Index of

Last updated : Thu May 18 02:15:23 JST 2017
Total : 376 (318) in this page
045250110.b3lyp_6-31g(d).inp

045250110.b3lyp_6-31g(d).qchem.inp (generated)

045250110.b3lyp_6-31g(d).gjf (generated)

045250110.b3lyp_6-31g(d).firefly.inp (generated)

045250110.b3lyp_6-31g(d).smash.inp (generated)

045250110.b3lyp_6-31g(d).nwchem.inp (generated) 045250110.b3lyp_6-31g(d).log.xz 045250110.td-b3lyp_6-31g+(d).inp 045250110.td-b3lyp_6-31g+(d).log.xz

045250110.td-b3lyp_6-31+g(d).qchem.inp (generated)

045250110.td-b3lyp_6-31+g(d).gjf (generated)

045250110.td-b3lyp_6-31+g(d).firefly.inp (generated)

045250110.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045250110.mol 045250110.PUBCHEM 045250110.mol (via Jmol)
045250154.b3lyp_6-31g(d).inp

045250154.b3lyp_6-31g(d).qchem.inp (generated)

045250154.b3lyp_6-31g(d).gjf (generated)

045250154.b3lyp_6-31g(d).firefly.inp (generated)

045250154.b3lyp_6-31g(d).smash.inp (generated)

045250154.b3lyp_6-31g(d).nwchem.inp (generated) 045250154.b3lyp_6-31g(d).log.xz 045250154.td-b3lyp_6-31g+(d).inp 045250154.td-b3lyp_6-31g+(d).log.xz

045250154.td-b3lyp_6-31+g(d).qchem.inp (generated)

045250154.td-b3lyp_6-31+g(d).gjf (generated)

045250154.td-b3lyp_6-31+g(d).firefly.inp (generated)

045250154.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045250154.mol 045250154.PUBCHEM 045250154.mol (via Jmol)
045250207.b3lyp_6-31g(d).inp

045250207.b3lyp_6-31g(d).qchem.inp (generated)

045250207.b3lyp_6-31g(d).gjf (generated)

045250207.b3lyp_6-31g(d).firefly.inp (generated)

045250207.b3lyp_6-31g(d).smash.inp (generated)

045250207.b3lyp_6-31g(d).nwchem.inp (generated) 045250207.b3lyp_6-31g(d).log.xz 045250207.td-b3lyp_6-31g+(d).inp 045250207.td-b3lyp_6-31g+(d).log.xz

045250207.td-b3lyp_6-31+g(d).qchem.inp (generated)

045250207.td-b3lyp_6-31+g(d).gjf (generated)

045250207.td-b3lyp_6-31+g(d).firefly.inp (generated)

045250207.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045250207.mol 045250207.PUBCHEM 045250207.mol (via Jmol)
045250487.b3lyp_6-31g(d).inp

045250487.b3lyp_6-31g(d).qchem.inp (generated)

045250487.b3lyp_6-31g(d).gjf (generated)

045250487.b3lyp_6-31g(d).firefly.inp (generated)

045250487.b3lyp_6-31g(d).smash.inp (generated)

045250487.b3lyp_6-31g(d).nwchem.inp (generated) 045250487.b3lyp_6-31g(d).log.xz 045250487.td-b3lyp_6-31g+(d).inp 045250487.td-b3lyp_6-31g+(d).log.xz

045250487.td-b3lyp_6-31+g(d).qchem.inp (generated)

045250487.td-b3lyp_6-31+g(d).gjf (generated)

045250487.td-b3lyp_6-31+g(d).firefly.inp (generated)

045250487.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045250487.mol 045250487.PUBCHEM 045250487.mol (via Jmol)
045251614.b3lyp_6-31g(d).inp

045251614.b3lyp_6-31g(d).qchem.inp (generated)

045251614.b3lyp_6-31g(d).gjf (generated)

045251614.b3lyp_6-31g(d).firefly.inp (generated)

045251614.b3lyp_6-31g(d).smash.inp (generated)

045251614.b3lyp_6-31g(d).nwchem.inp (generated) 045251614.b3lyp_6-31g(d).log.xz 045251614.td-b3lyp_6-31g+(d).inp 045251614.td-b3lyp_6-31g+(d).log.xz

045251614.td-b3lyp_6-31+g(d).qchem.inp (generated)

045251614.td-b3lyp_6-31+g(d).gjf (generated)

045251614.td-b3lyp_6-31+g(d).firefly.inp (generated)

045251614.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045251614.mol 045251614.PUBCHEM 045251614.mol (via Jmol)
045252252.b3lyp_6-31g(d).inp

045252252.b3lyp_6-31g(d).qchem.inp (generated)

045252252.b3lyp_6-31g(d).gjf (generated)

045252252.b3lyp_6-31g(d).firefly.inp (generated)

045252252.b3lyp_6-31g(d).smash.inp (generated)

045252252.b3lyp_6-31g(d).nwchem.inp (generated) 045252252.b3lyp_6-31g(d).log.xz 045252252.td-b3lyp_6-31g+(d).inp 045252252.td-b3lyp_6-31g+(d).log.xz

045252252.td-b3lyp_6-31+g(d).qchem.inp (generated)

045252252.td-b3lyp_6-31+g(d).gjf (generated)

045252252.td-b3lyp_6-31+g(d).firefly.inp (generated)

045252252.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045252252.mol 045252252.PUBCHEM 045252252.mol (via Jmol)
045252625.b3lyp_6-31g(d).inp

045252625.b3lyp_6-31g(d).qchem.inp (generated)

045252625.b3lyp_6-31g(d).gjf (generated)

045252625.b3lyp_6-31g(d).firefly.inp (generated)

045252625.b3lyp_6-31g(d).smash.inp (generated)

045252625.b3lyp_6-31g(d).nwchem.inp (generated) 045252625.b3lyp_6-31g(d).log.xz 045252625.td-b3lyp_6-31g+(d).inp 045252625.td-b3lyp_6-31g+(d).log.xz

045252625.td-b3lyp_6-31+g(d).qchem.inp (generated)

045252625.td-b3lyp_6-31+g(d).gjf (generated)

045252625.td-b3lyp_6-31+g(d).firefly.inp (generated)

045252625.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045252625.mol 045252625.PUBCHEM 045252625.mol (via Jmol)
045253359.b3lyp_6-31g(d).inp

045253359.b3lyp_6-31g(d).qchem.inp (generated)

045253359.b3lyp_6-31g(d).gjf (generated)

045253359.b3lyp_6-31g(d).firefly.inp (generated)

045253359.b3lyp_6-31g(d).smash.inp (generated)

045253359.b3lyp_6-31g(d).nwchem.inp (generated) 045253359.b3lyp_6-31g(d).log.xz 045253359.td-b3lyp_6-31g+(d).inp 045253359.td-b3lyp_6-31g+(d).log.xz

045253359.td-b3lyp_6-31+g(d).qchem.inp (generated)

045253359.td-b3lyp_6-31+g(d).gjf (generated)

045253359.td-b3lyp_6-31+g(d).firefly.inp (generated)

045253359.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045253359.mol 045253359.PUBCHEM 045253359.mol (via Jmol)
045253453.b3lyp_6-31g(d).inp

045253453.b3lyp_6-31g(d).qchem.inp (generated)

045253453.b3lyp_6-31g(d).gjf (generated)

045253453.b3lyp_6-31g(d).firefly.inp (generated)

045253453.b3lyp_6-31g(d).smash.inp (generated)

045253453.b3lyp_6-31g(d).nwchem.inp (generated) 045253453.b3lyp_6-31g(d).log.xz 045253453.mol 045253453.PUBCHEM 045253453.mol (via Jmol)
045253514.b3lyp_6-31g(d).inp

045253514.b3lyp_6-31g(d).qchem.inp (generated)

045253514.b3lyp_6-31g(d).gjf (generated)

045253514.b3lyp_6-31g(d).firefly.inp (generated)

045253514.b3lyp_6-31g(d).smash.inp (generated)

045253514.b3lyp_6-31g(d).nwchem.inp (generated) 045253514.b3lyp_6-31g(d).log.xz 045253514.td-b3lyp_6-31g+(d).inp 045253514.td-b3lyp_6-31g+(d).log.xz

045253514.td-b3lyp_6-31+g(d).qchem.inp (generated)

045253514.td-b3lyp_6-31+g(d).gjf (generated)

045253514.td-b3lyp_6-31+g(d).firefly.inp (generated)

045253514.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045253514.mol 045253514.PUBCHEM 045253514.mol (via Jmol)
045253566.b3lyp_6-31g(d).inp

045253566.b3lyp_6-31g(d).qchem.inp (generated)

045253566.b3lyp_6-31g(d).gjf (generated)

045253566.b3lyp_6-31g(d).firefly.inp (generated)

045253566.b3lyp_6-31g(d).smash.inp (generated)

045253566.b3lyp_6-31g(d).nwchem.inp (generated) 045253566.b3lyp_6-31g(d).log.xz 045253566.mol 045253566.PUBCHEM 045253566.mol (via Jmol)
045253590.b3lyp_6-31g(d).inp

045253590.b3lyp_6-31g(d).qchem.inp (generated)

045253590.b3lyp_6-31g(d).gjf (generated)

045253590.b3lyp_6-31g(d).firefly.inp (generated)

045253590.b3lyp_6-31g(d).smash.inp (generated)

045253590.b3lyp_6-31g(d).nwchem.inp (generated) 045253590.b3lyp_6-31g(d).log.xz 045253590.td-b3lyp_6-31g+(d).inp 045253590.td-b3lyp_6-31g+(d).log.xz

045253590.td-b3lyp_6-31+g(d).qchem.inp (generated)

045253590.td-b3lyp_6-31+g(d).gjf (generated)

045253590.td-b3lyp_6-31+g(d).firefly.inp (generated)

045253590.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045253590.mol 045253590.PUBCHEM 045253590.mol (via Jmol)
045253660.b3lyp_6-31g(d).inp

045253660.b3lyp_6-31g(d).qchem.inp (generated)

045253660.b3lyp_6-31g(d).gjf (generated)

045253660.b3lyp_6-31g(d).firefly.inp (generated)

045253660.b3lyp_6-31g(d).smash.inp (generated)

045253660.b3lyp_6-31g(d).nwchem.inp (generated) 045253660.b3lyp_6-31g(d).log.xz 045253660.mol 045253660.PUBCHEM 045253660.mol (via Jmol)
045253770.b3lyp_6-31g(d).inp

045253770.b3lyp_6-31g(d).qchem.inp (generated)

045253770.b3lyp_6-31g(d).gjf (generated)

045253770.b3lyp_6-31g(d).firefly.inp (generated)

045253770.b3lyp_6-31g(d).smash.inp (generated)

045253770.b3lyp_6-31g(d).nwchem.inp (generated) 045253770.b3lyp_6-31g(d).log.xz 045253770.mol 045253770.PUBCHEM 045253770.mol (via Jmol)
045253771.b3lyp_6-31g(d).inp

045253771.b3lyp_6-31g(d).qchem.inp (generated)

045253771.b3lyp_6-31g(d).gjf (generated)

045253771.b3lyp_6-31g(d).firefly.inp (generated)

045253771.b3lyp_6-31g(d).smash.inp (generated)

045253771.b3lyp_6-31g(d).nwchem.inp (generated) 045253771.b3lyp_6-31g(d).log.xz 045253771.td-b3lyp_6-31g+(d).inp 045253771.td-b3lyp_6-31g+(d).log.xz

045253771.td-b3lyp_6-31+g(d).qchem.inp (generated)

045253771.td-b3lyp_6-31+g(d).gjf (generated)

045253771.td-b3lyp_6-31+g(d).firefly.inp (generated)

045253771.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045253771.mol 045253771.PUBCHEM 045253771.mol (via Jmol)
045253846.b3lyp_6-31g(d).inp

045253846.b3lyp_6-31g(d).qchem.inp (generated)

045253846.b3lyp_6-31g(d).gjf (generated)

045253846.b3lyp_6-31g(d).firefly.inp (generated)

045253846.b3lyp_6-31g(d).smash.inp (generated)

045253846.b3lyp_6-31g(d).nwchem.inp (generated) 045253846.b3lyp_6-31g(d).log.xz 045253846.td-b3lyp_6-31g+(d).inp 045253846.td-b3lyp_6-31g+(d).log.xz

045253846.td-b3lyp_6-31+g(d).qchem.inp (generated)

045253846.td-b3lyp_6-31+g(d).gjf (generated)

045253846.td-b3lyp_6-31+g(d).firefly.inp (generated)

045253846.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045253846.mol 045253846.PUBCHEM 045253846.mol (via Jmol)
045254006.b3lyp_6-31g(d).inp

045254006.b3lyp_6-31g(d).qchem.inp (generated)

045254006.b3lyp_6-31g(d).gjf (generated)

045254006.b3lyp_6-31g(d).firefly.inp (generated)

045254006.b3lyp_6-31g(d).smash.inp (generated)

045254006.b3lyp_6-31g(d).nwchem.inp (generated) 045254006.b3lyp_6-31g(d).log.xz 045254006.td-b3lyp_6-31g+(d).inp 045254006.td-b3lyp_6-31g+(d).log.xz

045254006.td-b3lyp_6-31+g(d).qchem.inp (generated)

045254006.td-b3lyp_6-31+g(d).gjf (generated)

045254006.td-b3lyp_6-31+g(d).firefly.inp (generated)

045254006.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045254006.mol 045254006.PUBCHEM 045254006.mol (via Jmol)
045254007.b3lyp_6-31g(d).inp

045254007.b3lyp_6-31g(d).qchem.inp (generated)

045254007.b3lyp_6-31g(d).gjf (generated)

045254007.b3lyp_6-31g(d).firefly.inp (generated)

045254007.b3lyp_6-31g(d).smash.inp (generated)

045254007.b3lyp_6-31g(d).nwchem.inp (generated) 045254007.b3lyp_6-31g(d).log.xz 045254007.td-b3lyp_6-31g+(d).inp 045254007.td-b3lyp_6-31g+(d).log.xz

045254007.td-b3lyp_6-31+g(d).qchem.inp (generated)

045254007.td-b3lyp_6-31+g(d).gjf (generated)

045254007.td-b3lyp_6-31+g(d).firefly.inp (generated)

045254007.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045254007.mol 045254007.PUBCHEM 045254007.mol (via Jmol)
045254008.b3lyp_6-31g(d).inp

045254008.b3lyp_6-31g(d).qchem.inp (generated)

045254008.b3lyp_6-31g(d).gjf (generated)

045254008.b3lyp_6-31g(d).firefly.inp (generated)

045254008.b3lyp_6-31g(d).smash.inp (generated)

045254008.b3lyp_6-31g(d).nwchem.inp (generated) 045254008.b3lyp_6-31g(d).log.xz 045254008.td-b3lyp_6-31g+(d).inp 045254008.td-b3lyp_6-31g+(d).log.xz

045254008.td-b3lyp_6-31+g(d).qchem.inp (generated)

045254008.td-b3lyp_6-31+g(d).gjf (generated)

045254008.td-b3lyp_6-31+g(d).firefly.inp (generated)

045254008.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045254008.mol 045254008.PUBCHEM 045254008.mol (via Jmol)
045254009.b3lyp_6-31g(d).inp

045254009.b3lyp_6-31g(d).qchem.inp (generated)

045254009.b3lyp_6-31g(d).gjf (generated)

045254009.b3lyp_6-31g(d).firefly.inp (generated)

045254009.b3lyp_6-31g(d).smash.inp (generated)

045254009.b3lyp_6-31g(d).nwchem.inp (generated) 045254009.b3lyp_6-31g(d).log.xz 045254009.td-b3lyp_6-31g+(d).inp 045254009.td-b3lyp_6-31g+(d).log.xz

045254009.td-b3lyp_6-31+g(d).qchem.inp (generated)

045254009.td-b3lyp_6-31+g(d).gjf (generated)

045254009.td-b3lyp_6-31+g(d).firefly.inp (generated)

045254009.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045254009.mol 045254009.PUBCHEM 045254009.mol (via Jmol)
045254231.b3lyp_6-31g(d).inp

045254231.b3lyp_6-31g(d).qchem.inp (generated)

045254231.b3lyp_6-31g(d).gjf (generated)

045254231.b3lyp_6-31g(d).firefly.inp (generated)

045254231.b3lyp_6-31g(d).smash.inp (generated)

045254231.b3lyp_6-31g(d).nwchem.inp (generated) 045254231.b3lyp_6-31g(d).log.xz 045254231.td-b3lyp_6-31g+(d).inp 045254231.td-b3lyp_6-31g+(d).log.xz

045254231.td-b3lyp_6-31+g(d).qchem.inp (generated)

045254231.td-b3lyp_6-31+g(d).gjf (generated)

045254231.td-b3lyp_6-31+g(d).firefly.inp (generated)

045254231.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045254231.mol 045254231.PUBCHEM 045254231.mol (via Jmol)
045254280.b3lyp_6-31g(d).inp

045254280.b3lyp_6-31g(d).qchem.inp (generated)

045254280.b3lyp_6-31g(d).gjf (generated)

045254280.b3lyp_6-31g(d).firefly.inp (generated)

045254280.b3lyp_6-31g(d).smash.inp (generated)

045254280.b3lyp_6-31g(d).nwchem.inp (generated) 045254280.b3lyp_6-31g(d).log.xz 045254280.td-b3lyp_6-31g+(d).inp 045254280.td-b3lyp_6-31g+(d).log.xz

045254280.td-b3lyp_6-31+g(d).qchem.inp (generated)

045254280.td-b3lyp_6-31+g(d).gjf (generated)

045254280.td-b3lyp_6-31+g(d).firefly.inp (generated)

045254280.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045254280.mol 045254280.PUBCHEM 045254280.mol (via Jmol)
045254281.b3lyp_6-31g(d).inp

045254281.b3lyp_6-31g(d).qchem.inp (generated)

045254281.b3lyp_6-31g(d).gjf (generated)

045254281.b3lyp_6-31g(d).firefly.inp (generated)

045254281.b3lyp_6-31g(d).smash.inp (generated)

045254281.b3lyp_6-31g(d).nwchem.inp (generated) 045254281.b3lyp_6-31g(d).log.xz 045254281.td-b3lyp_6-31g+(d).inp 045254281.td-b3lyp_6-31g+(d).log.xz

045254281.td-b3lyp_6-31+g(d).qchem.inp (generated)

045254281.td-b3lyp_6-31+g(d).gjf (generated)

045254281.td-b3lyp_6-31+g(d).firefly.inp (generated)

045254281.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045254281.mol 045254281.PUBCHEM 045254281.mol (via Jmol)
045254534.b3lyp_6-31g(d).inp

045254534.b3lyp_6-31g(d).qchem.inp (generated)

045254534.b3lyp_6-31g(d).gjf (generated)

045254534.b3lyp_6-31g(d).firefly.inp (generated)

045254534.b3lyp_6-31g(d).smash.inp (generated)

045254534.b3lyp_6-31g(d).nwchem.inp (generated) 045254534.b3lyp_6-31g(d).log.xz 045254534.td-b3lyp_6-31g+(d).inp 045254534.td-b3lyp_6-31g+(d).log.xz

045254534.td-b3lyp_6-31+g(d).qchem.inp (generated)

045254534.td-b3lyp_6-31+g(d).gjf (generated)

045254534.td-b3lyp_6-31+g(d).firefly.inp (generated)

045254534.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045254534.mol 045254534.PUBCHEM 045254534.mol (via Jmol)
045254640.b3lyp_6-31g(d).inp

045254640.b3lyp_6-31g(d).qchem.inp (generated)

045254640.b3lyp_6-31g(d).gjf (generated)

045254640.b3lyp_6-31g(d).firefly.inp (generated)

045254640.b3lyp_6-31g(d).smash.inp (generated)

045254640.b3lyp_6-31g(d).nwchem.inp (generated) 045254640.b3lyp_6-31g(d).log.xz 045254640.td-b3lyp_6-31g+(d).inp 045254640.td-b3lyp_6-31g+(d).log.xz

045254640.td-b3lyp_6-31+g(d).qchem.inp (generated)

045254640.td-b3lyp_6-31+g(d).gjf (generated)

045254640.td-b3lyp_6-31+g(d).firefly.inp (generated)

045254640.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045254640.mol 045254640.PUBCHEM 045254640.mol (via Jmol)
045254724.b3lyp_6-31g(d).inp

045254724.b3lyp_6-31g(d).qchem.inp (generated)

045254724.b3lyp_6-31g(d).gjf (generated)

045254724.b3lyp_6-31g(d).firefly.inp (generated)

045254724.b3lyp_6-31g(d).smash.inp (generated)

045254724.b3lyp_6-31g(d).nwchem.inp (generated) 045254724.b3lyp_6-31g(d).log.xz 045254724.td-b3lyp_6-31g+(d).inp 045254724.td-b3lyp_6-31g+(d).log.xz

045254724.td-b3lyp_6-31+g(d).qchem.inp (generated)

045254724.td-b3lyp_6-31+g(d).gjf (generated)

045254724.td-b3lyp_6-31+g(d).firefly.inp (generated)

045254724.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045254724.mol 045254724.PUBCHEM 045254724.mol (via Jmol)
045254801.b3lyp_6-31g(d).inp

045254801.b3lyp_6-31g(d).qchem.inp (generated)

045254801.b3lyp_6-31g(d).gjf (generated)

045254801.b3lyp_6-31g(d).firefly.inp (generated)

045254801.b3lyp_6-31g(d).smash.inp (generated)

045254801.b3lyp_6-31g(d).nwchem.inp (generated) 045254801.b3lyp_6-31g(d).log.xz 045254801.td-b3lyp_6-31g+(d).inp 045254801.td-b3lyp_6-31g+(d).log.xz

045254801.td-b3lyp_6-31+g(d).qchem.inp (generated)

045254801.td-b3lyp_6-31+g(d).gjf (generated)

045254801.td-b3lyp_6-31+g(d).firefly.inp (generated)

045254801.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045254801.mol 045254801.PUBCHEM 045254801.mol (via Jmol)
045254839.b3lyp_6-31g(d).inp

045254839.b3lyp_6-31g(d).qchem.inp (generated)

045254839.b3lyp_6-31g(d).gjf (generated)

045254839.b3lyp_6-31g(d).firefly.inp (generated)

045254839.b3lyp_6-31g(d).smash.inp (generated)

045254839.b3lyp_6-31g(d).nwchem.inp (generated) 045254839.b3lyp_6-31g(d).log.xz 045254839.td-b3lyp_6-31g+(d).inp 045254839.td-b3lyp_6-31g+(d).log.xz

045254839.td-b3lyp_6-31+g(d).qchem.inp (generated)

045254839.td-b3lyp_6-31+g(d).gjf (generated)

045254839.td-b3lyp_6-31+g(d).firefly.inp (generated)

045254839.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045254839.mol 045254839.PUBCHEM 045254839.mol (via Jmol)
045254840.b3lyp_6-31g(d).inp

045254840.b3lyp_6-31g(d).qchem.inp (generated)

045254840.b3lyp_6-31g(d).gjf (generated)

045254840.b3lyp_6-31g(d).firefly.inp (generated)

045254840.b3lyp_6-31g(d).smash.inp (generated)

045254840.b3lyp_6-31g(d).nwchem.inp (generated) 045254840.b3lyp_6-31g(d).log.xz 045254840.td-b3lyp_6-31g+(d).inp 045254840.td-b3lyp_6-31g+(d).log.xz

045254840.td-b3lyp_6-31+g(d).qchem.inp (generated)

045254840.td-b3lyp_6-31+g(d).gjf (generated)

045254840.td-b3lyp_6-31+g(d).firefly.inp (generated)

045254840.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045254840.mol 045254840.PUBCHEM 045254840.mol (via Jmol)
045254841.b3lyp_6-31g(d).inp

045254841.b3lyp_6-31g(d).qchem.inp (generated)

045254841.b3lyp_6-31g(d).gjf (generated)

045254841.b3lyp_6-31g(d).firefly.inp (generated)

045254841.b3lyp_6-31g(d).smash.inp (generated)

045254841.b3lyp_6-31g(d).nwchem.inp (generated) 045254841.b3lyp_6-31g(d).log.xz 045254841.td-b3lyp_6-31g+(d).inp 045254841.td-b3lyp_6-31g+(d).log.xz

045254841.td-b3lyp_6-31+g(d).qchem.inp (generated)

045254841.td-b3lyp_6-31+g(d).gjf (generated)

045254841.td-b3lyp_6-31+g(d).firefly.inp (generated)

045254841.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045254841.mol 045254841.PUBCHEM 045254841.mol (via Jmol)
045254842.b3lyp_6-31g(d).inp

045254842.b3lyp_6-31g(d).qchem.inp (generated)

045254842.b3lyp_6-31g(d).gjf (generated)

045254842.b3lyp_6-31g(d).firefly.inp (generated)

045254842.b3lyp_6-31g(d).smash.inp (generated)

045254842.b3lyp_6-31g(d).nwchem.inp (generated) 045254842.b3lyp_6-31g(d).log.xz 045254842.td-b3lyp_6-31g+(d).inp 045254842.td-b3lyp_6-31g+(d).log.xz

045254842.td-b3lyp_6-31+g(d).qchem.inp (generated)

045254842.td-b3lyp_6-31+g(d).gjf (generated)

045254842.td-b3lyp_6-31+g(d).firefly.inp (generated)

045254842.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045254842.mol 045254842.PUBCHEM 045254842.mol (via Jmol)
045254844.b3lyp_6-31g(d).inp

045254844.b3lyp_6-31g(d).qchem.inp (generated)

045254844.b3lyp_6-31g(d).gjf (generated)

045254844.b3lyp_6-31g(d).firefly.inp (generated)

045254844.b3lyp_6-31g(d).smash.inp (generated)

045254844.b3lyp_6-31g(d).nwchem.inp (generated) 045254844.b3lyp_6-31g(d).log.xz 045254844.td-b3lyp_6-31g+(d).inp 045254844.td-b3lyp_6-31g+(d).log.xz

045254844.td-b3lyp_6-31+g(d).qchem.inp (generated)

045254844.td-b3lyp_6-31+g(d).gjf (generated)

045254844.td-b3lyp_6-31+g(d).firefly.inp (generated)

045254844.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045254844.mol 045254844.PUBCHEM 045254844.mol (via Jmol)
045254845.b3lyp_6-31g(d).inp

045254845.b3lyp_6-31g(d).qchem.inp (generated)

045254845.b3lyp_6-31g(d).gjf (generated)

045254845.b3lyp_6-31g(d).firefly.inp (generated)

045254845.b3lyp_6-31g(d).smash.inp (generated)

045254845.b3lyp_6-31g(d).nwchem.inp (generated) 045254845.b3lyp_6-31g(d).log.xz 045254845.td-b3lyp_6-31g+(d).inp 045254845.td-b3lyp_6-31g+(d).log.xz

045254845.td-b3lyp_6-31+g(d).qchem.inp (generated)

045254845.td-b3lyp_6-31+g(d).gjf (generated)

045254845.td-b3lyp_6-31+g(d).firefly.inp (generated)

045254845.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045254845.mol 045254845.PUBCHEM 045254845.mol (via Jmol)
045254872.b3lyp_6-31g(d).inp

045254872.b3lyp_6-31g(d).qchem.inp (generated)

045254872.b3lyp_6-31g(d).gjf (generated)

045254872.b3lyp_6-31g(d).firefly.inp (generated)

045254872.b3lyp_6-31g(d).smash.inp (generated)

045254872.b3lyp_6-31g(d).nwchem.inp (generated) 045254872.b3lyp_6-31g(d).log.xz 045254872.td-b3lyp_6-31g+(d).inp 045254872.td-b3lyp_6-31g+(d).log.xz

045254872.td-b3lyp_6-31+g(d).qchem.inp (generated)

045254872.td-b3lyp_6-31+g(d).gjf (generated)

045254872.td-b3lyp_6-31+g(d).firefly.inp (generated)

045254872.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045254872.mol 045254872.PUBCHEM 045254872.mol (via Jmol)
045254876.b3lyp_6-31g(d).inp

045254876.b3lyp_6-31g(d).qchem.inp (generated)

045254876.b3lyp_6-31g(d).gjf (generated)

045254876.b3lyp_6-31g(d).firefly.inp (generated)

045254876.b3lyp_6-31g(d).smash.inp (generated)

045254876.b3lyp_6-31g(d).nwchem.inp (generated) 045254876.b3lyp_6-31g(d).log.xz 045254876.td-b3lyp_6-31g+(d).inp 045254876.td-b3lyp_6-31g+(d).log.xz

045254876.td-b3lyp_6-31+g(d).qchem.inp (generated)

045254876.td-b3lyp_6-31+g(d).gjf (generated)

045254876.td-b3lyp_6-31+g(d).firefly.inp (generated)

045254876.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045254876.mol 045254876.PUBCHEM 045254876.mol (via Jmol)
045254994.b3lyp_6-31g(d).inp

045254994.b3lyp_6-31g(d).qchem.inp (generated)

045254994.b3lyp_6-31g(d).gjf (generated)

045254994.b3lyp_6-31g(d).firefly.inp (generated)

045254994.b3lyp_6-31g(d).smash.inp (generated)

045254994.b3lyp_6-31g(d).nwchem.inp (generated) 045254994.b3lyp_6-31g(d).log.xz 045254994.td-b3lyp_6-31g+(d).inp 045254994.td-b3lyp_6-31g+(d).log.xz

045254994.td-b3lyp_6-31+g(d).qchem.inp (generated)

045254994.td-b3lyp_6-31+g(d).gjf (generated)

045254994.td-b3lyp_6-31+g(d).firefly.inp (generated)

045254994.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045254994.mol 045254994.PUBCHEM 045254994.mol (via Jmol)
045255060.b3lyp_6-31g(d).inp

045255060.b3lyp_6-31g(d).qchem.inp (generated)

045255060.b3lyp_6-31g(d).gjf (generated)

045255060.b3lyp_6-31g(d).firefly.inp (generated)

045255060.b3lyp_6-31g(d).smash.inp (generated)

045255060.b3lyp_6-31g(d).nwchem.inp (generated) 045255060.b3lyp_6-31g(d).log.xz 045255060.td-b3lyp_6-31g+(d).inp 045255060.td-b3lyp_6-31g+(d).log.xz

045255060.td-b3lyp_6-31+g(d).qchem.inp (generated)

045255060.td-b3lyp_6-31+g(d).gjf (generated)

045255060.td-b3lyp_6-31+g(d).firefly.inp (generated)

045255060.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045255060.mol 045255060.PUBCHEM 045255060.mol (via Jmol)
045255061.b3lyp_6-31g(d).inp

045255061.b3lyp_6-31g(d).qchem.inp (generated)

045255061.b3lyp_6-31g(d).gjf (generated)

045255061.b3lyp_6-31g(d).firefly.inp (generated)

045255061.b3lyp_6-31g(d).smash.inp (generated)

045255061.b3lyp_6-31g(d).nwchem.inp (generated) 045255061.b3lyp_6-31g(d).log.xz 045255061.td-b3lyp_6-31g+(d).inp 045255061.td-b3lyp_6-31g+(d).log.xz

045255061.td-b3lyp_6-31+g(d).qchem.inp (generated)

045255061.td-b3lyp_6-31+g(d).gjf (generated)

045255061.td-b3lyp_6-31+g(d).firefly.inp (generated)

045255061.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045255061.mol 045255061.PUBCHEM 045255061.mol (via Jmol)
045255062.b3lyp_6-31g(d).inp

045255062.b3lyp_6-31g(d).qchem.inp (generated)

045255062.b3lyp_6-31g(d).gjf (generated)

045255062.b3lyp_6-31g(d).firefly.inp (generated)

045255062.b3lyp_6-31g(d).smash.inp (generated)

045255062.b3lyp_6-31g(d).nwchem.inp (generated) 045255062.b3lyp_6-31g(d).log.xz 045255062.td-b3lyp_6-31g+(d).inp 045255062.td-b3lyp_6-31g+(d).log.xz

045255062.td-b3lyp_6-31+g(d).qchem.inp (generated)

045255062.td-b3lyp_6-31+g(d).gjf (generated)

045255062.td-b3lyp_6-31+g(d).firefly.inp (generated)

045255062.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045255062.mol 045255062.PUBCHEM 045255062.mol (via Jmol)
045255080.b3lyp_6-31g(d).inp

045255080.b3lyp_6-31g(d).qchem.inp (generated)

045255080.b3lyp_6-31g(d).gjf (generated)

045255080.b3lyp_6-31g(d).firefly.inp (generated)

