).gjf (generated)

000826285.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826285.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826285.mol 000826285.PUBCHEM 000826285.mol (via Jmol)
000826288.b3lyp_6-31g(d).inp

000826288.b3lyp_6-31g(d).qchem.inp (generated)

000826288.b3lyp_6-31g(d).gjf (generated)

000826288.b3lyp_6-31g(d).firefly.inp (generated)

000826288.b3lyp_6-31g(d).smash.inp (generated)

000826288.b3lyp_6-31g(d).nwchem.inp (generated) 000826288.b3lyp_6-31g(d).log.xz 000826288.td-b3lyp_6-31g+(d).inp 000826288.td-b3lyp_6-31g+(d).log.xz

000826288.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826288.td-b3lyp_6-31+g(d).gjf (generated)

000826288.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826288.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826288.mol 000826288.PUBCHEM 000826288.mol (via Jmol)
000826304.b3lyp_6-31g(d).inp

000826304.b3lyp_6-31g(d).qchem.inp (generated)

000826304.b3lyp_6-31g(d).gjf (generated)

000826304.b3lyp_6-31g(d).firefly.inp (generated)

000826304.b3lyp_6-31g(d).smash.inp (generated)

000826304.b3lyp_6-31g(d).nwchem.inp (generated) 000826304.b3lyp_6-31g(d).log.xz 000826304.td-b3lyp_6-31g+(d).inp 000826304.td-b3lyp_6-31g+(d).log.xz

000826304.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826304.td-b3lyp_6-31+g(d).gjf (generated)

000826304.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826304.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826304.mol 000826304.PUBCHEM 000826304.mol (via Jmol)
000826311.b3lyp_6-31g(d).inp

000826311.b3lyp_6-31g(d).qchem.inp (generated)

000826311.b3lyp_6-31g(d).gjf (generated)

000826311.b3lyp_6-31g(d).firefly.inp (generated)

000826311.b3lyp_6-31g(d).smash.inp (generated)

000826311.b3lyp_6-31g(d).nwchem.inp (generated) 000826311.b3lyp_6-31g(d).log.xz 000826311.mol 000826311.PUBCHEM 000826311.mol (via Jmol)
000826312.b3lyp_6-31g(d).inp

000826312.b3lyp_6-31g(d).qchem.inp (generated)

000826312.b3lyp_6-31g(d).gjf (generated)

000826312.b3lyp_6-31g(d).firefly.inp (generated)

000826312.b3lyp_6-31g(d).smash.inp (generated)

000826312.b3lyp_6-31g(d).nwchem.inp (generated) 000826312.b3lyp_6-31g(d).log.xz 000826312.td-b3lyp_6-31g+(d).inp 000826312.td-b3lyp_6-31g+(d).log.xz

000826312.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826312.td-b3lyp_6-31+g(d).gjf (generated)

000826312.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826312.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826312.mol 000826312.PUBCHEM 000826312.mol (via Jmol)
000826316.b3lyp_6-31g(d).inp

000826316.b3lyp_6-31g(d).qchem.inp (generated)

000826316.b3lyp_6-31g(d).gjf (generated)

000826316.b3lyp_6-31g(d).firefly.inp (generated)

000826316.b3lyp_6-31g(d).smash.inp (generated)

000826316.b3lyp_6-31g(d).nwchem.inp (generated) 000826316.b3lyp_6-31g(d).log.xz 000826316.mol 000826316.PUBCHEM 000826316.mol (via Jmol)
000826319.b3lyp_6-31g(d).inp

000826319.b3lyp_6-31g(d).qchem.inp (generated)

000826319.b3lyp_6-31g(d).gjf (generated)

000826319.b3lyp_6-31g(d).firefly.inp (generated)

000826319.b3lyp_6-31g(d).smash.inp (generated)

000826319.b3lyp_6-31g(d).nwchem.inp (generated) 000826319.b3lyp_6-31g(d).log.xz 000826319.td-b3lyp_6-31g+(d).inp 000826319.td-b3lyp_6-31g+(d).log.xz

000826319.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826319.td-b3lyp_6-31+g(d).gjf (generated)

000826319.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826319.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826319.mol 000826319.PUBCHEM 000826319.mol (via Jmol)
000826324.b3lyp_6-31g(d).inp

000826324.b3lyp_6-31g(d).qchem.inp (generated)

000826324.b3lyp_6-31g(d).gjf (generated)

000826324.b3lyp_6-31g(d).firefly.inp (generated)

000826324.b3lyp_6-31g(d).smash.inp (generated)

000826324.b3lyp_6-31g(d).nwchem.inp (generated) 000826324.b3lyp_6-31g(d).log.xz 000826324.mol 000826324.PUBCHEM 000826324.mol (via Jmol)
000826329.b3lyp_6-31g(d).inp

000826329.b3lyp_6-31g(d).qchem.inp (generated)

000826329.b3lyp_6-31g(d).gjf (generated)

000826329.b3lyp_6-31g(d).firefly.inp (generated)

000826329.b3lyp_6-31g(d).smash.inp (generated)

000826329.b3lyp_6-31g(d).nwchem.inp (generated) 000826329.b3lyp_6-31g(d).log.xz 000826329.td-b3lyp_6-31g+(d).inp 000826329.td-b3lyp_6-31g+(d).log.xz

000826329.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826329.td-b3lyp_6-31+g(d).gjf (generated)

000826329.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826329.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826329.mol 000826329.PUBCHEM 000826329.mol (via Jmol)
000826333.b3lyp_6-31g(d).inp

000826333.b3lyp_6-31g(d).qchem.inp (generated)

000826333.b3lyp_6-31g(d).gjf (generated)

000826333.b3lyp_6-31g(d).firefly.inp (generated)

000826333.b3lyp_6-31g(d).smash.inp (generated)

000826333.b3lyp_6-31g(d).nwchem.inp (generated) 000826333.b3lyp_6-31g(d).log.xz 000826333.td-b3lyp_6-31g+(d).inp 000826333.td-b3lyp_6-31g+(d).log.xz

000826333.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826333.td-b3lyp_6-31+g(d).gjf (generated)

000826333.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826333.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826333.mol 000826333.PUBCHEM 000826333.mol (via Jmol)
000826334.b3lyp_6-31g(d).inp

000826334.b3lyp_6-31g(d).qchem.inp (generated)

000826334.b3lyp_6-31g(d).gjf (generated)

000826334.b3lyp_6-31g(d).firefly.inp (generated)

000826334.b3lyp_6-31g(d).smash.inp (generated)

000826334.b3lyp_6-31g(d).nwchem.inp (generated) 000826334.b3lyp_6-31g(d).log.xz 000826334.td-b3lyp_6-31g+(d).inp 000826334.td-b3lyp_6-31g+(d).log.xz

000826334.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826334.td-b3lyp_6-31+g(d).gjf (generated)

000826334.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826334.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826334.mol 000826334.PUBCHEM 000826334.mol (via Jmol)
000826347.b3lyp_6-31g(d).inp

000826347.b3lyp_6-31g(d).qchem.inp (generated)

000826347.b3lyp_6-31g(d).gjf (generated)

000826347.b3lyp_6-31g(d).firefly.inp (generated)

000826347.b3lyp_6-31g(d).smash.inp (generated)

000826347.b3lyp_6-31g(d).nwchem.inp (generated) 000826347.b3lyp_6-31g(d).log.xz 000826347.td-b3lyp_6-31g+(d).inp 000826347.td-b3lyp_6-31g+(d).log.xz

000826347.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826347.td-b3lyp_6-31+g(d).gjf (generated)

000826347.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826347.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826347.mol 000826347.PUBCHEM 000826347.mol (via Jmol)
000826353.b3lyp_6-31g(d).inp

000826353.b3lyp_6-31g(d).qchem.inp (generated)

000826353.b3lyp_6-31g(d).gjf (generated)

000826353.b3lyp_6-31g(d).firefly.inp (generated)

000826353.b3lyp_6-31g(d).smash.inp (generated)

000826353.b3lyp_6-31g(d).nwchem.inp (generated) 000826353.b3lyp_6-31g(d).log.xz 000826353.td-b3lyp_6-31g+(d).inp 000826353.td-b3lyp_6-31g+(d).log.xz

000826353.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826353.td-b3lyp_6-31+g(d).gjf (generated)

000826353.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826353.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826353.mol 000826353.PUBCHEM 000826353.mol (via Jmol)
000826366.b3lyp_6-31g(d).inp

000826366.b3lyp_6-31g(d).qchem.inp (generated)

000826366.b3lyp_6-31g(d).gjf (generated)

000826366.b3lyp_6-31g(d).firefly.inp (generated)

000826366.b3lyp_6-31g(d).smash.inp (generated)

000826366.b3lyp_6-31g(d).nwchem.inp (generated) 000826366.b3lyp_6-31g(d).log.xz 000826366.td-b3lyp_6-31g+(d).inp 000826366.td-b3lyp_6-31g+(d).log.xz

000826366.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826366.td-b3lyp_6-31+g(d).gjf (generated)

000826366.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826366.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826366.mol 000826366.PUBCHEM 000826366.mol (via Jmol)
000826378.b3lyp_6-31g(d).inp

000826378.b3lyp_6-31g(d).qchem.inp (generated)

000826378.b3lyp_6-31g(d).gjf (generated)

000826378.b3lyp_6-31g(d).firefly.inp (generated)

000826378.b3lyp_6-31g(d).smash.inp (generated)

000826378.b3lyp_6-31g(d).nwchem.inp (generated) 000826378.b3lyp_6-31g(d).log.xz 000826378.td-b3lyp_6-31g+(d).inp 000826378.td-b3lyp_6-31g+(d).log.xz

000826378.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826378.td-b3lyp_6-31+g(d).gjf (generated)

000826378.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826378.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826378.mol 000826378.PUBCHEM 000826378.mol (via Jmol)
000826392.b3lyp_6-31g(d).inp

000826392.b3lyp_6-31g(d).qchem.inp (generated)

000826392.b3lyp_6-31g(d).gjf (generated)

000826392.b3lyp_6-31g(d).firefly.inp (generated)

000826392.b3lyp_6-31g(d).smash.inp (generated)

000826392.b3lyp_6-31g(d).nwchem.inp (generated) 000826392.b3lyp_6-31g(d).log.xz 000826392.td-b3lyp_6-31g+(d).inp 000826392.td-b3lyp_6-31g+(d).log.xz

000826392.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826392.td-b3lyp_6-31+g(d).gjf (generated)

000826392.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826392.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826392.mol 000826392.PUBCHEM 000826392.mol (via Jmol)
000826419.b3lyp_6-31g(d).inp

000826419.b3lyp_6-31g(d).qchem.inp (generated)

000826419.b3lyp_6-31g(d).gjf (generated)

000826419.b3lyp_6-31g(d).firefly.inp (generated)

000826419.b3lyp_6-31g(d).smash.inp (generated)

000826419.b3lyp_6-31g(d).nwchem.inp (generated) 000826419.b3lyp_6-31g(d).log.xz 000826419.td-b3lyp_6-31g+(d).inp 000826419.td-b3lyp_6-31g+(d).log.xz

000826419.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826419.td-b3lyp_6-31+g(d).gjf (generated)

000826419.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826419.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826419.mol 000826419.PUBCHEM 000826419.mol (via Jmol)
000826430.b3lyp_6-31g(d).inp

000826430.b3lyp_6-31g(d).qchem.inp (generated)

000826430.b3lyp_6-31g(d).gjf (generated)

000826430.b3lyp_6-31g(d).firefly.inp (generated)

000826430.b3lyp_6-31g(d).smash.inp (generated)

000826430.b3lyp_6-31g(d).nwchem.inp (generated) 000826430.b3lyp_6-31g(d).log.xz 000826430.mol 000826430.PUBCHEM 000826430.mol (via Jmol)
000826432.b3lyp_6-31g(d).inp

000826432.b3lyp_6-31g(d).qchem.inp (generated)

000826432.b3lyp_6-31g(d).gjf (generated)

000826432.b3lyp_6-31g(d).firefly.inp (generated)

000826432.b3lyp_6-31g(d).smash.inp (generated)

000826432.b3lyp_6-31g(d).nwchem.inp (generated) 000826432.b3lyp_6-31g(d).log.xz 000826432.mol 000826432.PUBCHEM 000826432.mol (via Jmol)
000826435.b3lyp_6-31g(d).inp

000826435.b3lyp_6-31g(d).qchem.inp (generated)

000826435.b3lyp_6-31g(d).gjf (generated)

000826435.b3lyp_6-31g(d).firefly.inp (generated)

000826435.b3lyp_6-31g(d).smash.inp (generated)

000826435.b3lyp_6-31g(d).nwchem.inp (generated) 000826435.b3lyp_6-31g(d).log.xz 000826435.td-b3lyp_6-31g+(d).inp 000826435.td-b3lyp_6-31g+(d).log.xz

000826435.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826435.td-b3lyp_6-31+g(d).gjf (generated)

000826435.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826435.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826435.mol 000826435.PUBCHEM 000826435.mol (via Jmol)
000826440.b3lyp_6-31g(d).inp

000826440.b3lyp_6-31g(d).qchem.inp (generated)

000826440.b3lyp_6-31g(d).gjf (generated)

000826440.b3lyp_6-31g(d).firefly.inp (generated)

000826440.b3lyp_6-31g(d).smash.inp (generated)

000826440.b3lyp_6-31g(d).nwchem.inp (generated) 000826440.b3lyp_6-31g(d).log.xz 000826440.td-b3lyp_6-31g+(d).inp 000826440.td-b3lyp_6-31g+(d).log.xz

000826440.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826440.td-b3lyp_6-31+g(d).gjf (generated)

000826440.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826440.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826440.mol 000826440.PUBCHEM 000826440.mol (via Jmol)
000826447.b3lyp_6-31g(d).inp

000826447.b3lyp_6-31g(d).qchem.inp (generated)

000826447.b3lyp_6-31g(d).gjf (generated)

000826447.b3lyp_6-31g(d).firefly.inp (generated)

000826447.b3lyp_6-31g(d).smash.inp (generated)

000826447.b3lyp_6-31g(d).nwchem.inp (generated) 000826447.b3lyp_6-31g(d).log.xz 000826447.td-b3lyp_6-31g+(d).inp 000826447.td-b3lyp_6-31g+(d).log.xz

000826447.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826447.td-b3lyp_6-31+g(d).gjf (generated)

000826447.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826447.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826447.mol 000826447.PUBCHEM 000826447.mol (via Jmol)
000826449.b3lyp_6-31g(d).inp

000826449.b3lyp_6-31g(d).qchem.inp (generated)

000826449.b3lyp_6-31g(d).gjf (generated)

000826449.b3lyp_6-31g(d).firefly.inp (generated)

000826449.b3lyp_6-31g(d).smash.inp (generated)

000826449.b3lyp_6-31g(d).nwchem.inp (generated) 000826449.b3lyp_6-31g(d).log.xz 000826449.td-b3lyp_6-31g+(d).inp 000826449.td-b3lyp_6-31g+(d).log.xz

000826449.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826449.td-b3lyp_6-31+g(d).gjf (generated)

000826449.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826449.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826449.mol 000826449.PUBCHEM 000826449.mol (via Jmol)
000826452.b3lyp_6-31g(d).inp

000826452.b3lyp_6-31g(d).qchem.inp (generated)

000826452.b3lyp_6-31g(d).gjf (generated)

000826452.b3lyp_6-31g(d).firefly.inp (generated)

000826452.b3lyp_6-31g(d).smash.inp (generated)

000826452.b3lyp_6-31g(d).nwchem.inp (generated) 000826452.b3lyp_6-31g(d).log.xz 000826452.mol 000826452.PUBCHEM 000826452.mol (via Jmol)
000826456.b3lyp_6-31g(d).inp

000826456.b3lyp_6-31g(d).qchem.inp (generated)

000826456.b3lyp_6-31g(d).gjf (generated)

000826456.b3lyp_6-31g(d).firefly.inp (generated)

000826456.b3lyp_6-31g(d).smash.inp (generated)

000826456.b3lyp_6-31g(d).nwchem.inp (generated) 000826456.b3lyp_6-31g(d).log.xz 000826456.td-b3lyp_6-31g+(d).inp 000826456.td-b3lyp_6-31g+(d).log.xz

000826456.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826456.td-b3lyp_6-31+g(d).gjf (generated)

000826456.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826456.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826456.mol 000826456.PUBCHEM 000826456.mol (via Jmol)
000826466.b3lyp_6-31g(d).inp

000826466.b3lyp_6-31g(d).qchem.inp (generated)

000826466.b3lyp_6-31g(d).gjf (generated)

000826466.b3lyp_6-31g(d).firefly.inp (generated)

000826466.b3lyp_6-31g(d).smash.inp (generated)

000826466.b3lyp_6-31g(d).nwchem.inp (generated) 000826466.b3lyp_6-31g(d).log.xz 000826466.td-b3lyp_6-31g+(d).inp 000826466.td-b3lyp_6-31g+(d).log.xz

000826466.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826466.td-b3lyp_6-31+g(d).gjf (generated)

000826466.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826466.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826466.mol 000826466.PUBCHEM 000826466.mol (via Jmol)
000826467.b3lyp_6-31g(d).inp

000826467.b3lyp_6-31g(d).qchem.inp (generated)

000826467.b3lyp_6-31g(d).gjf (generated)

000826467.b3lyp_6-31g(d).firefly.inp (generated)

000826467.b3lyp_6-31g(d).smash.inp (generated)

000826467.b3lyp_6-31g(d).nwchem.inp (generated) 000826467.b3lyp_6-31g(d).log.xz 000826467.td-b3lyp_6-31g+(d).inp 000826467.td-b3lyp_6-31g+(d).log.xz

000826467.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826467.td-b3lyp_6-31+g(d).gjf (generated)

000826467.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826467.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826467.mol 000826467.PUBCHEM 000826467.mol (via Jmol)
000826468.b3lyp_6-31g(d).inp

000826468.b3lyp_6-31g(d).qchem.inp (generated)

000826468.b3lyp_6-31g(d).gjf (generated)

000826468.b3lyp_6-31g(d).firefly.inp (generated)

000826468.b3lyp_6-31g(d).smash.inp (generated)

000826468.b3lyp_6-31g(d).nwchem.inp (generated) 000826468.b3lyp_6-31g(d).log.xz 000826468.td-b3lyp_6-31g+(d).inp 000826468.td-b3lyp_6-31g+(d).log.xz

000826468.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826468.td-b3lyp_6-31+g(d).gjf (generated)

000826468.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826468.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826468.mol 000826468.PUBCHEM 000826468.mol (via Jmol)
000826470.b3lyp_6-31g(d).inp

000826470.b3lyp_6-31g(d).qchem.inp (generated)

000826470.b3lyp_6-31g(d).gjf (generated)

000826470.b3lyp_6-31g(d).firefly.inp (generated)

000826470.b3lyp_6-31g(d).smash.inp (generated)

000826470.b3lyp_6-31g(d).nwchem.inp (generated) 000826470.b3lyp_6-31g(d).log.xz 000826470.td-b3lyp_6-31g+(d).inp 000826470.td-b3lyp_6-31g+(d).log.xz

000826470.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826470.td-b3lyp_6-31+g(d).gjf (generated)

000826470.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826470.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826470.mol 000826470.PUBCHEM 000826470.mol (via Jmol)
000826473.b3lyp_6-31g(d).inp

000826473.b3lyp_6-31g(d).qchem.inp (generated)

000826473.b3lyp_6-31g(d).gjf (generated)

000826473.b3lyp_6-31g(d).firefly.inp (generated)

000826473.b3lyp_6-31g(d).smash.inp (generated)

000826473.b3lyp_6-31g(d).nwchem.inp (generated) 000826473.b3lyp_6-31g(d).log.xz 000826473.td-b3lyp_6-31g+(d).inp 000826473.td-b3lyp_6-31g+(d).log.xz

000826473.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826473.td-b3lyp_6-31+g(d).gjf (generated)

000826473.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826473.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826473.mol 000826473.PUBCHEM 000826473.mol (via Jmol)
000826476.b3lyp_6-31g(d).inp

000826476.b3lyp_6-31g(d).qchem.inp (generated)

000826476.b3lyp_6-31g(d).gjf (generated)

000826476.b3lyp_6-31g(d).firefly.inp (generated)

000826476.b3lyp_6-31g(d).smash.inp (generated)

000826476.b3lyp_6-31g(d).nwchem.inp (generated) 000826476.b3lyp_6-31g(d).log.xz 000826476.td-b3lyp_6-31g+(d).inp 000826476.td-b3lyp_6-31g+(d).log.xz

000826476.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826476.td-b3lyp_6-31+g(d).gjf (generated)

000826476.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826476.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826476.mol 000826476.PUBCHEM 000826476.mol (via Jmol)
000826479.b3lyp_6-31g(d).inp

000826479.b3lyp_6-31g(d).qchem.inp (generated)

000826479.b3lyp_6-31g(d).gjf (generated)

000826479.b3lyp_6-31g(d).firefly.inp (generated)

000826479.b3lyp_6-31g(d).smash.inp (generated)

000826479.b3lyp_6-31g(d).nwchem.inp (generated) 000826479.b3lyp_6-31g(d).log.xz 000826479.td-b3lyp_6-31g+(d).inp 000826479.td-b3lyp_6-31g+(d).log.xz

000826479.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826479.td-b3lyp_6-31+g(d).gjf (generated)

000826479.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826479.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826479.mol 000826479.PUBCHEM 000826479.mol (via Jmol)
000826484.b3lyp_6-31g(d).inp

000826484.b3lyp_6-31g(d).qchem.inp (generated)

000826484.b3lyp_6-31g(d).gjf (generated)

000826484.b3lyp_6-31g(d).firefly.inp (generated)

000826484.b3lyp_6-31g(d).smash.inp (generated)

000826484.b3lyp_6-31g(d).nwchem.inp (generated) 000826484.b3lyp_6-31g(d).log.xz 000826484.td-b3lyp_6-31g+(d).inp 000826484.td-b3lyp_6-31g+(d).log.xz

000826484.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826484.td-b3lyp_6-31+g(d).gjf (generated)

000826484.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826484.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826484.mol 000826484.PUBCHEM 000826484.mol (via Jmol)
000826488.b3lyp_6-31g(d).inp