045255080.b3lyp_6-31g(d).smash.inp (generated)

045255080.b3lyp_6-31g(d).nwchem.inp (generated) 045255080.b3lyp_6-31g(d).log.xz 045255080.td-b3lyp_6-31g+(d).inp 045255080.td-b3lyp_6-31g+(d).log.xz

045255080.td-b3lyp_6-31+g(d).qchem.inp (generated)

045255080.td-b3lyp_6-31+g(d).gjf (generated)

045255080.td-b3lyp_6-31+g(d).firefly.inp (generated)

045255080.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045255080.mol 045255080.PUBCHEM 045255080.mol (via Jmol)
045255254.b3lyp_6-31g(d).inp

045255254.b3lyp_6-31g(d).qchem.inp (generated)

045255254.b3lyp_6-31g(d).gjf (generated)

045255254.b3lyp_6-31g(d).firefly.inp (generated)

045255254.b3lyp_6-31g(d).smash.inp (generated)

045255254.b3lyp_6-31g(d).nwchem.inp (generated) 045255254.b3lyp_6-31g(d).log.xz 045255254.td-b3lyp_6-31g+(d).inp 045255254.td-b3lyp_6-31g+(d).log.xz

045255254.td-b3lyp_6-31+g(d).qchem.inp (generated)

045255254.td-b3lyp_6-31+g(d).gjf (generated)

045255254.td-b3lyp_6-31+g(d).firefly.inp (generated)

045255254.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045255254.mol 045255254.PUBCHEM 045255254.mol (via Jmol)
045255256.b3lyp_6-31g(d).inp

045255256.b3lyp_6-31g(d).qchem.inp (generated)

045255256.b3lyp_6-31g(d).gjf (generated)

045255256.b3lyp_6-31g(d).firefly.inp (generated)

045255256.b3lyp_6-31g(d).smash.inp (generated)

045255256.b3lyp_6-31g(d).nwchem.inp (generated) 045255256.b3lyp_6-31g(d).log.xz 045255256.td-b3lyp_6-31g+(d).inp 045255256.td-b3lyp_6-31g+(d).log.xz

045255256.td-b3lyp_6-31+g(d).qchem.inp (generated)

045255256.td-b3lyp_6-31+g(d).gjf (generated)

045255256.td-b3lyp_6-31+g(d).firefly.inp (generated)

045255256.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045255256.mol 045255256.PUBCHEM 045255256.mol (via Jmol)
045255257.b3lyp_6-31g(d).inp

045255257.b3lyp_6-31g(d).qchem.inp (generated)

045255257.b3lyp_6-31g(d).gjf (generated)

045255257.b3lyp_6-31g(d).firefly.inp (generated)

045255257.b3lyp_6-31g(d).smash.inp (generated)

045255257.b3lyp_6-31g(d).nwchem.inp (generated) 045255257.b3lyp_6-31g(d).log.xz 045255257.td-b3lyp_6-31g+(d).inp 045255257.td-b3lyp_6-31g+(d).log.xz

045255257.td-b3lyp_6-31+g(d).qchem.inp (generated)

045255257.td-b3lyp_6-31+g(d).gjf (generated)

045255257.td-b3lyp_6-31+g(d).firefly.inp (generated)

045255257.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045255257.mol 045255257.PUBCHEM 045255257.mol (via Jmol)
045255258.b3lyp_6-31g(d).inp

045255258.b3lyp_6-31g(d).qchem.inp (generated)

045255258.b3lyp_6-31g(d).gjf (generated)

045255258.b3lyp_6-31g(d).firefly.inp (generated)

045255258.b3lyp_6-31g(d).smash.inp (generated)

045255258.b3lyp_6-31g(d).nwchem.inp (generated) 045255258.b3lyp_6-31g(d).log.xz 045255258.td-b3lyp_6-31g+(d).inp 045255258.td-b3lyp_6-31g+(d).log.xz

045255258.td-b3lyp_6-31+g(d).qchem.inp (generated)

045255258.td-b3lyp_6-31+g(d).gjf (generated)

045255258.td-b3lyp_6-31+g(d).firefly.inp (generated)

045255258.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045255258.mol 045255258.PUBCHEM 045255258.mol (via Jmol)
045255421.b3lyp_6-31g(d).inp

045255421.b3lyp_6-31g(d).qchem.inp (generated)

045255421.b3lyp_6-31g(d).gjf (generated)

045255421.b3lyp_6-31g(d).firefly.inp (generated)

045255421.b3lyp_6-31g(d).smash.inp (generated)

045255421.b3lyp_6-31g(d).nwchem.inp (generated) 045255421.b3lyp_6-31g(d).log.xz 045255421.td-b3lyp_6-31g+(d).inp 045255421.td-b3lyp_6-31g+(d).log.xz

045255421.td-b3lyp_6-31+g(d).qchem.inp (generated)

045255421.td-b3lyp_6-31+g(d).gjf (generated)

045255421.td-b3lyp_6-31+g(d).firefly.inp (generated)

045255421.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045255421.mol 045255421.PUBCHEM 045255421.mol (via Jmol)
045255465.b3lyp_6-31g(d).inp

045255465.b3lyp_6-31g(d).qchem.inp (generated)

045255465.b3lyp_6-31g(d).gjf (generated)

045255465.b3lyp_6-31g(d).firefly.inp (generated)

045255465.b3lyp_6-31g(d).smash.inp (generated)

045255465.b3lyp_6-31g(d).nwchem.inp (generated) 045255465.b3lyp_6-31g(d).log.xz 045255465.td-b3lyp_6-31g+(d).inp 045255465.td-b3lyp_6-31g+(d).log.xz

045255465.td-b3lyp_6-31+g(d).qchem.inp (generated)

045255465.td-b3lyp_6-31+g(d).gjf (generated)

045255465.td-b3lyp_6-31+g(d).firefly.inp (generated)

045255465.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045255465.mol 045255465.PUBCHEM 045255465.mol (via Jmol)
045255470.b3lyp_6-31g(d).inp

045255470.b3lyp_6-31g(d).qchem.inp (generated)

045255470.b3lyp_6-31g(d).gjf (generated)

045255470.b3lyp_6-31g(d).firefly.inp (generated)

045255470.b3lyp_6-31g(d).smash.inp (generated)

045255470.b3lyp_6-31g(d).nwchem.inp (generated) 045255470.b3lyp_6-31g(d).log.xz 045255470.td-b3lyp_6-31g+(d).inp 045255470.td-b3lyp_6-31g+(d).log.xz

045255470.td-b3lyp_6-31+g(d).qchem.inp (generated)

045255470.td-b3lyp_6-31+g(d).gjf (generated)

045255470.td-b3lyp_6-31+g(d).firefly.inp (generated)

045255470.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045255470.mol 045255470.PUBCHEM 045255470.mol (via Jmol)
045255471.b3lyp_6-31g(d).inp

045255471.b3lyp_6-31g(d).qchem.inp (generated)

045255471.b3lyp_6-31g(d).gjf (generated)

045255471.b3lyp_6-31g(d).firefly.inp (generated)

045255471.b3lyp_6-31g(d).smash.inp (generated)

045255471.b3lyp_6-31g(d).nwchem.inp (generated) 045255471.b3lyp_6-31g(d).log.xz 045255471.mol 045255471.PUBCHEM 045255471.mol (via Jmol)
045255509.b3lyp_6-31g(d).inp

045255509.b3lyp_6-31g(d).qchem.inp (generated)

045255509.b3lyp_6-31g(d).gjf (generated)

045255509.b3lyp_6-31g(d).firefly.inp (generated)

045255509.b3lyp_6-31g(d).smash.inp (generated)

045255509.b3lyp_6-31g(d).nwchem.inp (generated) 045255509.b3lyp_6-31g(d).log.xz 045255509.td-b3lyp_6-31g+(d).inp 045255509.td-b3lyp_6-31g+(d).log.xz

045255509.td-b3lyp_6-31+g(d).qchem.inp (generated)

045255509.td-b3lyp_6-31+g(d).gjf (generated)

045255509.td-b3lyp_6-31+g(d).firefly.inp (generated)

045255509.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045255509.mol 045255509.PUBCHEM 045255509.mol (via Jmol)
045255624.b3lyp_6-31g(d).inp

045255624.b3lyp_6-31g(d).qchem.inp (generated)

045255624.b3lyp_6-31g(d).gjf (generated)

045255624.b3lyp_6-31g(d).firefly.inp (generated)

045255624.b3lyp_6-31g(d).smash.inp (generated)

045255624.b3lyp_6-31g(d).nwchem.inp (generated) 045255624.b3lyp_6-31g(d).log.xz 045255624.td-b3lyp_6-31g+(d).inp 045255624.td-b3lyp_6-31g+(d).log.xz

045255624.td-b3lyp_6-31+g(d).qchem.inp (generated)

045255624.td-b3lyp_6-31+g(d).gjf (generated)

045255624.td-b3lyp_6-31+g(d).firefly.inp (generated)

045255624.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045255624.mol 045255624.PUBCHEM 045255624.mol (via Jmol)
045255625.b3lyp_6-31g(d).inp

045255625.b3lyp_6-31g(d).qchem.inp (generated)

045255625.b3lyp_6-31g(d).gjf (generated)

045255625.b3lyp_6-31g(d).firefly.inp (generated)

045255625.b3lyp_6-31g(d).smash.inp (generated)

045255625.b3lyp_6-31g(d).nwchem.inp (generated) 045255625.b3lyp_6-31g(d).log.xz 045255625.mol 045255625.PUBCHEM 045255625.mol (via Jmol)
045255666.b3lyp_6-31g(d).inp

045255666.b3lyp_6-31g(d).qchem.inp (generated)

045255666.b3lyp_6-31g(d).gjf (generated)

045255666.b3lyp_6-31g(d).firefly.inp (generated)

045255666.b3lyp_6-31g(d).smash.inp (generated)

045255666.b3lyp_6-31g(d).nwchem.inp (generated) 045255666.b3lyp_6-31g(d).log.xz 045255666.td-b3lyp_6-31g+(d).inp 045255666.td-b3lyp_6-31g+(d).log.xz

045255666.td-b3lyp_6-31+g(d).qchem.inp (generated)

045255666.td-b3lyp_6-31+g(d).gjf (generated)

045255666.td-b3lyp_6-31+g(d).firefly.inp (generated)

045255666.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045255666.mol 045255666.PUBCHEM 045255666.mol (via Jmol)
045255667.b3lyp_6-31g(d).inp

045255667.b3lyp_6-31g(d).qchem.inp (generated)

045255667.b3lyp_6-31g(d).gjf (generated)

045255667.b3lyp_6-31g(d).firefly.inp (generated)

045255667.b3lyp_6-31g(d).smash.inp (generated)

045255667.b3lyp_6-31g(d).nwchem.inp (generated) 045255667.b3lyp_6-31g(d).log.xz 045255667.td-b3lyp_6-31g+(d).inp 045255667.td-b3lyp_6-31g+(d).log.xz

045255667.td-b3lyp_6-31+g(d).qchem.inp (generated)

045255667.td-b3lyp_6-31+g(d).gjf (generated)

045255667.td-b3lyp_6-31+g(d).firefly.inp (generated)

045255667.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045255667.mol 045255667.PUBCHEM 045255667.mol (via Jmol)
045255700.b3lyp_6-31g(d).inp

045255700.b3lyp_6-31g(d).qchem.inp (generated)

045255700.b3lyp_6-31g(d).gjf (generated)

045255700.b3lyp_6-31g(d).firefly.inp (generated)

045255700.b3lyp_6-31g(d).smash.inp (generated)

045255700.b3lyp_6-31g(d).nwchem.inp (generated) 045255700.b3lyp_6-31g(d).log.xz 045255700.td-b3lyp_6-31g+(d).inp 045255700.td-b3lyp_6-31g+(d).log.xz

045255700.td-b3lyp_6-31+g(d).qchem.inp (generated)

045255700.td-b3lyp_6-31+g(d).gjf (generated)

045255700.td-b3lyp_6-31+g(d).firefly.inp (generated)

045255700.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045255700.mol 045255700.PUBCHEM 045255700.mol (via Jmol)
045255785.b3lyp_6-31g(d).inp

045255785.b3lyp_6-31g(d).qchem.inp (generated)

045255785.b3lyp_6-31g(d).gjf (generated)

045255785.b3lyp_6-31g(d).firefly.inp (generated)

045255785.b3lyp_6-31g(d).smash.inp (generated)

045255785.b3lyp_6-31g(d).nwchem.inp (generated) 045255785.b3lyp_6-31g(d).log.xz 045255785.td-b3lyp_6-31g+(d).inp 045255785.td-b3lyp_6-31g+(d).log.xz

045255785.td-b3lyp_6-31+g(d).qchem.inp (generated)

045255785.td-b3lyp_6-31+g(d).gjf (generated)

045255785.td-b3lyp_6-31+g(d).firefly.inp (generated)

045255785.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045255785.mol 045255785.PUBCHEM 045255785.mol (via Jmol)
045255975.b3lyp_6-31g(d).inp

045255975.b3lyp_6-31g(d).qchem.inp (generated)

045255975.b3lyp_6-31g(d).gjf (generated)

045255975.b3lyp_6-31g(d).firefly.inp (generated)

045255975.b3lyp_6-31g(d).smash.inp (generated)

045255975.b3lyp_6-31g(d).nwchem.inp (generated) 045255975.b3lyp_6-31g(d).log.xz 045255975.td-b3lyp_6-31g+(d).inp 045255975.td-b3lyp_6-31g+(d).log.xz

045255975.td-b3lyp_6-31+g(d).qchem.inp (generated)

045255975.td-b3lyp_6-31+g(d).gjf (generated)

045255975.td-b3lyp_6-31+g(d).firefly.inp (generated)

045255975.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045255975.mol 045255975.PUBCHEM 045255975.mol (via Jmol)
045256268.b3lyp_6-31g(d).inp

045256268.b3lyp_6-31g(d).qchem.inp (generated)

045256268.b3lyp_6-31g(d).gjf (generated)

045256268.b3lyp_6-31g(d).firefly.inp (generated)

045256268.b3lyp_6-31g(d).smash.inp (generated)

045256268.b3lyp_6-31g(d).nwchem.inp (generated) 045256268.b3lyp_6-31g(d).log.xz 045256268.td-b3lyp_6-31g+(d).inp 045256268.td-b3lyp_6-31g+(d).log.xz

045256268.td-b3lyp_6-31+g(d).qchem.inp (generated)

045256268.td-b3lyp_6-31+g(d).gjf (generated)

045256268.td-b3lyp_6-31+g(d).firefly.inp (generated)

045256268.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045256268.mol 045256268.PUBCHEM 045256268.mol (via Jmol)
045256674.b3lyp_6-31g(d).inp

045256674.b3lyp_6-31g(d).qchem.inp (generated)

045256674.b3lyp_6-31g(d).gjf (generated)

045256674.b3lyp_6-31g(d).firefly.inp (generated)

045256674.b3lyp_6-31g(d).smash.inp (generated)

045256674.b3lyp_6-31g(d).nwchem.inp (generated) 045256674.b3lyp_6-31g(d).log.xz 045256674.td-b3lyp_6-31g+(d).inp 045256674.td-b3lyp_6-31g+(d).log.xz

045256674.td-b3lyp_6-31+g(d).qchem.inp (generated)

045256674.td-b3lyp_6-31+g(d).gjf (generated)

045256674.td-b3lyp_6-31+g(d).firefly.inp (generated)

045256674.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045256674.mol 045256674.PUBCHEM 045256674.mol (via Jmol)
045256845.b3lyp_6-31g(d).inp

045256845.b3lyp_6-31g(d).qchem.inp (generated)

045256845.b3lyp_6-31g(d).gjf (generated)

045256845.b3lyp_6-31g(d).firefly.inp (generated)

045256845.b3lyp_6-31g(d).smash.inp (generated)

045256845.b3lyp_6-31g(d).nwchem.inp (generated) 045256845.b3lyp_6-31g(d).log.xz 045256845.td-b3lyp_6-31g+(d).inp 045256845.td-b3lyp_6-31g+(d).log.xz

045256845.td-b3lyp_6-31+g(d).qchem.inp (generated)

045256845.td-b3lyp_6-31+g(d).gjf (generated)

045256845.td-b3lyp_6-31+g(d).firefly.inp (generated)

045256845.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045256845.mol 045256845.PUBCHEM 045256845.mol (via Jmol)
045256848.b3lyp_6-31g(d).inp

045256848.b3lyp_6-31g(d).qchem.inp (generated)

045256848.b3lyp_6-31g(d).gjf (generated)

045256848.b3lyp_6-31g(d).firefly.inp (generated)

045256848.b3lyp_6-31g(d).smash.inp (generated)

045256848.b3lyp_6-31g(d).nwchem.inp (generated) 045256848.b3lyp_6-31g(d).log.xz 045256848.td-b3lyp_6-31g+(d).inp 045256848.td-b3lyp_6-31g+(d).log.xz

045256848.td-b3lyp_6-31+g(d).qchem.inp (generated)

045256848.td-b3lyp_6-31+g(d).gjf (generated)

045256848.td-b3lyp_6-31+g(d).firefly.inp (generated)

045256848.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045256848.mol 045256848.PUBCHEM 045256848.mol (via Jmol)
045256849.b3lyp_6-31g(d).inp

045256849.b3lyp_6-31g(d).qchem.inp (generated)

045256849.b3lyp_6-31g(d).gjf (generated)

045256849.b3lyp_6-31g(d).firefly.inp (generated)

045256849.b3lyp_6-31g(d).smash.inp (generated)

045256849.b3lyp_6-31g(d).nwchem.inp (generated) 045256849.b3lyp_6-31g(d).log.xz 045256849.td-b3lyp_6-31g+(d).inp 045256849.td-b3lyp_6-31g+(d).log.xz

045256849.td-b3lyp_6-31+g(d).qchem.inp (generated)

045256849.td-b3lyp_6-31+g(d).gjf (generated)

045256849.td-b3lyp_6-31+g(d).firefly.inp (generated)

045256849.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045256849.mol 045256849.PUBCHEM 045256849.mol (via Jmol)
045256855.b3lyp_6-31g(d).inp

045256855.b3lyp_6-31g(d).qchem.inp (generated)

045256855.b3lyp_6-31g(d).gjf (generated)

045256855.b3lyp_6-31g(d).firefly.inp (generated)

045256855.b3lyp_6-31g(d).smash.inp (generated)

045256855.b3lyp_6-31g(d).nwchem.inp (generated) 045256855.b3lyp_6-31g(d).log.xz 045256855.td-b3lyp_6-31g+(d).inp 045256855.td-b3lyp_6-31g+(d).log.xz

045256855.td-b3lyp_6-31+g(d).qchem.inp (generated)

045256855.td-b3lyp_6-31+g(d).gjf (generated)

045256855.td-b3lyp_6-31+g(d).firefly.inp (generated)

045256855.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045256855.mol 045256855.PUBCHEM 045256855.mol (via Jmol)
045256856.b3lyp_6-31g(d).inp

045256856.b3lyp_6-31g(d).qchem.inp (generated)

045256856.b3lyp_6-31g(d).gjf (generated)

045256856.b3lyp_6-31g(d).firefly.inp (generated)

045256856.b3lyp_6-31g(d).smash.inp (generated)

045256856.b3lyp_6-31g(d).nwchem.inp (generated) 045256856.b3lyp_6-31g(d).log.xz 045256856.td-b3lyp_6-31g+(d).inp 045256856.td-b3lyp_6-31g+(d).log.xz

045256856.td-b3lyp_6-31+g(d).qchem.inp (generated)

045256856.td-b3lyp_6-31+g(d).gjf (generated)

045256856.td-b3lyp_6-31+g(d).firefly.inp (generated)

045256856.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045256856.mol 045256856.PUBCHEM 045256856.mol (via Jmol)
045256964.b3lyp_6-31g(d).inp

045256964.b3lyp_6-31g(d).qchem.inp (generated)

045256964.b3lyp_6-31g(d).gjf (generated)

045256964.b3lyp_6-31g(d).firefly.inp (generated)

045256964.b3lyp_6-31g(d).smash.inp (generated)

045256964.b3lyp_6-31g(d).nwchem.inp (generated) 045256964.b3lyp_6-31g(d).log.xz 045256964.td-b3lyp_6-31g+(d).inp 045256964.td-b3lyp_6-31g+(d).log.xz

045256964.td-b3lyp_6-31+g(d).qchem.inp (generated)

045256964.td-b3lyp_6-31+g(d).gjf (generated)

045256964.td-b3lyp_6-31+g(d).firefly.inp (generated)

045256964.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045256964.mol 045256964.PUBCHEM 045256964.mol (via Jmol)
045256969.b3lyp_6-31g(d).inp

045256969.b3lyp_6-31g(d).qchem.inp (generated)

045256969.b3lyp_6-31g(d).gjf (generated)

045256969.b3lyp_6-31g(d).firefly.inp (generated)

045256969.b3lyp_6-31g(d).smash.inp (generated)

045256969.b3lyp_6-31g(d).nwchem.inp (generated) 045256969.b3lyp_6-31g(d).log.xz 045256969.mol 045256969.PUBCHEM 045256969.mol (via Jmol)
045257031.b3lyp_6-31g(d).inp

045257031.b3lyp_6-31g(d).qchem.inp (generated)

045257031.b3lyp_6-31g(d).gjf (generated)

045257031.b3lyp_6-31g(d).firefly.inp (generated)

045257031.b3lyp_6-31g(d).smash.inp (generated)

045257031.b3lyp_6-31g(d).nwchem.inp (generated) 045257031.b3lyp_6-31g(d).log.xz 045257031.td-b3lyp_6-31g+(d).inp 045257031.td-b3lyp_6-31g+(d).log.xz

045257031.td-b3lyp_6-31+g(d).qchem.inp (generated)

045257031.td-b3lyp_6-31+g(d).gjf (generated)

045257031.td-b3lyp_6-31+g(d).firefly.inp (generated)

045257031.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045257031.mol 045257031.PUBCHEM 045257031.mol (via Jmol)
045257032.b3lyp_6-31g(d).inp

045257032.b3lyp_6-31g(d).qchem.inp (generated)

045257032.b3lyp_6-31g(d).gjf (generated)

045257032.b3lyp_6-31g(d).firefly.inp (generated)

045257032.b3lyp_6-31g(d).smash.inp (generated)

045257032.b3lyp_6-31g(d).nwchem.inp (generated) 045257032.b3lyp_6-31g(d).log.xz 045257032.td-b3lyp_6-31g+(d).inp 045257032.td-b3lyp_6-31g+(d).log.xz

045257032.td-b3lyp_6-31+g(d).qchem.inp (generated)

045257032.td-b3lyp_6-31+g(d).gjf (generated)

045257032.td-b3lyp_6-31+g(d).firefly.inp (generated)

045257032.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045257032.mol 045257032.PUBCHEM 045257032.mol (via Jmol)
045257033.b3lyp_6-31g(d).inp

045257033.b3lyp_6-31g(d).qchem.inp (generated)

045257033.b3lyp_6-31g(d).gjf (generated)

045257033.b3lyp_6-31g(d).firefly.inp (generated)

045257033.b3lyp_6-31g(d).smash.inp (generated)

045257033.b3lyp_6-31g(d).nwchem.inp (generated) 045257033.b3lyp_6-31g(d).log.xz 045257033.mol 045257033.PUBCHEM 045257033.mol (via Jmol)
045257035.b3lyp_6-31g(d).inp

045257035.b3lyp_6-31g(d).qchem.inp (generated)

045257035.b3lyp_6-31g(d).gjf (generated)

045257035.b3lyp_6-31g(d).firefly.inp (generated)

045257035.b3lyp_6-31g(d).smash.inp (generated)

045257035.b3lyp_6-31g(d).nwchem.inp (generated) 045257035.b3lyp_6-31g(d).log.xz 045257035.td-b3lyp_6-31g+(d).inp 045257035.td-b3lyp_6-31g+(d).log.xz

045257035.td-b3lyp_6-31+g(d).qchem.inp (generated)

045257035.td-b3lyp_6-31+g(d).gjf (generated)

045257035.td-b3lyp_6-31+g(d).firefly.inp (generated)

045257035.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045257035.mol 045257035.PUBCHEM 045257035.mol (via Jmol)
045257128.b3lyp_6-31g(d).inp

045257128.b3lyp_6-31g(d).qchem.inp (generated)

045257128.b3lyp_6-31g(d).gjf (generated)

045257128.b3lyp_6-31g(d).firefly.inp (generated)

045257128.b3lyp_6-31g(d).smash.inp (generated)

045257128.b3lyp_6-31g(d).nwchem.inp (generated) 045257128.b3lyp_6-31g(d).log.xz 045257128.mol 045257128.PUBCHEM 045257128.mol (via Jmol)
045257257.b3lyp_6-31g(d).inp

045257257.b3lyp_6-31g(d).qchem.inp (generated)

045257257.b3lyp_6-31g(d).gjf (generated)

045257257.b3lyp_6-31g(d).firefly.inp (generated)

045257257.b3lyp_6-31g(d).smash.inp (generated)

045257257.b3lyp_6-31g(d).nwchem.inp (generated) 045257257.b3lyp_6-31g(d).log.xz 045257257.td-b3lyp_6-31g+(d).inp 045257257.td-b3lyp_6-31g+(d).log.xz

045257257.td-b3lyp_6-31+g(d).qchem.inp (generated)

045257257.td-b3lyp_6-31+g(d).gjf (generated)

045257257.td-b3lyp_6-31+g(d).firefly.inp (generated)

045257257.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045257257.mol 045257257.PUBCHEM 045257257.mol (via Jmol)
045257299.b3lyp_6-31g(d).inp

045257299.b3lyp_6-31g(d).qchem.inp (generated)

045257299.b3lyp_6-31g(d).gjf (generated)

045257299.b3lyp_6-31g(d).firefly.inp (generated)

045257299.b3lyp_6-31g(d).smash.inp (generated)

045257299.b3lyp_6-31g(d).nwchem.inp (generated) 045257299.b3lyp_6-31g(d).log.xz 045257299.td-b3lyp_6-31g+(d).inp 045257299.td-b3lyp_6-31g+(d).log.xz

045257299.td-b3lyp_6-31+g(d).qchem.inp (generated)

045257299.td-b3lyp_6-31+g(d).gjf (generated)

045257299.td-b3lyp_6-31+g(d).firefly.inp (generated)

045257299.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045257299.mol 045257299.PUBCHEM 045257299.mol (via Jmol)
045257300.b3lyp_6-31g(d).inp

045257300.b3lyp_6-31g(d).qchem.inp (generated)

045257300.b3lyp_6-31g(d).gjf (generated)

045257300.b3lyp_6-31g(d).firefly.inp (generated)

045257300.b3lyp_6-31g(d).smash.inp (generated)

045257300.b3lyp_6-31g(d).nwchem.inp (generated) 045257300.b3lyp_6-31g(d).log.xz 045257300.td-b3lyp_6-31g+(d).inp 045257300.td-b3lyp_6-31g+(d).log.xz

045257300.td-b3lyp_6-31+g(d).qchem.inp (generated)

045257300.td-b3lyp_6-31+g(d).gjf (generated)

045257300.td-b3lyp_6-31+g(d).firefly.inp (generated)

045257300.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045257300.mol 045257300.PUBCHEM 045257300.mol (via Jmol)
045257301.b3lyp_6-31g(d).inp

045257301.b3lyp_6-31g(d).qchem.inp (generated)

045257301.b3lyp_6-31g(d).gjf (generated)

045257301.b3lyp_6-31g(d).firefly.inp (generated)

045257301.b3lyp_6-31g(d).smash.inp (generated)

045257301.b3lyp_6-31g(d).nwchem.inp (generated) 045257301.b3lyp_6-31g(d).log.xz 045257301.td-b3lyp_6-31g+(d).inp 045257301.td-b3lyp_6-31g+(d).log.xz

045257301.td-b3lyp_6-31+g(d).qchem.inp (generated)

045257301.td-b3lyp_6-31+g(d).gjf (generated)

045257301.td-b3lyp_6-31+g(d).firefly.inp (generated)

045257301.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045257301.mol 045257301.PUBCHEM 045257301.mol (via Jmol)
045257310.b3lyp_6-31g(d).inp

045257310.b3lyp_6-31g(d).qchem.inp (generated)

045257310.b3lyp_6-31g(d).gjf (generated)

045257310.b3lyp_6-31g(d).firefly.inp (generated)

045257310.b3lyp_6-31g(d).smash.inp (generated)

045257310.b3lyp_6-31g(d).nwchem.inp (generated) 045257310.b3lyp_6-31g(d).log.xz 045257310.td-b3lyp_6-31g+(d).inp 045257310.td-b3lyp_6-31g+(d).log.xz

045257310.td-b3lyp_6-31+g(d).qchem.inp (generated)

045257310.td-b3lyp_6-31+g(d).gjf (generated)

045257310.td-b3lyp_6-31+g(d).firefly.inp (generated)

045257310.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045257310.mol 045257310.PUBCHEM 045257310.mol (via Jmol)
045257318.b3lyp_6-31g(d).inp

045257318.b3lyp_6-31g(d).qchem.inp (generated)

045257318.b3lyp_6-31g(d).gjf (generated)

045257318.b3lyp_6-31g(d).firefly.inp (generated)

045257318.b3lyp_6-31g(d).smash.inp (generated)

045257318.b3lyp_6-31g(d).nwchem.inp (generated) 045257318.b3lyp_6-31g(d).log.xz 045257318.td-b3lyp_6-31g+(d).inp 045257318.td-b3lyp_6-31g+(d).log.xz

045257318.td-b3lyp_6-31+g(d).qchem.inp (generated)

045257318.td-b3lyp_6-31+g(d).gjf (generated)

045257318.td-b3lyp_6-31+g(d).firefly.inp (generated)

045257318.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045257318.mol 045257318.PUBCHEM 045257318.mol (via Jmol)
045257367.b3lyp_6-31g(d).inp

045257367.b3lyp_6-31g(d).qchem.inp (generated)

045257367.b3lyp_6-31g(d).gjf (generated)

045257367.b3lyp_6-31g(d).firefly.inp (generated)

045257367.b3lyp_6-31g(d).smash.inp (generated)

045257367.b3lyp_6-31g(d).nwchem.inp (generated) 045257367.b3lyp_6-31g(d).log.xz 045257367.td-b3lyp_6-31g+(d).inp 045257367.td-b3lyp_6-31g+(d).log.xz

045257367.td-b3lyp_6-31+g(d).qchem.inp (generated)

045257367.td-b3lyp_6-31+g(d).gjf (generated)

045257367.td-b3lyp_6-31+g(d).firefly.inp (generated)

045257367.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045257367.mol 045257367.PUBCHEM 045257367.mol (via Jmol)
045257401.b3lyp_6-31g(d).inp

045257401.b3lyp_6-31g(d).qchem.inp (generated)

045257401.b3lyp_6-31g(d).gjf (generated)

045257401.b3lyp_6-31g(d).firefly.inp (generated)

045257401.b3lyp_6-31g(d).smash.inp (generated)

045257401.b3lyp_6-31g(d).nwchem.inp (generated) 045257401.b3lyp_6-31g(d).log.xz 045257401.mol 045257401.PUBCHEM 045257401.mol (via Jmol)
045257423.b3lyp_6-31g(d).inp

045257423.b3lyp_6-31g(d).qchem.inp (generated)

045257423.b3lyp_6-31g(d).gjf (generated)

045257423.b3lyp_6-31g(d).firefly.inp (generated)

045257423.b3lyp_6-31g(d).smash.inp (generated)

045257423.b3lyp_6-31g(d).nwchem.inp (generated) 045257423.b3lyp_6-31g(d).log.xz 045257423.td-b3lyp_6-31g+(d).inp 045257423.td-b3lyp_6-31g+(d).log.xz

045257423.td-b3lyp_6-31+g(d).qchem.inp (generated)

045257423.td-b3lyp_6-31+g(d).gjf (generated)

045257423.td-b3lyp_6-31+g(d).firefly.inp (generated)

045257423.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045257423.mol 045257423.PUBCHEM 045257423.mol (via Jmol)
045257424.b3lyp_6-31g(d).inp

045257424.b3lyp_6-31g(d).qchem.inp (generated)

045257424.b3lyp_6-31g(d).gjf (generated)

045257424.b3lyp_6-31g(d).firefly.inp (generated)

045257424.b3lyp_6-31g(d).smash.inp (generated)

045257424.b3lyp_6-31g(d).nwchem.inp (generated) 045257424.b3lyp_6-31g(d).log.xz 045257424.td-b3lyp_6-31g+(d).inp 045257424.td-b3lyp_6-31g+(d).log.xz

045257424.td-b3lyp_6-31+g(d).qchem.inp (generated)

045257424.td-b3lyp_6-31+g(d).gjf (generated)

045257424.td-b3lyp_6-31+g(d).firefly.inp (generated)

045257424.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045257424.mol 045257424.PUBCHEM 045257424.mol (via Jmol)
045257425.b3lyp_6-31g(d).inp

045257425.b3lyp_6-31g(d).qchem.inp (generated)

045257425.b3lyp_6-31g(d).gjf (generated)

045257425.b3lyp_6-31g(d).firefly.inp (generated)

045257425.b3lyp_6-31g(d).smash.inp (generated)

045257425.b3lyp_6-31g(d).nwchem.inp (generated) 045257425.b3lyp_6-31g(d).log.xz 045257425.td-b3lyp_6-31g+(d).inp 045257425.td-b3lyp_6-31g+(d).log.xz

045257425.td-b3lyp_6-31+g(d).qchem.inp (generated)

045257425.td-b3lyp_6-31+g(d).gjf (generated)

045257425.td-b3lyp_6-31+g(d).firefly.inp (generated)

045257425.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045257425.mol 045257425.PUBCHEM 045257425.mol (via Jmol)
045257426.b3lyp_6-31g(d).inp

045257426.b3lyp_6-31g(d).qchem.inp (generated)

045257426.b3lyp_6-31g(d).gjf (generated)

045257426.b3lyp_6-31g(d).firefly.inp (generated)

045257426.b3lyp_6-31g(d).smash.inp (generated)

045257426.b3lyp_6-31g(d).nwchem.inp (generated) 045257426.b3lyp_6-31g(d).log.xz 045257426.td-b3lyp_6-31g+(d).inp 045257426.td-b3lyp_6-31g+(d).log.xz

045257426.td-b3lyp_6-31+g(d).qchem.inp (generated)

045257426.td-b3lyp_6-31+g(d).gjf (generated)

045257426.td-b3lyp_6-31+g(d).firefly.inp (generated)

045257426.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045257426.mol 045257426.PUBCHEM 045257426.mol (via Jmol)
045257430.b3lyp_6-31g(d).inp

045257430.b3lyp_6-31g(d).qchem.inp (generated)

045257430.b3lyp_6-31g(d).gjf (generated)

045257430.b3lyp_6-31g(d).firefly.inp (generated)

045257430.b3lyp_6-31g(d).smash.inp (generated)

045257430.b3lyp_6-31g(d).nwchem.inp (generated) 045257430.b3lyp_6-31g(d).log.xz 045257430.td-b3lyp_6-31g+(d).inp 045257430.td-b3lyp_6-31g+(d).log.xz

045257430.td-b3lyp_6-31+g(d).qchem.inp (generated)

045257430.td-b3lyp_6-31+g(d).gjf (generated)

045257430.td-b3lyp_6-31+g(d).firefly.inp (generated)

045257430.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045257430.mol 045257430.PUBCHEM 045257430.mol (via Jmol)
045257431.b3lyp_6-31g(d).inp

045257431.b3lyp_6-31g(d).qchem.inp (generated)

045257431.b3lyp_6-31g(d).gjf (generated)

045257431.b3lyp_6-31g(d).firefly.inp (generated)

045257431.b3lyp_6-31g(d).smash.inp (generated)

045257431.b3lyp_6-31g(d).nwchem.inp (generated) 045257431.b3lyp_6-31g(d).log.xz 045257431.mol 045257431.PUBCHEM 045257431.mol (via Jmol)
045257432.b3lyp_6-31g(d).inp

045257432.b3lyp_6-31g(d).qchem.inp (generated)

045257432.b3lyp_6-31g(d).gjf (generated)

045257432.b3lyp_6-31g(d).firefly.inp (generated)

045257432.b3lyp_6-31g(d).smash.inp (generated)

045257432.b3lyp_6-31g(d).nwchem.inp (generated) 045257432.b3lyp_6-31g(d).log.xz 045257432.td-b3lyp_6-31g+(d).inp 045257432.td-b3lyp_6-31g+(d).log.xz

045257432.td-b3lyp_6-31+g(d).qchem.inp (generated)

045257432.td-b3lyp_6-31+g(d).gjf (generated)

045257432.td-b3lyp_6-31+g(d).firefly.inp (generated)

045257432.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045257432.mol 045257432.PUBCHEM 045257432.mol (via Jmol)
045257499.b3lyp_6-31g(d).inp

045257499.b3lyp_6-31g(d).qchem.inp (generated)

045257499.b3lyp_6-31g(d).gjf (generated)

045257499.b3lyp_6-31g(d).firefly.inp (generated)

045257499.b3lyp_6-31g(d).smash.inp (generated)

045257499.b3lyp_6-31g(d).nwchem.inp (generated) 045257499.b3lyp_6-31g(d).log.xz 045257499.td-b3lyp_6-31g+(d).inp 045257499.td-b3lyp_6-31g+(d).log.xz

045257499.td-b3lyp_6-31+g(d).qchem.inp (generated)

045257499.td-b3lyp_6-31+g(d).gjf (generated)

045257499.td-b3lyp_6-31+g(d).firefly.inp (generated)

045257499.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045257499.mol 045257499.PUBCHEM 045257499.mol (via Jmol)
045257518.b3lyp_6-31g(d).inp

045257518.b3lyp_6-31g(d).qchem.inp (generated)

045257518.b3lyp_6-31g(d).gjf (generated)

045257518.b3lyp_6-31g(d).firefly.inp (generated)

045257518.b3lyp_6-31g(d).smash.inp (generated)

045257518.b3lyp_6-31g(d).nwchem.inp (generated) 045257518.b3lyp_6-31g(d).log.xz 045257518.mol 045257518.PUBCHEM 045257518.mol (via Jmol)
045257524.b3lyp_6-31g(d).inp

045257524.b3lyp_6-31g(d).qchem.inp (generated)

045257524.b3lyp_6-31g(d).gjf (generated)

045257524.b3lyp_6-31g(d).firefly.inp (generated)

045257524.b3lyp_6-31g(d).smash.inp (generated)

045257524.b3lyp_6-31g(d).nwchem.inp (generated) 045257524.b3lyp_6-31g(d).log.xz 045257524.td-b3lyp_6-31g+(d).inp 045257524.td-b3lyp_6-31g+(d).log.xz

045257524.td-b3lyp_6-31+g(d).qchem.inp (generated)

045257524.td-b3lyp_6-31+g(d).gjf (generated)

045257524.td-b3lyp_6-31+g(d).firefly.inp (generated)

045257524.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045257524.mol 045257524.PUBCHEM 045257524.mol (via Jmol)
045257527.b3lyp_6-31g(d).inp

045257527.b3lyp_6-31g(d).qchem.inp (generated)

045257527.b3lyp_6-31g(d).gjf (generated)

045257527.b3lyp_6-31g(d).firefly.inp (generated)

045257527.b3lyp_6-31g(d).smash.inp (generated)

045257527.b3lyp_6-31g(d).nwchem.inp (generated) 045257527.b3lyp_6-31g(d).log.xz 045257527.td-b3lyp_6-31g+(d).inp 045257527.td-b3lyp_6-31g+(d).log.xz

045257527.td-b3lyp_6-31+g(d).qchem.inp (generated)

045257527.td-b3lyp_6-31+g(d).gjf (generated)

045257527.td-b3lyp_6-31+g(d).firefly.inp (generated)

045257527.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045257527.mol 045257527.PUBCHEM 045257527.mol (via Jmol)
045257528.b3lyp_6-31g(d).inp

045257528.b3lyp_6-31g(d).qchem.inp (generated)

045257528.b3lyp_6-31g(d).gjf (generated)

045257528.b3lyp_6-31g(d).firefly.inp (generated)

045257528.b3lyp_6-31g(d).smash.inp (generated)

045257528.b3lyp_6-31g(d).nwchem.inp (generated) 045257528.b3lyp_6-31g(d).log.xz 045257528.mol 045257528.PUBCHEM 045257528.mol (via Jmol)
045257535.b3lyp_6-31g(d).inp

045257535.b3lyp_6-31g(d).qchem.inp (generated)

045257535.b3lyp_6-31g(d).gjf (generated)

045257535.b3lyp_6-31g(d).firefly.inp (generated)

045257535.b3lyp_6-31g(d).smash.inp (generated)

045257535.b3lyp_6-31g(d).nwchem.inp (generated) 045257535.b3lyp_6-31g(d).log.xz 045257535.td-b3lyp_6-31g+(d).inp 045257535.td-b3lyp_6-31g+(d).log.xz

045257535.td-b3lyp_6-31+g(d).qchem.inp (generated)

045257535.td-b3lyp_6-31+g(d).gjf (generated)

045257535.td-b3lyp_6-31+g(d).firefly.inp (generated)

045257535.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045257535.mol 045257535.PUBCHEM 045257535.mol (via Jmol)
045257536.b3lyp_6-31g(d).inp

045257536.b3lyp_6-31g(d).qchem.inp (generated)

045257536.b3lyp_6-31g(d).gjf (generated)

045257536.b3lyp_6-31g(d).firefly.inp (generated)

045257536.b3lyp_6-31g(d).smash.inp (generated)

045257536.b3lyp_6-31g(d).nwchem.inp (generated) 045257536.b3lyp_6-31g(d).log.xz 045257536.td-b3lyp_6-31g+(d).inp 045257536.td-b3lyp_6-31g+(d).log.xz

045257536.td-b3lyp_6-31+g(d).qchem.inp (generated)

045257536.td-b3lyp_6-31+g(d).gjf (generated)

045257536.td-b3lyp_6-31+g(d).firefly.inp (generated)

045257536.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045257536.mol 045257536.PUBCHEM 045257536.mol (via Jmol)
045257545.b3lyp_6-31g(d).inp

045257545.b3lyp_6-31g(d).qchem.inp (generated)

045257545.b3lyp_6-31g(d).gjf (generated)

045257545.b3lyp_6-31g(d).firefly.inp (generated)

045257545.b3lyp_6-31g(d).smash.inp (generated)

045257545.b3lyp_6-31g(d).nwchem.inp (generated) 045257545.b3lyp_6-31g(d).log.xz 045257545.td-b3lyp_6-31g+(d).inp 045257545.td-b3lyp_6-31g+(d).log.xz

045257545.td-b3lyp_6-31+g(d).qchem.inp (generated)

045257545.td-b3lyp_6-31+g(d).gjf (generated)

045257545.td-b3lyp_6-31+g(d).firefly.inp (generated)

045257545.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045257545.mol 045257545.PUBCHEM 045257545.mol (via Jmol)
045257549.b3lyp_6-31g(d).inp

045257549.b3lyp_6-31g(d).qchem.inp (generated)

045257549.b3lyp_6-31g(d).gjf (generated)

045257549.b3lyp_6-31g(d).firefly.inp (generated)

045257549.b3lyp_6-31g(d).smash.inp (generated)

045257549.b3lyp_6-31g(d).nwchem.inp (generated) 045257549.b3lyp_6-31g(d).log.xz 045257549.td-b3lyp_6-31g+(d).inp 045257549.td-b3lyp_6-31g+(d).log.xz

045257549.td-b3lyp_6-31+g(d).qchem.inp (generated)

045257549.td-b3lyp_6-31+g(d).gjf (generated)

045257549.td-b3lyp_6-31+g(d).firefly.inp (generated)

045257549.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045257549.mol 045257549.PUBCHEM 045257549.mol (via Jmol)
045257572.b3lyp_6-31g(d).inp

045257572.b3lyp_6-31g(d).qchem.inp (generated)

045257572.b3lyp_6-31g(d).gjf (generated)

045257572.b3lyp_6-31g(d).firefly.inp (generated)

045257572.b3lyp_6-31g(d).smash.inp (generated)

045257572.b3lyp_6-31g(d).nwchem.inp (generated) 045257572.b3lyp_6-31g(d).log.xz 045257572.td-b3lyp_6-31g+(d).inp 045257572.td-b3lyp_6-31g+(d).log.xz

045257572.td-b3lyp_6-31+g(d).qchem.inp (generated)

045257572.td-b3lyp_6-31+g(d).gjf (generated)

045257572.td-b3lyp_6-31+g(d).firefly.inp (generated)

045257572.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045257572.mol 045257572.PUBCHEM 045257572.mol (via Jmol)
045257573.b3lyp_6-31g(d).inp

045257573.b3lyp_6-31g(d).qchem.inp (generated)

045257573.b3lyp_6-31g(d).gjf (generated)

045257573.b3lyp_6-31g(d).firefly.inp (generated)

045257573.b3lyp_6-31g(d).smash.inp (generated)

045257573.b3lyp_6-31g(d).nwchem.inp (generated) 045257573.b3lyp_6-31g(d).log.xz 045257573.mol 045257573.PUBCHEM 045257573.mol (via Jmol)
045257574.b3lyp_6-31g(d).inp

045257574.b3lyp_6-31g(d).qchem.inp (generated)

045257574.b3lyp_6-31g(d).gjf (generated)

045257574.b3lyp_6-31g(d).firefly.inp (generated)

045257574.b3lyp_6-31g(d).smash.inp (generated)

045257574.b3lyp_6-31g(d).nwchem.inp (generated) 045257574.b3lyp_6-31g(d).log.xz 045257574.td-b3lyp_6-31g+(d).inp 045257574.td-b3lyp_6-31g+(d).log.xz

045257574.td-b3lyp_6-31+g(d).qchem.inp (generated)

045257574.td-b3lyp_6-31+g(d).gjf (generated)

045257574.td-b3lyp_6-31+g(d).firefly.inp (generated)

045257574.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045257574.mol 045257574.PUBCHEM 045257574.mol (via Jmol)
045257578.b3lyp_6-31g(d).inp

045257578.b3lyp_6-31g(d).qchem.inp (generated)

045257578.b3lyp_6-31g(d).gjf (generated)

045257578.b3lyp_6-31g(d).firefly.inp (generated)

045257578.b3lyp_6-31g(d).smash.inp (generated)

045257578.b3lyp_6-31g(d).nwchem.inp (generated) 045257578.b3lyp_6-31g(d).log.xz 045257578.td-b3lyp_6-31g+(d).inp 045257578.td-b3lyp_6-31g+(d).log.xz

045257578.td-b3lyp_6-31+g(d).qchem.inp (generated)

045257578.td-b3lyp_6-31+g(d).gjf (generated)

045257578.td-b3lyp_6-31+g(d).firefly.inp (generated)

045257578.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045257578.mol 045257578.PUBCHEM 045257578.mol (via Jmol)
045257579.b3lyp_6-31g(d).inp

045257579.b3lyp_6-31g(d).qchem.inp (generated)

045257579.b3lyp_6-31g(d).gjf (generated)

045257579.b3lyp_6-31g(d).firefly.inp (generated)

045257579.b3lyp_6-31g(d).smash.inp (generated)

045257579.b3lyp_6-31g(d).nwchem.inp (generated) 045257579.b3lyp_6-31g(d).log.xz 045257579.mol 045257579.PUBCHEM 045257579.mol (via Jmol)
045257580.b3lyp_6-31g(d).inp

045257580.b3lyp_6-31g(d).qchem.inp (generated)

045257580.b3lyp_6-31g(d).gjf (generated)

045257580.b3lyp_6-31g(d).firefly.inp (generated)

045257580.b3lyp_6-31g(d).smash.inp (generated)

045257580.b3lyp_6-31g(d).nwchem.inp (generated) 045257580.b3lyp_6-31g(d).log.xz 045257580.td-b3lyp_6-31g+(d).inp 045257580.td-b3lyp_6-31g+(d).log.xz

045257580.td-b3lyp_6-31+g(d).qchem.inp (generated)

045257580.td-b3lyp_6-31+g(d).gjf (generated)

045257580.td-b3lyp_6-31+g(d).firefly.inp (generated)

045257580.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045257580.mol 045257580.PUBCHEM 045257580.mol (via Jmol)
045257581.b3lyp_6-31g(d).inp

045257581.b3lyp_6-31g(d).qchem.inp (generated)

045257581.b3lyp_6-31g(d).gjf (generated)

045257581.b3lyp_6-31g(d).firefly.inp (generated)

045257581.b3lyp_6-31g(d).smash.inp (generated)

045257581.b3lyp_6-31g(d).nwchem.inp (generated) 045257581.b3lyp_6-31g(d).log.xz 045257581.mol 045257581.PUBCHEM 045257581.mol (via Jmol)
045257582.b3lyp_6-31g(d).inp

045257582.b3lyp_6-31g(d).qchem.inp (generated)

045257582.b3lyp_6-31g(d).gjf (generated)

045257582.b3lyp_6-31g(d).firefly.inp (generated)

045257582.b3lyp_6-31g(d).smash.inp (generated)

045257582.b3lyp_6-31g(d).nwchem.inp (generated) 045257582.b3lyp_6-31g(d).log.xz 045257582.td-b3lyp_6-31g+(d).inp 045257582.td-b3lyp_6-31g+(d).log.xz

045257582.td-b3lyp_6-31+g(d).qchem.inp (generated)

045257582.td-b3lyp_6-31+g(d).gjf (generated)

045257582.td-b3lyp_6-31+g(d).firefly.inp (generated)

045257582.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045257582.mol 045257582.PUBCHEM 045257582.mol (via Jmol)
045257583.b3lyp_6-31g(d).inp

045257583.b3lyp_6-31g(d).qchem.inp (generated)

045257583.b3lyp_6-31g(d).gjf (generated)

045257583.b3lyp_6-31g(d).firefly.inp (generated)

045257583.b3lyp_6-31g(d).smash.inp (generated)

045257583.b3lyp_6-31g(d).nwchem.inp (generated) 045257583.b3lyp_6-31g(d).log.xz 045257583.mol 045257583.PUBCHEM 045257583.mol (via Jmol)
045257584.b3lyp_6-31g(d).inp

045257584.b3lyp_6-31g(d).qchem.inp (generated)

045257584.b3lyp_6-31g(d).gjf (generated)

045257584.b3lyp_6-31g(d).firefly.inp (generated)

045257584.b3lyp_6-31g(d).smash.inp (generated)

045257584.b3lyp_6-31g(d).nwchem.inp (generated) 045257584.b3lyp_6-31g(d).log.xz 045257584.td-b3lyp_6-31g+(d).inp 045257584.td-b3lyp_6-31g+(d).log.xz

045257584.td-b3lyp_6-31+g(d).qchem.inp (generated)

045257584.td-b3lyp_6-31+g(d).gjf (generated)

045257584.td-b3lyp_6-31+g(d).firefly.inp (generated)

045257584.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045257584.mol 045257584.PUBCHEM 045257584.mol (via Jmol)
045257612.b3lyp_6-31g(d).inp

045257612.b3lyp_6-31g(d).qchem.inp (generated)

045257612.b3lyp_6-31g(d).gjf (generated)

045257612.b3lyp_6-31g(d).firefly.inp (generated)

045257612.b3lyp_6-31g(d).smash.inp (generated)

045257612.b3lyp_6-31g(d).nwchem.inp (generated) 045257612.b3lyp_6-31g(d).log.xz 045257612.td-b3lyp_6-31g+(d).inp 045257612.td-b3lyp_6-31g+(d).log.xz

045257612.td-b3lyp_6-31+g(d).qchem.inp (generated)

045257612.td-b3lyp_6-31+g(d).gjf (generated)

045257612.td-b3lyp_6-31+g(d).firefly.inp (generated)

045257612.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045257612.mol 045257612.PUBCHEM 045257612.mol (via Jmol)
045257640.b3lyp_6-31g(d).inp

045257640.b3lyp_6-31g(d).qchem.inp (generated)

045257640.b3lyp_6-31g(d).gjf (generated)

045257640.b3lyp_6-31g(d).firefly.inp (generated)

045257640.b3lyp_6-31g(d).smash.inp (generated)

045257640.b3lyp_6-31g(d).nwchem.inp (generated) 045257640.b3lyp_6-31g(d).log.xz 045257640.mol 045257640.PUBCHEM 045257640.mol (via Jmol)
045257657.b3lyp_6-31g(d).inp

045257657.b3lyp_6-31g(d).qchem.inp (generated)

045257657.b3lyp_6-31g(d).gjf (generated)

045257657.b3lyp_6-31g(d).firefly.inp (generated)

045257657.b3lyp_6-31g(d).smash.inp (generated)

045257657.b3lyp_6-31g(d).nwchem.inp (generated) 045257657.b3lyp_6-31g(d).log.xz 045257657.td-b3lyp_6-31g+(d).inp 045257657.td-b3lyp_6-31g+(d).log.xz

045257657.td-b3lyp_6-31+g(d).qchem.inp (generated)

045257657.td-b3lyp_6-31+g(d).gjf (generated)

045257657.td-b3lyp_6-31+g(d).firefly.inp (generated)

045257657.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045257657.mol 045257657.PUBCHEM 045257657.mol (via Jmol)
045257658.b3lyp_6-31g(d).inp

045257658.b3lyp_6-31g(d).qchem.inp (generated)

045257658.b3lyp_6-31g(d).gjf (generated)

045257658.b3lyp_6-31g(d).firefly.inp (generated)

045257658.b3lyp_6-31g(d).smash.inp (generated)

045257658.b3lyp_6-31g(d).nwchem.inp (generated) 045257658.b3lyp_6-31g(d).log.xz 045257658.td-b3lyp_6-31g+(d).inp 045257658.td-b3lyp_6-31g+(d).log.xz

045257658.td-b3lyp_6-31+g(d).qchem.inp (generated)

045257658.td-b3lyp_6-31+g(d).gjf (generated)

045257658.td-b3lyp_6-31+g(d).firefly.inp (generated)

045257658.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045257658.mol 045257658.PUBCHEM 045257658.mol (via Jmol)
045257662.b3lyp_6-31g(d).inp

045257662.b3lyp_6-31g(d).qchem.inp (generated)

045257662.b3lyp_6-31g(d).gjf (generated)

045257662.b3lyp_6-31g(d).firefly.inp (generated)

045257662.b3lyp_6-31g(d).smash.inp (generated)

045257662.b3lyp_6-31g(d).nwchem.inp (generated) 045257662.b3lyp_6-31g(d).log.xz 045257662.td-b3lyp_6-31g+(d).inp 045257662.td-b3lyp_6-31g+(d).log.xz

045257662.td-b3lyp_6-31+g(d).qchem.inp (generated)

045257662.td-b3lyp_6-31+g(d).gjf (generated)

045257662.td-b3lyp_6-31+g(d).firefly.inp (generated)

045257662.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045257662.mol 045257662.PUBCHEM 045257662.mol (via Jmol)
045257682.b3lyp_6-31g(d).inp

045257682.b3lyp_6-31g(d).qchem.inp (generated)

045257682.b3lyp_6-31g(d).gjf (generated)

045257682.b3lyp_6-31g(d).firefly.inp (generated)

045257682.b3lyp_6-31g(d).smash.inp (generated)

045257682.b3lyp_6-31g(d).nwchem.inp (generated) 045257682.b3lyp_6-31g(d).log.xz 045257682.td-b3lyp_6-31g+(d).inp 045257682.td-b3lyp_6-31g+(d).log.xz

045257682.td-b3lyp_6-31+g(d).qchem.inp (generated)

045257682.td-b3lyp_6-31+g(d).gjf (generated)

045257682.td-b3lyp_6-31+g(d).firefly.inp (generated)

045257682.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045257682.mol 045257682.PUBCHEM 045257682.mol (via Jmol)
045257684.b3lyp_6-31g(d).inp

045257684.b3lyp_6-31g(d).qchem.inp (generated)

045257684.b3lyp_6-31g(d).gjf (generated)

045257684.b3lyp_6-31g(d).firefly.inp (generated)

045257684.b3lyp_6-31g(d).smash.inp (generated)

045257684.b3lyp_6-31g(d).nwchem.inp (generated) 045257684.b3lyp_6-31g(d).log.xz 045257684.mol 045257684.PUBCHEM 045257684.mol (via Jmol)
045257685.b3lyp_6-31g(d).inp

045257685.b3lyp_6-31g(d).qchem.inp (generated)

045257685.b3lyp_6-31g(d).gjf (generated)

045257685.b3lyp_6-31g(d).firefly.inp (generated)

045257685.b3lyp_6-31g(d).smash.inp (generated)

045257685.b3lyp_6-31g(d).nwchem.inp (generated) 045257685.b3lyp_6-31g(d).log.xz 045257685.mol 045257685.PUBCHEM 045257685.mol (via Jmol)
045257686.b3lyp_6-31g(d).inp

045257686.b3lyp_6-31g(d).qchem.inp (generated)

045257686.b3lyp_6-31g(d).gjf (generated)

045257686.b3lyp_6-31g(d).firefly.inp (generated)

045257686.b3lyp_6-31g(d).smash.inp (generated)

045257686.b3lyp_6-31g(d).nwchem.inp (generated) 045257686.b3lyp_6-31g(d).log.xz 045257686.td-b3lyp_6-31g+(d).inp 045257686.td-b3lyp_6-31g+(d).log.xz

045257686.td-b3lyp_6-31+g(d).qchem.inp (generated)

045257686.td-b3lyp_6-31+g(d).gjf (generated)

045257686.td-b3lyp_6-31+g(d).firefly.inp (generated)

045257686.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045257686.mol 045257686.PUBCHEM 045257686.mol (via Jmol)
045257687.b3lyp_6-31g(d).inp

045257687.b3lyp_6-31g(d).qchem.inp (generated)

045257687.b3lyp_6-31g(d).gjf (generated)

045257687.b3lyp_6-31g(d).firefly.inp (generated)

045257687.b3lyp_6-31g(d).smash.inp (generated)

045257687.b3lyp_6-31g(d).nwchem.inp (generated) 045257687.b3lyp_6-31g(d).log.xz 045257687.td-b3lyp_6-31g+(d).inp 045257687.td-b3lyp_6-31g+(d).log.xz

045257687.td-b3lyp_6-31+g(d).qchem.inp (generated)

045257687.td-b3lyp_6-31+g(d).gjf (generated)

045257687.td-b3lyp_6-31+g(d).firefly.inp (generated)

045257687.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045257687.mol 045257687.PUBCHEM 045257687.mol (via Jmol)
045257689.b3lyp_6-31g(d).inp

045257689.b3lyp_6-31g(d).qchem.inp (generated)

045257689.b3lyp_6-31g(d).gjf (generated)

045257689.b3lyp_6-31g(d).firefly.inp (generated)

045257689.b3lyp_6-31g(d).smash.inp (generated)

045257689.b3lyp_6-31g(d).nwchem.inp (generated) 045257689.b3lyp_6-31g(d).log.xz 045257689.td-b3lyp_6-31g+(d).inp 045257689.td-b3lyp_6-31g+(d).log.xz

045257689.td-b3lyp_6-31+g(d).qchem.inp (generated)

045257689.td-b3lyp_6-31+g(d).gjf (generated)

045257689.td-b3lyp_6-31+g(d).firefly.inp (generated)

045257689.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045257689.mol 045257689.PUBCHEM 045257689.mol (via Jmol)
045257690.b3lyp_6-31g(d).inp

045257690.b3lyp_6-31g(d).qchem.inp (generated)

045257690.b3lyp_6-31g(d).gjf (generated)

045257690.b3lyp_6-31g(d).firefly.inp (generated)

045257690.b3lyp_6-31g(d).smash.inp (generated)

045257690.b3lyp_6-31g(d).nwchem.inp (generated) 045257690.b3lyp_6-31g(d).log.xz 045257690.td-b3lyp_6-31g+(d).inp 045257690.td-b3lyp_6-31g+(d).log.xz

045257690.td-b3lyp_6-31+g(d).qchem.inp (generated)

045257690.td-b3lyp_6-31+g(d).gjf (generated)

045257690.td-b3lyp_6-31+g(d).firefly.inp (generated)

045257690.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045257690.mol 045257690.PUBCHEM 045257690.mol (via Jmol)
045257717.b3lyp_6-31g(d).inp

045257717.b3lyp_6-31g(d).qchem.inp (generated)

045257717.b3lyp_6-31g(d).gjf (generated)

045257717.b3lyp_6-31g(d).firefly.inp (generated)

045257717.b3lyp_6-31g(d).smash.inp (generated)

045257717.b3lyp_6-31g(d).nwchem.inp (generated) 045257717.b3lyp_6-31g(d).log.xz 045257717.td-b3lyp_6-31g+(d).inp 045257717.td-b3lyp_6-31g+(d).log.xz

045257717.td-b3lyp_6-31+g(d).qchem.inp (generated)

045257717.td-b3lyp_6-31+g(d).gjf (generated)

045257717.td-b3lyp_6-31+g(d).firefly.inp (generated)

045257717.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045257717.mol 045257717.PUBCHEM 045257717.mol (via Jmol)
045257719.b3lyp_6-31g(d).inp

045257719.b3lyp_6-31g(d).qchem.inp (generated)

045257719.b3lyp_6-31g(d).gjf (generated)

045257719.b3lyp_6-31g(d).firefly.inp (generated)

045257719.b3lyp_6-31g(d).smash.inp (generated)

045257719.b3lyp_6-31g(d).nwchem.inp (generated) 045257719.b3lyp_6-31g(d).log.xz 045257719.td-b3lyp_6-31g+(d).inp 045257719.td-b3lyp_6-31g+(d).log.xz

045257719.td-b3lyp_6-31+g(d).qchem.inp (generated)

045257719.td-b3lyp_6-31+g(d).gjf (generated)

045257719.td-b3lyp_6-31+g(d).firefly.inp (generated)

045257719.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045257719.mol 045257719.PUBCHEM 045257719.mol (via Jmol)
045257723.b3lyp_6-31g(d).inp

045257723.b3lyp_6-31g(d).qchem.inp (generated)

045257723.b3lyp_6-31g(d).gjf (generated)

045257723.b3lyp_6-31g(d).firefly.inp (generated)

045257723.b3lyp_6-31g(d).smash.inp (generated)

045257723.b3lyp_6-31g(d).nwchem.inp (generated) 045257723.b3lyp_6-31g(d).log.xz 045257723.td-b3lyp_6-31g+(d).inp 045257723.td-b3lyp_6-31g+(d).log.xz

045257723.td-b3lyp_6-31+g(d).qchem.inp (generated)

045257723.td-b3lyp_6-31+g(d).gjf (generated)

045257723.td-b3lyp_6-31+g(d).firefly.inp (generated)

045257723.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045257723.mol 045257723.PUBCHEM 045257723.mol (via Jmol)
045257733.b3lyp_6-31g(d).inp

045257733.b3lyp_6-31g(d).qchem.inp (generated)

045257733.b3lyp_6-31g(d).gjf (generated)

045257733.b3lyp_6-31g(d).firefly.inp (generated)

045257733.b3lyp_6-31g(d).smash.inp (generated)

045257733.b3lyp_6-31g(d).nwchem.inp (generated) 045257733.b3lyp_6-31g(d).log.xz 045257733.td-b3lyp_6-31g+(d).inp 045257733.td-b3lyp_6-31g+(d).log.xz

045257733.td-b3lyp_6-31+g(d).qchem.inp (generated)

045257733.td-b3lyp_6-31+g(d).gjf (generated)

045257733.td-b3lyp_6-31+g(d).firefly.inp (generated)

045257733.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045257733.mol 045257733.PUBCHEM 045257733.mol (via Jmol)
045257755.b3lyp_6-31g(d).inp

045257755.b3lyp_6-31g(d).qchem.inp (generated)

045257755.b3lyp_6-31g(d).gjf (generated)

045257755.b3lyp_6-31g(d).firefly.inp (generated)

045257755.b3lyp_6-31g(d).smash.inp (generated)

045257755.b3lyp_6-31g(d).nwchem.inp (generated) 045257755.b3lyp_6-31g(d).log.xz 045257755.td-b3lyp_6-31g+(d).inp 045257755.td-b3lyp_6-31g+(d).log.xz

045257755.td-b3lyp_6-31+g(d).qchem.inp (generated)

045257755.td-b3lyp_6-31+g(d).gjf (generated)

045257755.td-b3lyp_6-31+g(d).firefly.inp (generated)

045257755.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045257755.mol 045257755.PUBCHEM 045257755.mol (via Jmol)
045257763.b3lyp_6-31g(d).inp

045257763.b3lyp_6-31g(d).qchem.inp (generated)

045257763.b3lyp_6-31g(d).gjf (generated)

045257763.b3lyp_6-31g(d).firefly.inp (generated)

045257763.b3lyp_6-31g(d).smash.inp (generated)