000826488.b3lyp_6-31g(d).qchem.inp (generated)

000826488.b3lyp_6-31g(d).gjf (generated)

000826488.b3lyp_6-31g(d).firefly.inp (generated)

000826488.b3lyp_6-31g(d).smash.inp (generated)

000826488.b3lyp_6-31g(d).nwchem.inp (generated) 000826488.b3lyp_6-31g(d).log.xz 000826488.td-b3lyp_6-31g+(d).inp 000826488.td-b3lyp_6-31g+(d).log.xz

000826488.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826488.td-b3lyp_6-31+g(d).gjf (generated)

000826488.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826488.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826488.mol 000826488.PUBCHEM 000826488.mol (via Jmol)
000826502.b3lyp_6-31g(d).inp

000826502.b3lyp_6-31g(d).qchem.inp (generated)

000826502.b3lyp_6-31g(d).gjf (generated)

000826502.b3lyp_6-31g(d).firefly.inp (generated)

000826502.b3lyp_6-31g(d).smash.inp (generated)

000826502.b3lyp_6-31g(d).nwchem.inp (generated) 000826502.b3lyp_6-31g(d).log.xz 000826502.mol 000826502.PUBCHEM 000826502.mol (via Jmol)
000826525.b3lyp_6-31g(d).inp

000826525.b3lyp_6-31g(d).qchem.inp (generated)

000826525.b3lyp_6-31g(d).gjf (generated)

000826525.b3lyp_6-31g(d).firefly.inp (generated)

000826525.b3lyp_6-31g(d).smash.inp (generated)

000826525.b3lyp_6-31g(d).nwchem.inp (generated) 000826525.b3lyp_6-31g(d).log.xz 000826525.td-b3lyp_6-31g+(d).inp 000826525.td-b3lyp_6-31g+(d).log.xz

000826525.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826525.td-b3lyp_6-31+g(d).gjf (generated)

000826525.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826525.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826525.mol 000826525.PUBCHEM 000826525.mol (via Jmol)
000826553.b3lyp_6-31g(d).inp

000826553.b3lyp_6-31g(d).qchem.inp (generated)

000826553.b3lyp_6-31g(d).gjf (generated)

000826553.b3lyp_6-31g(d).firefly.inp (generated)

000826553.b3lyp_6-31g(d).smash.inp (generated)

000826553.b3lyp_6-31g(d).nwchem.inp (generated) 000826553.b3lyp_6-31g(d).log.xz 000826553.mol 000826553.PUBCHEM 000826553.mol (via Jmol)
000826558.b3lyp_6-31g(d).inp

000826558.b3lyp_6-31g(d).qchem.inp (generated)

000826558.b3lyp_6-31g(d).gjf (generated)

000826558.b3lyp_6-31g(d).firefly.inp (generated)

000826558.b3lyp_6-31g(d).smash.inp (generated)

000826558.b3lyp_6-31g(d).nwchem.inp (generated) 000826558.b3lyp_6-31g(d).log.xz 000826558.mol 000826558.PUBCHEM 000826558.mol (via Jmol)
000826564.b3lyp_6-31g(d).inp

000826564.b3lyp_6-31g(d).qchem.inp (generated)

000826564.b3lyp_6-31g(d).gjf (generated)

000826564.b3lyp_6-31g(d).firefly.inp (generated)

000826564.b3lyp_6-31g(d).smash.inp (generated)

000826564.b3lyp_6-31g(d).nwchem.inp (generated) 000826564.b3lyp_6-31g(d).log.xz 000826564.td-b3lyp_6-31g+(d).inp 000826564.td-b3lyp_6-31g+(d).log.xz

000826564.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826564.td-b3lyp_6-31+g(d).gjf (generated)

000826564.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826564.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826564.mol 000826564.PUBCHEM 000826564.mol (via Jmol)
000826599.b3lyp_6-31g(d).inp

000826599.b3lyp_6-31g(d).qchem.inp (generated)

000826599.b3lyp_6-31g(d).gjf (generated)

000826599.b3lyp_6-31g(d).firefly.inp (generated)

000826599.b3lyp_6-31g(d).smash.inp (generated)

000826599.b3lyp_6-31g(d).nwchem.inp (generated) 000826599.b3lyp_6-31g(d).log.xz 000826599.mol 000826599.PUBCHEM 000826599.mol (via Jmol)
000826664.b3lyp_6-31g(d).inp

000826664.b3lyp_6-31g(d).qchem.inp (generated)

000826664.b3lyp_6-31g(d).gjf (generated)

000826664.b3lyp_6-31g(d).firefly.inp (generated)

000826664.b3lyp_6-31g(d).smash.inp (generated)

000826664.b3lyp_6-31g(d).nwchem.inp (generated) 000826664.b3lyp_6-31g(d).log.xz 000826664.mol 000826664.PUBCHEM 000826664.mol (via Jmol)
000826670.b3lyp_6-31g(d).inp

000826670.b3lyp_6-31g(d).qchem.inp (generated)

000826670.b3lyp_6-31g(d).gjf (generated)

000826670.b3lyp_6-31g(d).firefly.inp (generated)

000826670.b3lyp_6-31g(d).smash.inp (generated)

000826670.b3lyp_6-31g(d).nwchem.inp (generated) 000826670.b3lyp_6-31g(d).log.xz 000826670.mol 000826670.PUBCHEM 000826670.mol (via Jmol)
000826671.b3lyp_6-31g(d).inp

000826671.b3lyp_6-31g(d).qchem.inp (generated)

000826671.b3lyp_6-31g(d).gjf (generated)

000826671.b3lyp_6-31g(d).firefly.inp (generated)

000826671.b3lyp_6-31g(d).smash.inp (generated)

000826671.b3lyp_6-31g(d).nwchem.inp (generated) 000826671.b3lyp_6-31g(d).log.xz 000826671.td-b3lyp_6-31g+(d).inp 000826671.td-b3lyp_6-31g+(d).log.xz

000826671.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826671.td-b3lyp_6-31+g(d).gjf (generated)

000826671.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826671.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826671.mol 000826671.PUBCHEM 000826671.mol (via Jmol)
000826672.b3lyp_6-31g(d).inp

000826672.b3lyp_6-31g(d).qchem.inp (generated)

000826672.b3lyp_6-31g(d).gjf (generated)

000826672.b3lyp_6-31g(d).firefly.inp (generated)

000826672.b3lyp_6-31g(d).smash.inp (generated)

000826672.b3lyp_6-31g(d).nwchem.inp (generated) 000826672.b3lyp_6-31g(d).log.xz 000826672.td-b3lyp_6-31g+(d).inp 000826672.td-b3lyp_6-31g+(d).log.xz

000826672.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826672.td-b3lyp_6-31+g(d).gjf (generated)

000826672.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826672.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826672.mol 000826672.PUBCHEM 000826672.mol (via Jmol)
000826682.b3lyp_6-31g(d).inp

000826682.b3lyp_6-31g(d).qchem.inp (generated)

000826682.b3lyp_6-31g(d).gjf (generated)

000826682.b3lyp_6-31g(d).firefly.inp (generated)

000826682.b3lyp_6-31g(d).smash.inp (generated)

000826682.b3lyp_6-31g(d).nwchem.inp (generated) 000826682.b3lyp_6-31g(d).log.xz 000826682.td-b3lyp_6-31g+(d).inp 000826682.td-b3lyp_6-31g+(d).log.xz

000826682.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826682.td-b3lyp_6-31+g(d).gjf (generated)

000826682.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826682.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826682.mol 000826682.PUBCHEM 000826682.mol (via Jmol)
000826684.b3lyp_6-31g(d).inp

000826684.b3lyp_6-31g(d).qchem.inp (generated)

000826684.b3lyp_6-31g(d).gjf (generated)

000826684.b3lyp_6-31g(d).firefly.inp (generated)

000826684.b3lyp_6-31g(d).smash.inp (generated)

000826684.b3lyp_6-31g(d).nwchem.inp (generated) 000826684.b3lyp_6-31g(d).log.xz 000826684.td-b3lyp_6-31g+(d).inp 000826684.td-b3lyp_6-31g+(d).log.xz

000826684.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826684.td-b3lyp_6-31+g(d).gjf (generated)

000826684.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826684.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826684.mol 000826684.PUBCHEM 000826684.mol (via Jmol)
000826685.b3lyp_6-31g(d).inp

000826685.b3lyp_6-31g(d).qchem.inp (generated)

000826685.b3lyp_6-31g(d).gjf (generated)

000826685.b3lyp_6-31g(d).firefly.inp (generated)

000826685.b3lyp_6-31g(d).smash.inp (generated)

000826685.b3lyp_6-31g(d).nwchem.inp (generated) 000826685.b3lyp_6-31g(d).log.xz 000826685.td-b3lyp_6-31g+(d).inp 000826685.td-b3lyp_6-31g+(d).log.xz

000826685.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826685.td-b3lyp_6-31+g(d).gjf (generated)

000826685.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826685.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826685.mol 000826685.PUBCHEM 000826685.mol (via Jmol)
000826693.b3lyp_6-31g(d).inp

000826693.b3lyp_6-31g(d).qchem.inp (generated)

000826693.b3lyp_6-31g(d).gjf (generated)

000826693.b3lyp_6-31g(d).firefly.inp (generated)

000826693.b3lyp_6-31g(d).smash.inp (generated)

000826693.b3lyp_6-31g(d).nwchem.inp (generated) 000826693.b3lyp_6-31g(d).log.xz 000826693.td-b3lyp_6-31g+(d).inp 000826693.td-b3lyp_6-31g+(d).log.xz

000826693.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826693.td-b3lyp_6-31+g(d).gjf (generated)

000826693.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826693.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826693.mol 000826693.PUBCHEM 000826693.mol (via Jmol)
000826694.b3lyp_6-31g(d).inp

000826694.b3lyp_6-31g(d).qchem.inp (generated)

000826694.b3lyp_6-31g(d).gjf (generated)

000826694.b3lyp_6-31g(d).firefly.inp (generated)

000826694.b3lyp_6-31g(d).smash.inp (generated)

000826694.b3lyp_6-31g(d).nwchem.inp (generated) 000826694.b3lyp_6-31g(d).log.xz 000826694.td-b3lyp_6-31g+(d).inp 000826694.td-b3lyp_6-31g+(d).log.xz

000826694.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826694.td-b3lyp_6-31+g(d).gjf (generated)

000826694.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826694.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826694.mol 000826694.PUBCHEM 000826694.mol (via Jmol)
000826704.b3lyp_6-31g(d).inp

000826704.b3lyp_6-31g(d).qchem.inp (generated)

000826704.b3lyp_6-31g(d).gjf (generated)

000826704.b3lyp_6-31g(d).firefly.inp (generated)

000826704.b3lyp_6-31g(d).smash.inp (generated)

000826704.b3lyp_6-31g(d).nwchem.inp (generated) 000826704.b3lyp_6-31g(d).log.xz 000826704.td-b3lyp_6-31g+(d).inp 000826704.td-b3lyp_6-31g+(d).log.xz

000826704.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826704.td-b3lyp_6-31+g(d).gjf (generated)

000826704.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826704.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826704.mol 000826704.PUBCHEM 000826704.mol (via Jmol)
000826707.b3lyp_6-31g(d).inp

000826707.b3lyp_6-31g(d).qchem.inp (generated)

000826707.b3lyp_6-31g(d).gjf (generated)

000826707.b3lyp_6-31g(d).firefly.inp (generated)

000826707.b3lyp_6-31g(d).smash.inp (generated)

000826707.b3lyp_6-31g(d).nwchem.inp (generated) 000826707.b3lyp_6-31g(d).log.xz 000826707.td-b3lyp_6-31g+(d).inp 000826707.td-b3lyp_6-31g+(d).log.xz

000826707.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826707.td-b3lyp_6-31+g(d).gjf (generated)

000826707.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826707.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826707.mol 000826707.PUBCHEM 000826707.mol (via Jmol)
000826710.b3lyp_6-31g(d).inp

000826710.b3lyp_6-31g(d).qchem.inp (generated)

000826710.b3lyp_6-31g(d).gjf (generated)

000826710.b3lyp_6-31g(d).firefly.inp (generated)

000826710.b3lyp_6-31g(d).smash.inp (generated)

000826710.b3lyp_6-31g(d).nwchem.inp (generated) 000826710.b3lyp_6-31g(d).log.xz 000826710.td-b3lyp_6-31g+(d).inp 000826710.td-b3lyp_6-31g+(d).log.xz

000826710.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826710.td-b3lyp_6-31+g(d).gjf (generated)

000826710.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826710.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826710.mol 000826710.PUBCHEM 000826710.mol (via Jmol)
000826717.b3lyp_6-31g(d).inp

000826717.b3lyp_6-31g(d).qchem.inp (generated)

000826717.b3lyp_6-31g(d).gjf (generated)

000826717.b3lyp_6-31g(d).firefly.inp (generated)

000826717.b3lyp_6-31g(d).smash.inp (generated)

000826717.b3lyp_6-31g(d).nwchem.inp (generated) 000826717.b3lyp_6-31g(d).log.xz 000826717.td-b3lyp_6-31g+(d).inp 000826717.td-b3lyp_6-31g+(d).log.xz

000826717.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826717.td-b3lyp_6-31+g(d).gjf (generated)

000826717.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826717.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826717.mol 000826717.PUBCHEM 000826717.mol (via Jmol)
000826734.b3lyp_6-31g(d).inp

000826734.b3lyp_6-31g(d).qchem.inp (generated)

000826734.b3lyp_6-31g(d).gjf (generated)

000826734.b3lyp_6-31g(d).firefly.inp (generated)

000826734.b3lyp_6-31g(d).smash.inp (generated)

000826734.b3lyp_6-31g(d).nwchem.inp (generated) 000826734.b3lyp_6-31g(d).log.xz 000826734.td-b3lyp_6-31g+(d).inp 000826734.td-b3lyp_6-31g+(d).log.xz

000826734.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826734.td-b3lyp_6-31+g(d).gjf (generated)

000826734.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826734.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826734.mol 000826734.PUBCHEM 000826734.mol (via Jmol)
000826735.b3lyp_6-31g(d).inp

000826735.b3lyp_6-31g(d).qchem.inp (generated)

000826735.b3lyp_6-31g(d).gjf (generated)

000826735.b3lyp_6-31g(d).firefly.inp (generated)

000826735.b3lyp_6-31g(d).smash.inp (generated)

000826735.b3lyp_6-31g(d).nwchem.inp (generated) 000826735.b3lyp_6-31g(d).log.xz 000826735.td-b3lyp_6-31g+(d).inp 000826735.td-b3lyp_6-31g+(d).log.xz

000826735.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826735.td-b3lyp_6-31+g(d).gjf (generated)

000826735.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826735.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826735.mol 000826735.PUBCHEM 000826735.mol (via Jmol)
000826749.b3lyp_6-31g(d).inp

000826749.b3lyp_6-31g(d).qchem.inp (generated)

000826749.b3lyp_6-31g(d).gjf (generated)

000826749.b3lyp_6-31g(d).firefly.inp (generated)

000826749.b3lyp_6-31g(d).smash.inp (generated)

000826749.b3lyp_6-31g(d).nwchem.inp (generated) 000826749.b3lyp_6-31g(d).log.xz 000826749.td-b3lyp_6-31g+(d).inp 000826749.td-b3lyp_6-31g+(d).log.xz

000826749.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826749.td-b3lyp_6-31+g(d).gjf (generated)

000826749.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826749.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826749.mol 000826749.PUBCHEM 000826749.mol (via Jmol)
000826750.b3lyp_6-31g(d).inp

000826750.b3lyp_6-31g(d).qchem.inp (generated)

000826750.b3lyp_6-31g(d).gjf (generated)

000826750.b3lyp_6-31g(d).firefly.inp (generated)

000826750.b3lyp_6-31g(d).smash.inp (generated)

000826750.b3lyp_6-31g(d).nwchem.inp (generated) 000826750.b3lyp_6-31g(d).log.xz 000826750.td-b3lyp_6-31g+(d).inp 000826750.td-b3lyp_6-31g+(d).log.xz

000826750.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826750.td-b3lyp_6-31+g(d).gjf (generated)

000826750.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826750.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826750.mol 000826750.PUBCHEM 000826750.mol (via Jmol)
000826763.b3lyp_6-31g(d).inp

000826763.b3lyp_6-31g(d).qchem.inp (generated)

000826763.b3lyp_6-31g(d).gjf (generated)

000826763.b3lyp_6-31g(d).firefly.inp (generated)

000826763.b3lyp_6-31g(d).smash.inp (generated)

000826763.b3lyp_6-31g(d).nwchem.inp (generated) 000826763.b3lyp_6-31g(d).log.xz 000826763.td-b3lyp_6-31g+(d).inp 000826763.td-b3lyp_6-31g+(d).log.xz

000826763.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826763.td-b3lyp_6-31+g(d).gjf (generated)

000826763.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826763.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826763.mol 000826763.PUBCHEM 000826763.mol (via Jmol)
000826765.b3lyp_6-31g(d).inp

000826765.b3lyp_6-31g(d).qchem.inp (generated)

000826765.b3lyp_6-31g(d).gjf (generated)

000826765.b3lyp_6-31g(d).firefly.inp (generated)

000826765.b3lyp_6-31g(d).smash.inp (generated)

000826765.b3lyp_6-31g(d).nwchem.inp (generated) 000826765.b3lyp_6-31g(d).log.xz 000826765.mol 000826765.PUBCHEM 000826765.mol (via Jmol)
000826790.b3lyp_6-31g(d).inp

000826790.b3lyp_6-31g(d).qchem.inp (generated)

000826790.b3lyp_6-31g(d).gjf (generated)

000826790.b3lyp_6-31g(d).firefly.inp (generated)

000826790.b3lyp_6-31g(d).smash.inp (generated)

000826790.b3lyp_6-31g(d).nwchem.inp (generated) 000826790.b3lyp_6-31g(d).log.xz 000826790.mol 000826790.PUBCHEM 000826790.mol (via Jmol)
000826795.b3lyp_6-31g(d).inp

000826795.b3lyp_6-31g(d).qchem.inp (generated)

000826795.b3lyp_6-31g(d).gjf (generated)

000826795.b3lyp_6-31g(d).firefly.inp (generated)

000826795.b3lyp_6-31g(d).smash.inp (generated)

000826795.b3lyp_6-31g(d).nwchem.inp (generated) 000826795.b3lyp_6-31g(d).log.xz 000826795.td-b3lyp_6-31g+(d).inp 000826795.td-b3lyp_6-31g+(d).log.xz

000826795.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826795.td-b3lyp_6-31+g(d).gjf (generated)

000826795.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826795.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826795.mol 000826795.PUBCHEM 000826795.mol (via Jmol)
000826800.b3lyp_6-31g(d).inp

000826800.b3lyp_6-31g(d).qchem.inp (generated)

000826800.b3lyp_6-31g(d).gjf (generated)

000826800.b3lyp_6-31g(d).firefly.inp (generated)

000826800.b3lyp_6-31g(d).smash.inp (generated)

000826800.b3lyp_6-31g(d).nwchem.inp (generated) 000826800.b3lyp_6-31g(d).log.xz 000826800.td-b3lyp_6-31g+(d).inp 000826800.td-b3lyp_6-31g+(d).log.xz

000826800.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826800.td-b3lyp_6-31+g(d).gjf (generated)

000826800.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826800.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826800.mol 000826800.PUBCHEM 000826800.mol (via Jmol)
000826801.b3lyp_6-31g(d).inp

000826801.b3lyp_6-31g(d).qchem.inp (generated)

000826801.b3lyp_6-31g(d).gjf (generated)

000826801.b3lyp_6-31g(d).firefly.inp (generated)

000826801.b3lyp_6-31g(d).smash.inp (generated)

000826801.b3lyp_6-31g(d).nwchem.inp (generated) 000826801.b3lyp_6-31g(d).log.xz 000826801.mol 000826801.PUBCHEM 000826801.mol (via Jmol)
000826810.b3lyp_6-31g(d).inp

000826810.b3lyp_6-31g(d).qchem.inp (generated)

000826810.b3lyp_6-31g(d).gjf (generated)

000826810.b3lyp_6-31g(d).firefly.inp (generated)

000826810.b3lyp_6-31g(d).smash.inp (generated)

000826810.b3lyp_6-31g(d).nwchem.inp (generated) 000826810.b3lyp_6-31g(d).log.xz 000826810.mol 000826810.PUBCHEM 000826810.mol (via Jmol)
000826839.b3lyp_6-31g(d).inp

000826839.b3lyp_6-31g(d).qchem.inp (generated)

000826839.b3lyp_6-31g(d).gjf (generated)

000826839.b3lyp_6-31g(d).firefly.inp (generated)

000826839.b3lyp_6-31g(d).smash.inp (generated)

000826839.b3lyp_6-31g(d).nwchem.inp (generated) 000826839.b3lyp_6-31g(d).log.xz 000826839.mol 000826839.PUBCHEM 000826839.mol (via Jmol)
000826844.b3lyp_6-31g(d).inp

000826844.b3lyp_6-31g(d).qchem.inp (generated)

000826844.b3lyp_6-31g(d).gjf (generated)

000826844.b3lyp_6-31g(d).firefly.inp (generated)

000826844.b3lyp_6-31g(d).smash.inp (generated)

000826844.b3lyp_6-31g(d).nwchem.inp (generated) 000826844.b3lyp_6-31g(d).log.xz 000826844.td-b3lyp_6-31g+(d).inp 000826844.td-b3lyp_6-31g+(d).log.xz

000826844.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826844.td-b3lyp_6-31+g(d).gjf (generated)

000826844.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826844.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826844.mol 000826844.PUBCHEM 000826844.mol (via Jmol)
000826850.b3lyp_6-31g(d).inp

000826850.b3lyp_6-31g(d).qchem.inp (generated)

000826850.b3lyp_6-31g(d).gjf (generated)

000826850.b3lyp_6-31g(d).firefly.inp (generated)

000826850.b3lyp_6-31g(d).smash.inp (generated)

000826850.b3lyp_6-31g(d).nwchem.inp (generated) 000826850.b3lyp_6-31g(d).log.xz 000826850.td-b3lyp_6-31g+(d).inp 000826850.td-b3lyp_6-31g+(d).log.xz