045257763.b3lyp_6-31g(d).nwchem.inp (generated) 045257763.b3lyp_6-31g(d).log.xz 045257763.td-b3lyp_6-31g+(d).inp 045257763.td-b3lyp_6-31g+(d).log.xz

045257763.td-b3lyp_6-31+g(d).qchem.inp (generated)

045257763.td-b3lyp_6-31+g(d).gjf (generated)

045257763.td-b3lyp_6-31+g(d).firefly.inp (generated)

045257763.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045257763.mol 045257763.PUBCHEM 045257763.mol (via Jmol)
045257764.b3lyp_6-31g(d).inp

045257764.b3lyp_6-31g(d).qchem.inp (generated)

045257764.b3lyp_6-31g(d).gjf (generated)

045257764.b3lyp_6-31g(d).firefly.inp (generated)

045257764.b3lyp_6-31g(d).smash.inp (generated)

045257764.b3lyp_6-31g(d).nwchem.inp (generated) 045257764.b3lyp_6-31g(d).log.xz 045257764.mol 045257764.PUBCHEM 045257764.mol (via Jmol)
045257784.b3lyp_6-31g(d).inp

045257784.b3lyp_6-31g(d).qchem.inp (generated)

045257784.b3lyp_6-31g(d).gjf (generated)

045257784.b3lyp_6-31g(d).firefly.inp (generated)

045257784.b3lyp_6-31g(d).smash.inp (generated)

045257784.b3lyp_6-31g(d).nwchem.inp (generated) 045257784.b3lyp_6-31g(d).log.xz 045257784.td-b3lyp_6-31g+(d).inp 045257784.td-b3lyp_6-31g+(d).log.xz

045257784.td-b3lyp_6-31+g(d).qchem.inp (generated)

045257784.td-b3lyp_6-31+g(d).gjf (generated)

045257784.td-b3lyp_6-31+g(d).firefly.inp (generated)

045257784.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045257784.mol 045257784.PUBCHEM 045257784.mol (via Jmol)
045257800.b3lyp_6-31g(d).inp

045257800.b3lyp_6-31g(d).qchem.inp (generated)

045257800.b3lyp_6-31g(d).gjf (generated)

045257800.b3lyp_6-31g(d).firefly.inp (generated)

045257800.b3lyp_6-31g(d).smash.inp (generated)

045257800.b3lyp_6-31g(d).nwchem.inp (generated) 045257800.b3lyp_6-31g(d).log.xz 045257800.td-b3lyp_6-31g+(d).inp 045257800.td-b3lyp_6-31g+(d).log.xz

045257800.td-b3lyp_6-31+g(d).qchem.inp (generated)

045257800.td-b3lyp_6-31+g(d).gjf (generated)

045257800.td-b3lyp_6-31+g(d).firefly.inp (generated)

045257800.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045257800.mol 045257800.PUBCHEM 045257800.mol (via Jmol)
045257801.b3lyp_6-31g(d).inp

045257801.b3lyp_6-31g(d).qchem.inp (generated)

045257801.b3lyp_6-31g(d).gjf (generated)

045257801.b3lyp_6-31g(d).firefly.inp (generated)

045257801.b3lyp_6-31g(d).smash.inp (generated)

045257801.b3lyp_6-31g(d).nwchem.inp (generated) 045257801.b3lyp_6-31g(d).log.xz 045257801.mol 045257801.PUBCHEM 045257801.mol (via Jmol)
045257802.b3lyp_6-31g(d).inp

045257802.b3lyp_6-31g(d).qchem.inp (generated)

045257802.b3lyp_6-31g(d).gjf (generated)

045257802.b3lyp_6-31g(d).firefly.inp (generated)

045257802.b3lyp_6-31g(d).smash.inp (generated)

045257802.b3lyp_6-31g(d).nwchem.inp (generated) 045257802.b3lyp_6-31g(d).log.xz 045257802.td-b3lyp_6-31g+(d).inp 045257802.td-b3lyp_6-31g+(d).log.xz

045257802.td-b3lyp_6-31+g(d).qchem.inp (generated)

045257802.td-b3lyp_6-31+g(d).gjf (generated)

045257802.td-b3lyp_6-31+g(d).firefly.inp (generated)

045257802.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045257802.mol 045257802.PUBCHEM 045257802.mol (via Jmol)
045257807.b3lyp_6-31g(d).inp

045257807.b3lyp_6-31g(d).qchem.inp (generated)

045257807.b3lyp_6-31g(d).gjf (generated)

045257807.b3lyp_6-31g(d).firefly.inp (generated)

045257807.b3lyp_6-31g(d).smash.inp (generated)

045257807.b3lyp_6-31g(d).nwchem.inp (generated) 045257807.b3lyp_6-31g(d).log.xz 045257807.td-b3lyp_6-31g+(d).inp 045257807.td-b3lyp_6-31g+(d).log.xz

045257807.td-b3lyp_6-31+g(d).qchem.inp (generated)

045257807.td-b3lyp_6-31+g(d).gjf (generated)

045257807.td-b3lyp_6-31+g(d).firefly.inp (generated)

045257807.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045257807.mol 045257807.PUBCHEM 045257807.mol (via Jmol)
045257829.b3lyp_6-31g(d).inp

045257829.b3lyp_6-31g(d).qchem.inp (generated)

045257829.b3lyp_6-31g(d).gjf (generated)

045257829.b3lyp_6-31g(d).firefly.inp (generated)

045257829.b3lyp_6-31g(d).smash.inp (generated)

045257829.b3lyp_6-31g(d).nwchem.inp (generated) 045257829.b3lyp_6-31g(d).log.xz 045257829.td-b3lyp_6-31g+(d).inp 045257829.td-b3lyp_6-31g+(d).log.xz

045257829.td-b3lyp_6-31+g(d).qchem.inp (generated)

045257829.td-b3lyp_6-31+g(d).gjf (generated)

045257829.td-b3lyp_6-31+g(d).firefly.inp (generated)

045257829.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045257829.mol 045257829.PUBCHEM 045257829.mol (via Jmol)
045257871.b3lyp_6-31g(d).inp

045257871.b3lyp_6-31g(d).qchem.inp (generated)

045257871.b3lyp_6-31g(d).gjf (generated)

045257871.b3lyp_6-31g(d).firefly.inp (generated)

045257871.b3lyp_6-31g(d).smash.inp (generated)

045257871.b3lyp_6-31g(d).nwchem.inp (generated) 045257871.b3lyp_6-31g(d).log.xz 045257871.td-b3lyp_6-31g+(d).inp 045257871.td-b3lyp_6-31g+(d).log.xz

045257871.td-b3lyp_6-31+g(d).qchem.inp (generated)

045257871.td-b3lyp_6-31+g(d).gjf (generated)

045257871.td-b3lyp_6-31+g(d).firefly.inp (generated)

045257871.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045257871.mol 045257871.PUBCHEM 045257871.mol (via Jmol)
045257872.b3lyp_6-31g(d).inp

045257872.b3lyp_6-31g(d).qchem.inp (generated)

045257872.b3lyp_6-31g(d).gjf (generated)

045257872.b3lyp_6-31g(d).firefly.inp (generated)

045257872.b3lyp_6-31g(d).smash.inp (generated)

045257872.b3lyp_6-31g(d).nwchem.inp (generated) 045257872.b3lyp_6-31g(d).log.xz 045257872.td-b3lyp_6-31g+(d).inp 045257872.td-b3lyp_6-31g+(d).log.xz

045257872.td-b3lyp_6-31+g(d).qchem.inp (generated)

045257872.td-b3lyp_6-31+g(d).gjf (generated)

045257872.td-b3lyp_6-31+g(d).firefly.inp (generated)

045257872.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045257872.mol 045257872.PUBCHEM 045257872.mol (via Jmol)
045257890.b3lyp_6-31g(d).inp

045257890.b3lyp_6-31g(d).qchem.inp (generated)

045257890.b3lyp_6-31g(d).gjf (generated)

045257890.b3lyp_6-31g(d).firefly.inp (generated)

045257890.b3lyp_6-31g(d).smash.inp (generated)

045257890.b3lyp_6-31g(d).nwchem.inp (generated) 045257890.b3lyp_6-31g(d).log.xz 045257890.td-b3lyp_6-31g+(d).inp 045257890.td-b3lyp_6-31g+(d).log.xz

045257890.td-b3lyp_6-31+g(d).qchem.inp (generated)

045257890.td-b3lyp_6-31+g(d).gjf (generated)

045257890.td-b3lyp_6-31+g(d).firefly.inp (generated)

045257890.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045257890.mol 045257890.PUBCHEM 045257890.mol (via Jmol)
045257891.b3lyp_6-31g(d).inp

045257891.b3lyp_6-31g(d).qchem.inp (generated)

045257891.b3lyp_6-31g(d).gjf (generated)

045257891.b3lyp_6-31g(d).firefly.inp (generated)

045257891.b3lyp_6-31g(d).smash.inp (generated)

045257891.b3lyp_6-31g(d).nwchem.inp (generated) 045257891.b3lyp_6-31g(d).log.xz 045257891.td-b3lyp_6-31g+(d).inp 045257891.td-b3lyp_6-31g+(d).log.xz

045257891.td-b3lyp_6-31+g(d).qchem.inp (generated)

045257891.td-b3lyp_6-31+g(d).gjf (generated)

045257891.td-b3lyp_6-31+g(d).firefly.inp (generated)

045257891.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045257891.mol 045257891.PUBCHEM 045257891.mol (via Jmol)
045257894.b3lyp_6-31g(d).inp

045257894.b3lyp_6-31g(d).qchem.inp (generated)

045257894.b3lyp_6-31g(d).gjf (generated)

045257894.b3lyp_6-31g(d).firefly.inp (generated)

045257894.b3lyp_6-31g(d).smash.inp (generated)

045257894.b3lyp_6-31g(d).nwchem.inp (generated) 045257894.b3lyp_6-31g(d).log.xz 045257894.mol 045257894.PUBCHEM 045257894.mol (via Jmol)
045257900.b3lyp_6-31g(d).inp

045257900.b3lyp_6-31g(d).qchem.inp (generated)

045257900.b3lyp_6-31g(d).gjf (generated)

045257900.b3lyp_6-31g(d).firefly.inp (generated)

045257900.b3lyp_6-31g(d).smash.inp (generated)

045257900.b3lyp_6-31g(d).nwchem.inp (generated) 045257900.b3lyp_6-31g(d).log.xz 045257900.td-b3lyp_6-31g+(d).inp 045257900.td-b3lyp_6-31g+(d).log.xz

045257900.td-b3lyp_6-31+g(d).qchem.inp (generated)

045257900.td-b3lyp_6-31+g(d).gjf (generated)

045257900.td-b3lyp_6-31+g(d).firefly.inp (generated)

045257900.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045257900.mol 045257900.PUBCHEM 045257900.mol (via Jmol)
045257901.b3lyp_6-31g(d).inp

045257901.b3lyp_6-31g(d).qchem.inp (generated)

045257901.b3lyp_6-31g(d).gjf (generated)

045257901.b3lyp_6-31g(d).firefly.inp (generated)

045257901.b3lyp_6-31g(d).smash.inp (generated)

045257901.b3lyp_6-31g(d).nwchem.inp (generated) 045257901.b3lyp_6-31g(d).log.xz 045257901.td-b3lyp_6-31g+(d).inp 045257901.td-b3lyp_6-31g+(d).log.xz

045257901.td-b3lyp_6-31+g(d).qchem.inp (generated)

045257901.td-b3lyp_6-31+g(d).gjf (generated)

045257901.td-b3lyp_6-31+g(d).firefly.inp (generated)

045257901.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045257901.mol 045257901.PUBCHEM 045257901.mol (via Jmol)
045257902.b3lyp_6-31g(d).inp

045257902.b3lyp_6-31g(d).qchem.inp (generated)

045257902.b3lyp_6-31g(d).gjf (generated)

045257902.b3lyp_6-31g(d).firefly.inp (generated)

045257902.b3lyp_6-31g(d).smash.inp (generated)

045257902.b3lyp_6-31g(d).nwchem.inp (generated) 045257902.b3lyp_6-31g(d).log.xz 045257902.td-b3lyp_6-31g+(d).inp 045257902.td-b3lyp_6-31g+(d).log.xz

045257902.td-b3lyp_6-31+g(d).qchem.inp (generated)

045257902.td-b3lyp_6-31+g(d).gjf (generated)

045257902.td-b3lyp_6-31+g(d).firefly.inp (generated)

045257902.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045257902.mol 045257902.PUBCHEM 045257902.mol (via Jmol)
045257910.b3lyp_6-31g(d).inp

045257910.b3lyp_6-31g(d).qchem.inp (generated)

045257910.b3lyp_6-31g(d).gjf (generated)

045257910.b3lyp_6-31g(d).firefly.inp (generated)

045257910.b3lyp_6-31g(d).smash.inp (generated)

045257910.b3lyp_6-31g(d).nwchem.inp (generated) 045257910.b3lyp_6-31g(d).log.xz 045257910.mol 045257910.PUBCHEM 045257910.mol (via Jmol)
045257911.b3lyp_6-31g(d).inp

045257911.b3lyp_6-31g(d).qchem.inp (generated)

045257911.b3lyp_6-31g(d).gjf (generated)

045257911.b3lyp_6-31g(d).firefly.inp (generated)

045257911.b3lyp_6-31g(d).smash.inp (generated)

045257911.b3lyp_6-31g(d).nwchem.inp (generated) 045257911.b3lyp_6-31g(d).log.xz 045257911.td-b3lyp_6-31g+(d).inp 045257911.td-b3lyp_6-31g+(d).log.xz

045257911.td-b3lyp_6-31+g(d).qchem.inp (generated)

045257911.td-b3lyp_6-31+g(d).gjf (generated)

045257911.td-b3lyp_6-31+g(d).firefly.inp (generated)

045257911.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045257911.mol 045257911.PUBCHEM 045257911.mol (via Jmol)
045257922.b3lyp_6-31g(d).inp

045257922.b3lyp_6-31g(d).qchem.inp (generated)

045257922.b3lyp_6-31g(d).gjf (generated)

045257922.b3lyp_6-31g(d).firefly.inp (generated)

045257922.b3lyp_6-31g(d).smash.inp (generated)

045257922.b3lyp_6-31g(d).nwchem.inp (generated) 045257922.b3lyp_6-31g(d).log.xz 045257922.td-b3lyp_6-31g+(d).inp 045257922.td-b3lyp_6-31g+(d).log.xz

045257922.td-b3lyp_6-31+g(d).qchem.inp (generated)

045257922.td-b3lyp_6-31+g(d).gjf (generated)

045257922.td-b3lyp_6-31+g(d).firefly.inp (generated)

045257922.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045257922.mol 045257922.PUBCHEM 045257922.mol (via Jmol)
045257923.b3lyp_6-31g(d).inp

045257923.b3lyp_6-31g(d).qchem.inp (generated)

045257923.b3lyp_6-31g(d).gjf (generated)

045257923.b3lyp_6-31g(d).firefly.inp (generated)

045257923.b3lyp_6-31g(d).smash.inp (generated)

045257923.b3lyp_6-31g(d).nwchem.inp (generated) 045257923.b3lyp_6-31g(d).log.xz 045257923.td-b3lyp_6-31g+(d).inp 045257923.td-b3lyp_6-31g+(d).log.xz

045257923.td-b3lyp_6-31+g(d).qchem.inp (generated)

045257923.td-b3lyp_6-31+g(d).gjf (generated)

045257923.td-b3lyp_6-31+g(d).firefly.inp (generated)

045257923.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045257923.mol 045257923.PUBCHEM 045257923.mol (via Jmol)
045257924.b3lyp_6-31g(d).inp

045257924.b3lyp_6-31g(d).qchem.inp (generated)

045257924.b3lyp_6-31g(d).gjf (generated)

045257924.b3lyp_6-31g(d).firefly.inp (generated)

045257924.b3lyp_6-31g(d).smash.inp (generated)

045257924.b3lyp_6-31g(d).nwchem.inp (generated) 045257924.b3lyp_6-31g(d).log.xz 045257924.mol 045257924.PUBCHEM 045257924.mol (via Jmol)
045257925.b3lyp_6-31g(d).inp

045257925.b3lyp_6-31g(d).qchem.inp (generated)

045257925.b3lyp_6-31g(d).gjf (generated)

045257925.b3lyp_6-31g(d).firefly.inp (generated)

045257925.b3lyp_6-31g(d).smash.inp (generated)

045257925.b3lyp_6-31g(d).nwchem.inp (generated) 045257925.b3lyp_6-31g(d).log.xz 045257925.td-b3lyp_6-31g+(d).inp 045257925.td-b3lyp_6-31g+(d).log.xz

045257925.td-b3lyp_6-31+g(d).qchem.inp (generated)

045257925.td-b3lyp_6-31+g(d).gjf (generated)

045257925.td-b3lyp_6-31+g(d).firefly.inp (generated)

045257925.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045257925.mol 045257925.PUBCHEM 045257925.mol (via Jmol)
045257926.b3lyp_6-31g(d).inp

045257926.b3lyp_6-31g(d).qchem.inp (generated)

045257926.b3lyp_6-31g(d).gjf (generated)

045257926.b3lyp_6-31g(d).firefly.inp (generated)

045257926.b3lyp_6-31g(d).smash.inp (generated)

045257926.b3lyp_6-31g(d).nwchem.inp (generated) 045257926.b3lyp_6-31g(d).log.xz 045257926.mol 045257926.PUBCHEM 045257926.mol (via Jmol)
045257929.b3lyp_6-31g(d).inp

045257929.b3lyp_6-31g(d).qchem.inp (generated)

045257929.b3lyp_6-31g(d).gjf (generated)

045257929.b3lyp_6-31g(d).firefly.inp (generated)

045257929.b3lyp_6-31g(d).smash.inp (generated)

045257929.b3lyp_6-31g(d).nwchem.inp (generated) 045257929.b3lyp_6-31g(d).log.xz 045257929.td-b3lyp_6-31g+(d).inp 045257929.td-b3lyp_6-31g+(d).log.xz

045257929.td-b3lyp_6-31+g(d).qchem.inp (generated)

045257929.td-b3lyp_6-31+g(d).gjf (generated)

045257929.td-b3lyp_6-31+g(d).firefly.inp (generated)

045257929.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045257929.mol 045257929.PUBCHEM 045257929.mol (via Jmol)
045257943.b3lyp_6-31g(d).inp

045257943.b3lyp_6-31g(d).qchem.inp (generated)

045257943.b3lyp_6-31g(d).gjf (generated)

045257943.b3lyp_6-31g(d).firefly.inp (generated)

045257943.b3lyp_6-31g(d).smash.inp (generated)

045257943.b3lyp_6-31g(d).nwchem.inp (generated) 045257943.b3lyp_6-31g(d).log.xz 045257943.mol 045257943.PUBCHEM 045257943.mol (via Jmol)
045257975.b3lyp_6-31g(d).inp

045257975.b3lyp_6-31g(d).qchem.inp (generated)

045257975.b3lyp_6-31g(d).gjf (generated)

045257975.b3lyp_6-31g(d).firefly.inp (generated)

045257975.b3lyp_6-31g(d).smash.inp (generated)

045257975.b3lyp_6-31g(d).nwchem.inp (generated) 045257975.b3lyp_6-31g(d).log.xz 045257975.td-b3lyp_6-31g+(d).inp 045257975.td-b3lyp_6-31g+(d).log.xz

045257975.td-b3lyp_6-31+g(d).qchem.inp (generated)

045257975.td-b3lyp_6-31+g(d).gjf (generated)

045257975.td-b3lyp_6-31+g(d).firefly.inp (generated)

045257975.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045257975.mol 045257975.PUBCHEM 045257975.mol (via Jmol)
045257979.b3lyp_6-31g(d).inp

045257979.b3lyp_6-31g(d).qchem.inp (generated)

045257979.b3lyp_6-31g(d).gjf (generated)

045257979.b3lyp_6-31g(d).firefly.inp (generated)

045257979.b3lyp_6-31g(d).smash.inp (generated)

045257979.b3lyp_6-31g(d).nwchem.inp (generated) 045257979.b3lyp_6-31g(d).log.xz 045257979.td-b3lyp_6-31g+(d).inp 045257979.td-b3lyp_6-31g+(d).log.xz

045257979.td-b3lyp_6-31+g(d).qchem.inp (generated)

045257979.td-b3lyp_6-31+g(d).gjf (generated)

045257979.td-b3lyp_6-31+g(d).firefly.inp (generated)

045257979.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045257979.mol 045257979.PUBCHEM 045257979.mol (via Jmol)
045258000.b3lyp_6-31g(d).inp

045258000.b3lyp_6-31g(d).qchem.inp (generated)

045258000.b3lyp_6-31g(d).gjf (generated)

045258000.b3lyp_6-31g(d).firefly.inp (generated)

045258000.b3lyp_6-31g(d).smash.inp (generated)

045258000.b3lyp_6-31g(d).nwchem.inp (generated) 045258000.b3lyp_6-31g(d).log.xz 045258000.td-b3lyp_6-31g+(d).inp 045258000.td-b3lyp_6-31g+(d).log.xz

045258000.td-b3lyp_6-31+g(d).qchem.inp (generated)

045258000.td-b3lyp_6-31+g(d).gjf (generated)

045258000.td-b3lyp_6-31+g(d).firefly.inp (generated)

045258000.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045258000.mol 045258000.PUBCHEM 045258000.mol (via Jmol)
045258001.b3lyp_6-31g(d).inp

045258001.b3lyp_6-31g(d).qchem.inp (generated)

045258001.b3lyp_6-31g(d).gjf (generated)

045258001.b3lyp_6-31g(d).firefly.inp (generated)

045258001.b3lyp_6-31g(d).smash.inp (generated)

045258001.b3lyp_6-31g(d).nwchem.inp (generated) 045258001.b3lyp_6-31g(d).log.xz 045258001.td-b3lyp_6-31g+(d).inp 045258001.td-b3lyp_6-31g+(d).log.xz

045258001.td-b3lyp_6-31+g(d).qchem.inp (generated)

045258001.td-b3lyp_6-31+g(d).gjf (generated)

045258001.td-b3lyp_6-31+g(d).firefly.inp (generated)

045258001.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045258001.mol 045258001.PUBCHEM 045258001.mol (via Jmol)
045258022.b3lyp_6-31g(d).inp

045258022.b3lyp_6-31g(d).qchem.inp (generated)

045258022.b3lyp_6-31g(d).gjf (generated)

045258022.b3lyp_6-31g(d).firefly.inp (generated)

045258022.b3lyp_6-31g(d).smash.inp (generated)

045258022.b3lyp_6-31g(d).nwchem.inp (generated) 045258022.b3lyp_6-31g(d).log.xz 045258022.td-b3lyp_6-31g+(d).inp 045258022.td-b3lyp_6-31g+(d).log.xz

045258022.td-b3lyp_6-31+g(d).qchem.inp (generated)

045258022.td-b3lyp_6-31+g(d).gjf (generated)

045258022.td-b3lyp_6-31+g(d).firefly.inp (generated)

045258022.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045258022.mol 045258022.PUBCHEM 045258022.mol (via Jmol)
045258027.b3lyp_6-31g(d).inp

045258027.b3lyp_6-31g(d).qchem.inp (generated)

045258027.b3lyp_6-31g(d).gjf (generated)

045258027.b3lyp_6-31g(d).firefly.inp (generated)

045258027.b3lyp_6-31g(d).smash.inp (generated)

045258027.b3lyp_6-31g(d).nwchem.inp (generated) 045258027.b3lyp_6-31g(d).log.xz 045258027.td-b3lyp_6-31g+(d).inp 045258027.td-b3lyp_6-31g+(d).log.xz

045258027.td-b3lyp_6-31+g(d).qchem.inp (generated)

045258027.td-b3lyp_6-31+g(d).gjf (generated)

045258027.td-b3lyp_6-31+g(d).firefly.inp (generated)

045258027.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045258027.mol 045258027.PUBCHEM 045258027.mol (via Jmol)
045258028.b3lyp_6-31g(d).inp

045258028.b3lyp_6-31g(d).qchem.inp (generated)

045258028.b3lyp_6-31g(d).gjf (generated)

045258028.b3lyp_6-31g(d).firefly.inp (generated)

045258028.b3lyp_6-31g(d).smash.inp (generated)

045258028.b3lyp_6-31g(d).nwchem.inp (generated) 045258028.b3lyp_6-31g(d).log.xz 045258028.td-b3lyp_6-31g+(d).inp 045258028.td-b3lyp_6-31g+(d).log.xz

045258028.td-b3lyp_6-31+g(d).qchem.inp (generated)

045258028.td-b3lyp_6-31+g(d).gjf (generated)

045258028.td-b3lyp_6-31+g(d).firefly.inp (generated)

045258028.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045258028.mol 045258028.PUBCHEM 045258028.mol (via Jmol)
045258029.b3lyp_6-31g(d).inp

045258029.b3lyp_6-31g(d).qchem.inp (generated)

045258029.b3lyp_6-31g(d).gjf (generated)

045258029.b3lyp_6-31g(d).firefly.inp (generated)

045258029.b3lyp_6-31g(d).smash.inp (generated)

045258029.b3lyp_6-31g(d).nwchem.inp (generated) 045258029.b3lyp_6-31g(d).log.xz 045258029.mol 045258029.PUBCHEM 045258029.mol (via Jmol)
045258081.b3lyp_6-31g(d).inp

045258081.b3lyp_6-31g(d).qchem.inp (generated)

045258081.b3lyp_6-31g(d).gjf (generated)

045258081.b3lyp_6-31g(d).firefly.inp (generated)

045258081.b3lyp_6-31g(d).smash.inp (generated)

045258081.b3lyp_6-31g(d).nwchem.inp (generated) 045258081.b3lyp_6-31g(d).log.xz 045258081.td-b3lyp_6-31g+(d).inp 045258081.td-b3lyp_6-31g+(d).log.xz

045258081.td-b3lyp_6-31+g(d).qchem.inp (generated)

045258081.td-b3lyp_6-31+g(d).gjf (generated)

045258081.td-b3lyp_6-31+g(d).firefly.inp (generated)

045258081.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045258081.mol 045258081.PUBCHEM 045258081.mol (via Jmol)
045258082.b3lyp_6-31g(d).inp

045258082.b3lyp_6-31g(d).qchem.inp (generated)

045258082.b3lyp_6-31g(d).gjf (generated)

045258082.b3lyp_6-31g(d).firefly.inp (generated)

045258082.b3lyp_6-31g(d).smash.inp (generated)

045258082.b3lyp_6-31g(d).nwchem.inp (generated) 045258082.b3lyp_6-31g(d).log.xz 045258082.td-b3lyp_6-31g+(d).inp 045258082.td-b3lyp_6-31g+(d).log.xz

045258082.td-b3lyp_6-31+g(d).qchem.inp (generated)

045258082.td-b3lyp_6-31+g(d).gjf (generated)

045258082.td-b3lyp_6-31+g(d).firefly.inp (generated)

045258082.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045258082.mol 045258082.PUBCHEM 045258082.mol (via Jmol)
045258089.b3lyp_6-31g(d).inp

045258089.b3lyp_6-31g(d).qchem.inp (generated)

045258089.b3lyp_6-31g(d).gjf (generated)

045258089.b3lyp_6-31g(d).firefly.inp (generated)

045258089.b3lyp_6-31g(d).smash.inp (generated)

045258089.b3lyp_6-31g(d).nwchem.inp (generated) 045258089.b3lyp_6-31g(d).log.xz 045258089.td-b3lyp_6-31g+(d).inp 045258089.td-b3lyp_6-31g+(d).log.xz

045258089.td-b3lyp_6-31+g(d).qchem.inp (generated)

045258089.td-b3lyp_6-31+g(d).gjf (generated)

045258089.td-b3lyp_6-31+g(d).firefly.inp (generated)

045258089.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045258089.mol 045258089.PUBCHEM 045258089.mol (via Jmol)
045258092.b3lyp_6-31g(d).inp

045258092.b3lyp_6-31g(d).qchem.inp (generated)

045258092.b3lyp_6-31g(d).gjf (generated)

045258092.b3lyp_6-31g(d).firefly.inp (generated)

045258092.b3lyp_6-31g(d).smash.inp (generated)

045258092.b3lyp_6-31g(d).nwchem.inp (generated) 045258092.b3lyp_6-31g(d).log.xz 045258092.td-b3lyp_6-31g+(d).inp 045258092.td-b3lyp_6-31g+(d).log.xz

045258092.td-b3lyp_6-31+g(d).qchem.inp (generated)

045258092.td-b3lyp_6-31+g(d).gjf (generated)

045258092.td-b3lyp_6-31+g(d).firefly.inp (generated)

045258092.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045258092.mol 045258092.PUBCHEM 045258092.mol (via Jmol)
045258156.b3lyp_6-31g(d).inp

045258156.b3lyp_6-31g(d).qchem.inp (generated)

045258156.b3lyp_6-31g(d).gjf (generated)

045258156.b3lyp_6-31g(d).firefly.inp (generated)

045258156.b3lyp_6-31g(d).smash.inp (generated)

045258156.b3lyp_6-31g(d).nwchem.inp (generated) 045258156.b3lyp_6-31g(d).log.xz 045258156.td-b3lyp_6-31g+(d).inp 045258156.td-b3lyp_6-31g+(d).log.xz

045258156.td-b3lyp_6-31+g(d).qchem.inp (generated)

045258156.td-b3lyp_6-31+g(d).gjf (generated)

045258156.td-b3lyp_6-31+g(d).firefly.inp (generated)

045258156.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045258156.mol 045258156.PUBCHEM 045258156.mol (via Jmol)
045258186.b3lyp_6-31g(d).inp

045258186.b3lyp_6-31g(d).qchem.inp (generated)

045258186.b3lyp_6-31g(d).gjf (generated)

045258186.b3lyp_6-31g(d).firefly.inp (generated)

045258186.b3lyp_6-31g(d).smash.inp (generated)

045258186.b3lyp_6-31g(d).nwchem.inp (generated) 045258186.b3lyp_6-31g(d).log.xz 045258186.td-b3lyp_6-31g+(d).inp 045258186.td-b3lyp_6-31g+(d).log.xz

045258186.td-b3lyp_6-31+g(d).qchem.inp (generated)

045258186.td-b3lyp_6-31+g(d).gjf (generated)

045258186.td-b3lyp_6-31+g(d).firefly.inp (generated)

045258186.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045258186.mol 045258186.PUBCHEM 045258186.mol (via Jmol)
045258189.b3lyp_6-31g(d).inp

045258189.b3lyp_6-31g(d).qchem.inp (generated)

045258189.b3lyp_6-31g(d).gjf (generated)

045258189.b3lyp_6-31g(d).firefly.inp (generated)

045258189.b3lyp_6-31g(d).smash.inp (generated)

045258189.b3lyp_6-31g(d).nwchem.inp (generated) 045258189.b3lyp_6-31g(d).log.xz 045258189.mol 045258189.PUBCHEM 045258189.mol (via Jmol)
045258284.b3lyp_6-31g(d).inp

045258284.b3lyp_6-31g(d).qchem.inp (generated)

045258284.b3lyp_6-31g(d).gjf (generated)

045258284.b3lyp_6-31g(d).firefly.inp (generated)

045258284.b3lyp_6-31g(d).smash.inp (generated)

045258284.b3lyp_6-31g(d).nwchem.inp (generated) 045258284.b3lyp_6-31g(d).log.xz 045258284.mol 045258284.PUBCHEM 045258284.mol (via Jmol)
045258286.b3lyp_6-31g(d).inp

045258286.b3lyp_6-31g(d).qchem.inp (generated)

045258286.b3lyp_6-31g(d).gjf (generated)

045258286.b3lyp_6-31g(d).firefly.inp (generated)

045258286.b3lyp_6-31g(d).smash.inp (generated)

045258286.b3lyp_6-31g(d).nwchem.inp (generated) 045258286.b3lyp_6-31g(d).log.xz 045258286.td-b3lyp_6-31g+(d).inp 045258286.td-b3lyp_6-31g+(d).log.xz

045258286.td-b3lyp_6-31+g(d).qchem.inp (generated)

045258286.td-b3lyp_6-31+g(d).gjf (generated)

045258286.td-b3lyp_6-31+g(d).firefly.inp (generated)

045258286.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045258286.mol 045258286.PUBCHEM 045258286.mol (via Jmol)
045258358.b3lyp_6-31g(d).inp

045258358.b3lyp_6-31g(d).qchem.inp (generated)

045258358.b3lyp_6-31g(d).gjf (generated)

045258358.b3lyp_6-31g(d).firefly.inp (generated)