000826850.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826850.td-b3lyp_6-31+g(d).gjf (generated)

000826850.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826850.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826850.mol 000826850.PUBCHEM 000826850.mol (via Jmol)
000826851.b3lyp_6-31g(d).inp

000826851.b3lyp_6-31g(d).qchem.inp (generated)

000826851.b3lyp_6-31g(d).gjf (generated)

000826851.b3lyp_6-31g(d).firefly.inp (generated)

000826851.b3lyp_6-31g(d).smash.inp (generated)

000826851.b3lyp_6-31g(d).nwchem.inp (generated) 000826851.b3lyp_6-31g(d).log.xz 000826851.td-b3lyp_6-31g+(d).inp 000826851.td-b3lyp_6-31g+(d).log.xz

000826851.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826851.td-b3lyp_6-31+g(d).gjf (generated)

000826851.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826851.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826851.mol 000826851.PUBCHEM 000826851.mol (via Jmol)
000826860.b3lyp_6-31g(d).inp

000826860.b3lyp_6-31g(d).qchem.inp (generated)

000826860.b3lyp_6-31g(d).gjf (generated)

000826860.b3lyp_6-31g(d).firefly.inp (generated)

000826860.b3lyp_6-31g(d).smash.inp (generated)

000826860.b3lyp_6-31g(d).nwchem.inp (generated) 000826860.b3lyp_6-31g(d).log.xz 000826860.td-b3lyp_6-31g+(d).inp 000826860.td-b3lyp_6-31g+(d).log.xz

000826860.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826860.td-b3lyp_6-31+g(d).gjf (generated)

000826860.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826860.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826860.mol 000826860.PUBCHEM 000826860.mol (via Jmol)
000826861.b3lyp_6-31g(d).inp

000826861.b3lyp_6-31g(d).qchem.inp (generated)

000826861.b3lyp_6-31g(d).gjf (generated)

000826861.b3lyp_6-31g(d).firefly.inp (generated)

000826861.b3lyp_6-31g(d).smash.inp (generated)

000826861.b3lyp_6-31g(d).nwchem.inp (generated) 000826861.b3lyp_6-31g(d).log.xz 000826861.td-b3lyp_6-31g+(d).inp 000826861.td-b3lyp_6-31g+(d).log.xz

000826861.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826861.td-b3lyp_6-31+g(d).gjf (generated)

000826861.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826861.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826861.mol 000826861.PUBCHEM 000826861.mol (via Jmol)
000826863.b3lyp_6-31g(d).inp

000826863.b3lyp_6-31g(d).qchem.inp (generated)

000826863.b3lyp_6-31g(d).gjf (generated)

000826863.b3lyp_6-31g(d).firefly.inp (generated)

000826863.b3lyp_6-31g(d).smash.inp (generated)

000826863.b3lyp_6-31g(d).nwchem.inp (generated) 000826863.b3lyp_6-31g(d).log.xz 000826863.mol 000826863.PUBCHEM 000826863.mol (via Jmol)
000826864.b3lyp_6-31g(d).inp

000826864.b3lyp_6-31g(d).qchem.inp (generated)

000826864.b3lyp_6-31g(d).gjf (generated)

000826864.b3lyp_6-31g(d).firefly.inp (generated)

000826864.b3lyp_6-31g(d).smash.inp (generated)

000826864.b3lyp_6-31g(d).nwchem.inp (generated) 000826864.b3lyp_6-31g(d).log.xz 000826864.mol 000826864.PUBCHEM 000826864.mol (via Jmol)
000826865.b3lyp_6-31g(d).inp

000826865.b3lyp_6-31g(d).qchem.inp (generated)

000826865.b3lyp_6-31g(d).gjf (generated)

000826865.b3lyp_6-31g(d).firefly.inp (generated)

000826865.b3lyp_6-31g(d).smash.inp (generated)

000826865.b3lyp_6-31g(d).nwchem.inp (generated) 000826865.b3lyp_6-31g(d).log.xz 000826865.mol 000826865.PUBCHEM 000826865.mol (via Jmol)
000826866.b3lyp_6-31g(d).inp

000826866.b3lyp_6-31g(d).qchem.inp (generated)

000826866.b3lyp_6-31g(d).gjf (generated)

000826866.b3lyp_6-31g(d).firefly.inp (generated)

000826866.b3lyp_6-31g(d).smash.inp (generated)

000826866.b3lyp_6-31g(d).nwchem.inp (generated) 000826866.b3lyp_6-31g(d).log.xz 000826866.mol 000826866.PUBCHEM 000826866.mol (via Jmol)
000826870.b3lyp_6-31g(d).inp

000826870.b3lyp_6-31g(d).qchem.inp (generated)

000826870.b3lyp_6-31g(d).gjf (generated)

000826870.b3lyp_6-31g(d).firefly.inp (generated)

000826870.b3lyp_6-31g(d).smash.inp (generated)

000826870.b3lyp_6-31g(d).nwchem.inp (generated) 000826870.b3lyp_6-31g(d).log.xz 000826870.td-b3lyp_6-31g+(d).inp 000826870.td-b3lyp_6-31g+(d).log.xz

000826870.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826870.td-b3lyp_6-31+g(d).gjf (generated)

000826870.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826870.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826870.mol 000826870.PUBCHEM 000826870.mol (via Jmol)
000826879.b3lyp_6-31g(d).inp

000826879.b3lyp_6-31g(d).qchem.inp (generated)

000826879.b3lyp_6-31g(d).gjf (generated)

000826879.b3lyp_6-31g(d).firefly.inp (generated)

000826879.b3lyp_6-31g(d).smash.inp (generated)

000826879.b3lyp_6-31g(d).nwchem.inp (generated) 000826879.b3lyp_6-31g(d).log.xz 000826879.mol 000826879.PUBCHEM 000826879.mol (via Jmol)
000826880.b3lyp_6-31g(d).inp

000826880.b3lyp_6-31g(d).qchem.inp (generated)

000826880.b3lyp_6-31g(d).gjf (generated)

000826880.b3lyp_6-31g(d).firefly.inp (generated)

000826880.b3lyp_6-31g(d).smash.inp (generated)

000826880.b3lyp_6-31g(d).nwchem.inp (generated) 000826880.b3lyp_6-31g(d).log.xz 000826880.td-b3lyp_6-31g+(d).inp 000826880.td-b3lyp_6-31g+(d).log.xz

000826880.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826880.td-b3lyp_6-31+g(d).gjf (generated)

000826880.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826880.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826880.mol 000826880.PUBCHEM 000826880.mol (via Jmol)
000826918.b3lyp_6-31g(d).inp

000826918.b3lyp_6-31g(d).qchem.inp (generated)

000826918.b3lyp_6-31g(d).gjf (generated)

000826918.b3lyp_6-31g(d).firefly.inp (generated)

000826918.b3lyp_6-31g(d).smash.inp (generated)

000826918.b3lyp_6-31g(d).nwchem.inp (generated) 000826918.b3lyp_6-31g(d).log.xz 000826918.td-b3lyp_6-31g+(d).inp 000826918.td-b3lyp_6-31g+(d).log.xz

000826918.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826918.td-b3lyp_6-31+g(d).gjf (generated)

000826918.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826918.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826918.mol 000826918.PUBCHEM 000826918.mol (via Jmol)
000826923.b3lyp_6-31g(d).inp

000826923.b3lyp_6-31g(d).qchem.inp (generated)

000826923.b3lyp_6-31g(d).gjf (generated)

000826923.b3lyp_6-31g(d).firefly.inp (generated)

000826923.b3lyp_6-31g(d).smash.inp (generated)

000826923.b3lyp_6-31g(d).nwchem.inp (generated) 000826923.b3lyp_6-31g(d).log.xz 000826923.td-b3lyp_6-31g+(d).inp 000826923.td-b3lyp_6-31g+(d).log.xz

000826923.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826923.td-b3lyp_6-31+g(d).gjf (generated)

000826923.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826923.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826923.mol 000826923.PUBCHEM 000826923.mol (via Jmol)
000826928.b3lyp_6-31g(d).inp

000826928.b3lyp_6-31g(d).qchem.inp (generated)

000826928.b3lyp_6-31g(d).gjf (generated)

000826928.b3lyp_6-31g(d).firefly.inp (generated)

000826928.b3lyp_6-31g(d).smash.inp (generated)

000826928.b3lyp_6-31g(d).nwchem.inp (generated) 000826928.b3lyp_6-31g(d).log.xz 000826928.td-b3lyp_6-31g+(d).inp 000826928.td-b3lyp_6-31g+(d).log.xz

000826928.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826928.td-b3lyp_6-31+g(d).gjf (generated)

000826928.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826928.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826928.mol 000826928.PUBCHEM 000826928.mol (via Jmol)
000826935.b3lyp_6-31g(d).inp

000826935.b3lyp_6-31g(d).qchem.inp (generated)

000826935.b3lyp_6-31g(d).gjf (generated)

000826935.b3lyp_6-31g(d).firefly.inp (generated)

000826935.b3lyp_6-31g(d).smash.inp (generated)

000826935.b3lyp_6-31g(d).nwchem.inp (generated) 000826935.b3lyp_6-31g(d).log.xz 000826935.td-b3lyp_6-31g+(d).inp 000826935.td-b3lyp_6-31g+(d).log.xz

000826935.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826935.td-b3lyp_6-31+g(d).gjf (generated)

000826935.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826935.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826935.mol 000826935.PUBCHEM 000826935.mol (via Jmol)
000826952.b3lyp_6-31g(d).inp

000826952.b3lyp_6-31g(d).qchem.inp (generated)

000826952.b3lyp_6-31g(d).gjf (generated)

000826952.b3lyp_6-31g(d).firefly.inp (generated)

000826952.b3lyp_6-31g(d).smash.inp (generated)

000826952.b3lyp_6-31g(d).nwchem.inp (generated) 000826952.b3lyp_6-31g(d).log.xz 000826952.mol 000826952.PUBCHEM 000826952.mol (via Jmol)
000826953.b3lyp_6-31g(d).inp

000826953.b3lyp_6-31g(d).qchem.inp (generated)

000826953.b3lyp_6-31g(d).gjf (generated)

000826953.b3lyp_6-31g(d).firefly.inp (generated)

000826953.b3lyp_6-31g(d).smash.inp (generated)

000826953.b3lyp_6-31g(d).nwchem.inp (generated) 000826953.b3lyp_6-31g(d).log.xz 000826953.td-b3lyp_6-31g+(d).inp 000826953.td-b3lyp_6-31g+(d).log.xz

000826953.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826953.td-b3lyp_6-31+g(d).gjf (generated)

000826953.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826953.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826953.mol 000826953.PUBCHEM 000826953.mol (via Jmol)
000826955.b3lyp_6-31g(d).inp

000826955.b3lyp_6-31g(d).qchem.inp (generated)

000826955.b3lyp_6-31g(d).gjf (generated)

000826955.b3lyp_6-31g(d).firefly.inp (generated)

000826955.b3lyp_6-31g(d).smash.inp (generated)

000826955.b3lyp_6-31g(d).nwchem.inp (generated) 000826955.b3lyp_6-31g(d).log.xz 000826955.td-b3lyp_6-31g+(d).inp 000826955.td-b3lyp_6-31g+(d).log.xz

000826955.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826955.td-b3lyp_6-31+g(d).gjf (generated)

000826955.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826955.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826955.mol 000826955.PUBCHEM 000826955.mol (via Jmol)
000826961.b3lyp_6-31g(d).inp

000826961.b3lyp_6-31g(d).qchem.inp (generated)

000826961.b3lyp_6-31g(d).gjf (generated)

000826961.b3lyp_6-31g(d).firefly.inp (generated)

000826961.b3lyp_6-31g(d).smash.inp (generated)

000826961.b3lyp_6-31g(d).nwchem.inp (generated) 000826961.b3lyp_6-31g(d).log.xz 000826961.td-b3lyp_6-31g+(d).inp 000826961.td-b3lyp_6-31g+(d).log.xz

000826961.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826961.td-b3lyp_6-31+g(d).gjf (generated)

000826961.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826961.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826961.mol 000826961.PUBCHEM 000826961.mol (via Jmol)
000826971.b3lyp_6-31g(d).inp

000826971.b3lyp_6-31g(d).qchem.inp (generated)

000826971.b3lyp_6-31g(d).gjf (generated)

000826971.b3lyp_6-31g(d).firefly.inp (generated)

000826971.b3lyp_6-31g(d).smash.inp (generated)

000826971.b3lyp_6-31g(d).nwchem.inp (generated) 000826971.b3lyp_6-31g(d).log.xz 000826971.td-b3lyp_6-31g+(d).inp 000826971.td-b3lyp_6-31g+(d).log.xz

000826971.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826971.td-b3lyp_6-31+g(d).gjf (generated)

000826971.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826971.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826971.mol 000826971.PUBCHEM 000826971.mol (via Jmol)
000826974.b3lyp_6-31g(d).inp

000826974.b3lyp_6-31g(d).qchem.inp (generated)

000826974.b3lyp_6-31g(d).gjf (generated)

000826974.b3lyp_6-31g(d).firefly.inp (generated)

000826974.b3lyp_6-31g(d).smash.inp (generated)

000826974.b3lyp_6-31g(d).nwchem.inp (generated) 000826974.b3lyp_6-31g(d).log.xz 000826974.td-b3lyp_6-31g+(d).inp 000826974.td-b3lyp_6-31g+(d).log.xz

000826974.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826974.td-b3lyp_6-31+g(d).gjf (generated)

000826974.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826974.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826974.mol 000826974.PUBCHEM 000826974.mol (via Jmol)
000826981.b3lyp_6-31g(d).inp

000826981.b3lyp_6-31g(d).qchem.inp (generated)

000826981.b3lyp_6-31g(d).gjf (generated)

000826981.b3lyp_6-31g(d).firefly.inp (generated)

000826981.b3lyp_6-31g(d).smash.inp (generated)

000826981.b3lyp_6-31g(d).nwchem.inp (generated) 000826981.b3lyp_6-31g(d).log.xz 000826981.td-b3lyp_6-31g+(d).inp 000826981.td-b3lyp_6-31g+(d).log.xz

000826981.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826981.td-b3lyp_6-31+g(d).gjf (generated)

000826981.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826981.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826981.mol 000826981.PUBCHEM 000826981.mol (via Jmol)
000826983.b3lyp_6-31g(d).inp

000826983.b3lyp_6-31g(d).qchem.inp (generated)

000826983.b3lyp_6-31g(d).gjf (generated)

000826983.b3lyp_6-31g(d).firefly.inp (generated)

000826983.b3lyp_6-31g(d).smash.inp (generated)

000826983.b3lyp_6-31g(d).nwchem.inp (generated) 000826983.b3lyp_6-31g(d).log.xz 000826983.mol 000826983.PUBCHEM 000826983.mol (via Jmol)
000826986.b3lyp_6-31g(d).inp

000826986.b3lyp_6-31g(d).qchem.inp (generated)

000826986.b3lyp_6-31g(d).gjf (generated)

000826986.b3lyp_6-31g(d).firefly.inp (generated)

000826986.b3lyp_6-31g(d).smash.inp (generated)

000826986.b3lyp_6-31g(d).nwchem.inp (generated) 000826986.b3lyp_6-31g(d).log.xz 000826986.td-b3lyp_6-31g+(d).inp 000826986.td-b3lyp_6-31g+(d).log.xz

000826986.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826986.td-b3lyp_6-31+g(d).gjf (generated)

000826986.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826986.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826986.mol 000826986.PUBCHEM 000826986.mol (via Jmol)
000826989.b3lyp_6-31g(d).inp

000826989.b3lyp_6-31g(d).qchem.inp (generated)

000826989.b3lyp_6-31g(d).gjf (generated)

000826989.b3lyp_6-31g(d).firefly.inp (generated)

000826989.b3lyp_6-31g(d).smash.inp (generated)

000826989.b3lyp_6-31g(d).nwchem.inp (generated) 000826989.b3lyp_6-31g(d).log.xz 000826989.td-b3lyp_6-31g+(d).inp 000826989.td-b3lyp_6-31g+(d).log.xz

000826989.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826989.td-b3lyp_6-31+g(d).gjf (generated)

000826989.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826989.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826989.mol 000826989.PUBCHEM 000826989.mol (via Jmol)
000826996.b3lyp_6-31g(d).inp

000826996.b3lyp_6-31g(d).qchem.inp (generated)

000826996.b3lyp_6-31g(d).gjf (generated)

000826996.b3lyp_6-31g(d).firefly.inp (generated)

000826996.b3lyp_6-31g(d).smash.inp (generated)

000826996.b3lyp_6-31g(d).nwchem.inp (generated) 000826996.b3lyp_6-31g(d).log.xz 000826996.td-b3lyp_6-31g+(d).inp 000826996.td-b3lyp_6-31g+(d).log.xz

000826996.td-b3lyp_6-31+g(d).qchem.inp (generated)

000826996.td-b3lyp_6-31+g(d).gjf (generated)

000826996.td-b3lyp_6-31+g(d).firefly.inp (generated)

000826996.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000826996.mol 000826996.PUBCHEM 000826996.mol (via Jmol)
000827004.b3lyp_6-31g(d).inp

000827004.b3lyp_6-31g(d).qchem.inp (generated)

000827004.b3lyp_6-31g(d).gjf (generated)

000827004.b3lyp_6-31g(d).firefly.inp (generated)

000827004.b3lyp_6-31g(d).smash.inp (generated)

000827004.b3lyp_6-31g(d).nwchem.inp (generated) 000827004.b3lyp_6-31g(d).log.xz 000827004.td-b3lyp_6-31g+(d).inp 000827004.td-b3lyp_6-31g+(d).log.xz

000827004.td-b3lyp_6-31+g(d).qchem.inp (generated)

000827004.td-b3lyp_6-31+g(d).gjf (generated)

000827004.td-b3lyp_6-31+g(d).firefly.inp (generated)

000827004.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000827004.mol 000827004.PUBCHEM 000827004.mol (via Jmol)
000827007.b3lyp_6-31g(d).inp

000827007.b3lyp_6-31g(d).qchem.inp (generated)

000827007.b3lyp_6-31g(d).gjf (generated)

000827007.b3lyp_6-31g(d).firefly.inp (generated)

000827007.b3lyp_6-31g(d).smash.inp (generated)

000827007.b3lyp_6-31g(d).nwchem.inp (generated) 000827007.b3lyp_6-31g(d).log.xz 000827007.td-b3lyp_6-31g+(d).inp 000827007.td-b3lyp_6-31g+(d).log.xz

000827007.td-b3lyp_6-31+g(d).qchem.inp (generated)

000827007.td-b3lyp_6-31+g(d).gjf (generated)

000827007.td-b3lyp_6-31+g(d).firefly.inp (generated)

000827007.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000827007.mol 000827007.PUBCHEM 000827007.mol (via Jmol)
000827015.b3lyp_6-31g(d).inp

000827015.b3lyp_6-31g(d).qchem.inp (generated)

000827015.b3lyp_6-31g(d).gjf (generated)

000827015.b3lyp_6-31g(d).firefly.inp (generated)

000827015.b3lyp_6-31g(d).smash.inp (generated)

000827015.b3lyp_6-31g(d).nwchem.inp (generated) 000827015.b3lyp_6-31g(d).log.xz 000827015.td-b3lyp_6-31g+(d).inp 000827015.td-b3lyp_6-31g+(d).log.xz

000827015.td-b3lyp_6-31+g(d).qchem.inp (generated)

000827015.td-b3lyp_6-31+g(d).gjf (generated)

000827015.td-b3lyp_6-31+g(d).firefly.inp (generated)

000827015.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000827015.mol 000827015.PUBCHEM 000827015.mol (via Jmol)
000827016.b3lyp_6-31g(d).inp

000827016.b3lyp_6-31g(d).qchem.inp (generated)

000827016.b3lyp_6-31g(d).gjf (generated)

000827016.b3lyp_6-31g(d).firefly.inp (generated)

000827016.b3lyp_6-31g(d).smash.inp (generated)

000827016.b3lyp_6-31g(d).nwchem.inp (generated) 000827016.b3lyp_6-31g(d).log.xz 000827016.td-b3lyp_6-31g+(d).inp 000827016.td-b3lyp_6-31g+(d).log.xz

000827016.td-b3lyp_6-31+g(d).qchem.inp (generated)

000827016.td-b3lyp_6-31+g(d).gjf (generated)

000827016.td-b3lyp_6-31+g(d).firefly.inp (generated)

000827016.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000827016.mol 000827016.PUBCHEM 000827016.mol (via Jmol)
000827018.b3lyp_6-31g(d).inp

000827018.b3lyp_6-31g(d).qchem.inp (generated)

000827018.b3lyp_6-31g(d).gjf (generated)

000827018.b3lyp_6-31g(d).firefly.inp (generated)

000827018.b3lyp_6-31g(d).smash.inp (generated)

000827018.b3lyp_6-31g(d).nwchem.inp (generated) 000827018.b3lyp_6-31g(d).log.xz 000827018.mol 000827018.PUBCHEM 000827018.mol (via Jmol)
000827019.b3lyp_6-31g(d).inp

000827019.b3lyp_6-31g(d).qchem.inp (generated)

000827019.b3lyp_6-31g(d).gjf (generated)

000827019.b3lyp_6-31g(d).firefly.inp (generated)

000827019.b3lyp_6-31g(d).smash.inp (generated)

000827019.b3lyp_6-31g(d).nwchem.inp (generated) 000827019.b3lyp_6-31g(d).log.xz 000827019.td-b3lyp_6-31g+(d).inp 000827019.td-b3lyp_6-31g+(d).log.xz

000827019.td-b3lyp_6-31+g(d).qchem.inp (generated)

000827019.td-b3lyp_6-31+g(d).gjf (generated)

000827019.td-b3lyp_6-31+g(d).firefly.inp (generated)

000827019.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000827019.mol 000827019.PUBCHEM 000827019.mol (via Jmol)
000827028.b3lyp_6-31g(d).inp

000827028.b3lyp_6-31g(d).qchem.inp (generated)

000827028.b3lyp_6-31g(d).gjf (generated)

000827028.b3lyp_6-31g(d).firefly.inp (generated)

000827028.b3lyp_6-31g(d).smash.inp (generated)

000827028.b3lyp_6-31g(d).nwchem.inp (generated) 000827028.b3lyp_6-31g(d).log.xz 000827028.td-b3lyp_6-31g+(d).inp 000827028.td-b3lyp_6-31g+(d).log.xz

000827028.td-b3lyp_6-31+g(d).qchem.inp (generated)

000827028.td-b3lyp_6-31+g(d).gjf (generated)

000827028.td-b3lyp_6-31+g(d).firefly.inp (generated)

000827028.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000827028.mol 000827028.PUBCHEM 000827028.mol (via Jmol)
000827032.b3lyp_6-31g(d).inp

000827032.b3lyp_6-31g(d).qchem.inp (generated)

000827032.b3lyp_6-31g(d).gjf (generated)

000827032.b3lyp_6-31g(d).firefly.inp (generated)

000827032.b3lyp_6-31g(d).smash.inp (generated)

000827032.b3lyp_6-31g(d).nwchem.inp (generated) 000827032.b3lyp_6-31g(d).log.xz 000827032.td-b3lyp_6-31g+(d).inp 000827032.td-b3lyp_6-31g+(d).log.xz

000827032.td-b3lyp_6-31+g(d).qchem.inp (generated)

000827032.td-b3lyp_6-31+g(d).gjf (generated)

000827032.td-b3lyp_6-31+g(d).firefly.inp (generated)

000827032.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000827032.mol 000827032.PUBCHEM 000827032.mol (via Jmol)
000827071.b3lyp_6-31g(d).inp

000827071.b3lyp_6-31g(d).qchem.inp (generated)

000827071.b3lyp_6-31g(d).gjf (generated)

000827071.b3lyp_6-31g(d).firefly.inp (generated)

000827071.b3lyp_6-31g(d).smash.inp (generated)

000827071.b3lyp_6-31g(d).nwchem.inp (generated) 000827071.b3lyp_6-31g(d).log.xz 000827071.td-b3lyp_6-31g+(d).inp 000827071.td-b3lyp_6-31g+(d).log.xz

000827071.td-b3lyp_6-31+g(d).qchem.inp (generated)

000827071.td-b3lyp_6-31+g(d).gjf (generated)

000827071.td-b3lyp_6-31+g(d).firefly.inp (generated)

000827071.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000827071.mol 000827071.PUBCHEM 000827071.mol (via Jmol)
000827072.b3lyp_6-31g(d).inp

000827072.b3lyp_6-31g(d).qchem.inp (generated)

000827072.b3lyp_6-31g(d).gjf (generated)

000827072.b3lyp_6-31g(d).firefly.inp (generated)

000827072.b3lyp_6-31g(d).smash.inp (generated)

000827072.b3lyp_6-31g(d).nwchem.inp (generated) 000827072.b3lyp_6-31g(d).log.xz 000827072.td-b3lyp_6-31g+(d).inp 000827072.td-b3lyp_6-31g+(d).log.xz

000827072.td-b3lyp_6-31+g(d).qchem.inp (generated)

000827072.td-b3lyp_6-31+g(d).gjf (generated)

000827072.td-b3lyp_6-31+g(d).firefly.inp (generated)

000827072.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000827072.mol 000827072.PUBCHEM 000827072.mol (via Jmol)
000827078.b3lyp_6-31g(d).inp

000827078.b3lyp_6-31g(d).qchem.inp (generated)

000827078.b3lyp_6-31g(d).gjf (generated)

000827078.b3lyp_6-31g(d).firefly.inp (generated)

000827078.b3lyp_6-31g(d).smash.inp (generated)

000827078.b3lyp_6-31g(d).nwchem.inp (generated) 000827078.b3lyp_6-31g(d).log.xz 000827078.mol 000827078.PUBCHEM 000827078.mol (via Jmol)
000827081.b3lyp_6-31g(d).inp

000827081.b3lyp_6-31g(d).qchem.inp (generated)

000827081.b3lyp_6-31g(d).gjf (generated)

000827081.b3lyp_6-31g(d).firefly.inp (generated)

000827081.b3lyp_6-31g(d).smash.inp (generated)

000827081.b3lyp_6-31g(d).nwchem.inp (generated) 000827081.b3lyp_6-31g(d).log.xz 000827081.td-b3lyp_6-31g+(d).inp 000827081.td-b3lyp_6-31g+(d).log.xz

000827081.td-b3lyp_6-31+g(d).qchem.inp (generated)

000827081.td-b3lyp_6-31+g(d).gjf (generated)

000827081.td-b3lyp_6-31+g(d).firefly.inp (generated)

000827081.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000827081.mol 000827081.PUBCHEM 000827081.mol (via Jmol)
000827094.b3lyp_6-31g(d).inp

000827094.b3lyp_6-31g(d).qchem.inp (generated)

000827094.b3lyp_6-31g(d).gjf (generated)

000827094.b3lyp_6-31g(d).firefly.inp (generated)

000827094.b3lyp_6-31g(d).smash.inp (generated)

000827094.b3lyp_6-31g(d).nwchem.inp (generated) 000827094.b3lyp_6-31g(d).log.xz 000827094.td-b3lyp_6-31g+(d).inp 000827094.td-b3lyp_6-31g+(d).log.xz

000827094.td-b3lyp_6-31+g(d).qchem.inp (generated)

000827094.td-b3lyp_6-31+g(d).gjf (generated)

000827094.td-b3lyp_6-31+g(d).firefly.inp (generated)

000827094.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000827094.mol 000827094.PUBCHEM 000827094.mol (via Jmol)
000827125.b3lyp_6-31g(d).inp

000827125.b3lyp_6-31g(d).qchem.inp (generated)

000827125.b3lyp_6-31g(d).gjf (generated)

000827125.b3lyp_6-31g(d).firefly.inp (generated)

000827125.b3lyp_6-31g(d).smash.inp (generated)

000827125.b3lyp_6-31g(d).nwchem.inp (generated) 000827125.b3lyp_6-31g(d).log.xz 000827125.td-b3lyp_6-31g+(d).inp 000827125.td-b3lyp_6-31g+(d).log.xz

000827125.td-b3lyp_6-31+g(d).qchem.inp (generated)

000827125.td-b3lyp_6-31+g(d).gjf (generated)

000827125.td-b3lyp_6-31+g(d).firefly.inp (generated)

000827125.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000827125.mol 000827125.PUBCHEM 000827125.mol (via Jmol)
000827126.b3lyp_6-31g(d).inp

000827126.b3lyp_6-31g(d).qchem.inp (generated)

000827126.b3lyp_6-31g(d).gjf (generated)

000827126.b3lyp_6-31g(d).firefly.inp (generated)

000827126.b3lyp_6-31g(d).smash.inp (generated)

000827126.b3lyp_6-31g(d).nwchem.inp (generated) 000827126.b3lyp_6-31g(d).log.xz 000827126.td-b3lyp_6-31g+(d).inp 000827126.td-b3lyp_6-31g+(d).log.xz

000827126.td-b3lyp_6-31+g(d).qchem.inp (generated)

000827126.td-b3lyp_6-31+g(d).gjf (generated)

000827126.td-b3lyp_6-31+g(d).firefly.inp (generated)

000827126.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000827126.mol 000827126.PUBCHEM 000827126.mol (via Jmol)
000827127.b3lyp_6-31g(d).inp

000827127.b3lyp_6-31g(d).qchem.inp (generated)

000827127.b3lyp_6-31g(d).gjf (generated)

000827127.b3lyp_6-31g(d).firefly.inp (generated)

000827127.b3lyp_6-31g(d).smash.inp (generated)

000827127.b3lyp_6-31g(d).nwchem.inp (generated) 000827127.b3lyp_6-31g(d).log.xz 000827127.mol 000827127.PUBCHEM 000827127.mol (via Jmol)
000827128.b3lyp_6-31g(d).inp

000827128.b3lyp_6-31g(d).qchem.inp (generated)

000827128.b3lyp_6-31g(d).gjf (generated)

000827128.b3lyp_6-31g(d).firefly.inp (generated)

000827128.b3lyp_6-31g(d).smash.inp (generated)

000827128.b3lyp_6-31g(d).nwchem.inp (generated) 000827128.b3lyp_6-31g(d).log.xz 000827128.td-b3lyp_6-31g+(d).inp 000827128.td-b3lyp_6-31g+(d).log.xz

000827128.td-b3lyp_6-31+g(d).qchem.inp (generated)

000827128.td-b3lyp_6-31+g(d).gjf (generated)

000827128.td-b3lyp_6-31+g(d).firefly.inp (generated)

000827128.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000827128.mol 000827128.PUBCHEM 000827128.mol (via Jmol)
000827172.b3lyp_6-31g(d).inp

000827172.b3lyp_6-31g(d).qchem.inp (generated)

000827172.b3lyp_6-31g(d).gjf (generated)

000827172.b3lyp_6-31g(d).firefly.inp (generated)

000827172.b3lyp_6-31g(d).smash.inp (generated)

000827172.b3lyp_6-31g(d).nwchem.inp (generated) 000827172.b3lyp_6-31g(d).log.xz 000827172.td-b3lyp_6-31g+(d).inp 000827172.td-b3lyp_6-31g+(d).log.xz

000827172.td-b3lyp_6-31+g(d).qchem.inp (generated)

000827172.td-b3lyp_6-31+g(d).gjf (generated)

000827172.td-b3lyp_6-31+g(d).firefly.inp (generated)

000827172.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000827172.mol 000827172.PUBCHEM 000827172.mol (via Jmol)
000827176.b3lyp_6-31g(d).inp

000827176.b3lyp_6-31g(d).qchem.inp (generated)

000827176.b3lyp_6-31g(d).gjf (generated)

000827176.b3lyp_6-31g(d).firefly.inp (generated)

000827176.b3lyp_6-31g(d).smash.inp (generated)

000827176.b3lyp_6-31g(d).nwchem.inp (generated) 000827176.b3lyp_6-31g(d).log.xz 000827176.td-b3lyp_6-31g+(d).inp 000827176.td-b3lyp_6-31g+(d).log.xz

000827176.td-b3lyp_6-31+g(d).qchem.inp (generated)

000827176.td-b3lyp_6-31+g(d).gjf (generated)

000827176.td-b3lyp_6-31+g(d).firefly.inp (generated)

000827176.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000827176.mol 000827176.PUBCHEM 000827176.mol (via Jmol)
000827181.b3lyp_6-31g(d).inp

000827181.b3lyp_6-31g(d).qchem.inp (generated)

000827181.b3lyp_6-31g(d).gjf (generated)

000827181.b3lyp_6-31g(d).firefly.inp (generated)

000827181.b3lyp_6-31g(d).smash.inp (generated)

000827181.b3lyp_6-31g(d).nwchem.inp (generated) 000827181.b3lyp_6-31g(d).log.xz 000827181.td-b3lyp_6-31g+(d).inp 000827181.td-b3lyp_6-31g+(d).log.xz

000827181.td-b3lyp_6-31+g(d).qchem.inp (generated)

000827181.td-b3lyp_6-31+g(d).gjf (generated)

000827181.td-b3lyp_6-31+g(d).firefly.inp (generated)

000827181.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000827181.mol 000827181.PUBCHEM 000827181.mol (via Jmol)
000827183.b3lyp_6-31g(d).inp

000827183.b3lyp_6-31g(d).qchem.inp (generated)

000827183.b3lyp_6-31g(d).gjf (generated)

000827183.b3lyp_6-31g(d).firefly.inp (generated)

000827183.b3lyp_6-31g(d).smash.inp (generated)

000827183.b3lyp_6-31g(d).nwchem.inp (generated) 000827183.b3lyp_6-31g(d).log.xz 000827183.td-b3lyp_6-31g+(d).inp 000827183.td-b3lyp_6-31g+(d).log.xz

000827183.td-b3lyp_6-31+g(d).qchem.inp (generated)

000827183.td-b3lyp_6-31+g(d).gjf (generated)

000827183.td-b3lyp_6-31+g(d).firefly.inp (generated)

000827183.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000827183.mol 000827183.PUBCHEM 000827183.mol (via Jmol)
000827196.b3lyp_6-31g(d).inp

000827196.b3lyp_6-31g(d).qchem.inp (generated)

000827196.b3lyp_6-31g(d).gjf (generated)

000827196.b3lyp_6-31g(d).firefly.inp (generated)

000827196.b3lyp_6-31g(d).smash.inp (generated)

000827196.b3lyp_6-31g(d).nwchem.inp (generated) 000827196.b3lyp_6-31g(d).log.xz 000827196.mol 000827196.PUBCHEM 000827196.mol (via Jmol)
000827201.b3lyp_6-31g(d).inp

000827201.b3lyp_6-31g(d).qchem.inp (generated)

000827201.b3lyp_6-31g(d).gjf (generated)

000827201.b3lyp_6-31g(d).firefly.inp (generated)

000827201.b3lyp_6-31g(d).smash.inp (generated)

000827201.b3lyp_6-31g(d).nwchem.inp (generated) 000827201.b3lyp_6-31g(d).log.xz 000827201.td-b3lyp_6-31g+(d).inp 000827201.td-b3lyp_6-31g+(d).log.xz

000827201.td-b3lyp_6-31+g(d).qchem.inp (generated)

000827201.td-b3lyp_6-31+g(d).gjf (generated)

000827201.td-b3lyp_6-31+g(d).firefly.inp (generated)

000827201.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000827201.mol 000827201.PUBCHEM 000827201.mol (via Jmol)
000827241.b3lyp_6-31g(d).inp

000827241.b3lyp_6-31g(d).qchem.inp (generated)

000827241.b3lyp_6-31g(d).gjf (generated)

000827241.b3lyp_6-31g(d).firefly.inp (generated)

000827241.b3lyp_6-31g(d).smash.inp (generated)

000827241.b3lyp_6-31g(d).nwchem.inp (generated) 000827241.b3lyp_6-31g(d).log.xz 000827241.mol 000827241.PUBCHEM 000827241.mol (via Jmol)
000827242.b3lyp_6-31g(d).inp

000827242.b3lyp_6-31g(d).qchem.inp (generated)

000827242.b3lyp_6-31g(d).gjf (generated)

000827242.b3lyp_6-31g(d).firefly.inp (generated)

000827242.b3lyp_6-31g(d).smash.inp (generated)

000827242.b3lyp_6-31g(d).nwchem.inp (generated) 000827242.b3lyp_6-31g(d).log.xz 000827242.mol 000827242.PUBCHEM 000827242.mol (via Jmol)
000827243.b3lyp_6-31g(d).inp

000827243.b3lyp_6-31g(d).qchem.inp (generated)

000827243.b3lyp_6-31g(d).gjf (generated)

000827243.b3lyp_6-31g(d).firefly.inp (generated)

000827243.b3lyp_6-31g(d).smash.inp (generated)

000827243.b3lyp_6-31g(d).nwchem.inp (generated) 000827243.b3lyp_6-31g(d).log.xz 000827243.mol 000827243.PUBCHEM 000827243.mol (via Jmol)
000827252.b3lyp_6-31g(d).inp

000827252.b3lyp_6-31g(d).qchem.inp (generated)

000827252.b3lyp_6-31g(d).gjf (generated)

000827252.b3lyp_6-31g(d).firefly.inp (generated)

000827252.b3lyp_6-31g(d).smash.inp (generated)

000827252.b3lyp_6-31g(d).nwchem.inp (generated) 000827252.b3lyp_6-31g(d).log.xz 000827252.mol 000827252.PUBCHEM 000827252.mol (via Jmol)
000827299.b3lyp_6-31g(d).inp

000827299.b3lyp_6-31g(d).qchem.inp (generated)

000827299.b3lyp_6-31g(d).gjf (generated)

000827299.b3lyp_6-31g(d).firefly.inp (generated)

000827299.b3lyp_6-31g(d).smash.inp (generated)

000827299.b3lyp_6-31g(d).nwchem.inp (generated) 000827299.b3lyp_6-31g(d).log.xz 000827299.td-b3lyp_6-31g+(d).inp 000827299.td-b3lyp_6-31g+(d).log.xz

000827299.td-b3lyp_6-31+g(d).qchem.inp (generated)

000827299.td-b3lyp_6-31+g(d).gjf (generated)

000827299.td-b3lyp_6-31+g(d).firefly.inp (generated)

000827299.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000827299.mol 000827299.PUBCHEM 000827299.mol (via Jmol)
000827305.b3lyp_6-31g(d).inp

000827305.b3lyp_6-31g(d).qchem.inp (generated)

000827305.b3lyp_6-31g(d).gjf (generated)

000827305.b3lyp_6-31g(d).firefly.inp (generated)

000827305.b3lyp_6-31g(d).smash.inp (generated)

000827305.b3lyp_6-31g(d).nwchem.inp (generated) 000827305.b3lyp_6-31g(d).log.xz 000827305.td-b3lyp_6-31g+(d).inp 000827305.td-b3lyp_6-31g+(d).log.xz

000827305.td-b3lyp_6-31+g(d).qchem.inp (generated)

000827305.td-b3lyp_6-31+g(d).gjf (generated)

000827305.td-b3lyp_6-31+g(d).firefly.inp (generated)

000827305.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000827305.mol 000827305.PUBCHEM 000827305.mol (via Jmol)
000827323.b3lyp_6-31g(d).inp

000827323.b3lyp_6-31g(d).qchem.inp (generated)

000827323.b3lyp_6-31g(d).gjf (generated)

000827323.b3lyp_6-31g(d).firefly.inp (generated)

000827323.b3lyp_6-31g(d).smash.inp (generated)

000827323.b3lyp_6-31g(d).nwchem.inp (generated) 000827323.b3lyp_6-31g(d).log.xz 000827323.td-b3lyp_6-31g+(d).inp 000827323.td-b3lyp_6-31g+(d).log.xz

000827323.td-b3lyp_6-31+g(d).qchem.inp (generated)

000827323.td-b3lyp_6-31+g(d).gjf (generated)

000827323.td-b3lyp_6-31+g(d).firefly.inp (generated)

000827323.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000827323.mol 000827323.PUBCHEM 000827323.mol (via Jmol)
000827349.b3lyp_6-31g(d).inp

000827349.b3lyp_6-31g(d).qchem.inp (generated)

000827349.b3lyp_6-31g(d).gjf (generated)

000827349.b3lyp_6-31g(d).firefly.inp (generated)

000827349.b3lyp_6-31g(d).smash.inp (generated)

000827349.b3lyp_6-31g(d).nwchem.inp (generated) 000827349.b3lyp_6-31g(d).log.xz 000827349.td-b3lyp_6-31g+(d).inp 000827349.td-b3lyp_6-31g+(d).log.xz

000827349.td-b3lyp_6-31+g(d).qchem.inp (generated)

000827349.td-b3lyp_6-31+g(d).gjf (generated)

000827349.td-b3lyp_6-31+g(d).firefly.inp (generated)

000827349.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000827349.mol 000827349.PUBCHEM 000827349.mol (via Jmol)
000827366.b3lyp_6-31g(d).inp

000827366.b3lyp_6-31g(d).qchem.inp (generated)

000827366.b3lyp_6-31g(d).gjf (generated)

000827366.b3lyp_6-31g(d).firefly.inp (generated)

000827366.b3lyp_6-31g(d).smash.inp (generated)

000827366.b3lyp_6-31g(d).nwchem.inp (generated) 000827366.b3lyp_6-31g(d).log.xz 000827366.td-b3lyp_6-31g+(d).inp 000827366.td-b3lyp_6-31g+(d).log.xz

000827366.td-b3lyp_6-31+g(d).qchem.inp (generated)

000827366.td-b3lyp_6-31+g(d).gjf (generated)

000827366.td-b3lyp_6-31+g(d).firefly.inp (generated)

000827366.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000827366.mol 000827366.PUBCHEM 000827366.mol (via Jmol)
000827377.b3lyp_6-31g(d).inp

000827377.b3lyp_6-31g(d).qchem.inp (generated)

000827377.b3lyp_6-31g(d).gjf (generated)

000827377.b3lyp_6-31g(d).firefly.inp (generated)

000827377.b3lyp_6-31g(d).smash.inp (generated)

000827377.b3lyp_6-31g(d).nwchem.inp (generated) 000827377.b3lyp_6-31g(d).log.xz 000827377.td-b3lyp_6-31g+(d).inp 000827377.td-b3lyp_6-31g+(d).log.xz

000827377.td-b3lyp_6-31+g(d).qchem.inp (generated)

000827377.td-b3lyp_6-31+g(d).gjf (generated)

000827377.td-b3lyp_6-31+g(d).firefly.inp (generated)

000827377.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000827377.mol 000827377.PUBCHEM 000827377.mol (via Jmol)
000827381.b3lyp_6-31g(d).inp

000827381.b3lyp_6-31g(d).qchem.inp (generated)

000827381.b3lyp_6-31g(d).gjf (generated)

000827381.b3lyp_6-31g(d).firefly.inp (generated)

000827381.b3lyp_6-31g(d).smash.inp (generated)

000827381.b3lyp_6-31g(d).nwchem.inp (generated) 000827381.b3lyp_6-31g(d).log.xz 000827381.td-b3lyp_6-31g+(d).inp 000827381.td-b3lyp_6-31g+(d).log.xz

000827381.td-b3lyp_6-31+g(d).qchem.inp (generated)

000827381.td-b3lyp_6-31+g(d).gjf (generated)

000827381.td-b3lyp_6-31+g(d).firefly.inp (generated)

000827381.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000827381.mol 000827381.PUBCHEM 000827381.mol (via Jmol)
000827408.b3lyp_6-31g(d).inp

000827408.b3lyp_6-31g(d).qchem.inp (generated)

000827408.b3lyp_6-31g(d).gjf (generated)

000827408.b3lyp_6-31g(d).firefly.inp (generated)

000827408.b3lyp_6-31g(d).smash.inp (generated)

000827408.b3lyp_6-31g(d).nwchem.inp (generated) 000827408.b3lyp_6-31g(d).log.xz 000827408.td-b3lyp_6-31g+(d).inp 000827408.td-b3lyp_6-31g+(d).log.xz

000827408.td-b3lyp_6-31+g(d).qchem.inp (generated)

000827408.td-b3lyp_6-31+g(d).gjf (generated)

000827408.td-b3lyp_6-31+g(d).firefly.inp (generated)

000827408.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000827408.mol 000827408.PUBCHEM 000827408.mol (via Jmol)
000827410.b3lyp_6-31g(d).inp