045258358.b3lyp_6-31g(d).smash.inp (generated)

045258358.b3lyp_6-31g(d).nwchem.inp (generated) 045258358.b3lyp_6-31g(d).log.xz 045258358.mol 045258358.PUBCHEM 045258358.mol (via Jmol)
045258378.b3lyp_6-31g(d).inp

045258378.b3lyp_6-31g(d).qchem.inp (generated)

045258378.b3lyp_6-31g(d).gjf (generated)

045258378.b3lyp_6-31g(d).firefly.inp (generated)

045258378.b3lyp_6-31g(d).smash.inp (generated)

045258378.b3lyp_6-31g(d).nwchem.inp (generated) 045258378.b3lyp_6-31g(d).log.xz 045258378.td-b3lyp_6-31g+(d).inp 045258378.td-b3lyp_6-31g+(d).log.xz

045258378.td-b3lyp_6-31+g(d).qchem.inp (generated)

045258378.td-b3lyp_6-31+g(d).gjf (generated)

045258378.td-b3lyp_6-31+g(d).firefly.inp (generated)

045258378.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045258378.mol 045258378.PUBCHEM 045258378.mol (via Jmol)
045258384.b3lyp_6-31g(d).inp

045258384.b3lyp_6-31g(d).qchem.inp (generated)

045258384.b3lyp_6-31g(d).gjf (generated)

045258384.b3lyp_6-31g(d).firefly.inp (generated)

045258384.b3lyp_6-31g(d).smash.inp (generated)

045258384.b3lyp_6-31g(d).nwchem.inp (generated) 045258384.b3lyp_6-31g(d).log.xz 045258384.td-b3lyp_6-31g+(d).inp 045258384.td-b3lyp_6-31g+(d).log.xz

045258384.td-b3lyp_6-31+g(d).qchem.inp (generated)

045258384.td-b3lyp_6-31+g(d).gjf (generated)

045258384.td-b3lyp_6-31+g(d).firefly.inp (generated)

045258384.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045258384.mol 045258384.PUBCHEM 045258384.mol (via Jmol)
045258397.b3lyp_6-31g(d).inp

045258397.b3lyp_6-31g(d).qchem.inp (generated)

045258397.b3lyp_6-31g(d).gjf (generated)

045258397.b3lyp_6-31g(d).firefly.inp (generated)

045258397.b3lyp_6-31g(d).smash.inp (generated)

045258397.b3lyp_6-31g(d).nwchem.inp (generated) 045258397.b3lyp_6-31g(d).log.xz 045258397.td-b3lyp_6-31g+(d).inp 045258397.td-b3lyp_6-31g+(d).log.xz

045258397.td-b3lyp_6-31+g(d).qchem.inp (generated)

045258397.td-b3lyp_6-31+g(d).gjf (generated)

045258397.td-b3lyp_6-31+g(d).firefly.inp (generated)

045258397.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045258397.mol 045258397.PUBCHEM 045258397.mol (via Jmol)
045258486.b3lyp_6-31g(d).inp

045258486.b3lyp_6-31g(d).qchem.inp (generated)

045258486.b3lyp_6-31g(d).gjf (generated)

045258486.b3lyp_6-31g(d).firefly.inp (generated)

045258486.b3lyp_6-31g(d).smash.inp (generated)

045258486.b3lyp_6-31g(d).nwchem.inp (generated) 045258486.b3lyp_6-31g(d).log.xz 045258486.td-b3lyp_6-31g+(d).inp 045258486.td-b3lyp_6-31g+(d).log.xz

045258486.td-b3lyp_6-31+g(d).qchem.inp (generated)

045258486.td-b3lyp_6-31+g(d).gjf (generated)

045258486.td-b3lyp_6-31+g(d).firefly.inp (generated)

045258486.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045258486.mol 045258486.PUBCHEM 045258486.mol (via Jmol)
045258495.b3lyp_6-31g(d).inp

045258495.b3lyp_6-31g(d).qchem.inp (generated)

045258495.b3lyp_6-31g(d).gjf (generated)

045258495.b3lyp_6-31g(d).firefly.inp (generated)

045258495.b3lyp_6-31g(d).smash.inp (generated)

045258495.b3lyp_6-31g(d).nwchem.inp (generated) 045258495.b3lyp_6-31g(d).log.xz 045258495.mol 045258495.PUBCHEM 045258495.mol (via Jmol)
045258496.b3lyp_6-31g(d).inp

045258496.b3lyp_6-31g(d).qchem.inp (generated)

045258496.b3lyp_6-31g(d).gjf (generated)

045258496.b3lyp_6-31g(d).firefly.inp (generated)

045258496.b3lyp_6-31g(d).smash.inp (generated)

045258496.b3lyp_6-31g(d).nwchem.inp (generated) 045258496.b3lyp_6-31g(d).log.xz 045258496.td-b3lyp_6-31g+(d).inp 045258496.td-b3lyp_6-31g+(d).log.xz

045258496.td-b3lyp_6-31+g(d).qchem.inp (generated)

045258496.td-b3lyp_6-31+g(d).gjf (generated)

045258496.td-b3lyp_6-31+g(d).firefly.inp (generated)

045258496.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045258496.mol 045258496.PUBCHEM 045258496.mol (via Jmol)
045258498.b3lyp_6-31g(d).inp

045258498.b3lyp_6-31g(d).qchem.inp (generated)

045258498.b3lyp_6-31g(d).gjf (generated)

045258498.b3lyp_6-31g(d).firefly.inp (generated)

045258498.b3lyp_6-31g(d).smash.inp (generated)

045258498.b3lyp_6-31g(d).nwchem.inp (generated) 045258498.b3lyp_6-31g(d).log.xz 045258498.td-b3lyp_6-31g+(d).inp 045258498.td-b3lyp_6-31g+(d).log.xz

045258498.td-b3lyp_6-31+g(d).qchem.inp (generated)

045258498.td-b3lyp_6-31+g(d).gjf (generated)

045258498.td-b3lyp_6-31+g(d).firefly.inp (generated)

045258498.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045258498.mol 045258498.PUBCHEM 045258498.mol (via Jmol)
045258502.b3lyp_6-31g(d).inp

045258502.b3lyp_6-31g(d).qchem.inp (generated)

045258502.b3lyp_6-31g(d).gjf (generated)

045258502.b3lyp_6-31g(d).firefly.inp (generated)

045258502.b3lyp_6-31g(d).smash.inp (generated)

045258502.b3lyp_6-31g(d).nwchem.inp (generated) 045258502.b3lyp_6-31g(d).log.xz 045258502.td-b3lyp_6-31g+(d).inp 045258502.td-b3lyp_6-31g+(d).log.xz

045258502.td-b3lyp_6-31+g(d).qchem.inp (generated)

045258502.td-b3lyp_6-31+g(d).gjf (generated)

045258502.td-b3lyp_6-31+g(d).firefly.inp (generated)

045258502.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045258502.mol 045258502.PUBCHEM 045258502.mol (via Jmol)
045258508.b3lyp_6-31g(d).inp

045258508.b3lyp_6-31g(d).qchem.inp (generated)

045258508.b3lyp_6-31g(d).gjf (generated)

045258508.b3lyp_6-31g(d).firefly.inp (generated)

045258508.b3lyp_6-31g(d).smash.inp (generated)

045258508.b3lyp_6-31g(d).nwchem.inp (generated) 045258508.b3lyp_6-31g(d).log.xz 045258508.td-b3lyp_6-31g+(d).inp 045258508.td-b3lyp_6-31g+(d).log.xz

045258508.td-b3lyp_6-31+g(d).qchem.inp (generated)

045258508.td-b3lyp_6-31+g(d).gjf (generated)

045258508.td-b3lyp_6-31+g(d).firefly.inp (generated)

045258508.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045258508.mol 045258508.PUBCHEM 045258508.mol (via Jmol)
045258511.b3lyp_6-31g(d).inp

045258511.b3lyp_6-31g(d).qchem.inp (generated)

045258511.b3lyp_6-31g(d).gjf (generated)

045258511.b3lyp_6-31g(d).firefly.inp (generated)

045258511.b3lyp_6-31g(d).smash.inp (generated)

045258511.b3lyp_6-31g(d).nwchem.inp (generated) 045258511.b3lyp_6-31g(d).log.xz 045258511.td-b3lyp_6-31g+(d).inp 045258511.td-b3lyp_6-31g+(d).log.xz

045258511.td-b3lyp_6-31+g(d).qchem.inp (generated)

045258511.td-b3lyp_6-31+g(d).gjf (generated)

045258511.td-b3lyp_6-31+g(d).firefly.inp (generated)

045258511.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045258511.mol 045258511.PUBCHEM 045258511.mol (via Jmol)
045258512.b3lyp_6-31g(d).inp

045258512.b3lyp_6-31g(d).qchem.inp (generated)

045258512.b3lyp_6-31g(d).gjf (generated)

045258512.b3lyp_6-31g(d).firefly.inp (generated)

045258512.b3lyp_6-31g(d).smash.inp (generated)

045258512.b3lyp_6-31g(d).nwchem.inp (generated) 045258512.b3lyp_6-31g(d).log.xz 045258512.td-b3lyp_6-31g+(d).inp 045258512.td-b3lyp_6-31g+(d).log.xz

045258512.td-b3lyp_6-31+g(d).qchem.inp (generated)

045258512.td-b3lyp_6-31+g(d).gjf (generated)

045258512.td-b3lyp_6-31+g(d).firefly.inp (generated)

045258512.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045258512.mol 045258512.PUBCHEM 045258512.mol (via Jmol)
045258513.b3lyp_6-31g(d).inp

045258513.b3lyp_6-31g(d).qchem.inp (generated)

045258513.b3lyp_6-31g(d).gjf (generated)

045258513.b3lyp_6-31g(d).firefly.inp (generated)

045258513.b3lyp_6-31g(d).smash.inp (generated)

045258513.b3lyp_6-31g(d).nwchem.inp (generated) 045258513.b3lyp_6-31g(d).log.xz 045258513.td-b3lyp_6-31g+(d).inp 045258513.td-b3lyp_6-31g+(d).log.xz

045258513.td-b3lyp_6-31+g(d).qchem.inp (generated)

045258513.td-b3lyp_6-31+g(d).gjf (generated)

045258513.td-b3lyp_6-31+g(d).firefly.inp (generated)

045258513.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045258513.mol 045258513.PUBCHEM 045258513.mol (via Jmol)
045258514.b3lyp_6-31g(d).inp

045258514.b3lyp_6-31g(d).qchem.inp (generated)

045258514.b3lyp_6-31g(d).gjf (generated)

045258514.b3lyp_6-31g(d).firefly.inp (generated)

045258514.b3lyp_6-31g(d).smash.inp (generated)

045258514.b3lyp_6-31g(d).nwchem.inp (generated) 045258514.b3lyp_6-31g(d).log.xz 045258514.td-b3lyp_6-31g+(d).inp 045258514.td-b3lyp_6-31g+(d).log.xz

045258514.td-b3lyp_6-31+g(d).qchem.inp (generated)

045258514.td-b3lyp_6-31+g(d).gjf (generated)

045258514.td-b3lyp_6-31+g(d).firefly.inp (generated)

045258514.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045258514.mol 045258514.PUBCHEM 045258514.mol (via Jmol)
045258518.b3lyp_6-31g(d).inp

045258518.b3lyp_6-31g(d).qchem.inp (generated)

045258518.b3lyp_6-31g(d).gjf (generated)

045258518.b3lyp_6-31g(d).firefly.inp (generated)

045258518.b3lyp_6-31g(d).smash.inp (generated)

045258518.b3lyp_6-31g(d).nwchem.inp (generated) 045258518.b3lyp_6-31g(d).log.xz 045258518.td-b3lyp_6-31g+(d).inp 045258518.td-b3lyp_6-31g+(d).log.xz

045258518.td-b3lyp_6-31+g(d).qchem.inp (generated)

045258518.td-b3lyp_6-31+g(d).gjf (generated)

045258518.td-b3lyp_6-31+g(d).firefly.inp (generated)

045258518.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045258518.mol 045258518.PUBCHEM 045258518.mol (via Jmol)
045258549.b3lyp_6-31g(d).inp

045258549.b3lyp_6-31g(d).qchem.inp (generated)

045258549.b3lyp_6-31g(d).gjf (generated)

045258549.b3lyp_6-31g(d).firefly.inp (generated)

045258549.b3lyp_6-31g(d).smash.inp (generated)

045258549.b3lyp_6-31g(d).nwchem.inp (generated) 045258549.b3lyp_6-31g(d).log.xz 045258549.mol 045258549.PUBCHEM 045258549.mol (via Jmol)
045258550.b3lyp_6-31g(d).inp

045258550.b3lyp_6-31g(d).qchem.inp (generated)

045258550.b3lyp_6-31g(d).gjf (generated)

045258550.b3lyp_6-31g(d).firefly.inp (generated)

045258550.b3lyp_6-31g(d).smash.inp (generated)

045258550.b3lyp_6-31g(d).nwchem.inp (generated) 045258550.b3lyp_6-31g(d).log.xz 045258550.td-b3lyp_6-31g+(d).inp 045258550.td-b3lyp_6-31g+(d).log.xz

045258550.td-b3lyp_6-31+g(d).qchem.inp (generated)

045258550.td-b3lyp_6-31+g(d).gjf (generated)

045258550.td-b3lyp_6-31+g(d).firefly.inp (generated)

045258550.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045258550.mol 045258550.PUBCHEM 045258550.mol (via Jmol)
045258565.b3lyp_6-31g(d).inp

045258565.b3lyp_6-31g(d).qchem.inp (generated)

045258565.b3lyp_6-31g(d).gjf (generated)

045258565.b3lyp_6-31g(d).firefly.inp (generated)

045258565.b3lyp_6-31g(d).smash.inp (generated)

045258565.b3lyp_6-31g(d).nwchem.inp (generated) 045258565.b3lyp_6-31g(d).log.xz 045258565.td-b3lyp_6-31g+(d).inp 045258565.td-b3lyp_6-31g+(d).log.xz

045258565.td-b3lyp_6-31+g(d).qchem.inp (generated)

045258565.td-b3lyp_6-31+g(d).gjf (generated)

045258565.td-b3lyp_6-31+g(d).firefly.inp (generated)

045258565.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045258565.mol 045258565.PUBCHEM 045258565.mol (via Jmol)
045258630.b3lyp_6-31g(d).inp

045258630.b3lyp_6-31g(d).qchem.inp (generated)

045258630.b3lyp_6-31g(d).gjf (generated)

045258630.b3lyp_6-31g(d).firefly.inp (generated)

045258630.b3lyp_6-31g(d).smash.inp (generated)

045258630.b3lyp_6-31g(d).nwchem.inp (generated) 045258630.b3lyp_6-31g(d).log.xz 045258630.td-b3lyp_6-31g+(d).inp 045258630.td-b3lyp_6-31g+(d).log.xz

045258630.td-b3lyp_6-31+g(d).qchem.inp (generated)

045258630.td-b3lyp_6-31+g(d).gjf (generated)

045258630.td-b3lyp_6-31+g(d).firefly.inp (generated)

045258630.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045258630.mol 045258630.PUBCHEM 045258630.mol (via Jmol)
045258638.b3lyp_6-31g(d).inp

045258638.b3lyp_6-31g(d).qchem.inp (generated)

045258638.b3lyp_6-31g(d).gjf (generated)

045258638.b3lyp_6-31g(d).firefly.inp (generated)

045258638.b3lyp_6-31g(d).smash.inp (generated)

045258638.b3lyp_6-31g(d).nwchem.inp (generated) 045258638.b3lyp_6-31g(d).log.xz 045258638.td-b3lyp_6-31g+(d).inp 045258638.td-b3lyp_6-31g+(d).log.xz

045258638.td-b3lyp_6-31+g(d).qchem.inp (generated)

045258638.td-b3lyp_6-31+g(d).gjf (generated)

045258638.td-b3lyp_6-31+g(d).firefly.inp (generated)

045258638.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045258638.mol 045258638.PUBCHEM 045258638.mol (via Jmol)
045258679.b3lyp_6-31g(d).inp

045258679.b3lyp_6-31g(d).qchem.inp (generated)

045258679.b3lyp_6-31g(d).gjf (generated)

045258679.b3lyp_6-31g(d).firefly.inp (generated)

045258679.b3lyp_6-31g(d).smash.inp (generated)

045258679.b3lyp_6-31g(d).nwchem.inp (generated) 045258679.b3lyp_6-31g(d).log.xz 045258679.td-b3lyp_6-31g+(d).inp 045258679.td-b3lyp_6-31g+(d).log.xz

045258679.td-b3lyp_6-31+g(d).qchem.inp (generated)

045258679.td-b3lyp_6-31+g(d).gjf (generated)

045258679.td-b3lyp_6-31+g(d).firefly.inp (generated)

045258679.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045258679.mol 045258679.PUBCHEM 045258679.mol (via Jmol)
045258680.b3lyp_6-31g(d).inp

045258680.b3lyp_6-31g(d).qchem.inp (generated)

045258680.b3lyp_6-31g(d).gjf (generated)

045258680.b3lyp_6-31g(d).firefly.inp (generated)

045258680.b3lyp_6-31g(d).smash.inp (generated)

045258680.b3lyp_6-31g(d).nwchem.inp (generated) 045258680.b3lyp_6-31g(d).log.xz 045258680.td-b3lyp_6-31g+(d).inp 045258680.td-b3lyp_6-31g+(d).log.xz

045258680.td-b3lyp_6-31+g(d).qchem.inp (generated)

045258680.td-b3lyp_6-31+g(d).gjf (generated)

045258680.td-b3lyp_6-31+g(d).firefly.inp (generated)

045258680.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045258680.mol 045258680.PUBCHEM 045258680.mol (via Jmol)
045258699.b3lyp_6-31g(d).inp

045258699.b3lyp_6-31g(d).qchem.inp (generated)

045258699.b3lyp_6-31g(d).gjf (generated)

045258699.b3lyp_6-31g(d).firefly.inp (generated)

045258699.b3lyp_6-31g(d).smash.inp (generated)

045258699.b3lyp_6-31g(d).nwchem.inp (generated) 045258699.b3lyp_6-31g(d).log.xz 045258699.td-b3lyp_6-31g+(d).inp 045258699.td-b3lyp_6-31g+(d).log.xz

045258699.td-b3lyp_6-31+g(d).qchem.inp (generated)

045258699.td-b3lyp_6-31+g(d).gjf (generated)

045258699.td-b3lyp_6-31+g(d).firefly.inp (generated)

045258699.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045258699.mol 045258699.PUBCHEM 045258699.mol (via Jmol)
045258701.b3lyp_6-31g(d).inp

045258701.b3lyp_6-31g(d).qchem.inp (generated)

045258701.b3lyp_6-31g(d).gjf (generated)

045258701.b3lyp_6-31g(d).firefly.inp (generated)

045258701.b3lyp_6-31g(d).smash.inp (generated)

045258701.b3lyp_6-31g(d).nwchem.inp (generated) 045258701.b3lyp_6-31g(d).log.xz 045258701.td-b3lyp_6-31g+(d).inp 045258701.td-b3lyp_6-31g+(d).log.xz

045258701.td-b3lyp_6-31+g(d).qchem.inp (generated)

045258701.td-b3lyp_6-31+g(d).gjf (generated)

045258701.td-b3lyp_6-31+g(d).firefly.inp (generated)

045258701.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045258701.mol 045258701.PUBCHEM 045258701.mol (via Jmol)
045258704.b3lyp_6-31g(d).inp

045258704.b3lyp_6-31g(d).qchem.inp (generated)

045258704.b3lyp_6-31g(d).gjf (generated)

045258704.b3lyp_6-31g(d).firefly.inp (generated)

045258704.b3lyp_6-31g(d).smash.inp (generated)

045258704.b3lyp_6-31g(d).nwchem.inp (generated) 045258704.b3lyp_6-31g(d).log.xz 045258704.td-b3lyp_6-31g+(d).inp 045258704.td-b3lyp_6-31g+(d).log.xz

045258704.td-b3lyp_6-31+g(d).qchem.inp (generated)

045258704.td-b3lyp_6-31+g(d).gjf (generated)

045258704.td-b3lyp_6-31+g(d).firefly.inp (generated)

045258704.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045258704.mol 045258704.PUBCHEM 045258704.mol (via Jmol)
045258738.b3lyp_6-31g(d).inp

045258738.b3lyp_6-31g(d).qchem.inp (generated)

045258738.b3lyp_6-31g(d).gjf (generated)

045258738.b3lyp_6-31g(d).firefly.inp (generated)

045258738.b3lyp_6-31g(d).smash.inp (generated)

045258738.b3lyp_6-31g(d).nwchem.inp (generated) 045258738.b3lyp_6-31g(d).log.xz 045258738.td-b3lyp_6-31g+(d).inp 045258738.td-b3lyp_6-31g+(d).log.xz

045258738.td-b3lyp_6-31+g(d).qchem.inp (generated)

045258738.td-b3lyp_6-31+g(d).gjf (generated)

045258738.td-b3lyp_6-31+g(d).firefly.inp (generated)

045258738.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045258738.mol 045258738.PUBCHEM 045258738.mol (via Jmol)
045258739.b3lyp_6-31g(d).inp

045258739.b3lyp_6-31g(d).qchem.inp (generated)

045258739.b3lyp_6-31g(d).gjf (generated)

045258739.b3lyp_6-31g(d).firefly.inp (generated)

045258739.b3lyp_6-31g(d).smash.inp (generated)

045258739.b3lyp_6-31g(d).nwchem.inp (generated) 045258739.b3lyp_6-31g(d).log.xz 045258739.td-b3lyp_6-31g+(d).inp 045258739.td-b3lyp_6-31g+(d).log.xz

045258739.td-b3lyp_6-31+g(d).qchem.inp (generated)

045258739.td-b3lyp_6-31+g(d).gjf (generated)

045258739.td-b3lyp_6-31+g(d).firefly.inp (generated)

045258739.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045258739.mol 045258739.PUBCHEM 045258739.mol (via Jmol)
045258824.b3lyp_6-31g(d).inp

045258824.b3lyp_6-31g(d).qchem.inp (generated)

045258824.b3lyp_6-31g(d).gjf (generated)

045258824.b3lyp_6-31g(d).firefly.inp (generated)

045258824.b3lyp_6-31g(d).smash.inp (generated)

045258824.b3lyp_6-31g(d).nwchem.inp (generated) 045258824.b3lyp_6-31g(d).log.xz 045258824.mol 045258824.PUBCHEM 045258824.mol (via Jmol)
045258826.b3lyp_6-31g(d).inp

045258826.b3lyp_6-31g(d).qchem.inp (generated)

045258826.b3lyp_6-31g(d).gjf (generated)

045258826.b3lyp_6-31g(d).firefly.inp (generated)

045258826.b3lyp_6-31g(d).smash.inp (generated)

045258826.b3lyp_6-31g(d).nwchem.inp (generated) 045258826.b3lyp_6-31g(d).log.xz 045258826.mol 045258826.PUBCHEM 045258826.mol (via Jmol)
045258832.b3lyp_6-31g(d).inp

045258832.b3lyp_6-31g(d).qchem.inp (generated)

045258832.b3lyp_6-31g(d).gjf (generated)

045258832.b3lyp_6-31g(d).firefly.inp (generated)

045258832.b3lyp_6-31g(d).smash.inp (generated)

045258832.b3lyp_6-31g(d).nwchem.inp (generated) 045258832.b3lyp_6-31g(d).log.xz 045258832.td-b3lyp_6-31g+(d).inp 045258832.td-b3lyp_6-31g+(d).log.xz

045258832.td-b3lyp_6-31+g(d).qchem.inp (generated)

045258832.td-b3lyp_6-31+g(d).gjf (generated)

045258832.td-b3lyp_6-31+g(d).firefly.inp (generated)

045258832.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045258832.mol 045258832.PUBCHEM 045258832.mol (via Jmol)
045258837.b3lyp_6-31g(d).inp

045258837.b3lyp_6-31g(d).qchem.inp (generated)

045258837.b3lyp_6-31g(d).gjf (generated)

045258837.b3lyp_6-31g(d).firefly.inp (generated)

045258837.b3lyp_6-31g(d).smash.inp (generated)

045258837.b3lyp_6-31g(d).nwchem.inp (generated) 045258837.b3lyp_6-31g(d).log.xz 045258837.mol 045258837.PUBCHEM 045258837.mol (via Jmol)
045258891.b3lyp_6-31g(d).inp

045258891.b3lyp_6-31g(d).qchem.inp (generated)

045258891.b3lyp_6-31g(d).gjf (generated)

045258891.b3lyp_6-31g(d).firefly.inp (generated)

045258891.b3lyp_6-31g(d).smash.inp (generated)

045258891.b3lyp_6-31g(d).nwchem.inp (generated) 045258891.b3lyp_6-31g(d).log.xz 045258891.td-b3lyp_6-31g+(d).inp 045258891.td-b3lyp_6-31g+(d).log.xz

045258891.td-b3lyp_6-31+g(d).qchem.inp (generated)

045258891.td-b3lyp_6-31+g(d).gjf (generated)

045258891.td-b3lyp_6-31+g(d).firefly.inp (generated)

045258891.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045258891.mol 045258891.PUBCHEM 045258891.mol (via Jmol)
045258913.b3lyp_6-31g(d).inp

045258913.b3lyp_6-31g(d).qchem.inp (generated)

045258913.b3lyp_6-31g(d).gjf (generated)

045258913.b3lyp_6-31g(d).firefly.inp (generated)

045258913.b3lyp_6-31g(d).smash.inp (generated)

045258913.b3lyp_6-31g(d).nwchem.inp (generated) 045258913.b3lyp_6-31g(d).log.xz 045258913.td-b3lyp_6-31g+(d).inp 045258913.td-b3lyp_6-31g+(d).log.xz

045258913.td-b3lyp_6-31+g(d).qchem.inp (generated)

045258913.td-b3lyp_6-31+g(d).gjf (generated)

045258913.td-b3lyp_6-31+g(d).firefly.inp (generated)

045258913.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045258913.mol 045258913.PUBCHEM 045258913.mol (via Jmol)
045258937.b3lyp_6-31g(d).inp

045258937.b3lyp_6-31g(d).qchem.inp (generated)

045258937.b3lyp_6-31g(d).gjf (generated)

045258937.b3lyp_6-31g(d).firefly.inp (generated)

045258937.b3lyp_6-31g(d).smash.inp (generated)

045258937.b3lyp_6-31g(d).nwchem.inp (generated) 045258937.b3lyp_6-31g(d).log.xz 045258937.td-b3lyp_6-31g+(d).inp 045258937.td-b3lyp_6-31g+(d).log.xz

045258937.td-b3lyp_6-31+g(d).qchem.inp (generated)

045258937.td-b3lyp_6-31+g(d).gjf (generated)

045258937.td-b3lyp_6-31+g(d).firefly.inp (generated)

045258937.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045258937.mol 045258937.PUBCHEM 045258937.mol (via Jmol)
045258938.b3lyp_6-31g(d).inp

045258938.b3lyp_6-31g(d).qchem.inp (generated)

045258938.b3lyp_6-31g(d).gjf (generated)

045258938.b3lyp_6-31g(d).firefly.inp (generated)

045258938.b3lyp_6-31g(d).smash.inp (generated)

045258938.b3lyp_6-31g(d).nwchem.inp (generated) 045258938.b3lyp_6-31g(d).log.xz 045258938.td-b3lyp_6-31g+(d).inp 045258938.td-b3lyp_6-31g+(d).log.xz

045258938.td-b3lyp_6-31+g(d).qchem.inp (generated)

045258938.td-b3lyp_6-31+g(d).gjf (generated)

045258938.td-b3lyp_6-31+g(d).firefly.inp (generated)

045258938.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045258938.mol 045258938.PUBCHEM 045258938.mol (via Jmol)
045258947.b3lyp_6-31g(d).inp

045258947.b3lyp_6-31g(d).qchem.inp (generated)

045258947.b3lyp_6-31g(d).gjf (generated)

045258947.b3lyp_6-31g(d).firefly.inp (generated)

045258947.b3lyp_6-31g(d).smash.inp (generated)

045258947.b3lyp_6-31g(d).nwchem.inp (generated) 045258947.b3lyp_6-31g(d).log.xz 045258947.td-b3lyp_6-31g+(d).inp 045258947.td-b3lyp_6-31g+(d).log.xz

045258947.td-b3lyp_6-31+g(d).qchem.inp (generated)

045258947.td-b3lyp_6-31+g(d).gjf (generated)

045258947.td-b3lyp_6-31+g(d).firefly.inp (generated)

045258947.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045258947.mol 045258947.PUBCHEM 045258947.mol (via Jmol)
045258951.b3lyp_6-31g(d).inp

045258951.b3lyp_6-31g(d).qchem.inp (generated)

045258951.b3lyp_6-31g(d).gjf (generated)

045258951.b3lyp_6-31g(d).firefly.inp (generated)

045258951.b3lyp_6-31g(d).smash.inp (generated)

045258951.b3lyp_6-31g(d).nwchem.inp (generated) 045258951.b3lyp_6-31g(d).log.xz 045258951.td-b3lyp_6-31g+(d).inp 045258951.td-b3lyp_6-31g+(d).log.xz

045258951.td-b3lyp_6-31+g(d).qchem.inp (generated)

045258951.td-b3lyp_6-31+g(d).gjf (generated)

045258951.td-b3lyp_6-31+g(d).firefly.inp (generated)

045258951.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045258951.mol 045258951.PUBCHEM 045258951.mol (via Jmol)
045259048.b3lyp_6-31g(d).inp

045259048.b3lyp_6-31g(d).qchem.inp (generated)

045259048.b3lyp_6-31g(d).gjf (generated)

045259048.b3lyp_6-31g(d).firefly.inp (generated)

045259048.b3lyp_6-31g(d).smash.inp (generated)

045259048.b3lyp_6-31g(d).nwchem.inp (generated) 045259048.b3lyp_6-31g(d).log.xz 045259048.td-b3lyp_6-31g+(d).inp 045259048.td-b3lyp_6-31g+(d).log.xz

045259048.td-b3lyp_6-31+g(d).qchem.inp (generated)

045259048.td-b3lyp_6-31+g(d).gjf (generated)

045259048.td-b3lyp_6-31+g(d).firefly.inp (generated)

045259048.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045259048.mol 045259048.PUBCHEM 045259048.mol (via Jmol)
045259124.b3lyp_6-31g(d).inp

045259124.b3lyp_6-31g(d).qchem.inp (generated)

045259124.b3lyp_6-31g(d).gjf (generated)

045259124.b3lyp_6-31g(d).firefly.inp (generated)

045259124.b3lyp_6-31g(d).smash.inp (generated)

045259124.b3lyp_6-31g(d).nwchem.inp (generated) 045259124.b3lyp_6-31g(d).log.xz 045259124.td-b3lyp_6-31g+(d).inp 045259124.td-b3lyp_6-31g+(d).log.xz

045259124.td-b3lyp_6-31+g(d).qchem.inp (generated)

045259124.td-b3lyp_6-31+g(d).gjf (generated)

045259124.td-b3lyp_6-31+g(d).firefly.inp (generated)

045259124.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045259124.mol 045259124.PUBCHEM 045259124.mol (via Jmol)
045259125.b3lyp_6-31g(d).inp

045259125.b3lyp_6-31g(d).qchem.inp (generated)

045259125.b3lyp_6-31g(d).gjf (generated)

045259125.b3lyp_6-31g(d).firefly.inp (generated)

045259125.b3lyp_6-31g(d).smash.inp (generated)

045259125.b3lyp_6-31g(d).nwchem.inp (generated) 045259125.b3lyp_6-31g(d).log.xz 045259125.td-b3lyp_6-31g+(d).inp 045259125.td-b3lyp_6-31g+(d).log.xz

045259125.td-b3lyp_6-31+g(d).qchem.inp (generated)

045259125.td-b3lyp_6-31+g(d).gjf (generated)

045259125.td-b3lyp_6-31+g(d).firefly.inp (generated)

045259125.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045259125.mol 045259125.PUBCHEM 045259125.mol (via Jmol)
045259126.b3lyp_6-31g(d).inp

045259126.b3lyp_6-31g(d).qchem.inp (generated)

045259126.b3lyp_6-31g(d).gjf (generated)

045259126.b3lyp_6-31g(d).firefly.inp (generated)

045259126.b3lyp_6-31g(d).smash.inp (generated)

045259126.b3lyp_6-31g(d).nwchem.inp (generated) 045259126.b3lyp_6-31g(d).log.xz 045259126.mol 045259126.PUBCHEM 045259126.mol (via Jmol)
045259130.b3lyp_6-31g(d).inp

045259130.b3lyp_6-31g(d).qchem.inp (generated)

045259130.b3lyp_6-31g(d).gjf (generated)

045259130.b3lyp_6-31g(d).firefly.inp (generated)

045259130.b3lyp_6-31g(d).smash.inp (generated)

045259130.b3lyp_6-31g(d).nwchem.inp (generated) 045259130.b3lyp_6-31g(d).log.xz 045259130.td-b3lyp_6-31g+(d).inp 045259130.td-b3lyp_6-31g+(d).log.xz

045259130.td-b3lyp_6-31+g(d).qchem.inp (generated)

045259130.td-b3lyp_6-31+g(d).gjf (generated)

045259130.td-b3lyp_6-31+g(d).firefly.inp (generated)

045259130.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045259130.mol 045259130.PUBCHEM 045259130.mol (via Jmol)
045259143.b3lyp_6-31g(d).inp

045259143.b3lyp_6-31g(d).qchem.inp (generated)

045259143.b3lyp_6-31g(d).gjf (generated)

045259143.b3lyp_6-31g(d).firefly.inp (generated)

045259143.b3lyp_6-31g(d).smash.inp (generated)

045259143.b3lyp_6-31g(d).nwchem.inp (generated) 045259143.b3lyp_6-31g(d).log.xz 045259143.td-b3lyp_6-31g+(d).inp 045259143.td-b3lyp_6-31g+(d).log.xz

045259143.td-b3lyp_6-31+g(d).qchem.inp (generated)

045259143.td-b3lyp_6-31+g(d).gjf (generated)

045259143.td-b3lyp_6-31+g(d).firefly.inp (generated)

045259143.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045259143.mol 045259143.PUBCHEM 045259143.mol (via Jmol)
045259145.b3lyp_6-31g(d).inp

045259145.b3lyp_6-31g(d).qchem.inp (generated)

045259145.b3lyp_6-31g(d).gjf (generated)

045259145.b3lyp_6-31g(d).firefly.inp (generated)

045259145.b3lyp_6-31g(d).smash.inp (generated)

045259145.b3lyp_6-31g(d).nwchem.inp (generated) 045259145.b3lyp_6-31g(d).log.xz 045259145.td-b3lyp_6-31g+(d).inp 045259145.td-b3lyp_6-31g+(d).log.xz

045259145.td-b3lyp_6-31+g(d).qchem.inp (generated)

045259145.td-b3lyp_6-31+g(d).gjf (generated)

045259145.td-b3lyp_6-31+g(d).firefly.inp (generated)

045259145.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045259145.mol 045259145.PUBCHEM 045259145.mol (via Jmol)
045259147.b3lyp_6-31g(d).inp

045259147.b3lyp_6-31g(d).qchem.inp (generated)

045259147.b3lyp_6-31g(d).gjf (generated)

045259147.b3lyp_6-31g(d).firefly.inp (generated)

045259147.b3lyp_6-31g(d).smash.inp (generated)

045259147.b3lyp_6-31g(d).nwchem.inp (generated) 045259147.b3lyp_6-31g(d).log.xz 045259147.td-b3lyp_6-31g+(d).inp 045259147.td-b3lyp_6-31g+(d).log.xz

045259147.td-b3lyp_6-31+g(d).qchem.inp (generated)

045259147.td-b3lyp_6-31+g(d).gjf (generated)

045259147.td-b3lyp_6-31+g(d).firefly.inp (generated)

045259147.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045259147.mol 045259147.PUBCHEM 045259147.mol (via Jmol)
045259149.b3lyp_6-31g(d).inp

045259149.b3lyp_6-31g(d).qchem.inp (generated)

045259149.b3lyp_6-31g(d).gjf (generated)

045259149.b3lyp_6-31g(d).firefly.inp (generated)

045259149.b3lyp_6-31g(d).smash.inp (generated)

045259149.b3lyp_6-31g(d).nwchem.inp (generated) 045259149.b3lyp_6-31g(d).log.xz 045259149.td-b3lyp_6-31g+(d).inp 045259149.td-b3lyp_6-31g+(d).log.xz

045259149.td-b3lyp_6-31+g(d).qchem.inp (generated)

045259149.td-b3lyp_6-31+g(d).gjf (generated)

045259149.td-b3lyp_6-31+g(d).firefly.inp (generated)

045259149.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045259149.mol 045259149.PUBCHEM 045259149.mol (via Jmol)
045259150.b3lyp_6-31g(d).inp

045259150.b3lyp_6-31g(d).qchem.inp (generated)

045259150.b3lyp_6-31g(d).gjf (generated)

045259150.b3lyp_6-31g(d).firefly.inp (generated)

045259150.b3lyp_6-31g(d).smash.inp (generated)

045259150.b3lyp_6-31g(d).nwchem.inp (generated) 045259150.b3lyp_6-31g(d).log.xz 045259150.td-b3lyp_6-31g+(d).inp 045259150.td-b3lyp_6-31g+(d).log.xz

045259150.td-b3lyp_6-31+g(d).qchem.inp (generated)

045259150.td-b3lyp_6-31+g(d).gjf (generated)

045259150.td-b3lyp_6-31+g(d).firefly.inp (generated)

045259150.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045259150.mol 045259150.PUBCHEM 045259150.mol (via Jmol)
045259153.b3lyp_6-31g(d).inp

045259153.b3lyp_6-31g(d).qchem.inp (generated)

045259153.b3lyp_6-31g(d).gjf (generated)

045259153.b3lyp_6-31g(d).firefly.inp (generated)

045259153.b3lyp_6-31g(d).smash.inp (generated)

045259153.b3lyp_6-31g(d).nwchem.inp (generated) 045259153.b3lyp_6-31g(d).log.xz 045259153.td-b3lyp_6-31g+(d).inp 045259153.td-b3lyp_6-31g+(d).log.xz

045259153.td-b3lyp_6-31+g(d).qchem.inp (generated)

045259153.td-b3lyp_6-31+g(d).gjf (generated)

045259153.td-b3lyp_6-31+g(d).firefly.inp (generated)

045259153.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045259153.mol 045259153.PUBCHEM 045259153.mol (via Jmol)
045259154.b3lyp_6-31g(d).inp

045259154.b3lyp_6-31g(d).qchem.inp (generated)

045259154.b3lyp_6-31g(d).gjf (generated)

045259154.b3lyp_6-31g(d).firefly.inp (generated)

045259154.b3lyp_6-31g(d).smash.inp (generated)

045259154.b3lyp_6-31g(d).nwchem.inp (generated) 045259154.b3lyp_6-31g(d).log.xz 045259154.td-b3lyp_6-31g+(d).inp 045259154.td-b3lyp_6-31g+(d).log.xz

045259154.td-b3lyp_6-31+g(d).qchem.inp (generated)

045259154.td-b3lyp_6-31+g(d).gjf (generated)

045259154.td-b3lyp_6-31+g(d).firefly.inp (generated)

045259154.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045259154.mol 045259154.PUBCHEM 045259154.mol (via Jmol)
045259155.b3lyp_6-31g(d).inp

045259155.b3lyp_6-31g(d).qchem.inp (generated)

045259155.b3lyp_6-31g(d).gjf (generated)

045259155.b3lyp_6-31g(d).firefly.inp (generated)

045259155.b3lyp_6-31g(d).smash.inp (generated)

045259155.b3lyp_6-31g(d).nwchem.inp (generated) 045259155.b3lyp_6-31g(d).log.xz 045259155.td-b3lyp_6-31g+(d).inp 045259155.td-b3lyp_6-31g+(d).log.xz

045259155.td-b3lyp_6-31+g(d).qchem.inp (generated)

045259155.td-b3lyp_6-31+g(d).gjf (generated)

045259155.td-b3lyp_6-31+g(d).firefly.inp (generated)

045259155.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045259155.mol 045259155.PUBCHEM 045259155.mol (via Jmol)
045259156.b3lyp_6-31g(d).inp

045259156.b3lyp_6-31g(d).qchem.inp (generated)

045259156.b3lyp_6-31g(d).gjf (generated)

045259156.b3lyp_6-31g(d).firefly.inp (generated)

045259156.b3lyp_6-31g(d).smash.inp (generated)

045259156.b3lyp_6-31g(d).nwchem.inp (generated) 045259156.b3lyp_6-31g(d).log.xz 045259156.td-b3lyp_6-31g+(d).inp 045259156.td-b3lyp_6-31g+(d).log.xz

045259156.td-b3lyp_6-31+g(d).qchem.inp (generated)

045259156.td-b3lyp_6-31+g(d).gjf (generated)

045259156.td-b3lyp_6-31+g(d).firefly.inp (generated)

045259156.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045259156.mol 045259156.PUBCHEM 045259156.mol (via Jmol)
045259160.b3lyp_6-31g(d).inp

045259160.b3lyp_6-31g(d).qchem.inp (generated)

045259160.b3lyp_6-31g(d).gjf (generated)

045259160.b3lyp_6-31g(d).firefly.inp (generated)

045259160.b3lyp_6-31g(d).smash.inp (generated)

045259160.b3lyp_6-31g(d).nwchem.inp (generated) 045259160.b3lyp_6-31g(d).log.xz 045259160.td-b3lyp_6-31g+(d).inp 045259160.td-b3lyp_6-31g+(d).log.xz

045259160.td-b3lyp_6-31+g(d).qchem.inp (generated)

045259160.td-b3lyp_6-31+g(d).gjf (generated)

045259160.td-b3lyp_6-31+g(d).firefly.inp (generated)

045259160.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045259160.mol 045259160.PUBCHEM 045259160.mol (via Jmol)
045259161.b3lyp_6-31g(d).inp

045259161.b3lyp_6-31g(d).qchem.inp (generated)

045259161.b3lyp_6-31g(d).gjf (generated)

045259161.b3lyp_6-31g(d).firefly.inp (generated)

045259161.b3lyp_6-31g(d).smash.inp (generated)

045259161.b3lyp_6-31g(d).nwchem.inp (generated) 045259161.b3lyp_6-31g(d).log.xz 045259161.td-b3lyp_6-31g+(d).inp 045259161.td-b3lyp_6-31g+(d).log.xz

045259161.td-b3lyp_6-31+g(d).qchem.inp (generated)

045259161.td-b3lyp_6-31+g(d).gjf (generated)

045259161.td-b3lyp_6-31+g(d).firefly.inp (generated)

045259161.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045259161.mol 045259161.PUBCHEM 045259161.mol (via Jmol)
045259183.b3lyp_6-31g(d).inp

045259183.b3lyp_6-31g(d).qchem.inp (generated)

045259183.b3lyp_6-31g(d).gjf (generated)

045259183.b3lyp_6-31g(d).firefly.inp (generated)

045259183.b3lyp_6-31g(d).smash.inp (generated)

045259183.b3lyp_6-31g(d).nwchem.inp (generated) 045259183.b3lyp_6-31g(d).log.xz 045259183.td-b3lyp_6-31g+(d).inp 045259183.td-b3lyp_6-31g+(d).log.xz

045259183.td-b3lyp_6-31+g(d).qchem.inp (generated)

045259183.td-b3lyp_6-31+g(d).gjf (generated)

045259183.td-b3lyp_6-31+g(d).firefly.inp (generated)

045259183.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045259183.mol 045259183.PUBCHEM 045259183.mol (via Jmol)
045264842.b3lyp_6-31g(d).inp

045264842.b3lyp_6-31g(d).qchem.inp (generated)

045264842.b3lyp_6-31g(d).gjf (generated)

045264842.b3lyp_6-31g(d).firefly.inp (generated)

045264842.b3lyp_6-31g(d).smash.inp (generated)

045264842.b3lyp_6-31g(d).nwchem.inp (generated) 045264842.b3lyp_6-31g(d).log.xz 045264842.td-b3lyp_6-31g+(d).inp 045264842.td-b3lyp_6-31g+(d).log.xz

045264842.td-b3lyp_6-31+g(d).qchem.inp (generated)

045264842.td-b3lyp_6-31+g(d).gjf (generated)

045264842.td-b3lyp_6-31+g(d).firefly.inp (generated)

045264842.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045264842.mol 045264842.PUBCHEM 045264842.mol (via Jmol)
045266361.b3lyp_6-31g(d).inp

045266361.b3lyp_6-31g(d).qchem.inp (generated)

045266361.b3lyp_6-31g(d).gjf (generated)

045266361.b3lyp_6-31g(d).firefly.inp (generated)

045266361.b3lyp_6-31g(d).smash.inp (generated)

045266361.b3lyp_6-31g(d).nwchem.inp (generated) 045266361.b3lyp_6-31g(d).log.xz 045266361.mol 045266361.PUBCHEM 045266361.mol (via Jmol)
045266429.b3lyp_6-31g(d).inp

045266429.b3lyp_6-31g(d).qchem.inp (generated)

045266429.b3lyp_6-31g(d).gjf (generated)

045266429.b3lyp_6-31g(d).firefly.inp (generated)

045266429.b3lyp_6-31g(d).smash.inp (generated)

045266429.b3lyp_6-31g(d).nwchem.inp (generated) 045266429.b3lyp_6-31g(d).log.xz 045266429.td-b3lyp_6-31g+(d).inp 045266429.td-b3lyp_6-31g+(d).log.xz

045266429.td-b3lyp_6-31+g(d).qchem.inp (generated)

045266429.td-b3lyp_6-31+g(d).gjf (generated)

045266429.td-b3lyp_6-31+g(d).firefly.inp (generated)

045266429.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045266429.mol 045266429.PUBCHEM 045266429.mol (via Jmol)
045266520.b3lyp_6-31g(d).inp

045266520.b3lyp_6-31g(d).qchem.inp (generated)

045266520.b3lyp_6-31g(d).gjf (generated)

045266520.b3lyp_6-31g(d).firefly.inp (generated)

045266520.b3lyp_6-31g(d).smash.inp (generated)

045266520.b3lyp_6-31g(d).nwchem.inp (generated) 045266520.b3lyp_6-31g(d).log.xz 045266520.td-b3lyp_6-31g+(d).inp 045266520.td-b3lyp_6-31g+(d).log.xz

045266520.td-b3lyp_6-31+g(d).qchem.inp (generated)

045266520.td-b3lyp_6-31+g(d).gjf (generated)

045266520.td-b3lyp_6-31+g(d).firefly.inp (generated)

045266520.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045266520.mol 045266520.PUBCHEM 045266520.mol (via Jmol)
045266523.b3lyp_6-31g(d).inp

045266523.b3lyp_6-31g(d).qchem.inp (generated)

045266523.b3lyp_6-31g(d).gjf (generated)

045266523.b3lyp_6-31g(d).firefly.inp (generated)

045266523.b3lyp_6-31g(d).smash.inp (generated)

045266523.b3lyp_6-31g(d).nwchem.inp (generated) 045266523.b3lyp_6-31g(d).log.xz 045266523.td-b3lyp_6-31g+(d).inp 045266523.td-b3lyp_6-31g+(d).log.xz

045266523.td-b3lyp_6-31+g(d).qchem.inp (generated)

045266523.td-b3lyp_6-31+g(d).gjf (generated)

045266523.td-b3lyp_6-31+g(d).firefly.inp (generated)

045266523.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045266523.mol 045266523.PUBCHEM 045266523.mol (via Jmol)
045266525.b3lyp_6-31g(d).inp

045266525.b3lyp_6-31g(d).qchem.inp (generated)

045266525.b3lyp_6-31g(d).gjf (generated)

045266525.b3lyp_6-31g(d).firefly.inp (generated)

045266525.b3lyp_6-31g(d).smash.inp (generated)

045266525.b3lyp_6-31g(d).nwchem.inp (generated) 045266525.b3lyp_6-31g(d).log.xz 045266525.td-b3lyp_6-31g+(d).inp 045266525.td-b3lyp_6-31g+(d).log.xz

045266525.td-b3lyp_6-31+g(d).qchem.inp (generated)

045266525.td-b3lyp_6-31+g(d).gjf (generated)

045266525.td-b3lyp_6-31+g(d).firefly.inp (generated)

045266525.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045266525.mol 045266525.PUBCHEM 045266525.mol (via Jmol)
045266526.b3lyp_6-31g(d).inp

045266526.b3lyp_6-31g(d).qchem.inp (generated)

045266526.b3lyp_6-31g(d).gjf (generated)

045266526.b3lyp_6-31g(d).firefly.inp (generated)

045266526.b3lyp_6-31g(d).smash.inp (generated)

045266526.b3lyp_6-31g(d).nwchem.inp (generated) 045266526.b3lyp_6-31g(d).log.xz 045266526.td-b3lyp_6-31g+(d).inp 045266526.td-b3lyp_6-31g+(d).log.xz

045266526.td-b3lyp_6-31+g(d).qchem.inp (generated)

045266526.td-b3lyp_6-31+g(d).gjf (generated)

045266526.td-b3lyp_6-31+g(d).firefly.inp (generated)

045266526.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045266526.mol 045266526.PUBCHEM 045266526.mol (via Jmol)
045266527.b3lyp_6-31g(d).inp

045266527.b3lyp_6-31g(d).qchem.inp (generated)

045266527.b3lyp_6-31g(d).gjf (generated)

045266527.b3lyp_6-31g(d).firefly.inp (generated)

045266527.b3lyp_6-31g(d).smash.inp (generated)

045266527.b3lyp_6-31g(d).nwchem.inp (generated) 045266527.b3lyp_6-31g(d).log.xz 045266527.td-b3lyp_6-31g+(d).inp 045266527.td-b3lyp_6-31g+(d).log.xz

045266527.td-b3lyp_6-31+g(d).qchem.inp (generated)

045266527.td-b3lyp_6-31+g(d).gjf (generated)

045266527.td-b3lyp_6-31+g(d).firefly.inp (generated)

045266527.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045266527.mol 045266527.PUBCHEM 045266527.mol (via Jmol)
045266531.b3lyp_6-31g(d).inp

045266531.b3lyp_6-31g(d).qchem.inp (generated)

045266531.b3lyp_6-31g(d).gjf (generated)

045266531.b3lyp_6-31g(d).firefly.inp (generated)

045266531.b3lyp_6-31g(d).smash.inp (generated)

045266531.b3lyp_6-31g(d).nwchem.inp (generated) 045266531.b3lyp_6-31g(d).log.xz 045266531.td-b3lyp_6-31g+(d).inp 045266531.td-b3lyp_6-31g+(d).log.xz

045266531.td-b3lyp_6-31+g(d).qchem.inp (generated)

045266531.td-b3lyp_6-31+g(d).gjf (generated)

045266531.td-b3lyp_6-31+g(d).firefly.inp (generated)

045266531.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045266531.mol 045266531.PUBCHEM 045266531.mol (via Jmol)
045266621.b3lyp_6-31g(d).inp

045266621.b3lyp_6-31g(d).qchem.inp (generated)

045266621.b3lyp_6-31g(d).gjf (generated)

045266621.b3lyp_6-31g(d).firefly.inp (generated)

045266621.b3lyp_6-31g(d).smash.inp (generated)

045266621.b3lyp_6-31g(d).nwchem.inp (generated) 045266621.b3lyp_6-31g(d).log.xz 045266621.td-b3lyp_6-31g+(d).inp 045266621.td-b3lyp_6-31g+(d).log.xz

045266621.td-b3lyp_6-31+g(d).qchem.inp (generated)

045266621.td-b3lyp_6-31+g(d).gjf (generated)

045266621.td-b3lyp_6-31+g(d).firefly.inp (generated)

045266621.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045266621.mol 045266621.PUBCHEM 045266621.mol (via Jmol)
045266623.b3lyp_6-31g(d).inp

045266623.b3lyp_6-31g(d).qchem.inp (generated)

045266623.b3lyp_6-31g(d).gjf (generated)

045266623.b3lyp_6-31g(d).firefly.inp (generated)

045266623.b3lyp_6-31g(d).smash.inp (generated)

045266623.b3lyp_6-31g(d).nwchem.inp (generated) 045266623.b3lyp_6-31g(d).log.xz 045266623.td-b3lyp_6-31g+(d).inp 045266623.td-b3lyp_6-31g+(d).log.xz

045266623.td-b3lyp_6-31+g(d).qchem.inp (generated)

045266623.td-b3lyp_6-31+g(d).gjf (generated)

045266623.td-b3lyp_6-31+g(d).firefly.inp (generated)

045266623.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045266623.mol 045266623.PUBCHEM 045266623.mol (via Jmol)
045266628.b3lyp_6-31g(d).inp

045266628.b3lyp_6-31g(d).qchem.inp (generated)

045266628.b3lyp_6-31g(d).gjf (generated)

045266628.b3lyp_6-31g(d).firefly.inp (generated)

045266628.b3lyp_6-31g(d).smash.inp (generated)

045266628.b3lyp_6-31g(d).nwchem.inp (generated) 045266628.b3lyp_6-31g(d).log.xz 045266628.td-b3lyp_6-31g+(d).inp 045266628.td-b3lyp_6-31g+(d).log.xz

045266628.td-b3lyp_6-31+g(d).qchem.inp (generated)

045266628.td-b3lyp_6-31+g(d).gjf (generated)

045266628.td-b3lyp_6-31+g(d).firefly.inp (generated)

045266628.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045266628.mol 045266628.PUBCHEM 045266628.mol (via Jmol)
045266637.b3lyp_6-31g(d).inp

045266637.b3lyp_6-31g(d).qchem.inp (generated)

045266637.b3lyp_6-31g(d).gjf (generated)

045266637.b3lyp_6-31g(d).firefly.inp (generated)

045266637.b3lyp_6-31g(d).smash.inp (generated)

045266637.b3lyp_6-31g(d).nwchem.inp (generated) 045266637.b3lyp_6-31g(d).log.xz 045266637.td-b3lyp_6-31g+(d).inp 045266637.td-b3lyp_6-31g+(d).log.xz

045266637.td-b3lyp_6-31+g(d).qchem.inp (generated)

045266637.td-b3lyp_6-31+g(d).gjf (generated)

045266637.td-b3lyp_6-31+g(d).firefly.inp (generated)

045266637.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045266637.mol 045266637.PUBCHEM 045266637.mol (via Jmol)
045266643.b3lyp_6-31g(d).inp

045266643.b3lyp_6-31g(d).qchem.inp (generated)

045266643.b3lyp_6-31g(d).gjf (generated)

045266643.b3lyp_6-31g(d).firefly.inp (generated)

045266643.b3lyp_6-31g(d).smash.inp (generated)

045266643.b3lyp_6-31g(d).nwchem.inp (generated) 045266643.b3lyp_6-31g(d).log.xz 045266643.td-b3lyp_6-31g+(d).inp 045266643.td-b3lyp_6-31g+(d).log.xz

045266643.td-b3lyp_6-31+g(d).qchem.inp (generated)

045266643.td-b3lyp_6-31+g(d).gjf (generated)

045266643.td-b3lyp_6-31+g(d).firefly.inp (generated)

045266643.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045266643.mol 045266643.PUBCHEM 045266643.mol (via Jmol)
045266674.b3lyp_6-31g(d).inp

045266674.b3lyp_6-31g(d).qchem.inp (generated)

045266674.b3lyp_6-31g(d).gjf (generated)

045266674.b3lyp_6-31g(d).firefly.inp (generated)

045266674.b3lyp_6-31g(d).smash.inp (generated)

045266674.b3lyp_6-31g(d).nwchem.inp (generated) 045266674.b3lyp_6-31g(d).log.xz 045266674.td-b3lyp_6-31g+(d).inp 045266674.td-b3lyp_6-31g+(d).log.xz

045266674.td-b3lyp_6-31+g(d).qchem.inp (generated)

045266674.td-b3lyp_6-31+g(d).gjf (generated)

045266674.td-b3lyp_6-31+g(d).firefly.inp (generated)

045266674.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045266674.mol 045266674.PUBCHEM 045266674.mol (via Jmol)
045266695.b3lyp_6-31g(d).inp

045266695.b3lyp_6-31g(d).qchem.inp (generated)

045266695.b3lyp_6-31g(d).gjf (generated)

045266695.b3lyp_6-31g(d).firefly.inp (generated)

045266695.b3lyp_6-31g(d).smash.inp (generated)

045266695.b3lyp_6-31g(d).nwchem.inp (generated) 045266695.b3lyp_6-31g(d).log.xz 045266695.td-b3lyp_6-31g+(d).inp 045266695.td-b3lyp_6-31g+(d).log.xz

045266695.td-b3lyp_6-31+g(d).qchem.inp (generated)

045266695.td-b3lyp_6-31+g(d).gjf (generated)

045266695.td-b3lyp_6-31+g(d).firefly.inp (generated)

045266695.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045266695.mol 045266695.PUBCHEM 045266695.mol (via Jmol)
045266718.b3lyp_6-31g(d).inp

045266718.b3lyp_6-31g(d).qchem.inp (generated)

045266718.b3lyp_6-31g(d).gjf (generated)

045266718.b3lyp_6-31g(d).firefly.inp (generated)

045266718.b3lyp_6-31g(d).smash.inp (generated)

045266718.b3lyp_6-31g(d).nwchem.inp (generated) 045266718.b3lyp_6-31g(d).log.xz 045266718.td-b3lyp_6-31g+(d).inp 045266718.td-b3lyp_6-31g+(d).log.xz

045266718.td-b3lyp_6-31+g(d).qchem.inp (generated)

045266718.td-b3lyp_6-31+g(d).gjf (generated)

045266718.td-b3lyp_6-31+g(d).firefly.inp (generated)

045266718.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045266718.mol 045266718.PUBCHEM 045266718.mol (via Jmol)
045266730.b3lyp_6-31g(d).inp

045266730.b3lyp_6-31g(d).qchem.inp (generated)

045266730.b3lyp_6-31g(d).gjf (generated)

045266730.b3lyp_6-31g(d).firefly.inp (generated)

045266730.b3lyp_6-31g(d).smash.inp (generated)

045266730.b3lyp_6-31g(d).nwchem.inp (generated) 045266730.b3lyp_6-31g(d).log.xz 045266730.td-b3lyp_6-31g+(d).inp 045266730.td-b3lyp_6-31g+(d).log.xz

045266730.td-b3lyp_6-31+g(d).qchem.inp (generated)

045266730.td-b3lyp_6-31+g(d).gjf (generated)

045266730.td-b3lyp_6-31+g(d).firefly.inp (generated)

045266730.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045266730.mol 045266730.PUBCHEM 045266730.mol (via Jmol)
045266734.b3lyp_6-31g(d).inp

045266734.b3lyp_6-31g(d).qchem.inp (generated)

045266734.b3lyp_6-31g(d).gjf (generated)

045266734.b3lyp_6-31g(d).firefly.inp (generated)

045266734.b3lyp_6-31g(d).smash.inp (generated)

045266734.b3lyp_6-31g(d).nwchem.inp (generated) 045266734.b3lyp_6-31g(d).log.xz 045266734.td-b3lyp_6-31g+(d).inp 045266734.td-b3lyp_6-31g+(d).log.xz

045266734.td-b3lyp_6-31+g(d).qchem.inp (generated)

045266734.td-b3lyp_6-31+g(d).gjf (generated)

045266734.td-b3lyp_6-31+g(d).firefly.inp (generated)

045266734.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045266734.mol 045266734.PUBCHEM 045266734.mol (via Jmol)
045266743.b3lyp_6-31g(d).inp

045266743.b3lyp_6-31g(d).qchem.inp (generated)

045266743.b3lyp_6-31g(d).gjf (generated)

045266743.b3lyp_6-31g(d).firefly.inp (generated)

045266743.b3lyp_6-31g(d).smash.inp (generated)

045266743.b3lyp_6-31g(d).nwchem.inp (generated) 045266743.b3lyp_6-31g(d).log.xz 045266743.td-b3lyp_6-31g+(d).inp 045266743.td-b3lyp_6-31g+(d).log.xz

045266743.td-b3lyp_6-31+g(d).qchem.inp (generated)

045266743.td-b3lyp_6-31+g(d).gjf (generated)

045266743.td-b3lyp_6-31+g(d).firefly.inp (generated)

045266743.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045266743.mol 045266743.PUBCHEM 045266743.mol (via Jmol)
045266746.b3lyp_6-31g(d).inp

045266746.b3lyp_6-31g(d).qchem.inp (generated)

045266746.b3lyp_6-31g(d).gjf (generated)

045266746.b3lyp_6-31g(d).firefly.inp (generated)

045266746.b3lyp_6-31g(d).smash.inp (generated)

045266746.b3lyp_6-31g(d).nwchem.inp (generated) 045266746.b3lyp_6-31g(d).log.xz 045266746.td-b3lyp_6-31g+(d).inp 045266746.td-b3lyp_6-31g+(d).log.xz

045266746.td-b3lyp_6-31+g(d).qchem.inp (generated)

045266746.td-b3lyp_6-31+g(d).gjf (generated)

045266746.td-b3lyp_6-31+g(d).firefly.inp (generated)

045266746.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045266746.mol 045266746.PUBCHEM 045266746.mol (via Jmol)
045266748.b3lyp_6-31g(d).inp

045266748.b3lyp_6-31g(d).qchem.inp (generated)

045266748.b3lyp_6-31g(d).gjf (generated)

045266748.b3lyp_6-31g(d).firefly.inp (generated)

045266748.b3lyp_6-31g(d).smash.inp (generated)

045266748.b3lyp_6-31g(d).nwchem.inp (generated) 045266748.b3lyp_6-31g(d).log.xz 045266748.td-b3lyp_6-31g+(d).inp 045266748.td-b3lyp_6-31g+(d).log.xz

045266748.td-b3lyp_6-31+g(d).qchem.inp (generated)

045266748.td-b3lyp_6-31+g(d).gjf (generated)

045266748.td-b3lyp_6-31+g(d).firefly.inp (generated)

045266748.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045266748.mol 045266748.PUBCHEM 045266748.mol (via Jmol)
045266761.b3lyp_6-31g(d).inp

045266761.b3lyp_6-31g(d).qchem.inp (generated)

045266761.b3lyp_6-31g(d).gjf (generated)

045266761.b3lyp_6-31g(d).firefly.inp (generated)

045266761.b3lyp_6-31g(d).smash.inp (generated)

045266761.b3lyp_6-31g(d).nwchem.inp (generated) 045266761.b3lyp_6-31g(d).log.xz 045266761.td-b3lyp_6-31g+(d).inp 045266761.td-b3lyp_6-31g+(d).log.xz

045266761.td-b3lyp_6-31+g(d).qchem.inp (generated)

045266761.td-b3lyp_6-31+g(d).gjf (generated)

045266761.td-b3lyp_6-31+g(d).firefly.inp (generated)

045266761.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045266761.mol 045266761.PUBCHEM 045266761.mol (via Jmol)
045266762.b3lyp_6-31g(d).inp

045266762.b3lyp_6-31g(d).qchem.inp (generated)

045266762.b3lyp_6-31g(d).gjf (generated)

045266762.b3lyp_6-31g(d).firefly.inp (generated)

045266762.b3lyp_6-31g(d).smash.inp (generated)

045266762.b3lyp_6-31g(d).nwchem.inp (generated) 045266762.b3lyp_6-31g(d).log.xz 045266762.td-b3lyp_6-31g+(d).inp 045266762.td-b3lyp_6-31g+(d).log.xz

045266762.td-b3lyp_6-31+g(d).qchem.inp (generated)

045266762.td-b3lyp_6-31+g(d).gjf (generated)

045266762.td-b3lyp_6-31+g(d).firefly.inp (generated)

045266762.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045266762.mol 045266762.PUBCHEM 045266762.mol (via Jmol)
045266773.b3lyp_6-31g(d).inp

045266773.b3lyp_6-31g(d).qchem.inp (generated)

045266773.b3lyp_6-31g(d).gjf (generated)

045266773.b3lyp_6-31g(d).firefly.inp (generated)

045266773.b3lyp_6-31g(d).smash.inp (generated)

045266773.b3lyp_6-31g(d).nwchem.inp (generated) 045266773.b3lyp_6-31g(d).log.xz 045266773.td-b3lyp_6-31g+(d).inp 045266773.td-b3lyp_6-31g+(d).log.xz

045266773.td-b3lyp_6-31+g(d).qchem.inp (generated)

045266773.td-b3lyp_6-31+g(d).gjf (generated)

045266773.td-b3lyp_6-31+g(d).firefly.inp (generated)

045266773.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045266773.mol 045266773.PUBCHEM 045266773.mol (via Jmol)
045266780.b3lyp_6-31g(d).inp

045266780.b3lyp_6-31g(d).qchem.inp (generated)