000827410.b3lyp_6-31g(d).qchem.inp (generated)

000827410.b3lyp_6-31g(d).gjf (generated)

000827410.b3lyp_6-31g(d).firefly.inp (generated)

000827410.b3lyp_6-31g(d).smash.inp (generated)

000827410.b3lyp_6-31g(d).nwchem.inp (generated) 000827410.b3lyp_6-31g(d).log.xz 000827410.td-b3lyp_6-31g+(d).inp 000827410.td-b3lyp_6-31g+(d).log.xz

000827410.td-b3lyp_6-31+g(d).qchem.inp (generated)

000827410.td-b3lyp_6-31+g(d).gjf (generated)

000827410.td-b3lyp_6-31+g(d).firefly.inp (generated)

000827410.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000827410.mol 000827410.PUBCHEM 000827410.mol (via Jmol)
000827422.b3lyp_6-31g(d).inp

000827422.b3lyp_6-31g(d).qchem.inp (generated)

000827422.b3lyp_6-31g(d).gjf (generated)

000827422.b3lyp_6-31g(d).firefly.inp (generated)

000827422.b3lyp_6-31g(d).smash.inp (generated)

000827422.b3lyp_6-31g(d).nwchem.inp (generated) 000827422.b3lyp_6-31g(d).log.xz 000827422.td-b3lyp_6-31g+(d).inp 000827422.td-b3lyp_6-31g+(d).log.xz

000827422.td-b3lyp_6-31+g(d).qchem.inp (generated)

000827422.td-b3lyp_6-31+g(d).gjf (generated)

000827422.td-b3lyp_6-31+g(d).firefly.inp (generated)

000827422.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000827422.mol 000827422.PUBCHEM 000827422.mol (via Jmol)
000827423.b3lyp_6-31g(d).inp

000827423.b3lyp_6-31g(d).qchem.inp (generated)

000827423.b3lyp_6-31g(d).gjf (generated)

000827423.b3lyp_6-31g(d).firefly.inp (generated)

000827423.b3lyp_6-31g(d).smash.inp (generated)

000827423.b3lyp_6-31g(d).nwchem.inp (generated) 000827423.b3lyp_6-31g(d).log.xz 000827423.mol 000827423.PUBCHEM 000827423.mol (via Jmol)
000827424.b3lyp_6-31g(d).inp

000827424.b3lyp_6-31g(d).qchem.inp (generated)

000827424.b3lyp_6-31g(d).gjf (generated)

000827424.b3lyp_6-31g(d).firefly.inp (generated)

000827424.b3lyp_6-31g(d).smash.inp (generated)

000827424.b3lyp_6-31g(d).nwchem.inp (generated) 000827424.b3lyp_6-31g(d).log.xz 000827424.td-b3lyp_6-31g+(d).inp 000827424.td-b3lyp_6-31g+(d).log.xz

000827424.td-b3lyp_6-31+g(d).qchem.inp (generated)

000827424.td-b3lyp_6-31+g(d).gjf (generated)

000827424.td-b3lyp_6-31+g(d).firefly.inp (generated)

000827424.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000827424.mol 000827424.PUBCHEM 000827424.mol (via Jmol)
000827428.b3lyp_6-31g(d).inp

000827428.b3lyp_6-31g(d).qchem.inp (generated)

000827428.b3lyp_6-31g(d).gjf (generated)

000827428.b3lyp_6-31g(d).firefly.inp (generated)

000827428.b3lyp_6-31g(d).smash.inp (generated)

000827428.b3lyp_6-31g(d).nwchem.inp (generated) 000827428.b3lyp_6-31g(d).log.xz 000827428.td-b3lyp_6-31g+(d).inp 000827428.td-b3lyp_6-31g+(d).log.xz

000827428.td-b3lyp_6-31+g(d).qchem.inp (generated)

000827428.td-b3lyp_6-31+g(d).gjf (generated)

000827428.td-b3lyp_6-31+g(d).firefly.inp (generated)

000827428.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000827428.mol 000827428.PUBCHEM 000827428.mol (via Jmol)
000827432.b3lyp_6-31g(d).inp

000827432.b3lyp_6-31g(d).qchem.inp (generated)

000827432.b3lyp_6-31g(d).gjf (generated)

000827432.b3lyp_6-31g(d).firefly.inp (generated)

000827432.b3lyp_6-31g(d).smash.inp (generated)

000827432.b3lyp_6-31g(d).nwchem.inp (generated) 000827432.b3lyp_6-31g(d).log.xz 000827432.td-b3lyp_6-31g+(d).inp 000827432.td-b3lyp_6-31g+(d).log.xz

000827432.td-b3lyp_6-31+g(d).qchem.inp (generated)

000827432.td-b3lyp_6-31+g(d).gjf (generated)

000827432.td-b3lyp_6-31+g(d).firefly.inp (generated)

000827432.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000827432.mol 000827432.PUBCHEM 000827432.mol (via Jmol)
000827435.b3lyp_6-31g(d).inp

000827435.b3lyp_6-31g(d).qchem.inp (generated)

000827435.b3lyp_6-31g(d).gjf (generated)

000827435.b3lyp_6-31g(d).firefly.inp (generated)

000827435.b3lyp_6-31g(d).smash.inp (generated)

000827435.b3lyp_6-31g(d).nwchem.inp (generated) 000827435.b3lyp_6-31g(d).log.xz 000827435.td-b3lyp_6-31g+(d).inp 000827435.td-b3lyp_6-31g+(d).log.xz

000827435.td-b3lyp_6-31+g(d).qchem.inp (generated)

000827435.td-b3lyp_6-31+g(d).gjf (generated)

000827435.td-b3lyp_6-31+g(d).firefly.inp (generated)

000827435.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000827435.mol 000827435.PUBCHEM 000827435.mol (via Jmol)
000827437.b3lyp_6-31g(d).inp

000827437.b3lyp_6-31g(d).qchem.inp (generated)

000827437.b3lyp_6-31g(d).gjf (generated)

000827437.b3lyp_6-31g(d).firefly.inp (generated)

000827437.b3lyp_6-31g(d).smash.inp (generated)

000827437.b3lyp_6-31g(d).nwchem.inp (generated) 000827437.b3lyp_6-31g(d).log.xz 000827437.mol 000827437.PUBCHEM 000827437.mol (via Jmol)
000827438.b3lyp_6-31g(d).inp

000827438.b3lyp_6-31g(d).qchem.inp (generated)

000827438.b3lyp_6-31g(d).gjf (generated)

000827438.b3lyp_6-31g(d).firefly.inp (generated)

000827438.b3lyp_6-31g(d).smash.inp (generated)

000827438.b3lyp_6-31g(d).nwchem.inp (generated) 000827438.b3lyp_6-31g(d).log.xz 000827438.td-b3lyp_6-31g+(d).inp 000827438.td-b3lyp_6-31g+(d).log.xz

000827438.td-b3lyp_6-31+g(d).qchem.inp (generated)

000827438.td-b3lyp_6-31+g(d).gjf (generated)

000827438.td-b3lyp_6-31+g(d).firefly.inp (generated)

000827438.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000827438.mol 000827438.PUBCHEM 000827438.mol (via Jmol)
000827444.b3lyp_6-31g(d).inp

000827444.b3lyp_6-31g(d).qchem.inp (generated)

000827444.b3lyp_6-31g(d).gjf (generated)

000827444.b3lyp_6-31g(d).firefly.inp (generated)

000827444.b3lyp_6-31g(d).smash.inp (generated)

000827444.b3lyp_6-31g(d).nwchem.inp (generated) 000827444.b3lyp_6-31g(d).log.xz 000827444.td-b3lyp_6-31g+(d).inp 000827444.td-b3lyp_6-31g+(d).log.xz

000827444.td-b3lyp_6-31+g(d).qchem.inp (generated)

000827444.td-b3lyp_6-31+g(d).gjf (generated)

000827444.td-b3lyp_6-31+g(d).firefly.inp (generated)

000827444.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000827444.mol 000827444.PUBCHEM 000827444.mol (via Jmol)
000827458.b3lyp_6-31g(d).inp

000827458.b3lyp_6-31g(d).qchem.inp (generated)

000827458.b3lyp_6-31g(d).gjf (generated)

000827458.b3lyp_6-31g(d).firefly.inp (generated)

000827458.b3lyp_6-31g(d).smash.inp (generated)

000827458.b3lyp_6-31g(d).nwchem.inp (generated) 000827458.b3lyp_6-31g(d).log.xz 000827458.td-b3lyp_6-31g+(d).inp 000827458.td-b3lyp_6-31g+(d).log.xz

000827458.td-b3lyp_6-31+g(d).qchem.inp (generated)

000827458.td-b3lyp_6-31+g(d).gjf (generated)

000827458.td-b3lyp_6-31+g(d).firefly.inp (generated)

000827458.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000827458.mol 000827458.PUBCHEM 000827458.mol (via Jmol)
000827459.b3lyp_6-31g(d).inp

000827459.b3lyp_6-31g(d).qchem.inp (generated)

000827459.b3lyp_6-31g(d).gjf (generated)

000827459.b3lyp_6-31g(d).firefly.inp (generated)

000827459.b3lyp_6-31g(d).smash.inp (generated)

000827459.b3lyp_6-31g(d).nwchem.inp (generated) 000827459.b3lyp_6-31g(d).log.xz 000827459.td-b3lyp_6-31g+(d).inp 000827459.td-b3lyp_6-31g+(d).log.xz

000827459.td-b3lyp_6-31+g(d).qchem.inp (generated)

000827459.td-b3lyp_6-31+g(d).gjf (generated)

000827459.td-b3lyp_6-31+g(d).firefly.inp (generated)

000827459.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000827459.mol 000827459.PUBCHEM 000827459.mol (via Jmol)
000827463.b3lyp_6-31g(d).inp

000827463.b3lyp_6-31g(d).qchem.inp (generated)

000827463.b3lyp_6-31g(d).gjf (generated)

000827463.b3lyp_6-31g(d).firefly.inp (generated)

000827463.b3lyp_6-31g(d).smash.inp (generated)

000827463.b3lyp_6-31g(d).nwchem.inp (generated) 000827463.b3lyp_6-31g(d).log.xz 000827463.td-b3lyp_6-31g+(d).inp 000827463.td-b3lyp_6-31g+(d).log.xz

000827463.td-b3lyp_6-31+g(d).qchem.inp (generated)

000827463.td-b3lyp_6-31+g(d).gjf (generated)

000827463.td-b3lyp_6-31+g(d).firefly.inp (generated)

000827463.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000827463.mol 000827463.PUBCHEM 000827463.mol (via Jmol)
000827481.b3lyp_6-31g(d).inp

000827481.b3lyp_6-31g(d).qchem.inp (generated)

000827481.b3lyp_6-31g(d).gjf (generated)

000827481.b3lyp_6-31g(d).firefly.inp (generated)

000827481.b3lyp_6-31g(d).smash.inp (generated)

000827481.b3lyp_6-31g(d).nwchem.inp (generated) 000827481.b3lyp_6-31g(d).log.xz 000827481.td-b3lyp_6-31g+(d).inp 000827481.td-b3lyp_6-31g+(d).log.xz

000827481.td-b3lyp_6-31+g(d).qchem.inp (generated)

000827481.td-b3lyp_6-31+g(d).gjf (generated)

000827481.td-b3lyp_6-31+g(d).firefly.inp (generated)

000827481.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000827481.mol 000827481.PUBCHEM 000827481.mol (via Jmol)
000827483.b3lyp_6-31g(d).inp

000827483.b3lyp_6-31g(d).qchem.inp (generated)

000827483.b3lyp_6-31g(d).gjf (generated)

000827483.b3lyp_6-31g(d).firefly.inp (generated)

000827483.b3lyp_6-31g(d).smash.inp (generated)

000827483.b3lyp_6-31g(d).nwchem.inp (generated) 000827483.b3lyp_6-31g(d).log.xz 000827483.mol 000827483.PUBCHEM 000827483.mol (via Jmol)
000827484.b3lyp_6-31g(d).inp

000827484.b3lyp_6-31g(d).qchem.inp (generated)

000827484.b3lyp_6-31g(d).gjf (generated)

000827484.b3lyp_6-31g(d).firefly.inp (generated)

000827484.b3lyp_6-31g(d).smash.inp (generated)

000827484.b3lyp_6-31g(d).nwchem.inp (generated) 000827484.b3lyp_6-31g(d).log.xz 000827484.td-b3lyp_6-31g+(d).inp 000827484.td-b3lyp_6-31g+(d).log.xz

000827484.td-b3lyp_6-31+g(d).qchem.inp (generated)

000827484.td-b3lyp_6-31+g(d).gjf (generated)

000827484.td-b3lyp_6-31+g(d).firefly.inp (generated)

000827484.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000827484.mol 000827484.PUBCHEM 000827484.mol (via Jmol)
000827487.b3lyp_6-31g(d).inp

000827487.b3lyp_6-31g(d).qchem.inp (generated)

000827487.b3lyp_6-31g(d).gjf (generated)

000827487.b3lyp_6-31g(d).firefly.inp (generated)

000827487.b3lyp_6-31g(d).smash.inp (generated)

000827487.b3lyp_6-31g(d).nwchem.inp (generated) 000827487.b3lyp_6-31g(d).log.xz 000827487.td-b3lyp_6-31g+(d).inp 000827487.td-b3lyp_6-31g+(d).log.xz

000827487.td-b3lyp_6-31+g(d).qchem.inp (generated)

000827487.td-b3lyp_6-31+g(d).gjf (generated)

000827487.td-b3lyp_6-31+g(d).firefly.inp (generated)

000827487.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000827487.mol 000827487.PUBCHEM 000827487.mol (via Jmol)
000827492.b3lyp_6-31g(d).inp

000827492.b3lyp_6-31g(d).qchem.inp (generated)

000827492.b3lyp_6-31g(d).gjf (generated)

000827492.b3lyp_6-31g(d).firefly.inp (generated)

000827492.b3lyp_6-31g(d).smash.inp (generated)

000827492.b3lyp_6-31g(d).nwchem.inp (generated) 000827492.b3lyp_6-31g(d).log.xz 000827492.td-b3lyp_6-31g+(d).inp 000827492.td-b3lyp_6-31g+(d).log.xz

000827492.td-b3lyp_6-31+g(d).qchem.inp (generated)

000827492.td-b3lyp_6-31+g(d).gjf (generated)

000827492.td-b3lyp_6-31+g(d).firefly.inp (generated)

000827492.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000827492.mol 000827492.PUBCHEM 000827492.mol (via Jmol)
000827493.b3lyp_6-31g(d).inp

000827493.b3lyp_6-31g(d).qchem.inp (generated)

000827493.b3lyp_6-31g(d).gjf (generated)

000827493.b3lyp_6-31g(d).firefly.inp (generated)

000827493.b3lyp_6-31g(d).smash.inp (generated)

000827493.b3lyp_6-31g(d).nwchem.inp (generated) 000827493.b3lyp_6-31g(d).log.xz 000827493.td-b3lyp_6-31g+(d).inp 000827493.td-b3lyp_6-31g+(d).log.xz

000827493.td-b3lyp_6-31+g(d).qchem.inp (generated)

000827493.td-b3lyp_6-31+g(d).gjf (generated)

000827493.td-b3lyp_6-31+g(d).firefly.inp (generated)

000827493.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000827493.mol 000827493.PUBCHEM 000827493.mol (via Jmol)
000827515.b3lyp_6-31g(d).inp

000827515.b3lyp_6-31g(d).qchem.inp (generated)

000827515.b3lyp_6-31g(d).gjf (generated)

000827515.b3lyp_6-31g(d).firefly.inp (generated)

000827515.b3lyp_6-31g(d).smash.inp (generated)

000827515.b3lyp_6-31g(d).nwchem.inp (generated) 000827515.b3lyp_6-31g(d).log.xz 000827515.td-b3lyp_6-31g+(d).inp 000827515.td-b3lyp_6-31g+(d).log.xz

000827515.td-b3lyp_6-31+g(d).qchem.inp (generated)

000827515.td-b3lyp_6-31+g(d).gjf (generated)

000827515.td-b3lyp_6-31+g(d).firefly.inp (generated)

000827515.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000827515.mol 000827515.PUBCHEM 000827515.mol (via Jmol)
000827516.b3lyp_6-31g(d).inp

000827516.b3lyp_6-31g(d).qchem.inp (generated)

000827516.b3lyp_6-31g(d).gjf (generated)

000827516.b3lyp_6-31g(d).firefly.inp (generated)

000827516.b3lyp_6-31g(d).smash.inp (generated)

000827516.b3lyp_6-31g(d).nwchem.inp (generated) 000827516.b3lyp_6-31g(d).log.xz 000827516.td-b3lyp_6-31g+(d).inp 000827516.td-b3lyp_6-31g+(d).log.xz

000827516.td-b3lyp_6-31+g(d).qchem.inp (generated)

000827516.td-b3lyp_6-31+g(d).gjf (generated)

000827516.td-b3lyp_6-31+g(d).firefly.inp (generated)

000827516.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000827516.mol 000827516.PUBCHEM 000827516.mol (via Jmol)
000827518.b3lyp_6-31g(d).inp

000827518.b3lyp_6-31g(d).qchem.inp (generated)

000827518.b3lyp_6-31g(d).gjf (generated)

000827518.b3lyp_6-31g(d).firefly.inp (generated)

000827518.b3lyp_6-31g(d).smash.inp (generated)

000827518.b3lyp_6-31g(d).nwchem.inp (generated) 000827518.b3lyp_6-31g(d).log.xz 000827518.td-b3lyp_6-31g+(d).inp 000827518.td-b3lyp_6-31g+(d).log.xz

000827518.td-b3lyp_6-31+g(d).qchem.inp (generated)

000827518.td-b3lyp_6-31+g(d).gjf (generated)

000827518.td-b3lyp_6-31+g(d).firefly.inp (generated)

000827518.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000827518.mol 000827518.PUBCHEM 000827518.mol (via Jmol)
000827520.b3lyp_6-31g(d).inp

000827520.b3lyp_6-31g(d).qchem.inp (generated)

000827520.b3lyp_6-31g(d).gjf (generated)

000827520.b3lyp_6-31g(d).firefly.inp (generated)

000827520.b3lyp_6-31g(d).smash.inp (generated)

000827520.b3lyp_6-31g(d).nwchem.inp (generated) 000827520.b3lyp_6-31g(d).log.xz 000827520.mol 000827520.PUBCHEM 000827520.mol (via Jmol)
000827522.b3lyp_6-31g(d).inp

000827522.b3lyp_6-31g(d).qchem.inp (generated)

000827522.b3lyp_6-31g(d).gjf (generated)

000827522.b3lyp_6-31g(d).firefly.inp (generated)

000827522.b3lyp_6-31g(d).smash.inp (generated)

000827522.b3lyp_6-31g(d).nwchem.inp (generated) 000827522.b3lyp_6-31g(d).log.xz 000827522.td-b3lyp_6-31g+(d).inp 000827522.td-b3lyp_6-31g+(d).log.xz

000827522.td-b3lyp_6-31+g(d).qchem.inp (generated)

000827522.td-b3lyp_6-31+g(d).gjf (generated)

000827522.td-b3lyp_6-31+g(d).firefly.inp (generated)

000827522.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000827522.mol 000827522.PUBCHEM 000827522.mol (via Jmol)
000827526.b3lyp_6-31g(d).inp

000827526.b3lyp_6-31g(d).qchem.inp (generated)

000827526.b3lyp_6-31g(d).gjf (generated)

000827526.b3lyp_6-31g(d).firefly.inp (generated)

000827526.b3lyp_6-31g(d).smash.inp (generated)

000827526.b3lyp_6-31g(d).nwchem.inp (generated) 000827526.b3lyp_6-31g(d).log.xz 000827526.td-b3lyp_6-31g+(d).inp 000827526.td-b3lyp_6-31g+(d).log.xz

000827526.td-b3lyp_6-31+g(d).qchem.inp (generated)

000827526.td-b3lyp_6-31+g(d).gjf (generated)

000827526.td-b3lyp_6-31+g(d).firefly.inp (generated)

000827526.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000827526.mol 000827526.PUBCHEM 000827526.mol (via Jmol)
000827538.b3lyp_6-31g(d).inp

000827538.b3lyp_6-31g(d).qchem.inp (generated)

000827538.b3lyp_6-31g(d).gjf (generated)

000827538.b3lyp_6-31g(d).firefly.inp (generated)

000827538.b3lyp_6-31g(d).smash.inp (generated)

000827538.b3lyp_6-31g(d).nwchem.inp (generated) 000827538.b3lyp_6-31g(d).log.xz 000827538.td-b3lyp_6-31g+(d).inp 000827538.td-b3lyp_6-31g+(d).log.xz

000827538.td-b3lyp_6-31+g(d).qchem.inp (generated)

000827538.td-b3lyp_6-31+g(d).gjf (generated)

000827538.td-b3lyp_6-31+g(d).firefly.inp (generated)

000827538.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000827538.mol 000827538.PUBCHEM 000827538.mol (via Jmol)
000827540.b3lyp_6-31g(d).inp

000827540.b3lyp_6-31g(d).qchem.inp (generated)

000827540.b3lyp_6-31g(d).gjf (generated)

000827540.b3lyp_6-31g(d).firefly.inp (generated)

000827540.b3lyp_6-31g(d).smash.inp (generated)

000827540.b3lyp_6-31g(d).nwchem.inp (generated) 000827540.b3lyp_6-31g(d).log.xz 000827540.td-b3lyp_6-31g+(d).inp 000827540.td-b3lyp_6-31g+(d).log.xz

000827540.td-b3lyp_6-31+g(d).qchem.inp (generated)

000827540.td-b3lyp_6-31+g(d).gjf (generated)

000827540.td-b3lyp_6-31+g(d).firefly.inp (generated)

000827540.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000827540.mol 000827540.PUBCHEM 000827540.mol (via Jmol)
000827544.b3lyp_6-31g(d).inp

000827544.b3lyp_6-31g(d).qchem.inp (generated)

000827544.b3lyp_6-31g(d).gjf (generated)

000827544.b3lyp_6-31g(d).firefly.inp (generated)

000827544.b3lyp_6-31g(d).smash.inp (generated)

000827544.b3lyp_6-31g(d).nwchem.inp (generated) 000827544.b3lyp_6-31g(d).log.xz 000827544.td-b3lyp_6-31g+(d).inp 000827544.td-b3lyp_6-31g+(d).log.xz

000827544.td-b3lyp_6-31+g(d).qchem.inp (generated)

000827544.td-b3lyp_6-31+g(d).gjf (generated)

000827544.td-b3lyp_6-31+g(d).firefly.inp (generated)

000827544.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000827544.mol 000827544.PUBCHEM 000827544.mol (via Jmol)
000827545.b3lyp_6-31g(d).inp

000827545.b3lyp_6-31g(d).qchem.inp (generated)

000827545.b3lyp_6-31g(d).gjf (generated)

000827545.b3lyp_6-31g(d).firefly.inp (generated)

000827545.b3lyp_6-31g(d).smash.inp (generated)

000827545.b3lyp_6-31g(d).nwchem.inp (generated) 000827545.b3lyp_6-31g(d).log.xz 000827545.td-b3lyp_6-31g+(d).inp 000827545.td-b3lyp_6-31g+(d).log.xz

000827545.td-b3lyp_6-31+g(d).qchem.inp (generated)

000827545.td-b3lyp_6-31+g(d).gjf (generated)

000827545.td-b3lyp_6-31+g(d).firefly.inp (generated)

000827545.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000827545.mol 000827545.PUBCHEM 000827545.mol (via Jmol)
000827555.b3lyp_6-31g(d).inp

000827555.b3lyp_6-31g(d).qchem.inp (generated)

000827555.b3lyp_6-31g(d).gjf (generated)

000827555.b3lyp_6-31g(d).firefly.inp (generated)

000827555.b3lyp_6-31g(d).smash.inp (generated)

000827555.b3lyp_6-31g(d).nwchem.inp (generated) 000827555.b3lyp_6-31g(d).log.xz 000827555.td-b3lyp_6-31g+(d).inp 000827555.td-b3lyp_6-31g+(d).log.xz

000827555.td-b3lyp_6-31+g(d).qchem.inp (generated)

000827555.td-b3lyp_6-31+g(d).gjf (generated)

000827555.td-b3lyp_6-31+g(d).firefly.inp (generated)

000827555.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000827555.mol 000827555.PUBCHEM 000827555.mol (via Jmol)
000827559.b3lyp_6-31g(d).inp

000827559.b3lyp_6-31g(d).qchem.inp (generated)

000827559.b3lyp_6-31g(d).gjf (generated)

000827559.b3lyp_6-31g(d).firefly.inp (generated)

000827559.b3lyp_6-31g(d).smash.inp (generated)

000827559.b3lyp_6-31g(d).nwchem.inp (generated) 000827559.b3lyp_6-31g(d).log.xz 000827559.mol 000827559.PUBCHEM 000827559.mol (via Jmol)
000827563.b3lyp_6-31g(d).inp

000827563.b3lyp_6-31g(d).qchem.inp (generated)

000827563.b3lyp_6-31g(d).gjf (generated)

000827563.b3lyp_6-31g(d).firefly.inp (generated)

000827563.b3lyp_6-31g(d).smash.inp (generated)

000827563.b3lyp_6-31g(d).nwchem.inp (generated) 000827563.b3lyp_6-31g(d).log.xz 000827563.td-b3lyp_6-31g+(d).inp 000827563.td-b3lyp_6-31g+(d).log.xz

000827563.td-b3lyp_6-31+g(d).qchem.inp (generated)

000827563.td-b3lyp_6-31+g(d).gjf (generated)

000827563.td-b3lyp_6-31+g(d).firefly.inp (generated)

000827563.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000827563.mol 000827563.PUBCHEM 000827563.mol (via Jmol)
000827564.b3lyp_6-31g(d).inp

000827564.b3lyp_6-31g(d).qchem.inp (generated)

000827564.b3lyp_6-31g(d).gjf (generated)

000827564.b3lyp_6-31g(d).firefly.inp (generated)

000827564.b3lyp_6-31g(d).smash.inp (generated)

000827564.b3lyp_6-31g(d).nwchem.inp (generated) 000827564.b3lyp_6-31g(d).log.xz 000827564.td-b3lyp_6-31g+(d).inp 000827564.td-b3lyp_6-31g+(d).log.xz

000827564.td-b3lyp_6-31+g(d).qchem.inp (generated)

000827564.td-b3lyp_6-31+g(d).gjf (generated)

000827564.td-b3lyp_6-31+g(d).firefly.inp (generated)

000827564.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000827564.mol 000827564.PUBCHEM 000827564.mol (via Jmol)
000827566.b3lyp_6-31g(d).inp

000827566.b3lyp_6-31g(d).qchem.inp (generated)

000827566.b3lyp_6-31g(d).gjf (generated)

000827566.b3lyp_6-31g(d).firefly.inp (generated)

000827566.b3lyp_6-31g(d).smash.inp (generated)

000827566.b3lyp_6-31g(d).nwchem.inp (generated) 000827566.b3lyp_6-31g(d).log.xz 000827566.td-b3lyp_6-31g+(d).inp 000827566.td-b3lyp_6-31g+(d).log.xz

000827566.td-b3lyp_6-31+g(d).qchem.inp (generated)

000827566.td-b3lyp_6-31+g(d).gjf (generated)

000827566.td-b3lyp_6-31+g(d).firefly.inp (generated)

000827566.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000827566.mol 000827566.PUBCHEM 000827566.mol (via Jmol)
000827567.b3lyp_6-31g(d).inp

000827567.b3lyp_6-31g(d).qchem.inp (generated)

000827567.b3lyp_6-31g(d).gjf (generated)

000827567.b3lyp_6-31g(d).firefly.inp (generated)

000827567.b3lyp_6-31g(d).smash.inp (generated)

000827567.b3lyp_6-31g(d).nwchem.inp (generated) 000827567.b3lyp_6-31g(d).log.xz 000827567.td-b3lyp_6-31g+(d).inp 000827567.td-b3lyp_6-31g+(d).log.xz

000827567.td-b3lyp_6-31+g(d).qchem.inp (generated)

000827567.td-b3lyp_6-31+g(d).gjf (generated)

000827567.td-b3lyp_6-31+g(d).firefly.inp (generated)

000827567.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000827567.mol 000827567.PUBCHEM 000827567.mol (via Jmol)
000827574.b3lyp_6-31g(d).inp

000827574.b3lyp_6-31g(d).qchem.inp (generated)

000827574.b3lyp_6-31g(d).gjf (generated)

000827574.b3lyp_6-31g(d).firefly.inp (generated)

000827574.b3lyp_6-31g(d).smash.inp (generated)

000827574.b3lyp_6-31g(d).nwchem.inp (generated) 000827574.b3lyp_6-31g(d).log.xz 000827574.mol 000827574.PUBCHEM 000827574.mol (via Jmol)
000827599.b3lyp_6-31g(d).inp

000827599.b3lyp_6-31g(d).qchem.inp (generated)

000827599.b3lyp_6-31g(d).gjf (generated)

000827599.b3lyp_6-31g(d).firefly.inp (generated)

000827599.b3lyp_6-31g(d).smash.inp (generated)

000827599.b3lyp_6-31g(d).nwchem.inp (generated) 000827599.b3lyp_6-31g(d).log.xz 000827599.mol 000827599.PUBCHEM 000827599.mol (via Jmol)
000827621.b3lyp_6-31g(d).inp

000827621.b3lyp_6-31g(d).qchem.inp (generated)

000827621.b3lyp_6-31g(d).gjf (generated)

000827621.b3lyp_6-31g(d).firefly.inp (generated)

000827621.b3lyp_6-31g(d).smash.inp (generated)

000827621.b3lyp_6-31g(d).nwchem.inp (generated) 000827621.b3lyp_6-31g(d).log.xz 000827621.td-b3lyp_6-31g+(d).inp 000827621.td-b3lyp_6-31g+(d).log.xz

000827621.td-b3lyp_6-31+g(d).qchem.inp (generated)

000827621.td-b3lyp_6-31+g(d).gjf (generated)

000827621.td-b3lyp_6-31+g(d).firefly.inp (generated)

000827621.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000827621.mol 000827621.PUBCHEM 000827621.mol (via Jmol)
000827643.b3lyp_6-31g(d).inp

000827643.b3lyp_6-31g(d).qchem.inp (generated)

000827643.b3lyp_6-31g(d).gjf (generated)

000827643.b3lyp_6-31g(d).firefly.inp (generated)

000827643.b3lyp_6-31g(d).smash.inp (generated)

000827643.b3lyp_6-31g(d).nwchem.inp (generated) 000827643.b3lyp_6-31g(d).log.xz 000827643.td-b3lyp_6-31g+(d).inp 000827643.td-b3lyp_6-31g+(d).log.xz

000827643.td-b3lyp_6-31+g(d).qchem.inp (generated)

000827643.td-b3lyp_6-31+g(d).gjf (generated)

000827643.td-b3lyp_6-31+g(d).firefly.inp (generated)

000827643.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000827643.mol 000827643.PUBCHEM 000827643.mol (via Jmol)
000827651.b3lyp_6-31g(d).inp

000827651.b3lyp_6-31g(d).qchem.inp (generated)

000827651.b3lyp_6-31g(d).gjf (generated)

000827651.b3lyp_6-31g(d).firefly.inp (generated)

000827651.b3lyp_6-31g(d).smash.inp (generated)

000827651.b3lyp_6-31g(d).nwchem.inp (generated) 000827651.b3lyp_6-31g(d).log.xz 000827651.td-b3lyp_6-31g+(d).inp 000827651.td-b3lyp_6-31g+(d).log.xz

000827651.td-b3lyp_6-31+g(d).qchem.inp (generated)

000827651.td-b3lyp_6-31+g(d).gjf (generated)

000827651.td-b3lyp_6-31+g(d).firefly.inp (generated)

000827651.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000827651.mol 000827651.PUBCHEM 000827651.mol (via Jmol)
000827652.b3lyp_6-31g(d).inp

000827652.b3lyp_6-31g(d).qchem.inp (generated)

000827652.b3lyp_6-31g(d).gjf (generated)

000827652.b3lyp_6-31g(d).firefly.inp (generated)

000827652.b3lyp_6-31g(d).smash.inp (generated)

000827652.b3lyp_6-31g(d).nwchem.inp (generated) 000827652.b3lyp_6-31g(d).log.xz 000827652.td-b3lyp_6-31g+(d).inp 000827652.td-b3lyp_6-31g+(d).log.xz

000827652.td-b3lyp_6-31+g(d).qchem.inp (generated)

000827652.td-b3lyp_6-31+g(d).gjf (generated)

000827652.td-b3lyp_6-31+g(d).firefly.inp (generated)

000827652.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000827652.mol 000827652.PUBCHEM 000827652.mol (via Jmol)
000827708.b3lyp_6-31g(d).inp

000827708.b3lyp_6-31g(d).qchem.inp (generated)

000827708.b3lyp_6-31g(d).gjf (generated)

000827708.b3lyp_6-31g(d).firefly.inp (generated)

000827708.b3lyp_6-31g(d).smash.inp (generated)

000827708.b3lyp_6-31g(d).nwchem.inp (generated) 000827708.b3lyp_6-31g(d).log.xz 000827708.td-b3lyp_6-31g+(d).inp 000827708.td-b3lyp_6-31g+(d).log.xz

000827708.td-b3lyp_6-31+g(d).qchem.inp (generated)

000827708.td-b3lyp_6-31+g(d).gjf (generated)

000827708.td-b3lyp_6-31+g(d).firefly.inp (generated)

000827708.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000827708.mol 000827708.PUBCHEM 000827708.mol (via Jmol)
000827744.b3lyp_6-31g(d).inp

000827744.b3lyp_6-31g(d).qchem.inp (generated)

000827744.b3lyp_6-31g(d).gjf (generated)

000827744.b3lyp_6-31g(d).firefly.inp (generated)

000827744.b3lyp_6-31g(d).smash.inp (generated)

000827744.b3lyp_6-31g(d).nwchem.inp (generated) 000827744.b3lyp_6-31g(d).log.xz 000827744.mol 000827744.PUBCHEM 000827744.mol (via Jmol)
000827745.b3lyp_6-31g(d).inp

000827745.b3lyp_6-31g(d).qchem.inp (generated)

000827745.b3lyp_6-31g(d).gjf (generated)

000827745.b3lyp_6-31g(d).firefly.inp (generated)

000827745.b3lyp_6-31g(d).smash.inp (generated)

000827745.b3lyp_6-31g(d).nwchem.inp (generated) 000827745.b3lyp_6-31g(d).log.xz 000827745.mol 000827745.PUBCHEM 000827745.mol (via Jmol)
000827757.b3lyp_6-31g(d).inp

000827757.b3lyp_6-31g(d).qchem.inp (generated)

000827757.b3lyp_6-31g(d).gjf (generated)

000827757.b3lyp_6-31g(d).firefly.inp (generated)

000827757.b3lyp_6-31g(d).smash.inp (generated)

000827757.b3lyp_6-31g(d).nwchem.inp (generated) 000827757.b3lyp_6-31g(d).log.xz 000827757.td-b3lyp_6-31g+(d).inp 000827757.td-b3lyp_6-31g+(d).log.xz

000827757.td-b3lyp_6-31+g(d).qchem.inp (generated)

000827757.td-b3lyp_6-31+g(d).gjf (generated)

000827757.td-b3lyp_6-31+g(d).firefly.inp (generated)

000827757.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000827757.mol 000827757.PUBCHEM 000827757.mol (via Jmol)
000827758.b3lyp_6-31g(d).inp

000827758.b3lyp_6-31g(d).qchem.inp (generated)

000827758.b3lyp_6-31g(d).gjf (generated)

000827758.b3lyp_6-31g(d).firefly.inp (generated)

000827758.b3lyp_6-31g(d).smash.inp (generated)

000827758.b3lyp_6-31g(d).nwchem.inp (generated) 000827758.b3lyp_6-31g(d).log.xz 000827758.td-b3lyp_6-31g+(d).inp 000827758.td-b3lyp_6-31g+(d).log.xz

000827758.td-b3lyp_6-31+g(d).qchem.inp (generated)

000827758.td-b3lyp_6-31+g(d).gjf (generated)

000827758.td-b3lyp_6-31+g(d).firefly.inp (generated)

000827758.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000827758.mol 000827758.PUBCHEM 000827758.mol (via Jmol)
000827789.b3lyp_6-31g(d).inp

000827789.b3lyp_6-31g(d).qchem.inp (generated)

000827789.b3lyp_6-31g(d).gjf (generated)

000827789.b3lyp_6-31g(d).firefly.inp (generated)

000827789.b3lyp_6-31g(d).smash.inp (generated)

000827789.b3lyp_6-31g(d).nwchem.inp (generated) 000827789.b3lyp_6-31g(d).log.xz 000827789.mol 000827789.PUBCHEM 000827789.mol (via Jmol)
000827803.b3lyp_6-31g(d).inp

000827803.b3lyp_6-31g(d).qchem.inp (generated)

000827803.b3lyp_6-31g(d).gjf (generated)

000827803.b3lyp_6-31g(d).firefly.inp (generated)

000827803.b3lyp_6-31g(d).smash.inp (generated)

000827803.b3lyp_6-31g(d).nwchem.inp (generated) 000827803.b3lyp_6-31g(d).log.xz 000827803.td-b3lyp_6-31g+(d).inp 000827803.td-b3lyp_6-31g+(d).log.xz

000827803.td-b3lyp_6-31+g(d).qchem.inp (generated)

000827803.td-b3lyp_6-31+g(d).gjf (generated)

000827803.td-b3lyp_6-31+g(d).firefly.inp (generated)

000827803.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000827803.mol 000827803.PUBCHEM 000827803.mol (via Jmol)
000827875.b3lyp_6-31g(d).inp

000827875.b3lyp_6-31g(d).qchem.inp (generated)

000827875.b3lyp_6-31g(d).gjf (generated)

000827875.b3lyp_6-31g(d).firefly.inp (generated)

000827875.b3lyp_6-31g(d).smash.inp (generated)

000827875.b3lyp_6-31g(d).nwchem.inp (generated) 000827875.b3lyp_6-31g(d).log.xz 000827875.mol 000827875.PUBCHEM 000827875.mol (via Jmol)
000827879.b3lyp_6-31g(d).inp

000827879.b3lyp_6-31g(d).qchem.inp (generated)

000827879.b3lyp_6-31g(d).gjf (generated)

000827879.b3lyp_6-31g(d).firefly.inp (generated)

000827879.b3lyp_6-31g(d).smash.inp (generated)

000827879.b3lyp_6-31g(d).nwchem.inp (generated) 000827879.b3lyp_6-31g(d).log.xz 000827879.td-b3lyp_6-31g+(d).inp 000827879.td-b3lyp_6-31g+(d).log.xz

000827879.td-b3lyp_6-31+g(d).qchem.inp (generated)

000827879.td-b3lyp_6-31+g(d).gjf (generated)

000827879.td-b3lyp_6-31+g(d).firefly.inp (generated)

000827879.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000827879.mol 000827879.PUBCHEM 000827879.mol (via Jmol)
000827880.b3lyp_6-31g(d).inp

000827880.b3lyp_6-31g(d).qchem.inp (generated)

000827880.b3lyp_6-31g(d).gjf (generated)

000827880.b3lyp_6-31g(d).firefly.inp (generated)

000827880.b3lyp_6-31g(d).smash.inp (generated)

000827880.b3lyp_6-31g(d).nwchem.inp (generated) 000827880.b3lyp_6-31g(d).log.xz 000827880.td-b3lyp_6-31g+(d).inp 000827880.td-b3lyp_6-31g+(d).log.xz

000827880.td-b3lyp_6-31+g(d).qchem.inp (generated)

000827880.td-b3lyp_6-31+g(d).gjf (generated)

000827880.td-b3lyp_6-31+g(d).firefly.inp (generated)

000827880.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000827880.mol 000827880.PUBCHEM 000827880.mol (via Jmol)
000827881.b3lyp_6-31g(d).inp

000827881.b3lyp_6-31g(d).qchem.inp (generated)

000827881.b3lyp_6-31g(d).gjf (generated)

000827881.b3lyp_6-31g(d).firefly.inp (generated)

000827881.b3lyp_6-31g(d).smash.inp (generated)

000827881.b3lyp_6-31g(d).nwchem.inp (generated) 000827881.b3lyp_6-31g(d).log.xz 000827881.td-b3lyp_6-31g+(d).inp 000827881.td-b3lyp_6-31g+(d).log.xz

000827881.td-b3lyp_6-31+g(d).qchem.inp (generated)

000827881.td-b3lyp_6-31+g(d).gjf (generated)

000827881.td-b3lyp_6-31+g(d).firefly.inp (generated)

000827881.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000827881.mol 000827881.PUBCHEM 000827881.mol (via Jmol)
000827896.b3lyp_6-31g(d).inp

000827896.b3lyp_6-31g(d).qchem.inp (generated)

000827896.b3lyp_6-31g(d).gjf (generated)

000827896.b3lyp_6-31g(d).firefly.inp (generated)

000827896.b3lyp_6-31g(d).smash.inp (generated)

000827896.b3lyp_6-31g(d).nwchem.inp (generated) 000827896.b3lyp_6-31g(d).log.xz 000827896.td-b3lyp_6-31g+(d).inp 000827896.td-b3lyp_6-31g+(d).log.xz

000827896.td-b3lyp_6-31+g(d).qchem.inp (generated)

000827896.td-b3lyp_6-31+g(d).gjf (generated)

000827896.td-b3lyp_6-31+g(d).firefly.inp (generated)

000827896.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000827896.mol 000827896.PUBCHEM 000827896.mol (via Jmol)
000827899.b3lyp_6-31g(d).inp

000827899.b3lyp_6-31g(d).qchem.inp (generated)

000827899.b3lyp_6-31g(d).gjf (generated)

000827899.b3lyp_6-31g(d).firefly.inp (generated)

000827899.b3lyp_6-31g(d).smash.inp (generated)

000827899.b3lyp_6-31g(d).nwchem.inp (generated) 000827899.b3lyp_6-31g(d).log.xz 000827899.td-b3lyp_6-31g+(d).inp 000827899.td-b3lyp_6-31g+(d).log.xz

000827899.td-b3lyp_6-31+g(d).qchem.inp (generated)

000827899.td-b3lyp_6-31+g(d).gjf (generated)

000827899.td-b3lyp_6-31+g(d).firefly.inp (generated)

000827899.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000827899.mol 000827899.PUBCHEM 000827899.mol (via Jmol)
000827913.b3lyp_6-31g(d).inp

000827913.b3lyp_6-31g(d).qchem.inp (generated)

000827913.b3lyp_6-31g(d).gjf (generated)

000827913.b3lyp_6-31g(d).firefly.inp (generated)

000827913.b3lyp_6-31g(d).smash.inp (generated)

000827913.b3lyp_6-31g(d).nwchem.inp (generated) 000827913.b3lyp_6-31g(d).log.xz 000827913.td-b3lyp_6-31g+(d).inp 000827913.td-b3lyp_6-31g+(d).log.xz

000827913.td-b3lyp_6-31+g(d).qchem.inp (generated)

000827913.td-b3lyp_6-31+g(d).gjf (generated)

000827913.td-b3lyp_6-31+g(d).firefly.inp (generated)

000827913.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000827913.mol 000827913.PUBCHEM 000827913.mol (via Jmol)
000827914.b3lyp_6-31g(d).inp

000827914.b3lyp_6-31g(d).qchem.inp (generated)

000827914.b3lyp_6-31g(d).gjf (generated)

000827914.b3lyp_6-31g(d).firefly.inp (generated)

000827914.b3lyp_6-31g(d).smash.inp (generated)

000827914.b3lyp_6-31g(d).nwchem.inp (generated) 000827914.b3lyp_6-31g(d).log.xz 000827914.mol 000827914.PUBCHEM 000827914.mol (via Jmol)
000827915.b3lyp_6-31g(d).inp

000827915.b3lyp_6-31g(d).qchem.inp (generated)

000827915.b3lyp_6-31g(d).gjf (generated)

000827915.b3lyp_6-31g(d).firefly.inp (generated)

000827915.b3lyp_6-31g(d).smash.inp (generated)