045266780.b3lyp_6-31g(d).gjf (generated)

045266780.b3lyp_6-31g(d).firefly.inp (generated)

045266780.b3lyp_6-31g(d).smash.inp (generated)

045266780.b3lyp_6-31g(d).nwchem.inp (generated) 045266780.b3lyp_6-31g(d).log.xz 045266780.mol 045266780.PUBCHEM 045266780.mol (via Jmol)
045266814.b3lyp_6-31g(d).inp

045266814.b3lyp_6-31g(d).qchem.inp (generated)

045266814.b3lyp_6-31g(d).gjf (generated)

045266814.b3lyp_6-31g(d).firefly.inp (generated)

045266814.b3lyp_6-31g(d).smash.inp (generated)

045266814.b3lyp_6-31g(d).nwchem.inp (generated) 045266814.b3lyp_6-31g(d).log.xz 045266814.td-b3lyp_6-31g+(d).inp 045266814.td-b3lyp_6-31g+(d).log.xz

045266814.td-b3lyp_6-31+g(d).qchem.inp (generated)

045266814.td-b3lyp_6-31+g(d).gjf (generated)

045266814.td-b3lyp_6-31+g(d).firefly.inp (generated)

045266814.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045266814.mol 045266814.PUBCHEM 045266814.mol (via Jmol)
045266815.b3lyp_6-31g(d).inp

045266815.b3lyp_6-31g(d).qchem.inp (generated)

045266815.b3lyp_6-31g(d).gjf (generated)

045266815.b3lyp_6-31g(d).firefly.inp (generated)

045266815.b3lyp_6-31g(d).smash.inp (generated)

045266815.b3lyp_6-31g(d).nwchem.inp (generated) 045266815.b3lyp_6-31g(d).log.xz 045266815.td-b3lyp_6-31g+(d).inp 045266815.td-b3lyp_6-31g+(d).log.xz

045266815.td-b3lyp_6-31+g(d).qchem.inp (generated)

045266815.td-b3lyp_6-31+g(d).gjf (generated)

045266815.td-b3lyp_6-31+g(d).firefly.inp (generated)

045266815.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045266815.mol 045266815.PUBCHEM 045266815.mol (via Jmol)
045266816.b3lyp_6-31g(d).inp

045266816.b3lyp_6-31g(d).qchem.inp (generated)

045266816.b3lyp_6-31g(d).gjf (generated)

045266816.b3lyp_6-31g(d).firefly.inp (generated)

045266816.b3lyp_6-31g(d).smash.inp (generated)

045266816.b3lyp_6-31g(d).nwchem.inp (generated) 045266816.b3lyp_6-31g(d).log.xz 045266816.td-b3lyp_6-31g+(d).inp 045266816.td-b3lyp_6-31g+(d).log.xz

045266816.td-b3lyp_6-31+g(d).qchem.inp (generated)

045266816.td-b3lyp_6-31+g(d).gjf (generated)

045266816.td-b3lyp_6-31+g(d).firefly.inp (generated)

045266816.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045266816.mol 045266816.PUBCHEM 045266816.mol (via Jmol)
045266826.b3lyp_6-31g(d).inp

045266826.b3lyp_6-31g(d).qchem.inp (generated)

045266826.b3lyp_6-31g(d).gjf (generated)

045266826.b3lyp_6-31g(d).firefly.inp (generated)

045266826.b3lyp_6-31g(d).smash.inp (generated)

045266826.b3lyp_6-31g(d).nwchem.inp (generated) 045266826.b3lyp_6-31g(d).log.xz 045266826.td-b3lyp_6-31g+(d).inp 045266826.td-b3lyp_6-31g+(d).log.xz

045266826.td-b3lyp_6-31+g(d).qchem.inp (generated)

045266826.td-b3lyp_6-31+g(d).gjf (generated)

045266826.td-b3lyp_6-31+g(d).firefly.inp (generated)

045266826.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045266826.mol 045266826.PUBCHEM 045266826.mol (via Jmol)
045266852.b3lyp_6-31g(d).inp

045266852.b3lyp_6-31g(d).qchem.inp (generated)

045266852.b3lyp_6-31g(d).gjf (generated)

045266852.b3lyp_6-31g(d).firefly.inp (generated)

045266852.b3lyp_6-31g(d).smash.inp (generated)

045266852.b3lyp_6-31g(d).nwchem.inp (generated) 045266852.b3lyp_6-31g(d).log.xz 045266852.td-b3lyp_6-31g+(d).inp 045266852.td-b3lyp_6-31g+(d).log.xz

045266852.td-b3lyp_6-31+g(d).qchem.inp (generated)

045266852.td-b3lyp_6-31+g(d).gjf (generated)

045266852.td-b3lyp_6-31+g(d).firefly.inp (generated)

045266852.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045266852.mol 045266852.PUBCHEM 045266852.mol (via Jmol)
045266874.b3lyp_6-31g(d).inp

045266874.b3lyp_6-31g(d).qchem.inp (generated)

045266874.b3lyp_6-31g(d).gjf (generated)

045266874.b3lyp_6-31g(d).firefly.inp (generated)

045266874.b3lyp_6-31g(d).smash.inp (generated)

045266874.b3lyp_6-31g(d).nwchem.inp (generated) 045266874.b3lyp_6-31g(d).log.xz 045266874.td-b3lyp_6-31g+(d).inp 045266874.td-b3lyp_6-31g+(d).log.xz

045266874.td-b3lyp_6-31+g(d).qchem.inp (generated)

045266874.td-b3lyp_6-31+g(d).gjf (generated)

045266874.td-b3lyp_6-31+g(d).firefly.inp (generated)

045266874.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045266874.mol 045266874.PUBCHEM 045266874.mol (via Jmol)
045266875.b3lyp_6-31g(d).inp

045266875.b3lyp_6-31g(d).qchem.inp (generated)

045266875.b3lyp_6-31g(d).gjf (generated)

045266875.b3lyp_6-31g(d).firefly.inp (generated)

045266875.b3lyp_6-31g(d).smash.inp (generated)

045266875.b3lyp_6-31g(d).nwchem.inp (generated) 045266875.b3lyp_6-31g(d).log.xz 045266875.td-b3lyp_6-31g+(d).inp 045266875.td-b3lyp_6-31g+(d).log.xz

045266875.td-b3lyp_6-31+g(d).qchem.inp (generated)

045266875.td-b3lyp_6-31+g(d).gjf (generated)

045266875.td-b3lyp_6-31+g(d).firefly.inp (generated)

045266875.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045266875.mol 045266875.PUBCHEM 045266875.mol (via Jmol)
045266882.b3lyp_6-31g(d).inp

045266882.b3lyp_6-31g(d).qchem.inp (generated)

045266882.b3lyp_6-31g(d).gjf (generated)

045266882.b3lyp_6-31g(d).firefly.inp (generated)

045266882.b3lyp_6-31g(d).smash.inp (generated)

045266882.b3lyp_6-31g(d).nwchem.inp (generated) 045266882.b3lyp_6-31g(d).log.xz 045266882.td-b3lyp_6-31g+(d).inp 045266882.td-b3lyp_6-31g+(d).log.xz

045266882.td-b3lyp_6-31+g(d).qchem.inp (generated)

045266882.td-b3lyp_6-31+g(d).gjf (generated)

045266882.td-b3lyp_6-31+g(d).firefly.inp (generated)

045266882.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045266882.mol 045266882.PUBCHEM 045266882.mol (via Jmol)
045266886.b3lyp_6-31g(d).inp

045266886.b3lyp_6-31g(d).qchem.inp (generated)

045266886.b3lyp_6-31g(d).gjf (generated)

045266886.b3lyp_6-31g(d).firefly.inp (generated)

045266886.b3lyp_6-31g(d).smash.inp (generated)

045266886.b3lyp_6-31g(d).nwchem.inp (generated) 045266886.b3lyp_6-31g(d).log.xz 045266886.td-b3lyp_6-31g+(d).inp 045266886.td-b3lyp_6-31g+(d).log.xz

045266886.td-b3lyp_6-31+g(d).qchem.inp (generated)

045266886.td-b3lyp_6-31+g(d).gjf (generated)

045266886.td-b3lyp_6-31+g(d).firefly.inp (generated)

045266886.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045266886.mol 045266886.PUBCHEM 045266886.mol (via Jmol)
045266888.b3lyp_6-31g(d).inp

045266888.b3lyp_6-31g(d).qchem.inp (generated)

045266888.b3lyp_6-31g(d).gjf (generated)

045266888.b3lyp_6-31g(d).firefly.inp (generated)

045266888.b3lyp_6-31g(d).smash.inp (generated)

045266888.b3lyp_6-31g(d).nwchem.inp (generated) 045266888.b3lyp_6-31g(d).log.xz 045266888.td-b3lyp_6-31g+(d).inp 045266888.td-b3lyp_6-31g+(d).log.xz

045266888.td-b3lyp_6-31+g(d).qchem.inp (generated)

045266888.td-b3lyp_6-31+g(d).gjf (generated)

045266888.td-b3lyp_6-31+g(d).firefly.inp (generated)

045266888.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045266888.mol 045266888.PUBCHEM 045266888.mol (via Jmol)
045266889.b3lyp_6-31g(d).inp

045266889.b3lyp_6-31g(d).qchem.inp (generated)

045266889.b3lyp_6-31g(d).gjf (generated)

045266889.b3lyp_6-31g(d).firefly.inp (generated)

045266889.b3lyp_6-31g(d).smash.inp (generated)

045266889.b3lyp_6-31g(d).nwchem.inp (generated) 045266889.b3lyp_6-31g(d).log.xz 045266889.td-b3lyp_6-31g+(d).inp 045266889.td-b3lyp_6-31g+(d).log.xz

045266889.td-b3lyp_6-31+g(d).qchem.inp (generated)

045266889.td-b3lyp_6-31+g(d).gjf (generated)

045266889.td-b3lyp_6-31+g(d).firefly.inp (generated)

045266889.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045266889.mol 045266889.PUBCHEM 045266889.mol (via Jmol)
045266890.b3lyp_6-31g(d).inp

045266890.b3lyp_6-31g(d).qchem.inp (generated)

045266890.b3lyp_6-31g(d).gjf (generated)

045266890.b3lyp_6-31g(d).firefly.inp (generated)

045266890.b3lyp_6-31g(d).smash.inp (generated)

045266890.b3lyp_6-31g(d).nwchem.inp (generated) 045266890.b3lyp_6-31g(d).log.xz 045266890.td-b3lyp_6-31g+(d).inp 045266890.td-b3lyp_6-31g+(d).log.xz

045266890.td-b3lyp_6-31+g(d).qchem.inp (generated)

045266890.td-b3lyp_6-31+g(d).gjf (generated)

045266890.td-b3lyp_6-31+g(d).firefly.inp (generated)

045266890.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045266890.mol 045266890.PUBCHEM 045266890.mol (via Jmol)
045266895.b3lyp_6-31g(d).inp

045266895.b3lyp_6-31g(d).qchem.inp (generated)

045266895.b3lyp_6-31g(d).gjf (generated)

045266895.b3lyp_6-31g(d).firefly.inp (generated)

045266895.b3lyp_6-31g(d).smash.inp (generated)

045266895.b3lyp_6-31g(d).nwchem.inp (generated) 045266895.b3lyp_6-31g(d).log.xz 045266895.td-b3lyp_6-31g+(d).inp 045266895.td-b3lyp_6-31g+(d).log.xz

045266895.td-b3lyp_6-31+g(d).qchem.inp (generated)

045266895.td-b3lyp_6-31+g(d).gjf (generated)

045266895.td-b3lyp_6-31+g(d).firefly.inp (generated)

045266895.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045266895.mol 045266895.PUBCHEM 045266895.mol (via Jmol)
045266909.b3lyp_6-31g(d).inp

045266909.b3lyp_6-31g(d).qchem.inp (generated)

045266909.b3lyp_6-31g(d).gjf (generated)

045266909.b3lyp_6-31g(d).firefly.inp (generated)

045266909.b3lyp_6-31g(d).smash.inp (generated)

045266909.b3lyp_6-31g(d).nwchem.inp (generated) 045266909.b3lyp_6-31g(d).log.xz 045266909.td-b3lyp_6-31g+(d).inp 045266909.td-b3lyp_6-31g+(d).log.xz

045266909.td-b3lyp_6-31+g(d).qchem.inp (generated)

045266909.td-b3lyp_6-31+g(d).gjf (generated)

045266909.td-b3lyp_6-31+g(d).firefly.inp (generated)

045266909.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045266909.mol 045266909.PUBCHEM 045266909.mol (via Jmol)
045266915.b3lyp_6-31g(d).inp

045266915.b3lyp_6-31g(d).qchem.inp (generated)

045266915.b3lyp_6-31g(d).gjf (generated)

045266915.b3lyp_6-31g(d).firefly.inp (generated)

045266915.b3lyp_6-31g(d).smash.inp (generated)

045266915.b3lyp_6-31g(d).nwchem.inp (generated) 045266915.b3lyp_6-31g(d).log.xz 045266915.td-b3lyp_6-31g+(d).inp 045266915.td-b3lyp_6-31g+(d).log.xz

045266915.td-b3lyp_6-31+g(d).qchem.inp (generated)

045266915.td-b3lyp_6-31+g(d).gjf (generated)

045266915.td-b3lyp_6-31+g(d).firefly.inp (generated)

045266915.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045266915.mol 045266915.PUBCHEM 045266915.mol (via Jmol)
045267155.b3lyp_6-31g(d).inp

045267155.b3lyp_6-31g(d).qchem.inp (generated)

045267155.b3lyp_6-31g(d).gjf (generated)

045267155.b3lyp_6-31g(d).firefly.inp (generated)

045267155.b3lyp_6-31g(d).smash.inp (generated)

045267155.b3lyp_6-31g(d).nwchem.inp (generated) 045267155.b3lyp_6-31g(d).log.xz 045267155.mol 045267155.PUBCHEM 045267155.mol (via Jmol)
045267191.b3lyp_6-31g(d).inp

045267191.b3lyp_6-31g(d).qchem.inp (generated)

045267191.b3lyp_6-31g(d).gjf (generated)

045267191.b3lyp_6-31g(d).firefly.inp (generated)

045267191.b3lyp_6-31g(d).smash.inp (generated)

045267191.b3lyp_6-31g(d).nwchem.inp (generated) 045267191.b3lyp_6-31g(d).log.xz 045267191.td-b3lyp_6-31g+(d).inp 045267191.td-b3lyp_6-31g+(d).log.xz

045267191.td-b3lyp_6-31+g(d).qchem.inp (generated)

045267191.td-b3lyp_6-31+g(d).gjf (generated)

045267191.td-b3lyp_6-31+g(d).firefly.inp (generated)

045267191.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045267191.mol 045267191.PUBCHEM 045267191.mol (via Jmol)
045267218.b3lyp_6-31g(d).inp

045267218.b3lyp_6-31g(d).qchem.inp (generated)

045267218.b3lyp_6-31g(d).gjf (generated)

045267218.b3lyp_6-31g(d).firefly.inp (generated)

045267218.b3lyp_6-31g(d).smash.inp (generated)

045267218.b3lyp_6-31g(d).nwchem.inp (generated) 045267218.b3lyp_6-31g(d).log.xz 045267218.td-b3lyp_6-31g+(d).inp 045267218.td-b3lyp_6-31g+(d).log.xz

045267218.td-b3lyp_6-31+g(d).qchem.inp (generated)

045267218.td-b3lyp_6-31+g(d).gjf (generated)

045267218.td-b3lyp_6-31+g(d).firefly.inp (generated)

045267218.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045267218.mol 045267218.PUBCHEM 045267218.mol (via Jmol)
045267269.b3lyp_6-31g(d).inp

045267269.b3lyp_6-31g(d).qchem.inp (generated)

045267269.b3lyp_6-31g(d).gjf (generated)

045267269.b3lyp_6-31g(d).firefly.inp (generated)

045267269.b3lyp_6-31g(d).smash.inp (generated)

045267269.b3lyp_6-31g(d).nwchem.inp (generated) 045267269.b3lyp_6-31g(d).log.xz 045267269.td-b3lyp_6-31g+(d).inp 045267269.td-b3lyp_6-31g+(d).log.xz

045267269.td-b3lyp_6-31+g(d).qchem.inp (generated)

045267269.td-b3lyp_6-31+g(d).gjf (generated)

045267269.td-b3lyp_6-31+g(d).firefly.inp (generated)

045267269.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045267269.mol 045267269.PUBCHEM 045267269.mol (via Jmol)
045267275.b3lyp_6-31g(d).inp

045267275.b3lyp_6-31g(d).qchem.inp (generated)

045267275.b3lyp_6-31g(d).gjf (generated)

045267275.b3lyp_6-31g(d).firefly.inp (generated)

045267275.b3lyp_6-31g(d).smash.inp (generated)

045267275.b3lyp_6-31g(d).nwchem.inp (generated) 045267275.b3lyp_6-31g(d).log.xz 045267275.td-b3lyp_6-31g+(d).inp 045267275.td-b3lyp_6-31g+(d).log.xz

045267275.td-b3lyp_6-31+g(d).qchem.inp (generated)

045267275.td-b3lyp_6-31+g(d).gjf (generated)

045267275.td-b3lyp_6-31+g(d).firefly.inp (generated)

045267275.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045267275.mol 045267275.PUBCHEM 045267275.mol (via Jmol)
045267314.b3lyp_6-31g(d).inp

045267314.b3lyp_6-31g(d).qchem.inp (generated)

045267314.b3lyp_6-31g(d).gjf (generated)

045267314.b3lyp_6-31g(d).firefly.inp (generated)

045267314.b3lyp_6-31g(d).smash.inp (generated)

045267314.b3lyp_6-31g(d).nwchem.inp (generated) 045267314.b3lyp_6-31g(d).log.xz 045267314.td-b3lyp_6-31g+(d).inp 045267314.td-b3lyp_6-31g+(d).log.xz

045267314.td-b3lyp_6-31+g(d).qchem.inp (generated)

045267314.td-b3lyp_6-31+g(d).gjf (generated)

045267314.td-b3lyp_6-31+g(d).firefly.inp (generated)

045267314.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045267314.mol 045267314.PUBCHEM 045267314.mol (via Jmol)
045267507.b3lyp_6-31g(d).inp

045267507.b3lyp_6-31g(d).qchem.inp (generated)

045267507.b3lyp_6-31g(d).gjf (generated)

045267507.b3lyp_6-31g(d).firefly.inp (generated)

045267507.b3lyp_6-31g(d).smash.inp (generated)

045267507.b3lyp_6-31g(d).nwchem.inp (generated) 045267507.b3lyp_6-31g(d).log.xz 045267507.td-b3lyp_6-31g+(d).inp 045267507.td-b3lyp_6-31g+(d).log.xz

045267507.td-b3lyp_6-31+g(d).qchem.inp (generated)

045267507.td-b3lyp_6-31+g(d).gjf (generated)

045267507.td-b3lyp_6-31+g(d).firefly.inp (generated)

045267507.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045267507.mol 045267507.PUBCHEM 045267507.mol (via Jmol)
045267533.b3lyp_6-31g(d).inp

045267533.b3lyp_6-31g(d).qchem.inp (generated)

045267533.b3lyp_6-31g(d).gjf (generated)

045267533.b3lyp_6-31g(d).firefly.inp (generated)

045267533.b3lyp_6-31g(d).smash.inp (generated)

045267533.b3lyp_6-31g(d).nwchem.inp (generated) 045267533.b3lyp_6-31g(d).log.xz 045267533.td-b3lyp_6-31g+(d).inp 045267533.td-b3lyp_6-31g+(d).log.xz

045267533.td-b3lyp_6-31+g(d).qchem.inp (generated)

045267533.td-b3lyp_6-31+g(d).gjf (generated)

045267533.td-b3lyp_6-31+g(d).firefly.inp (generated)

045267533.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045267533.mol 045267533.PUBCHEM 045267533.mol (via Jmol)
045267702.b3lyp_6-31g(d).inp

045267702.b3lyp_6-31g(d).qchem.inp (generated)

045267702.b3lyp_6-31g(d).gjf (generated)

045267702.b3lyp_6-31g(d).firefly.inp (generated)

045267702.b3lyp_6-31g(d).smash.inp (generated)

045267702.b3lyp_6-31g(d).nwchem.inp (generated) 045267702.b3lyp_6-31g(d).log.xz 045267702.td-b3lyp_6-31g+(d).inp 045267702.td-b3lyp_6-31g+(d).log.xz

045267702.td-b3lyp_6-31+g(d).qchem.inp (generated)

045267702.td-b3lyp_6-31+g(d).gjf (generated)

045267702.td-b3lyp_6-31+g(d).firefly.inp (generated)

045267702.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045267702.mol 045267702.PUBCHEM 045267702.mol (via Jmol)
045267703.b3lyp_6-31g(d).inp

045267703.b3lyp_6-31g(d).qchem.inp (generated)

045267703.b3lyp_6-31g(d).gjf (generated)

045267703.b3lyp_6-31g(d).firefly.inp (generated)

045267703.b3lyp_6-31g(d).smash.inp (generated)

045267703.b3lyp_6-31g(d).nwchem.inp (generated) 045267703.b3lyp_6-31g(d).log.xz 045267703.td-b3lyp_6-31g+(d).inp 045267703.td-b3lyp_6-31g+(d).log.xz

045267703.td-b3lyp_6-31+g(d).qchem.inp (generated)

045267703.td-b3lyp_6-31+g(d).gjf (generated)

045267703.td-b3lyp_6-31+g(d).firefly.inp (generated)

045267703.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045267703.mol 045267703.PUBCHEM 045267703.mol (via Jmol)
045267781.b3lyp_6-31g(d).inp

045267781.b3lyp_6-31g(d).qchem.inp (generated)

045267781.b3lyp_6-31g(d).gjf (generated)

045267781.b3lyp_6-31g(d).firefly.inp (generated)

045267781.b3lyp_6-31g(d).smash.inp (generated)

045267781.b3lyp_6-31g(d).nwchem.inp (generated) 045267781.b3lyp_6-31g(d).log.xz 045267781.td-b3lyp_6-31g+(d).inp 045267781.td-b3lyp_6-31g+(d).log.xz

045267781.td-b3lyp_6-31+g(d).qchem.inp (generated)

045267781.td-b3lyp_6-31+g(d).gjf (generated)

045267781.td-b3lyp_6-31+g(d).firefly.inp (generated)

045267781.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045267781.mol 045267781.PUBCHEM 045267781.mol (via Jmol)
045267883.b3lyp_6-31g(d).inp

045267883.b3lyp_6-31g(d).qchem.inp (generated)

045267883.b3lyp_6-31g(d).gjf (generated)

045267883.b3lyp_6-31g(d).firefly.inp (generated)

045267883.b3lyp_6-31g(d).smash.inp (generated)

045267883.b3lyp_6-31g(d).nwchem.inp (generated) 045267883.b3lyp_6-31g(d).log.xz 045267883.td-b3lyp_6-31g+(d).inp 045267883.td-b3lyp_6-31g+(d).log.xz

045267883.td-b3lyp_6-31+g(d).qchem.inp (generated)

045267883.td-b3lyp_6-31+g(d).gjf (generated)

045267883.td-b3lyp_6-31+g(d).firefly.inp (generated)

045267883.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045267883.mol 045267883.PUBCHEM 045267883.mol (via Jmol)
045267884.b3lyp_6-31g(d).inp

045267884.b3lyp_6-31g(d).qchem.inp (generated)

045267884.b3lyp_6-31g(d).gjf (generated)

045267884.b3lyp_6-31g(d).firefly.inp (generated)

045267884.b3lyp_6-31g(d).smash.inp (generated)

045267884.b3lyp_6-31g(d).nwchem.inp (generated) 045267884.b3lyp_6-31g(d).log.xz 045267884.td-b3lyp_6-31g+(d).inp 045267884.td-b3lyp_6-31g+(d).log.xz

045267884.td-b3lyp_6-31+g(d).qchem.inp (generated)

045267884.td-b3lyp_6-31+g(d).gjf (generated)

045267884.td-b3lyp_6-31+g(d).firefly.inp (generated)

045267884.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045267884.mol 045267884.PUBCHEM 045267884.mol (via Jmol)
045267902.b3lyp_6-31g(d).inp

045267902.b3lyp_6-31g(d).qchem.inp (generated)

045267902.b3lyp_6-31g(d).gjf (generated)

045267902.b3lyp_6-31g(d).firefly.inp (generated)

045267902.b3lyp_6-31g(d).smash.inp (generated)

045267902.b3lyp_6-31g(d).nwchem.inp (generated) 045267902.b3lyp_6-31g(d).log.xz 045267902.mol 045267902.PUBCHEM 045267902.mol (via Jmol)
045267906.b3lyp_6-31g(d).inp

045267906.b3lyp_6-31g(d).qchem.inp (generated)

045267906.b3lyp_6-31g(d).gjf (generated)

045267906.b3lyp_6-31g(d).firefly.inp (generated)

045267906.b3lyp_6-31g(d).smash.inp (generated)

045267906.b3lyp_6-31g(d).nwchem.inp (generated) 045267906.b3lyp_6-31g(d).log.xz 045267906.td-b3lyp_6-31g+(d).inp 045267906.td-b3lyp_6-31g+(d).log.xz

045267906.td-b3lyp_6-31+g(d).qchem.inp (generated)

045267906.td-b3lyp_6-31+g(d).gjf (generated)

045267906.td-b3lyp_6-31+g(d).firefly.inp (generated)

045267906.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045267906.mol 045267906.PUBCHEM 045267906.mol (via Jmol)
045267911.b3lyp_6-31g(d).inp

045267911.b3lyp_6-31g(d).qchem.inp (generated)

045267911.b3lyp_6-31g(d).gjf (generated)

045267911.b3lyp_6-31g(d).firefly.inp (generated)

045267911.b3lyp_6-31g(d).smash.inp (generated)

045267911.b3lyp_6-31g(d).nwchem.inp (generated) 045267911.b3lyp_6-31g(d).log.xz 045267911.td-b3lyp_6-31g+(d).inp 045267911.td-b3lyp_6-31g+(d).log.xz

045267911.td-b3lyp_6-31+g(d).qchem.inp (generated)

045267911.td-b3lyp_6-31+g(d).gjf (generated)

045267911.td-b3lyp_6-31+g(d).firefly.inp (generated)

045267911.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045267911.mol 045267911.PUBCHEM 045267911.mol (via Jmol)
045267913.b3lyp_6-31g(d).inp

045267913.b3lyp_6-31g(d).qchem.inp (generated)

045267913.b3lyp_6-31g(d).gjf (generated)

045267913.b3lyp_6-31g(d).firefly.inp (generated)

045267913.b3lyp_6-31g(d).smash.inp (generated)

045267913.b3lyp_6-31g(d).nwchem.inp (generated) 045267913.b3lyp_6-31g(d).log.xz 045267913.td-b3lyp_6-31g+(d).inp 045267913.td-b3lyp_6-31g+(d).log.xz

045267913.td-b3lyp_6-31+g(d).qchem.inp (generated)

045267913.td-b3lyp_6-31+g(d).gjf (generated)

045267913.td-b3lyp_6-31+g(d).firefly.inp (generated)

045267913.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045267913.mol 045267913.PUBCHEM 045267913.mol (via Jmol)
045267926.b3lyp_6-31g(d).inp

045267926.b3lyp_6-31g(d).qchem.inp (generated)

045267926.b3lyp_6-31g(d).gjf (generated)

045267926.b3lyp_6-31g(d).firefly.inp (generated)

045267926.b3lyp_6-31g(d).smash.inp (generated)

045267926.b3lyp_6-31g(d).nwchem.inp (generated) 045267926.b3lyp_6-31g(d).log.xz 045267926.mol 045267926.PUBCHEM 045267926.mol (via Jmol)
045267938.b3lyp_6-31g(d).inp

045267938.b3lyp_6-31g(d).qchem.inp (generated)

045267938.b3lyp_6-31g(d).gjf (generated)

045267938.b3lyp_6-31g(d).firefly.inp (generated)

045267938.b3lyp_6-31g(d).smash.inp (generated)

045267938.b3lyp_6-31g(d).nwchem.inp (generated) 045267938.b3lyp_6-31g(d).log.xz 045267938.mol 045267938.PUBCHEM 045267938.mol (via Jmol)
045268156.b3lyp_6-31g(d).inp

045268156.b3lyp_6-31g(d).qchem.inp (generated)

045268156.b3lyp_6-31g(d).gjf (generated)

045268156.b3lyp_6-31g(d).firefly.inp (generated)

045268156.b3lyp_6-31g(d).smash.inp (generated)

045268156.b3lyp_6-31g(d).nwchem.inp (generated) 045268156.b3lyp_6-31g(d).log.xz 045268156.td-b3lyp_6-31g+(d).inp 045268156.td-b3lyp_6-31g+(d).log.xz

045268156.td-b3lyp_6-31+g(d).qchem.inp (generated)

045268156.td-b3lyp_6-31+g(d).gjf (generated)

045268156.td-b3lyp_6-31+g(d).firefly.inp (generated)

045268156.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045268156.mol 045268156.PUBCHEM 045268156.mol (via Jmol)
045268162.b3lyp_6-31g(d).inp

045268162.b3lyp_6-31g(d).qchem.inp (generated)

045268162.b3lyp_6-31g(d).gjf (generated)

045268162.b3lyp_6-31g(d).firefly.inp (generated)

045268162.b3lyp_6-31g(d).smash.inp (generated)

045268162.b3lyp_6-31g(d).nwchem.inp (generated) 045268162.b3lyp_6-31g(d).log.xz 045268162.td-b3lyp_6-31g+(d).inp 045268162.td-b3lyp_6-31g+(d).log.xz

045268162.td-b3lyp_6-31+g(d).qchem.inp (generated)

045268162.td-b3lyp_6-31+g(d).gjf (generated)

045268162.td-b3lyp_6-31+g(d).firefly.inp (generated)

045268162.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045268162.mol 045268162.PUBCHEM 045268162.mol (via Jmol)
045268239.b3lyp_6-31g(d).inp

045268239.b3lyp_6-31g(d).qchem.inp (generated)

045268239.b3lyp_6-31g(d).gjf (generated)

045268239.b3lyp_6-31g(d).firefly.inp (generated)

045268239.b3lyp_6-31g(d).smash.inp (generated)

045268239.b3lyp_6-31g(d).nwchem.inp (generated) 045268239.b3lyp_6-31g(d).log.xz 045268239.td-b3lyp_6-31g+(d).inp 045268239.td-b3lyp_6-31g+(d).log.xz

045268239.td-b3lyp_6-31+g(d).qchem.inp (generated)

045268239.td-b3lyp_6-31+g(d).gjf (generated)

045268239.td-b3lyp_6-31+g(d).firefly.inp (generated)

045268239.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045268239.mol 045268239.PUBCHEM 045268239.mol (via Jmol)
045268253.b3lyp_6-31g(d).inp

045268253.b3lyp_6-31g(d).qchem.inp (generated)

045268253.b3lyp_6-31g(d).gjf (generated)

045268253.b3lyp_6-31g(d).firefly.inp (generated)

045268253.b3lyp_6-31g(d).smash.inp (generated)

045268253.b3lyp_6-31g(d).nwchem.inp (generated) 045268253.b3lyp_6-31g(d).log.xz 045268253.td-b3lyp_6-31g+(d).inp 045268253.td-b3lyp_6-31g+(d).log.xz

045268253.td-b3lyp_6-31+g(d).qchem.inp (generated)

045268253.td-b3lyp_6-31+g(d).gjf (generated)

045268253.td-b3lyp_6-31+g(d).firefly.inp (generated)

045268253.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045268253.mol 045268253.PUBCHEM 045268253.mol (via Jmol)
045268403.b3lyp_6-31g(d).inp

045268403.b3lyp_6-31g(d).qchem.inp (generated)

045268403.b3lyp_6-31g(d).gjf (generated)

045268403.b3lyp_6-31g(d).firefly.inp (generated)

045268403.b3lyp_6-31g(d).smash.inp (generated)

045268403.b3lyp_6-31g(d).nwchem.inp (generated) 045268403.b3lyp_6-31g(d).log.xz 045268403.td-b3lyp_6-31g+(d).inp 045268403.td-b3lyp_6-31g+(d).log.xz

045268403.td-b3lyp_6-31+g(d).qchem.inp (generated)

045268403.td-b3lyp_6-31+g(d).gjf (generated)

045268403.td-b3lyp_6-31+g(d).firefly.inp (generated)