000827915.b3lyp_6-31g(d).nwchem.inp (generated) 000827915.b3lyp_6-31g(d).log.xz 000827915.td-b3lyp_6-31g+(d).inp 000827915.td-b3lyp_6-31g+(d).log.xz

000827915.td-b3lyp_6-31+g(d).qchem.inp (generated)

000827915.td-b3lyp_6-31+g(d).gjf (generated)

000827915.td-b3lyp_6-31+g(d).firefly.inp (generated)

000827915.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000827915.mol 000827915.PUBCHEM 000827915.mol (via Jmol)
000827916.b3lyp_6-31g(d).inp

000827916.b3lyp_6-31g(d).qchem.inp (generated)

000827916.b3lyp_6-31g(d).gjf (generated)

000827916.b3lyp_6-31g(d).firefly.inp (generated)

000827916.b3lyp_6-31g(d).smash.inp (generated)

000827916.b3lyp_6-31g(d).nwchem.inp (generated) 000827916.b3lyp_6-31g(d).log.xz 000827916.td-b3lyp_6-31g+(d).inp 000827916.td-b3lyp_6-31g+(d).log.xz

000827916.td-b3lyp_6-31+g(d).qchem.inp (generated)

000827916.td-b3lyp_6-31+g(d).gjf (generated)

000827916.td-b3lyp_6-31+g(d).firefly.inp (generated)

000827916.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000827916.mol 000827916.PUBCHEM 000827916.mol (via Jmol)
000827917.b3lyp_6-31g(d).inp

000827917.b3lyp_6-31g(d).qchem.inp (generated)

000827917.b3lyp_6-31g(d).gjf (generated)

000827917.b3lyp_6-31g(d).firefly.inp (generated)

000827917.b3lyp_6-31g(d).smash.inp (generated)

000827917.b3lyp_6-31g(d).nwchem.inp (generated) 000827917.b3lyp_6-31g(d).log.xz 000827917.td-b3lyp_6-31g+(d).inp 000827917.td-b3lyp_6-31g+(d).log.xz

000827917.td-b3lyp_6-31+g(d).qchem.inp (generated)

000827917.td-b3lyp_6-31+g(d).gjf (generated)

000827917.td-b3lyp_6-31+g(d).firefly.inp (generated)

000827917.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000827917.mol 000827917.PUBCHEM 000827917.mol (via Jmol)
000827918.b3lyp_6-31g(d).inp

000827918.b3lyp_6-31g(d).qchem.inp (generated)

000827918.b3lyp_6-31g(d).gjf (generated)

000827918.b3lyp_6-31g(d).firefly.inp (generated)

000827918.b3lyp_6-31g(d).smash.inp (generated)

000827918.b3lyp_6-31g(d).nwchem.inp (generated) 000827918.b3lyp_6-31g(d).log.xz 000827918.td-b3lyp_6-31g+(d).inp 000827918.td-b3lyp_6-31g+(d).log.xz

000827918.td-b3lyp_6-31+g(d).qchem.inp (generated)

000827918.td-b3lyp_6-31+g(d).gjf (generated)

000827918.td-b3lyp_6-31+g(d).firefly.inp (generated)

000827918.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000827918.mol 000827918.PUBCHEM 000827918.mol (via Jmol)
000827920.b3lyp_6-31g(d).inp

000827920.b3lyp_6-31g(d).qchem.inp (generated)

000827920.b3lyp_6-31g(d).gjf (generated)

000827920.b3lyp_6-31g(d).firefly.inp (generated)

000827920.b3lyp_6-31g(d).smash.inp (generated)

000827920.b3lyp_6-31g(d).nwchem.inp (generated) 000827920.b3lyp_6-31g(d).log.xz 000827920.mol 000827920.PUBCHEM 000827920.mol (via Jmol)
000827922.b3lyp_6-31g(d).inp

000827922.b3lyp_6-31g(d).qchem.inp (generated)

000827922.b3lyp_6-31g(d).gjf (generated)

000827922.b3lyp_6-31g(d).firefly.inp (generated)

000827922.b3lyp_6-31g(d).smash.inp (generated)

000827922.b3lyp_6-31g(d).nwchem.inp (generated) 000827922.b3lyp_6-31g(d).log.xz 000827922.td-b3lyp_6-31g+(d).inp 000827922.td-b3lyp_6-31g+(d).log.xz

000827922.td-b3lyp_6-31+g(d).qchem.inp (generated)

000827922.td-b3lyp_6-31+g(d).gjf (generated)

000827922.td-b3lyp_6-31+g(d).firefly.inp (generated)

000827922.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000827922.mol 000827922.PUBCHEM 000827922.mol (via Jmol)
000827924.b3lyp_6-31g(d).inp

000827924.b3lyp_6-31g(d).qchem.inp (generated)

000827924.b3lyp_6-31g(d).gjf (generated)

000827924.b3lyp_6-31g(d).firefly.inp (generated)

000827924.b3lyp_6-31g(d).smash.inp (generated)

000827924.b3lyp_6-31g(d).nwchem.inp (generated) 000827924.b3lyp_6-31g(d).log.xz 000827924.td-b3lyp_6-31g+(d).inp 000827924.td-b3lyp_6-31g+(d).log.xz

000827924.td-b3lyp_6-31+g(d).qchem.inp (generated)

000827924.td-b3lyp_6-31+g(d).gjf (generated)

000827924.td-b3lyp_6-31+g(d).firefly.inp (generated)

000827924.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000827924.mol 000827924.PUBCHEM 000827924.mol (via Jmol)
000827931.b3lyp_6-31g(d).inp

000827931.b3lyp_6-31g(d).qchem.inp (generated)

000827931.b3lyp_6-31g(d).gjf (generated)

000827931.b3lyp_6-31g(d).firefly.inp (generated)

000827931.b3lyp_6-31g(d).smash.inp (generated)

000827931.b3lyp_6-31g(d).nwchem.inp (generated) 000827931.b3lyp_6-31g(d).log.xz 000827931.td-b3lyp_6-31g+(d).inp 000827931.td-b3lyp_6-31g+(d).log.xz

000827931.td-b3lyp_6-31+g(d).qchem.inp (generated)

000827931.td-b3lyp_6-31+g(d).gjf (generated)

000827931.td-b3lyp_6-31+g(d).firefly.inp (generated)

000827931.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000827931.mol 000827931.PUBCHEM 000827931.mol (via Jmol)
000827934.b3lyp_6-31g(d).inp

000827934.b3lyp_6-31g(d).qchem.inp (generated)

000827934.b3lyp_6-31g(d).gjf (generated)

000827934.b3lyp_6-31g(d).firefly.inp (generated)

000827934.b3lyp_6-31g(d).smash.inp (generated)

000827934.b3lyp_6-31g(d).nwchem.inp (generated) 000827934.b3lyp_6-31g(d).log.xz 000827934.td-b3lyp_6-31g+(d).inp 000827934.td-b3lyp_6-31g+(d).log.xz

000827934.td-b3lyp_6-31+g(d).qchem.inp (generated)

000827934.td-b3lyp_6-31+g(d).gjf (generated)

000827934.td-b3lyp_6-31+g(d).firefly.inp (generated)

000827934.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000827934.mol 000827934.PUBCHEM 000827934.mol (via Jmol)
000827942.b3lyp_6-31g(d).inp

000827942.b3lyp_6-31g(d).qchem.inp (generated)

000827942.b3lyp_6-31g(d).gjf (generated)

000827942.b3lyp_6-31g(d).firefly.inp (generated)

000827942.b3lyp_6-31g(d).smash.inp (generated)

000827942.b3lyp_6-31g(d).nwchem.inp (generated) 000827942.b3lyp_6-31g(d).log.xz 000827942.td-b3lyp_6-31g+(d).inp 000827942.td-b3lyp_6-31g+(d).log.xz

000827942.td-b3lyp_6-31+g(d).qchem.inp (generated)

000827942.td-b3lyp_6-31+g(d).gjf (generated)

000827942.td-b3lyp_6-31+g(d).firefly.inp (generated)

000827942.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000827942.mol 000827942.PUBCHEM 000827942.mol (via Jmol)
000827943.b3lyp_6-31g(d).inp

000827943.b3lyp_6-31g(d).qchem.inp (generated)

000827943.b3lyp_6-31g(d).gjf (generated)

000827943.b3lyp_6-31g(d).firefly.inp (generated)

000827943.b3lyp_6-31g(d).smash.inp (generated)

000827943.b3lyp_6-31g(d).nwchem.inp (generated) 000827943.b3lyp_6-31g(d).log.xz 000827943.td-b3lyp_6-31g+(d).inp 000827943.td-b3lyp_6-31g+(d).log.xz

000827943.td-b3lyp_6-31+g(d).qchem.inp (generated)

000827943.td-b3lyp_6-31+g(d).gjf (generated)

000827943.td-b3lyp_6-31+g(d).firefly.inp (generated)

000827943.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000827943.mol 000827943.PUBCHEM 000827943.mol (via Jmol)
000827955.b3lyp_6-31g(d).inp

000827955.b3lyp_6-31g(d).qchem.inp (generated)

000827955.b3lyp_6-31g(d).gjf (generated)

000827955.b3lyp_6-31g(d).firefly.inp (generated)

000827955.b3lyp_6-31g(d).smash.inp (generated)

000827955.b3lyp_6-31g(d).nwchem.inp (generated) 000827955.b3lyp_6-31g(d).log.xz 000827955.td-b3lyp_6-31g+(d).inp 000827955.td-b3lyp_6-31g+(d).log.xz

000827955.td-b3lyp_6-31+g(d).qchem.inp (generated)

000827955.td-b3lyp_6-31+g(d).gjf (generated)

000827955.td-b3lyp_6-31+g(d).firefly.inp (generated)

000827955.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000827955.mol 000827955.PUBCHEM 000827955.mol (via Jmol)
000827957.b3lyp_6-31g(d).inp

000827957.b3lyp_6-31g(d).qchem.inp (generated)

000827957.b3lyp_6-31g(d).gjf (generated)

000827957.b3lyp_6-31g(d).firefly.inp (generated)

000827957.b3lyp_6-31g(d).smash.inp (generated)

000827957.b3lyp_6-31g(d).nwchem.inp (generated) 000827957.b3lyp_6-31g(d).log.xz 000827957.td-b3lyp_6-31g+(d).inp 000827957.td-b3lyp_6-31g+(d).log.xz

000827957.td-b3lyp_6-31+g(d).qchem.inp (generated)

000827957.td-b3lyp_6-31+g(d).gjf (generated)

000827957.td-b3lyp_6-31+g(d).firefly.inp (generated)

000827957.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000827957.mol 000827957.PUBCHEM 000827957.mol (via Jmol)
000827959.b3lyp_6-31g(d).inp

000827959.b3lyp_6-31g(d).qchem.inp (generated)

000827959.b3lyp_6-31g(d).gjf (generated)

000827959.b3lyp_6-31g(d).firefly.inp (generated)

000827959.b3lyp_6-31g(d).smash.inp (generated)

000827959.b3lyp_6-31g(d).nwchem.inp (generated) 000827959.b3lyp_6-31g(d).log.xz 000827959.td-b3lyp_6-31g+(d).inp 000827959.td-b3lyp_6-31g+(d).log.xz

000827959.td-b3lyp_6-31+g(d).qchem.inp (generated)

000827959.td-b3lyp_6-31+g(d).gjf (generated)

000827959.td-b3lyp_6-31+g(d).firefly.inp (generated)

000827959.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000827959.mol 000827959.PUBCHEM 000827959.mol (via Jmol)
000827960.b3lyp_6-31g(d).inp

000827960.b3lyp_6-31g(d).qchem.inp (generated)

000827960.b3lyp_6-31g(d).gjf (generated)

000827960.b3lyp_6-31g(d).firefly.inp (generated)

000827960.b3lyp_6-31g(d).smash.inp (generated)

000827960.b3lyp_6-31g(d).nwchem.inp (generated) 000827960.b3lyp_6-31g(d).log.xz 000827960.mol 000827960.PUBCHEM 000827960.mol (via Jmol)
000827961.b3lyp_6-31g(d).inp

000827961.b3lyp_6-31g(d).qchem.inp (generated)

000827961.b3lyp_6-31g(d).gjf (generated)

000827961.b3lyp_6-31g(d).firefly.inp (generated)

000827961.b3lyp_6-31g(d).smash.inp (generated)

000827961.b3lyp_6-31g(d).nwchem.inp (generated) 000827961.b3lyp_6-31g(d).log.xz 000827961.td-b3lyp_6-31g+(d).inp 000827961.td-b3lyp_6-31g+(d).log.xz

000827961.td-b3lyp_6-31+g(d).qchem.inp (generated)

000827961.td-b3lyp_6-31+g(d).gjf (generated)

000827961.td-b3lyp_6-31+g(d).firefly.inp (generated)

000827961.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000827961.mol 000827961.PUBCHEM 000827961.mol (via Jmol)
000827963.b3lyp_6-31g(d).inp

000827963.b3lyp_6-31g(d).qchem.inp (generated)

000827963.b3lyp_6-31g(d).gjf (generated)

000827963.b3lyp_6-31g(d).firefly.inp (generated)

000827963.b3lyp_6-31g(d).smash.inp (generated)

000827963.b3lyp_6-31g(d).nwchem.inp (generated) 000827963.b3lyp_6-31g(d).log.xz 000827963.td-b3lyp_6-31g+(d).inp 000827963.td-b3lyp_6-31g+(d).log.xz

000827963.td-b3lyp_6-31+g(d).qchem.inp (generated)

000827963.td-b3lyp_6-31+g(d).gjf (generated)

000827963.td-b3lyp_6-31+g(d).firefly.inp (generated)

000827963.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000827963.mol 000827963.PUBCHEM 000827963.mol (via Jmol)
000827964.b3lyp_6-31g(d).inp

000827964.b3lyp_6-31g(d).qchem.inp (generated)

000827964.b3lyp_6-31g(d).gjf (generated)

000827964.b3lyp_6-31g(d).firefly.inp (generated)

000827964.b3lyp_6-31g(d).smash.inp (generated)

000827964.b3lyp_6-31g(d).nwchem.inp (generated) 000827964.b3lyp_6-31g(d).log.xz 000827964.td-b3lyp_6-31g+(d).inp 000827964.td-b3lyp_6-31g+(d).log.xz

000827964.td-b3lyp_6-31+g(d).qchem.inp (generated)

000827964.td-b3lyp_6-31+g(d).gjf (generated)

000827964.td-b3lyp_6-31+g(d).firefly.inp (generated)

000827964.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000827964.mol 000827964.PUBCHEM 000827964.mol (via Jmol)
000827975.b3lyp_6-31g(d).inp

000827975.b3lyp_6-31g(d).qchem.inp (generated)

000827975.b3lyp_6-31g(d).gjf (generated)

000827975.b3lyp_6-31g(d).firefly.inp (generated)

000827975.b3lyp_6-31g(d).smash.inp (generated)

000827975.b3lyp_6-31g(d).nwchem.inp (generated) 000827975.b3lyp_6-31g(d).log.xz 000827975.td-b3lyp_6-31g+(d).inp 000827975.td-b3lyp_6-31g+(d).log.xz

000827975.td-b3lyp_6-31+g(d).qchem.inp (generated)

000827975.td-b3lyp_6-31+g(d).gjf (generated)

000827975.td-b3lyp_6-31+g(d).firefly.inp (generated)

000827975.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000827975.mol 000827975.PUBCHEM 000827975.mol (via Jmol)
000827976.b3lyp_6-31g(d).inp

000827976.b3lyp_6-31g(d).qchem.inp (generated)

000827976.b3lyp_6-31g(d).gjf (generated)

000827976.b3lyp_6-31g(d).firefly.inp (generated)

000827976.b3lyp_6-31g(d).smash.inp (generated)

000827976.b3lyp_6-31g(d).nwchem.inp (generated) 000827976.b3lyp_6-31g(d).log.xz 000827976.td-b3lyp_6-31g+(d).inp 000827976.td-b3lyp_6-31g+(d).log.xz

000827976.td-b3lyp_6-31+g(d).qchem.inp (generated)

000827976.td-b3lyp_6-31+g(d).gjf (generated)

000827976.td-b3lyp_6-31+g(d).firefly.inp (generated)

000827976.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000827976.mol 000827976.PUBCHEM 000827976.mol (via Jmol)
000828003.b3lyp_6-31g(d).inp

000828003.b3lyp_6-31g(d).qchem.inp (generated)

000828003.b3lyp_6-31g(d).gjf (generated)

000828003.b3lyp_6-31g(d).firefly.inp (generated)

000828003.b3lyp_6-31g(d).smash.inp (generated)

000828003.b3lyp_6-31g(d).nwchem.inp (generated) 000828003.b3lyp_6-31g(d).log.xz 000828003.td-b3lyp_6-31g+(d).inp 000828003.td-b3lyp_6-31g+(d).log.xz

000828003.td-b3lyp_6-31+g(d).qchem.inp (generated)

000828003.td-b3lyp_6-31+g(d).gjf (generated)

000828003.td-b3lyp_6-31+g(d).firefly.inp (generated)

000828003.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000828003.mol 000828003.PUBCHEM 000828003.mol (via Jmol)
000828011.b3lyp_6-31g(d).inp

000828011.b3lyp_6-31g(d).qchem.inp (generated)

000828011.b3lyp_6-31g(d).gjf (generated)

000828011.b3lyp_6-31g(d).firefly.inp (generated)

000828011.b3lyp_6-31g(d).smash.inp (generated)

000828011.b3lyp_6-31g(d).nwchem.inp (generated) 000828011.b3lyp_6-31g(d).log.xz 000828011.td-b3lyp_6-31g+(d).inp 000828011.td-b3lyp_6-31g+(d).log.xz

000828011.td-b3lyp_6-31+g(d).qchem.inp (generated)

000828011.td-b3lyp_6-31+g(d).gjf (generated)

000828011.td-b3lyp_6-31+g(d).firefly.inp (generated)

000828011.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000828011.mol 000828011.PUBCHEM 000828011.mol (via Jmol)
000828037.b3lyp_6-31g(d).inp

000828037.b3lyp_6-31g(d).qchem.inp (generated)

000828037.b3lyp_6-31g(d).gjf (generated)

000828037.b3lyp_6-31g(d).firefly.inp (generated)

000828037.b3lyp_6-31g(d).smash.inp (generated)

000828037.b3lyp_6-31g(d).nwchem.inp (generated) 000828037.b3lyp_6-31g(d).log.xz 000828037.td-b3lyp_6-31g+(d).inp 000828037.td-b3lyp_6-31g+(d).log.xz

000828037.td-b3lyp_6-31+g(d).qchem.inp (generated)

000828037.td-b3lyp_6-31+g(d).gjf (generated)

000828037.td-b3lyp_6-31+g(d).firefly.inp (generated)

000828037.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000828037.mol 000828037.PUBCHEM 000828037.mol (via Jmol)
000828038.b3lyp_6-31g(d).inp

000828038.b3lyp_6-31g(d).qchem.inp (generated)

000828038.b3lyp_6-31g(d).gjf (generated)

000828038.b3lyp_6-31g(d).firefly.inp (generated)

000828038.b3lyp_6-31g(d).smash.inp (generated)

000828038.b3lyp_6-31g(d).nwchem.inp (generated) 000828038.b3lyp_6-31g(d).log.xz 000828038.td-b3lyp_6-31g+(d).inp 000828038.td-b3lyp_6-31g+(d).log.xz

000828038.td-b3lyp_6-31+g(d).qchem.inp (generated)

000828038.td-b3lyp_6-31+g(d).gjf (generated)

000828038.td-b3lyp_6-31+g(d).firefly.inp (generated)

000828038.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000828038.mol 000828038.PUBCHEM 000828038.mol (via Jmol)
000828040.b3lyp_6-31g(d).inp

000828040.b3lyp_6-31g(d).qchem.inp (generated)

000828040.b3lyp_6-31g(d).gjf (generated)

000828040.b3lyp_6-31g(d).firefly.inp (generated)

000828040.b3lyp_6-31g(d).smash.inp (generated)

000828040.b3lyp_6-31g(d).nwchem.inp (generated) 000828040.b3lyp_6-31g(d).log.xz 000828040.td-b3lyp_6-31g+(d).inp 000828040.td-b3lyp_6-31g+(d).log.xz

000828040.td-b3lyp_6-31+g(d).qchem.inp (generated)

000828040.td-b3lyp_6-31+g(d).gjf (generated)

000828040.td-b3lyp_6-31+g(d).firefly.inp (generated)

000828040.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000828040.mol 000828040.PUBCHEM 000828040.mol (via Jmol)
000828041.b3lyp_6-31g(d).inp

000828041.b3lyp_6-31g(d).qchem.inp (generated)

000828041.b3lyp_6-31g(d).gjf (generated)

000828041.b3lyp_6-31g(d).firefly.inp (generated)

000828041.b3lyp_6-31g(d).smash.inp (generated)

000828041.b3lyp_6-31g(d).nwchem.inp (generated) 000828041.b3lyp_6-31g(d).log.xz 000828041.td-b3lyp_6-31g+(d).inp 000828041.td-b3lyp_6-31g+(d).log.xz

000828041.td-b3lyp_6-31+g(d).qchem.inp (generated)

000828041.td-b3lyp_6-31+g(d).gjf (generated)

000828041.td-b3lyp_6-31+g(d).firefly.inp (generated)

000828041.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000828041.mol 000828041.PUBCHEM 000828041.mol (via Jmol)
000828043.b3lyp_6-31g(d).inp

000828043.b3lyp_6-31g(d).qchem.inp (generated)

000828043.b3lyp_6-31g(d).gjf (generated)

000828043.b3lyp_6-31g(d).firefly.inp (generated)

000828043.b3lyp_6-31g(d).smash.inp (generated)

000828043.b3lyp_6-31g(d).nwchem.inp (generated) 000828043.b3lyp_6-31g(d).log.xz 000828043.td-b3lyp_6-31g+(d).inp 000828043.td-b3lyp_6-31g+(d).log.xz

000828043.td-b3lyp_6-31+g(d).qchem.inp (generated)

000828043.td-b3lyp_6-31+g(d).gjf (generated)

000828043.td-b3lyp_6-31+g(d).firefly.inp (generated)

000828043.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000828043.mol 000828043.PUBCHEM 000828043.mol (via Jmol)
000828045.b3lyp_6-31g(d).inp

000828045.b3lyp_6-31g(d).qchem.inp (generated)

000828045.b3lyp_6-31g(d).gjf (generated)

000828045.b3lyp_6-31g(d).firefly.inp (generated)

000828045.b3lyp_6-31g(d).smash.inp (generated)

000828045.b3lyp_6-31g(d).nwchem.inp (generated) 000828045.b3lyp_6-31g(d).log.xz 000828045.td-b3lyp_6-31g+(d).inp 000828045.td-b3lyp_6-31g+(d).log.xz

000828045.td-b3lyp_6-31+g(d).qchem.inp (generated)

000828045.td-b3lyp_6-31+g(d).gjf (generated)

000828045.td-b3lyp_6-31+g(d).firefly.inp (generated)

000828045.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000828045.mol 000828045.PUBCHEM 000828045.mol (via Jmol)
000828047.b3lyp_6-31g(d).inp

000828047.b3lyp_6-31g(d).qchem.inp (generated)

000828047.b3lyp_6-31g(d).gjf (generated)

000828047.b3lyp_6-31g(d).firefly.inp (generated)

000828047.b3lyp_6-31g(d).smash.inp (generated)

000828047.b3lyp_6-31g(d).nwchem.inp (generated) 000828047.b3lyp_6-31g(d).log.xz 000828047.td-b3lyp_6-31g+(d).inp 000828047.td-b3lyp_6-31g+(d).log.xz

000828047.td-b3lyp_6-31+g(d).qchem.inp (generated)

000828047.td-b3lyp_6-31+g(d).gjf (generated)

000828047.td-b3lyp_6-31+g(d).firefly.inp (generated)

000828047.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000828047.mol 000828047.PUBCHEM 000828047.mol (via Jmol)
000828049.b3lyp_6-31g(d).inp

000828049.b3lyp_6-31g(d).qchem.inp (generated)

000828049.b3lyp_6-31g(d).gjf (generated)

000828049.b3lyp_6-31g(d).firefly.inp (generated)

000828049.b3lyp_6-31g(d).smash.inp (generated)

000828049.b3lyp_6-31g(d).nwchem.inp (generated) 000828049.b3lyp_6-31g(d).log.xz 000828049.td-b3lyp_6-31g+(d).inp 000828049.td-b3lyp_6-31g+(d).log.xz

000828049.td-b3lyp_6-31+g(d).qchem.inp (generated)

000828049.td-b3lyp_6-31+g(d).gjf (generated)

000828049.td-b3lyp_6-31+g(d).firefly.inp (generated)

000828049.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000828049.mol 000828049.PUBCHEM 000828049.mol (via Jmol)
000828066.b3lyp_6-31g(d).inp

000828066.b3lyp_6-31g(d).qchem.inp (generated)

000828066.b3lyp_6-31g(d).gjf (generated)

000828066.b3lyp_6-31g(d).firefly.inp (generated)

000828066.b3lyp_6-31g(d).smash.inp (generated)

000828066.b3lyp_6-31g(d).nwchem.inp (generated) 000828066.b3lyp_6-31g(d).log.xz 000828066.td-b3lyp_6-31g+(d).inp 000828066.td-b3lyp_6-31g+(d).log.xz

000828066.td-b3lyp_6-31+g(d).qchem.inp (generated)

000828066.td-b3lyp_6-31+g(d).gjf (generated)

000828066.td-b3lyp_6-31+g(d).firefly.inp (generated)

000828066.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000828066.mol 000828066.PUBCHEM 000828066.mol (via Jmol)
000828068.b3lyp_6-31g(d).inp

000828068.b3lyp_6-31g(d).qchem.inp (generated)

000828068.b3lyp_6-31g(d).gjf (generated)

000828068.b3lyp_6-31g(d).firefly.inp (generated)

000828068.b3lyp_6-31g(d).smash.inp (generated)

000828068.b3lyp_6-31g(d).nwchem.inp (generated) 000828068.b3lyp_6-31g(d).log.xz 000828068.td-b3lyp_6-31g+(d).inp 000828068.td-b3lyp_6-31g+(d).log.xz

000828068.td-b3lyp_6-31+g(d).qchem.inp (generated)

000828068.td-b3lyp_6-31+g(d).gjf (generated)

000828068.td-b3lyp_6-31+g(d).firefly.inp (generated)

000828068.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000828068.mol 000828068.PUBCHEM 000828068.mol (via Jmol)
000828069.b3lyp_6-31g(d).inp

000828069.b3lyp_6-31g(d).qchem.inp (generated)

000828069.b3lyp_6-31g(d).gjf (generated)

000828069.b3lyp_6-31g(d).firefly.inp (generated)

000828069.b3lyp_6-31g(d).smash.inp (generated)

000828069.b3lyp_6-31g(d).nwchem.inp (generated) 000828069.b3lyp_6-31g(d).log.xz 000828069.td-b3lyp_6-31g+(d).inp 000828069.td-b3lyp_6-31g+(d).log.xz

000828069.td-b3lyp_6-31+g(d).qchem.inp (generated)

000828069.td-b3lyp_6-31+g(d).gjf (generated)

000828069.td-b3lyp_6-31+g(d).firefly.inp (generated)

000828069.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000828069.mol 000828069.PUBCHEM 000828069.mol (via Jmol)
000828084.b3lyp_6-31g(d).inp

000828084.b3lyp_6-31g(d).qchem.inp (generated)

000828084.b3lyp_6-31g(d).gjf (generated)

000828084.b3lyp_6-31g(d).firefly.inp (generated)

000828084.b3lyp_6-31g(d).smash.inp (generated)

000828084.b3lyp_6-31g(d).nwchem.inp (generated) 000828084.b3lyp_6-31g(d).log.xz 000828084.td-b3lyp_6-31g+(d).inp 000828084.td-b3lyp_6-31g+(d).log.xz

000828084.td-b3lyp_6-31+g(d).qchem.inp (generated)

000828084.td-b3lyp_6-31+g(d).gjf (generated)

000828084.td-b3lyp_6-31+g(d).firefly.inp (generated)

000828084.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000828084.mol 000828084.PUBCHEM 000828084.mol (via Jmol)
000828094.b3lyp_6-31g(d).inp

000828094.b3lyp_6-31g(d).qchem.inp (generated)

000828094.b3lyp_6-31g(d).gjf (generated)

000828094.b3lyp_6-31g(d).firefly.inp (generated)

000828094.b3lyp_6-31g(d).smash.inp (generated)

000828094.b3lyp_6-31g(d).nwchem.inp (generated) 000828094.b3lyp_6-31g(d).log.xz 000828094.td-b3lyp_6-31g+(d).inp 000828094.td-b3lyp_6-31g+(d).log.xz

000828094.td-b3lyp_6-31+g(d).qchem.inp (generated)

000828094.td-b3lyp_6-31+g(d).gjf (generated)

000828094.td-b3lyp_6-31+g(d).firefly.inp (generated)

000828094.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000828094.mol 000828094.PUBCHEM 000828094.mol (via Jmol)
000828110.b3lyp_6-31g(d).inp

000828110.b3lyp_6-31g(d).qchem.inp (generated)

000828110.b3lyp_6-31g(d).gjf (generated)

000828110.b3lyp_6-31g(d).firefly.inp (generated)

000828110.b3lyp_6-31g(d).smash.inp (generated)

000828110.b3lyp_6-31g(d).nwchem.inp (generated) 000828110.b3lyp_6-31g(d).log.xz 000828110.td-b3lyp_6-31g+(d).inp 000828110.td-b3lyp_6-31g+(d).log.xz

000828110.td-b3lyp_6-31+g(d).qchem.inp (generated)

000828110.td-b3lyp_6-31+g(d).gjf (generated)

000828110.td-b3lyp_6-31+g(d).firefly.inp (generated)

000828110.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000828110.mol 000828110.PUBCHEM 000828110.mol (via Jmol)
000828115.b3lyp_6-31g(d).inp

000828115.b3lyp_6-31g(d).qchem.inp (generated)

000828115.b3lyp_6-31g(d).gjf (generated)

000828115.b3lyp_6-31g(d).firefly.inp (generated)

000828115.b3lyp_6-31g(d).smash.inp (generated)

000828115.b3lyp_6-31g(d).nwchem.inp (generated) 000828115.b3lyp_6-31g(d).log.xz 000828115.td-b3lyp_6-31g+(d).inp 000828115.td-b3lyp_6-31g+(d).log.xz

000828115.td-b3lyp_6-31+g(d).qchem.inp (generated)

000828115.td-b3lyp_6-31+g(d).gjf (generated)

000828115.td-b3lyp_6-31+g(d).firefly.inp (generated)

000828115.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000828115.mol 000828115.PUBCHEM 000828115.mol (via Jmol)
000828132.b3lyp_6-31g(d).inp

000828132.b3lyp_6-31g(d).qchem.inp (generated)

000828132.b3lyp_6-31g(d).gjf (generated)

000828132.b3lyp_6-31g(d).firefly.inp (generated)

000828132.b3lyp_6-31g(d).smash.inp (generated)

000828132.b3lyp_6-31g(d).nwchem.inp (generated) 000828132.b3lyp_6-31g(d).log.xz 000828132.td-b3lyp_6-31g+(d).inp 000828132.td-b3lyp_6-31g+(d).log.xz

000828132.td-b3lyp_6-31+g(d).qchem.inp (generated)

000828132.td-b3lyp_6-31+g(d).gjf (generated)

000828132.td-b3lyp_6-31+g(d).firefly.inp (generated)

000828132.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000828132.mol 000828132.PUBCHEM 000828132.mol (via Jmol)
000828139.b3lyp_6-31g(d).inp

000828139.b3lyp_6-31g(d).qchem.inp (generated)

000828139.b3lyp_6-31g(d).gjf (generated)

000828139.b3lyp_6-31g(d).firefly.inp (generated)

000828139.b3lyp_6-31g(d).smash.inp (generated)

000828139.b3lyp_6-31g(d).nwchem.inp (generated) 000828139.b3lyp_6-31g(d).log.xz 000828139.td-b3lyp_6-31g+(d).inp 000828139.td-b3lyp_6-31g+(d).log.xz

000828139.td-b3lyp_6-31+g(d).qchem.inp (generated)

000828139.td-b3lyp_6-31+g(d).gjf (generated)

000828139.td-b3lyp_6-31+g(d).firefly.inp (generated)

000828139.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000828139.mol 000828139.PUBCHEM 000828139.mol (via Jmol)
000828153.b3lyp_6-31g(d).inp

000828153.b3lyp_6-31g(d).qchem.inp (generated)

000828153.b3lyp_6-31g(d).gjf (generated)

000828153.b3lyp_6-31g(d).firefly.inp (generated)

000828153.b3lyp_6-31g(d).smash.inp (generated)

000828153.b3lyp_6-31g(d).nwchem.inp (generated) 000828153.b3lyp_6-31g(d).log.xz 000828153.td-b3lyp_6-31g+(d).inp 000828153.td-b3lyp_6-31g+(d).log.xz

000828153.td-b3lyp_6-31+g(d).qchem.inp (generated)

000828153.td-b3lyp_6-31+g(d).gjf (generated)

000828153.td-b3lyp_6-31+g(d).firefly.inp (generated)

000828153.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000828153.mol 000828153.PUBCHEM 000828153.mol (via Jmol)
000828158.b3lyp_6-31g(d).inp

000828158.b3lyp_6-31g(d).qchem.inp (generated)

000828158.b3lyp_6-31g(d).gjf (generated)

000828158.b3lyp_6-31g(d).firefly.inp (generated)

000828158.b3lyp_6-31g(d).smash.inp (generated)

000828158.b3lyp_6-31g(d).nwchem.inp (generated) 000828158.b3lyp_6-31g(d).log.xz 000828158.td-b3lyp_6-31g+(d).inp 000828158.td-b3lyp_6-31g+(d).log.xz

000828158.td-b3lyp_6-31+g(d).qchem.inp (generated)

000828158.td-b3lyp_6-31+g(d).gjf (generated)

000828158.td-b3lyp_6-31+g(d).firefly.inp (generated)

000828158.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000828158.mol 000828158.PUBCHEM 000828158.mol (via Jmol)
000828162.b3lyp_6-31g(d).inp

000828162.b3lyp_6-31g(d).qchem.inp (generated)

000828162.b3lyp_6-31g(d).gjf (generated)

000828162.b3lyp_6-31g(d).firefly.inp (generated)

000828162.b3lyp_6-31g(d).smash.inp (generated)

000828162.b3lyp_6-31g(d).nwchem.inp (generated) 000828162.b3lyp_6-31g(d).log.xz 000828162.td-b3lyp_6-31g+(d).inp 000828162.td-b3lyp_6-31g+(d).log.xz

000828162.td-b3lyp_6-31+g(d).qchem.inp (generated)

000828162.td-b3lyp_6-31+g(d).gjf (generated)

000828162.td-b3lyp_6-31+g(d).firefly.inp (generated)

000828162.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000828162.mol 000828162.PUBCHEM 000828162.mol (via Jmol)
000828184.b3lyp_6-31g(d).inp

000828184.b3lyp_6-31g(d).qchem.inp (generated)

000828184.b3lyp_6-31g(d).gjf (generated)

000828184.b3lyp_6-31g(d).firefly.inp (generated)

000828184.b3lyp_6-31g(d).smash.inp (generated)

000828184.b3lyp_6-31g(d).nwchem.inp (generated) 000828184.b3lyp_6-31g(d).log.xz 000828184.mol 000828184.PUBCHEM 000828184.mol (via Jmol)
000828189.b3lyp_6-31g(d).inp

000828189.b3lyp_6-31g(d).qchem.inp (generated)

000828189.b3lyp_6-31g(d).gjf (generated)

000828189.b3lyp_6-31g(d).firefly.inp (generated)

000828189.b3lyp_6-31g(d).smash.inp (generated)

000828189.b3lyp_6-31g(d).nwchem.inp (generated) 000828189.b3lyp_6-31g(d).log.xz 000828189.td-b3lyp_6-31g+(d).inp 000828189.td-b3lyp_6-31g+(d).log.xz

000828189.td-b3lyp_6-31+g(d).qchem.inp (generated)

000828189.td-b3lyp_6-31+g(d).gjf (generated)

000828189.td-b3lyp_6-31+g(d).firefly.inp (generated)

000828189.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000828189.mol 000828189.PUBCHEM 000828189.mol (via Jmol)
000828190.b3lyp_6-31g(d).inp

000828190.b3lyp_6-31g(d).qchem.inp (generated)

000828190.b3lyp_6-31g(d).gjf (generated)

000828190.b3lyp_6-31g(d).firefly.inp (generated)

000828190.b3lyp_6-31g(d).smash.inp (generated)

000828190.b3lyp_6-31g(d).nwchem.inp (generated) 000828190.b3lyp_6-31g(d).log.xz 000828190.td-b3lyp_6-31g+(d).inp 000828190.td-b3lyp_6-31g+(d).log.xz

000828190.td-b3lyp_6-31+g(d).qchem.inp (generated)

000828190.td-b3lyp_6-31+g(d).gjf (generated)

000828190.td-b3lyp_6-31+g(d).firefly.inp (generated)

000828190.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000828190.mol 000828190.PUBCHEM 000828190.mol (via Jmol)
000828263.b3lyp_6-31g(d).inp

000828263.b3lyp_6-31g(d).qchem.inp (generated)

000828263.b3lyp_6-31g(d).gjf (generated)

000828263.b3lyp_6-31g(d).firefly.inp (generated)

000828263.b3lyp_6-31g(d).smash.inp (generated)

000828263.b3lyp_6-31g(d).nwchem.inp (generated) 000828263.b3lyp_6-31g(d).log.xz 000828263.td-b3lyp_6-31g+(d).inp 000828263.td-b3lyp_6-31g+(d).log.xz

000828263.td-b3lyp_6-31+g(d).qchem.inp (generated)

000828263.td-b3lyp_6-31+g(d).gjf (generated)

000828263.td-b3lyp_6-31+g(d).firefly.inp (generated)

000828263.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000828263.mol 000828263.PUBCHEM 000828263.mol (via Jmol)
000828269.b3lyp_6-31g(d).inp

000828269.b3lyp_6-31g(d).qchem.inp (generated)

000828269.b3lyp_6-31g(d).gjf (generated)

000828269.b3lyp_6-31g(d).firefly.inp (generated)

000828269.b3lyp_6-31g(d).smash.inp (generated)

000828269.b3lyp_6-31g(d).nwchem.inp (generated) 000828269.b3lyp_6-31g(d).log.xz 000828269.td-b3lyp_6-31g+(d).inp 000828269.td-b3lyp_6-31g+(d).log.xz

000828269.td-b3lyp_6-31+g(d).qchem.inp (generated)

000828269.td-b3lyp_6-31+g(d).gjf (generated)

000828269.td-b3lyp_6-31+g(d).firefly.inp (generated)

000828269.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000828269.mol 000828269.PUBCHEM 000828269.mol (via Jmol)
000828279.b3lyp_6-31g(d).inp

000828279.b3lyp_6-31g(d).qchem.inp (generated)

000828279.b3lyp_6-31g(d).gjf (generated)

000828279.b3lyp_6-31g(d).firefly.inp (generated)

000828279.b3lyp_6-31g(d).smash.inp (generated)

000828279.b3lyp_6-31g(d).nwchem.inp (generated) 000828279.b3lyp_6-31g(d).log.xz 000828279.td-b3lyp_6-31g+(d).inp 000828279.td-b3lyp_6-31g+(d).log.xz

000828279.td-b3lyp_6-31+g(d).qchem.inp (generated)

000828279.td-b3lyp_6-31+g(d).gjf (generated)

000828279.td-b3lyp_6-31+g(d).firefly.inp (generated)

000828279.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000828279.mol 000828279.PUBCHEM 000828279.mol (via Jmol)
000828285.b3lyp_6-31g(d).inp

000828285.b3lyp_6-31g(d).qchem.inp (generated)

000828285.b3lyp_6-31g(d).gjf (generated)

000828285.b3lyp_6-31g(d).firefly.inp (generated)

000828285.b3lyp_6-31g(d).smash.inp (generated)

000828285.b3lyp_6-31g(d).nwchem.inp (generated) 000828285.b3lyp_6-31g(d).log.xz 000828285.td-b3lyp_6-31g+(d).inp 000828285.td-b3lyp_6-31g+(d).log.xz

000828285.td-b3lyp_6-31+g(d).qchem.inp (generated)

000828285.td-b3lyp_6-31+g(d).gjf (generated)

000828285.td-b3lyp_6-31+g(d).firefly.inp (generated)

000828285.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000828285.mol 000828285.PUBCHEM 000828285.mol (via Jmol)
000828301.b3lyp_6-31g(d).inp

000828301.b3lyp_6-31g(d).qchem.inp (generated)

000828301.b3lyp_6-31g(d).gjf (generated)

000828301.b3lyp_6-31g(d).firefly.inp (generated)

000828301.b3lyp_6-31g(d).smash.inp (generated)

000828301.b3lyp_6-31g(d).nwchem.inp (generated) 000828301.b3lyp_6-31g(d).log.xz 000828301.td-b3lyp_6-31g+(d).inp 000828301.td-b3lyp_6-31g+(d).log.xz

000828301.td-b3lyp_6-31+g(d).qchem.inp (generated)

000828301.td-b3lyp_6-31+g(d).gjf (generated)

000828301.td-b3lyp_6-31+g(d).firefly.inp (generated)

000828301.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000828301.mol 000828301.PUBCHEM 000828301.mol (via Jmol)
000828302.b3lyp_6-31g(d).inp

000828302.b3lyp_6-31g(d).qchem.inp (generated)

000828302.b3lyp_6-31g(d).gjf (generated)

000828302.b3lyp_6-31g(d).firefly.inp (generated)

000828302.b3lyp_6-31g(d).smash.inp (generated)

000828302.b3lyp_6-31g(d).nwchem.inp (generated) 000828302.b3lyp_6-31g(d).log.xz 000828302.td-b3lyp_6-31g+(d).inp 000828302.td-b3lyp_6-31g+(d).log.xz

000828302.td-b3lyp_6-31+g(d).qchem.inp (generated)

000828302.td-b3lyp_6-31+g(d).gjf (generated)

000828302.td-b3lyp_6-31+g(d).firefly.inp (generated)

000828302.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000828302.mol 000828302.PUBCHEM 000828302.mol (via Jmol)
000828303.b3lyp_6-31g(d).inp

000828303.b3lyp_6-31g(d).qchem.inp (generated)

000828303.b3lyp_6-31g(d).gjf (generated)

000828303.b3lyp_6-31g(d).firefly.inp (generated)

000828303.b3lyp_6-31g(d).smash.inp (generated)

000828303.b3lyp_6-31g(d).nwchem.inp (generated) 000828303.b3lyp_6-31g(d).log.xz 000828303.td-b3lyp_6-31g+(d).inp 000828303.td-b3lyp_6-31g+(d).log.xz

000828303.td-b3lyp_6-31+g(d).qchem.inp (generated)

000828303.td-b3lyp_6-31+g(d).gjf (generated)

000828303.td-b3lyp_6-31+g(d).firefly.inp (generated)

000828303.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000828303.mol 000828303.PUBCHEM 000828303.mol (via Jmol)
000828363.b3lyp_6-31g(d).inp

000828363.b3lyp_6-31g(d).qchem.inp (generated)

000828363.b3lyp_6-31g(d).gjf (generated)

000828363.b3lyp_6-31g(d).firefly.inp (generated)

000828363.b3lyp_6-31g(d).smash.inp (generated)

000828363.b3lyp_6-31g(d).nwchem.inp (generated) 000828363.b3lyp_6-31g(d).log.xz 000828363.td-b3lyp_6-31g+(d).inp 000828363.td-b3lyp_6-31g+(d).log.xz

000828363.td-b3lyp_6-31+g(d).qchem.inp (generated)

000828363.td-b3lyp_6-31+g(d).gjf (generated)

000828363.td-b3lyp_6-31+g(d).firefly.inp (generated)

000828363.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000828363.mol 000828363.PUBCHEM 000828363.mol (via Jmol)
000828378.b3lyp_6-31g(d).inp

000828378.b3lyp_6-31g(d).qchem.inp (generated)