045268403.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045268403.mol 045268403.PUBCHEM 045268403.mol (via Jmol)
045268494.b3lyp_6-31g(d).inp

045268494.b3lyp_6-31g(d).qchem.inp (generated)

045268494.b3lyp_6-31g(d).gjf (generated)

045268494.b3lyp_6-31g(d).firefly.inp (generated)

045268494.b3lyp_6-31g(d).smash.inp (generated)

045268494.b3lyp_6-31g(d).nwchem.inp (generated) 045268494.b3lyp_6-31g(d).log.xz 045268494.mol 045268494.PUBCHEM 045268494.mol (via Jmol)
045268669.b3lyp_6-31g(d).inp

045268669.b3lyp_6-31g(d).qchem.inp (generated)

045268669.b3lyp_6-31g(d).gjf (generated)

045268669.b3lyp_6-31g(d).firefly.inp (generated)

045268669.b3lyp_6-31g(d).smash.inp (generated)

045268669.b3lyp_6-31g(d).nwchem.inp (generated) 045268669.b3lyp_6-31g(d).log.xz 045268669.td-b3lyp_6-31g+(d).inp 045268669.td-b3lyp_6-31g+(d).log.xz

045268669.td-b3lyp_6-31+g(d).qchem.inp (generated)

045268669.td-b3lyp_6-31+g(d).gjf (generated)

045268669.td-b3lyp_6-31+g(d).firefly.inp (generated)

045268669.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045268669.mol 045268669.PUBCHEM 045268669.mol (via Jmol)
045268736.b3lyp_6-31g(d).inp

045268736.b3lyp_6-31g(d).qchem.inp (generated)

045268736.b3lyp_6-31g(d).gjf (generated)

045268736.b3lyp_6-31g(d).firefly.inp (generated)

045268736.b3lyp_6-31g(d).smash.inp (generated)

045268736.b3lyp_6-31g(d).nwchem.inp (generated) 045268736.b3lyp_6-31g(d).log.xz 045268736.mol 045268736.PUBCHEM 045268736.mol (via Jmol)
045268797.b3lyp_6-31g(d).inp

045268797.b3lyp_6-31g(d).qchem.inp (generated)

045268797.b3lyp_6-31g(d).gjf (generated)

045268797.b3lyp_6-31g(d).firefly.inp (generated)

045268797.b3lyp_6-31g(d).smash.inp (generated)

045268797.b3lyp_6-31g(d).nwchem.inp (generated) 045268797.b3lyp_6-31g(d).log.xz 045268797.td-b3lyp_6-31g+(d).inp 045268797.td-b3lyp_6-31g+(d).log.xz

045268797.td-b3lyp_6-31+g(d).qchem.inp (generated)

045268797.td-b3lyp_6-31+g(d).gjf (generated)

045268797.td-b3lyp_6-31+g(d).firefly.inp (generated)

045268797.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045268797.mol 045268797.PUBCHEM 045268797.mol (via Jmol)
045269018.b3lyp_6-31g(d).inp

045269018.b3lyp_6-31g(d).qchem.inp (generated)

045269018.b3lyp_6-31g(d).gjf (generated)

045269018.b3lyp_6-31g(d).firefly.inp (generated)

045269018.b3lyp_6-31g(d).smash.inp (generated)

045269018.b3lyp_6-31g(d).nwchem.inp (generated) 045269018.b3lyp_6-31g(d).log.xz 045269018.mol 045269018.PUBCHEM 045269018.mol (via Jmol)
045269071.b3lyp_6-31g(d).inp

045269071.b3lyp_6-31g(d).qchem.inp (generated)

045269071.b3lyp_6-31g(d).gjf (generated)

045269071.b3lyp_6-31g(d).firefly.inp (generated)

045269071.b3lyp_6-31g(d).smash.inp (generated)

045269071.b3lyp_6-31g(d).nwchem.inp (generated) 045269071.b3lyp_6-31g(d).log.xz 045269071.td-b3lyp_6-31g+(d).inp 045269071.td-b3lyp_6-31g+(d).log.xz

045269071.td-b3lyp_6-31+g(d).qchem.inp (generated)

045269071.td-b3lyp_6-31+g(d).gjf (generated)

045269071.td-b3lyp_6-31+g(d).firefly.inp (generated)

045269071.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045269071.mol 045269071.PUBCHEM 045269071.mol (via Jmol)
045269148.b3lyp_6-31g(d).inp

045269148.b3lyp_6-31g(d).qchem.inp (generated)

045269148.b3lyp_6-31g(d).gjf (generated)

045269148.b3lyp_6-31g(d).firefly.inp (generated)

045269148.b3lyp_6-31g(d).smash.inp (generated)

045269148.b3lyp_6-31g(d).nwchem.inp (generated) 045269148.b3lyp_6-31g(d).log.xz 045269148.td-b3lyp_6-31g+(d).inp 045269148.td-b3lyp_6-31g+(d).log.xz

045269148.td-b3lyp_6-31+g(d).qchem.inp (generated)

045269148.td-b3lyp_6-31+g(d).gjf (generated)

045269148.td-b3lyp_6-31+g(d).firefly.inp (generated)

045269148.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045269148.mol 045269148.PUBCHEM 045269148.mol (via Jmol)
045269237.b3lyp_6-31g(d).inp

045269237.b3lyp_6-31g(d).qchem.inp (generated)

045269237.b3lyp_6-31g(d).gjf (generated)

045269237.b3lyp_6-31g(d).firefly.inp (generated)

045269237.b3lyp_6-31g(d).smash.inp (generated)

045269237.b3lyp_6-31g(d).nwchem.inp (generated) 045269237.b3lyp_6-31g(d).log.xz 045269237.td-b3lyp_6-31g+(d).inp 045269237.td-b3lyp_6-31g+(d).log.xz

045269237.td-b3lyp_6-31+g(d).qchem.inp (generated)

045269237.td-b3lyp_6-31+g(d).gjf (generated)

045269237.td-b3lyp_6-31+g(d).firefly.inp (generated)

045269237.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045269237.mol 045269237.PUBCHEM 045269237.mol (via Jmol)
045269259.b3lyp_6-31g(d).inp

045269259.b3lyp_6-31g(d).qchem.inp (generated)

045269259.b3lyp_6-31g(d).gjf (generated)

045269259.b3lyp_6-31g(d).firefly.inp (generated)

045269259.b3lyp_6-31g(d).smash.inp (generated)

045269259.b3lyp_6-31g(d).nwchem.inp (generated) 045269259.b3lyp_6-31g(d).log.xz 045269259.mol 045269259.PUBCHEM 045269259.mol (via Jmol)
045269278.b3lyp_6-31g(d).inp

045269278.b3lyp_6-31g(d).qchem.inp (generated)

045269278.b3lyp_6-31g(d).gjf (generated)

045269278.b3lyp_6-31g(d).firefly.inp (generated)

045269278.b3lyp_6-31g(d).smash.inp (generated)

045269278.b3lyp_6-31g(d).nwchem.inp (generated) 045269278.b3lyp_6-31g(d).log.xz 045269278.td-b3lyp_6-31g+(d).inp 045269278.td-b3lyp_6-31g+(d).log.xz

045269278.td-b3lyp_6-31+g(d).qchem.inp (generated)

045269278.td-b3lyp_6-31+g(d).gjf (generated)

045269278.td-b3lyp_6-31+g(d).firefly.inp (generated)

045269278.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045269278.mol 045269278.PUBCHEM 045269278.mol (via Jmol)
045269350.b3lyp_6-31g(d).inp

045269350.b3lyp_6-31g(d).qchem.inp (generated)

045269350.b3lyp_6-31g(d).gjf (generated)

045269350.b3lyp_6-31g(d).firefly.inp (generated)

045269350.b3lyp_6-31g(d).smash.inp (generated)

045269350.b3lyp_6-31g(d).nwchem.inp (generated) 045269350.b3lyp_6-31g(d).log.xz 045269350.td-b3lyp_6-31g+(d).inp 045269350.td-b3lyp_6-31g+(d).log.xz

045269350.td-b3lyp_6-31+g(d).qchem.inp (generated)

045269350.td-b3lyp_6-31+g(d).gjf (generated)

045269350.td-b3lyp_6-31+g(d).firefly.inp (generated)

045269350.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045269350.mol 045269350.PUBCHEM 045269350.mol (via Jmol)
045269524.b3lyp_6-31g(d).inp

045269524.b3lyp_6-31g(d).qchem.inp (generated)

045269524.b3lyp_6-31g(d).gjf (generated)

045269524.b3lyp_6-31g(d).firefly.inp (generated)

045269524.b3lyp_6-31g(d).smash.inp (generated)

045269524.b3lyp_6-31g(d).nwchem.inp (generated) 045269524.b3lyp_6-31g(d).log.xz 045269524.td-b3lyp_6-31g+(d).inp 045269524.td-b3lyp_6-31g+(d).log.xz

045269524.td-b3lyp_6-31+g(d).qchem.inp (generated)

045269524.td-b3lyp_6-31+g(d).gjf (generated)

045269524.td-b3lyp_6-31+g(d).firefly.inp (generated)

045269524.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045269524.mol 045269524.PUBCHEM 045269524.mol (via Jmol)
045269538.b3lyp_6-31g(d).inp

045269538.b3lyp_6-31g(d).qchem.inp (generated)

045269538.b3lyp_6-31g(d).gjf (generated)

045269538.b3lyp_6-31g(d).firefly.inp (generated)

045269538.b3lyp_6-31g(d).smash.inp (generated)

045269538.b3lyp_6-31g(d).nwchem.inp (generated) 045269538.b3lyp_6-31g(d).log.xz 045269538.td-b3lyp_6-31g+(d).inp 045269538.td-b3lyp_6-31g+(d).log.xz

045269538.td-b3lyp_6-31+g(d).qchem.inp (generated)

045269538.td-b3lyp_6-31+g(d).gjf (generated)

045269538.td-b3lyp_6-31+g(d).firefly.inp (generated)

045269538.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045269538.mol 045269538.PUBCHEM 045269538.mol (via Jmol)
045269616.b3lyp_6-31g(d).inp

045269616.b3lyp_6-31g(d).qchem.inp (generated)

045269616.b3lyp_6-31g(d).gjf (generated)

045269616.b3lyp_6-31g(d).firefly.inp (generated)

045269616.b3lyp_6-31g(d).smash.inp (generated)

045269616.b3lyp_6-31g(d).nwchem.inp (generated) 045269616.b3lyp_6-31g(d).log.xz 045269616.td-b3lyp_6-31g+(d).inp 045269616.td-b3lyp_6-31g+(d).log.xz

045269616.td-b3lyp_6-31+g(d).qchem.inp (generated)

045269616.td-b3lyp_6-31+g(d).gjf (generated)

045269616.td-b3lyp_6-31+g(d).firefly.inp (generated)

045269616.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045269616.mol 045269616.PUBCHEM 045269616.mol (via Jmol)
045269636.b3lyp_6-31g(d).inp

045269636.b3lyp_6-31g(d).qchem.inp (generated)

045269636.b3lyp_6-31g(d).gjf (generated)

045269636.b3lyp_6-31g(d).firefly.inp (generated)

045269636.b3lyp_6-31g(d).smash.inp (generated)

045269636.b3lyp_6-31g(d).nwchem.inp (generated) 045269636.b3lyp_6-31g(d).log.xz 045269636.td-b3lyp_6-31g+(d).inp 045269636.td-b3lyp_6-31g+(d).log.xz

045269636.td-b3lyp_6-31+g(d).qchem.inp (generated)

045269636.td-b3lyp_6-31+g(d).gjf (generated)

045269636.td-b3lyp_6-31+g(d).firefly.inp (generated)

045269636.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045269636.mol 045269636.PUBCHEM 045269636.mol (via Jmol)
045269644.b3lyp_6-31g(d).inp

045269644.b3lyp_6-31g(d).qchem.inp (generated)

045269644.b3lyp_6-31g(d).gjf (generated)

045269644.b3lyp_6-31g(d).firefly.inp (generated)

045269644.b3lyp_6-31g(d).smash.inp (generated)

045269644.b3lyp_6-31g(d).nwchem.inp (generated) 045269644.b3lyp_6-31g(d).log.xz 045269644.td-b3lyp_6-31g+(d).inp 045269644.td-b3lyp_6-31g+(d).log.xz

045269644.td-b3lyp_6-31+g(d).qchem.inp (generated)

045269644.td-b3lyp_6-31+g(d).gjf (generated)

045269644.td-b3lyp_6-31+g(d).firefly.inp (generated)

045269644.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045269644.mol 045269644.PUBCHEM 045269644.mol (via Jmol)
045269746.b3lyp_6-31g(d).inp

045269746.b3lyp_6-31g(d).qchem.inp (generated)

045269746.b3lyp_6-31g(d).gjf (generated)

045269746.b3lyp_6-31g(d).firefly.inp (generated)

045269746.b3lyp_6-31g(d).smash.inp (generated)

045269746.b3lyp_6-31g(d).nwchem.inp (generated) 045269746.b3lyp_6-31g(d).log.xz 045269746.td-b3lyp_6-31g+(d).inp 045269746.td-b3lyp_6-31g+(d).log.xz

045269746.td-b3lyp_6-31+g(d).qchem.inp (generated)

045269746.td-b3lyp_6-31+g(d).gjf (generated)

045269746.td-b3lyp_6-31+g(d).firefly.inp (generated)

045269746.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045269746.mol 045269746.PUBCHEM 045269746.mol (via Jmol)
045269809.b3lyp_6-31g(d).inp

045269809.b3lyp_6-31g(d).qchem.inp (generated)

045269809.b3lyp_6-31g(d).gjf (generated)

045269809.b3lyp_6-31g(d).firefly.inp (generated)

045269809.b3lyp_6-31g(d).smash.inp (generated)

045269809.b3lyp_6-31g(d).nwchem.inp (generated) 045269809.b3lyp_6-31g(d).log.xz 045269809.td-b3lyp_6-31g+(d).inp 045269809.td-b3lyp_6-31g+(d).log.xz

045269809.td-b3lyp_6-31+g(d).qchem.inp (generated)

045269809.td-b3lyp_6-31+g(d).gjf (generated)

045269809.td-b3lyp_6-31+g(d).firefly.inp (generated)

045269809.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045269809.mol 045269809.PUBCHEM 045269809.mol (via Jmol)
045269932.b3lyp_6-31g(d).inp

045269932.b3lyp_6-31g(d).qchem.inp (generated)

045269932.b3lyp_6-31g(d).gjf (generated)

045269932.b3lyp_6-31g(d).firefly.inp (generated)

045269932.b3lyp_6-31g(d).smash.inp (generated)

045269932.b3lyp_6-31g(d).nwchem.inp (generated) 045269932.b3lyp_6-31g(d).log.xz 045269932.td-b3lyp_6-31g+(d).inp 045269932.td-b3lyp_6-31g+(d).log.xz

045269932.td-b3lyp_6-31+g(d).qchem.inp (generated)

045269932.td-b3lyp_6-31+g(d).gjf (generated)

045269932.td-b3lyp_6-31+g(d).firefly.inp (generated)

045269932.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045269932.mol 045269932.PUBCHEM 045269932.mol (via Jmol)
045269983.b3lyp_6-31g(d).inp

045269983.b3lyp_6-31g(d).qchem.inp (generated)

045269983.b3lyp_6-31g(d).gjf (generated)

045269983.b3lyp_6-31g(d).firefly.inp (generated)

045269983.b3lyp_6-31g(d).smash.inp (generated)

045269983.b3lyp_6-31g(d).nwchem.inp (generated) 045269983.b3lyp_6-31g(d).log.xz 045269983.td-b3lyp_6-31g+(d).inp 045269983.td-b3lyp_6-31g+(d).log.xz

045269983.td-b3lyp_6-31+g(d).qchem.inp (generated)

045269983.td-b3lyp_6-31+g(d).gjf (generated)

045269983.td-b3lyp_6-31+g(d).firefly.inp (generated)

045269983.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045269983.mol 045269983.PUBCHEM 045269983.mol (via Jmol)
045270020.b3lyp_6-31g(d).inp

045270020.b3lyp_6-31g(d).qchem.inp (generated)

045270020.b3lyp_6-31g(d).gjf (generated)

045270020.b3lyp_6-31g(d).firefly.inp (generated)

045270020.b3lyp_6-31g(d).smash.inp (generated)

045270020.b3lyp_6-31g(d).nwchem.inp (generated) 045270020.b3lyp_6-31g(d).log.xz 045270020.mol 045270020.PUBCHEM 045270020.mol (via Jmol)
045270028.b3lyp_6-31g(d).inp

045270028.b3lyp_6-31g(d).qchem.inp (generated)

045270028.b3lyp_6-31g(d).gjf (generated)

045270028.b3lyp_6-31g(d).firefly.inp (generated)

045270028.b3lyp_6-31g(d).smash.inp (generated)

045270028.b3lyp_6-31g(d).nwchem.inp (generated) 045270028.b3lyp_6-31g(d).log.xz 045270028.td-b3lyp_6-31g+(d).inp 045270028.td-b3lyp_6-31g+(d).log.xz

045270028.td-b3lyp_6-31+g(d).qchem.inp (generated)

045270028.td-b3lyp_6-31+g(d).gjf (generated)

045270028.td-b3lyp_6-31+g(d).firefly.inp (generated)

045270028.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045270028.mol 045270028.PUBCHEM 045270028.mol (via Jmol)
045270038.b3lyp_6-31g(d).inp

045270038.b3lyp_6-31g(d).qchem.inp (generated)

045270038.b3lyp_6-31g(d).gjf (generated)

045270038.b3lyp_6-31g(d).firefly.inp (generated)

045270038.b3lyp_6-31g(d).smash.inp (generated)

045270038.b3lyp_6-31g(d).nwchem.inp (generated) 045270038.b3lyp_6-31g(d).log.xz 045270038.td-b3lyp_6-31g+(d).inp 045270038.td-b3lyp_6-31g+(d).log.xz

045270038.td-b3lyp_6-31+g(d).qchem.inp (generated)

045270038.td-b3lyp_6-31+g(d).gjf (generated)

045270038.td-b3lyp_6-31+g(d).firefly.inp (generated)

045270038.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045270038.mol 045270038.PUBCHEM 045270038.mol (via Jmol)
045270471.b3lyp_6-31g(d).inp

045270471.b3lyp_6-31g(d).qchem.inp (generated)

045270471.b3lyp_6-31g(d).gjf (generated)

045270471.b3lyp_6-31g(d).firefly.inp (generated)

045270471.b3lyp_6-31g(d).smash.inp (generated)

045270471.b3lyp_6-31g(d).nwchem.inp (generated) 045270471.b3lyp_6-31g(d).log.xz 045270471.td-b3lyp_6-31g+(d).inp 045270471.td-b3lyp_6-31g+(d).log.xz

045270471.td-b3lyp_6-31+g(d).qchem.inp (generated)

045270471.td-b3lyp_6-31+g(d).gjf (generated)

045270471.td-b3lyp_6-31+g(d).firefly.inp (generated)

045270471.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045270471.mol 045270471.PUBCHEM 045270471.mol (via Jmol)
045270487.b3lyp_6-31g(d).inp

045270487.b3lyp_6-31g(d).qchem.inp (generated)

045270487.b3lyp_6-31g(d).gjf (generated)

045270487.b3lyp_6-31g(d).firefly.inp (generated)

045270487.b3lyp_6-31g(d).smash.inp (generated)

045270487.b3lyp_6-31g(d).nwchem.inp (generated) 045270487.b3lyp_6-31g(d).log.xz 045270487.td-b3lyp_6-31g+(d).inp 045270487.td-b3lyp_6-31g+(d).log.xz

045270487.td-b3lyp_6-31+g(d).qchem.inp (generated)

045270487.td-b3lyp_6-31+g(d).gjf (generated)

045270487.td-b3lyp_6-31+g(d).firefly.inp (generated)

045270487.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045270487.mol 045270487.PUBCHEM 045270487.mol (via Jmol)
045270810.b3lyp_6-31g(d).inp

045270810.b3lyp_6-31g(d).qchem.inp (generated)

045270810.b3lyp_6-31g(d).gjf (generated)

045270810.b3lyp_6-31g(d).firefly.inp (generated)

045270810.b3lyp_6-31g(d).smash.inp (generated)

045270810.b3lyp_6-31g(d).nwchem.inp (generated) 045270810.b3lyp_6-31g(d).log.xz 045270810.td-b3lyp_6-31g+(d).inp 045270810.td-b3lyp_6-31g+(d).log.xz

045270810.td-b3lyp_6-31+g(d).qchem.inp (generated)

045270810.td-b3lyp_6-31+g(d).gjf (generated)

045270810.td-b3lyp_6-31+g(d).firefly.inp (generated)

045270810.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045270810.mol 045270810.PUBCHEM 045270810.mol (via Jmol)
045270840.b3lyp_6-31g(d).inp

045270840.b3lyp_6-31g(d).qchem.inp (generated)

045270840.b3lyp_6-31g(d).gjf (generated)

045270840.b3lyp_6-31g(d).firefly.inp (generated)

045270840.b3lyp_6-31g(d).smash.inp (generated)

045270840.b3lyp_6-31g(d).nwchem.inp (generated) 045270840.b3lyp_6-31g(d).log.xz 045270840.td-b3lyp_6-31g+(d).inp 045270840.td-b3lyp_6-31g+(d).log.xz

045270840.td-b3lyp_6-31+g(d).qchem.inp (generated)

045270840.td-b3lyp_6-31+g(d).gjf (generated)

045270840.td-b3lyp_6-31+g(d).firefly.inp (generated)

045270840.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045270840.mol 045270840.PUBCHEM 045270840.mol (via Jmol)
045271035.b3lyp_6-31g(d).inp

045271035.b3lyp_6-31g(d).qchem.inp (generated)

045271035.b3lyp_6-31g(d).gjf (generated)

045271035.b3lyp_6-31g(d).firefly.inp (generated)

045271035.b3lyp_6-31g(d).smash.inp (generated)

045271035.b3lyp_6-31g(d).nwchem.inp (generated) 045271035.b3lyp_6-31g(d).log.xz 045271035.td-b3lyp_6-31g+(d).inp 045271035.td-b3lyp_6-31g+(d).log.xz

045271035.td-b3lyp_6-31+g(d).qchem.inp (generated)

045271035.td-b3lyp_6-31+g(d).gjf (generated)

045271035.td-b3lyp_6-31+g(d).firefly.inp (generated)

045271035.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045271035.mol 045271035.PUBCHEM 045271035.mol (via Jmol)
045271047.b3lyp_6-31g(d).inp

045271047.b3lyp_6-31g(d).qchem.inp (generated)

045271047.b3lyp_6-31g(d).gjf (generated)

045271047.b3lyp_6-31g(d).firefly.inp (generated)

045271047.b3lyp_6-31g(d).smash.inp (generated)

045271047.b3lyp_6-31g(d).nwchem.inp (generated) 045271047.b3lyp_6-31g(d).log.xz 045271047.td-b3lyp_6-31g+(d).inp 045271047.td-b3lyp_6-31g+(d).log.xz

045271047.td-b3lyp_6-31+g(d).qchem.inp (generated)

045271047.td-b3lyp_6-31+g(d).gjf (generated)

045271047.td-b3lyp_6-31+g(d).firefly.inp (generated)

045271047.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045271047.mol 045271047.PUBCHEM 045271047.mol (via Jmol)
045271300.b3lyp_6-31g(d).inp

045271300.b3lyp_6-31g(d).qchem.inp (generated)

045271300.b3lyp_6-31g(d).gjf (generated)

045271300.b3lyp_6-31g(d).firefly.inp (generated)

045271300.b3lyp_6-31g(d).smash.inp (generated)

045271300.b3lyp_6-31g(d).nwchem.inp (generated) 045271300.b3lyp_6-31g(d).log.xz 045271300.td-b3lyp_6-31g+(d).inp 045271300.td-b3lyp_6-31g+(d).log.xz

045271300.td-b3lyp_6-31+g(d).qchem.inp (generated)

045271300.td-b3lyp_6-31+g(d).gjf (generated)

045271300.td-b3lyp_6-31+g(d).firefly.inp (generated)

045271300.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045271300.mol 045271300.PUBCHEM 045271300.mol (via Jmol)
045271326.b3lyp_6-31g(d).inp

045271326.b3lyp_6-31g(d).qchem.inp (generated)

045271326.b3lyp_6-31g(d).gjf (generated)

045271326.b3lyp_6-31g(d).firefly.inp (generated)

045271326.b3lyp_6-31g(d).smash.inp (generated)

045271326.b3lyp_6-31g(d).nwchem.inp (generated) 045271326.b3lyp_6-31g(d).log.xz 045271326.td-b3lyp_6-31g+(d).inp 045271326.td-b3lyp_6-31g+(d).log.xz

045271326.td-b3lyp_6-31+g(d).qchem.inp (generated)

045271326.td-b3lyp_6-31+g(d).gjf (generated)

045271326.td-b3lyp_6-31+g(d).firefly.inp (generated)

045271326.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045271326.mol 045271326.PUBCHEM 045271326.mol (via Jmol)
045271388.b3lyp_6-31g(d).inp

045271388.b3lyp_6-31g(d).qchem.inp (generated)

045271388.b3lyp_6-31g(d).gjf (generated)

045271388.b3lyp_6-31g(d).firefly.inp (generated)

045271388.b3lyp_6-31g(d).smash.inp (generated)

045271388.b3lyp_6-31g(d).nwchem.inp (generated) 045271388.b3lyp_6-31g(d).log.xz 045271388.mol 045271388.PUBCHEM 045271388.mol (via Jmol)
045271635.b3lyp_6-31g(d).inp

045271635.b3lyp_6-31g(d).qchem.inp (generated)

045271635.b3lyp_6-31g(d).gjf (generated)

045271635.b3lyp_6-31g(d).firefly.inp (generated)

045271635.b3lyp_6-31g(d).smash.inp (generated)

045271635.b3lyp_6-31g(d).nwchem.inp (generated) 045271635.b3lyp_6-31g(d).log.xz 045271635.td-b3lyp_6-31g+(d).inp 045271635.td-b3lyp_6-31g+(d).log.xz

045271635.td-b3lyp_6-31+g(d).qchem.inp (generated)

045271635.td-b3lyp_6-31+g(d).gjf (generated)

045271635.td-b3lyp_6-31+g(d).firefly.inp (generated)

045271635.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045271635.mol 045271635.PUBCHEM 045271635.mol (via Jmol)
045271793.b3lyp_6-31g(d).inp

045271793.b3lyp_6-31g(d).qchem.inp (generated)

045271793.b3lyp_6-31g(d).gjf (generated)

045271793.b3lyp_6-31g(d).firefly.inp (generated)

045271793.b3lyp_6-31g(d).smash.inp (generated)

045271793.b3lyp_6-31g(d).nwchem.inp (generated) 045271793.b3lyp_6-31g(d).log.xz 045271793.td-b3lyp_6-31g+(d).inp 045271793.td-b3lyp_6-31g+(d).log.xz

045271793.td-b3lyp_6-31+g(d).qchem.inp (generated)

045271793.td-b3lyp_6-31+g(d).gjf (generated)

045271793.td-b3lyp_6-31+g(d).firefly.inp (generated)

045271793.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045271793.mol 045271793.PUBCHEM 045271793.mol (via Jmol)
045272151.b3lyp_6-31g(d).inp

045272151.b3lyp_6-31g(d).qchem.inp (generated)

045272151.b3lyp_6-31g(d).gjf (generated)

045272151.b3lyp_6-31g(d).firefly.inp (generated)

045272151.b3lyp_6-31g(d).smash.inp (generated)

045272151.b3lyp_6-31g(d).nwchem.inp (generated) 045272151.b3lyp_6-31g(d).log.xz 045272151.td-b3lyp_6-31g+(d).inp 045272151.td-b3lyp_6-31g+(d).log.xz

045272151.td-b3lyp_6-31+g(d).qchem.inp (generated)

045272151.td-b3lyp_6-31+g(d).gjf (generated)

045272151.td-b3lyp_6-31+g(d).firefly.inp (generated)

045272151.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045272151.mol 045272151.PUBCHEM 045272151.mol (via Jmol)
045272169.b3lyp_6-31g(d).inp

045272169.b3lyp_6-31g(d).qchem.inp (generated)

045272169.b3lyp_6-31g(d).gjf (generated)

045272169.b3lyp_6-31g(d).firefly.inp (generated)

045272169.b3lyp_6-31g(d).smash.inp (generated)

045272169.b3lyp_6-31g(d).nwchem.inp (generated) 045272169.b3lyp_6-31g(d).log.xz 045272169.mol 045272169.PUBCHEM 045272169.mol (via Jmol)
045272211.b3lyp_6-31g(d).inp

045272211.b3lyp_6-31g(d).qchem.inp (generated)

045272211.b3lyp_6-31g(d).gjf (generated)

045272211.b3lyp_6-31g(d).firefly.inp (generated)

045272211.b3lyp_6-31g(d).smash.inp (generated)

045272211.b3lyp_6-31g(d).nwchem.inp (generated) 045272211.b3lyp_6-31g(d).log.xz 045272211.td-b3lyp_6-31g+(d).inp 045272211.td-b3lyp_6-31g+(d).log.xz

045272211.td-b3lyp_6-31+g(d).qchem.inp (generated)

045272211.td-b3lyp_6-31+g(d).gjf (generated)

045272211.td-b3lyp_6-31+g(d).firefly.inp (generated)

045272211.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045272211.mol 045272211.PUBCHEM 045272211.mol (via Jmol)
045272307.b3lyp_6-31g(d).inp

045272307.b3lyp_6-31g(d).qchem.inp (generated)

045272307.b3lyp_6-31g(d).gjf (generated)

045272307.b3lyp_6-31g(d).firefly.inp (generated)

045272307.b3lyp_6-31g(d).smash.inp (generated)

045272307.b3lyp_6-31g(d).nwchem.inp (generated) 045272307.b3lyp_6-31g(d).log.xz 045272307.td-b3lyp_6-31g+(d).inp 045272307.td-b3lyp_6-31g+(d).log.xz

045272307.td-b3lyp_6-31+g(d).qchem.inp (generated)

045272307.td-b3lyp_6-31+g(d).gjf (generated)

045272307.td-b3lyp_6-31+g(d).firefly.inp (generated)

045272307.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045272307.mol 045272307.PUBCHEM 045272307.mol (via Jmol)
045272354.b3lyp_6-31g(d).inp

045272354.b3lyp_6-31g(d).qchem.inp (generated)

045272354.b3lyp_6-31g(d).gjf (generated)

045272354.b3lyp_6-31g(d).firefly.inp (generated)

045272354.b3lyp_6-31g(d).smash.inp (generated)

045272354.b3lyp_6-31g(d).nwchem.inp (generated) 045272354.b3lyp_6-31g(d).log.xz 045272354.td-b3lyp_6-31g+(d).inp 045272354.td-b3lyp_6-31g+(d).log.xz

045272354.td-b3lyp_6-31+g(d).qchem.inp (generated)

045272354.td-b3lyp_6-31+g(d).gjf (generated)

045272354.td-b3lyp_6-31+g(d).firefly.inp (generated)

045272354.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045272354.mol 045272354.PUBCHEM 045272354.mol (via Jmol)
045272369.b3lyp_6-31g(d).inp

045272369.b3lyp_6-31g(d).qchem.inp (generated)

045272369.b3lyp_6-31g(d).gjf (generated)

045272369.b3lyp_6-31g(d).firefly.inp (generated)

045272369.b3lyp_6-31g(d).smash.inp (generated)

045272369.b3lyp_6-31g(d).nwchem.inp (generated) 045272369.b3lyp_6-31g(d).log.xz 045272369.td-b3lyp_6-31g+(d).inp 045272369.td-b3lyp_6-31g+(d).log.xz

045272369.td-b3lyp_6-31+g(d).qchem.inp (generated)

045272369.td-b3lyp_6-31+g(d).gjf (generated)

045272369.td-b3lyp_6-31+g(d).firefly.inp (generated)

045272369.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045272369.mol 045272369.PUBCHEM 045272369.mol (via Jmol)
045272441.b3lyp_6-31g(d).inp

045272441.b3lyp_6-31g(d).qchem.inp (generated)

045272441.b3lyp_6-31g(d).gjf (generated)

045272441.b3lyp_6-31g(d).firefly.inp (generated)

045272441.b3lyp_6-31g(d).smash.inp (generated)

045272441.b3lyp_6-31g(d).nwchem.inp (generated) 045272441.b3lyp_6-31g(d).log.xz 045272441.td-b3lyp_6-31g+(d).inp 045272441.td-b3lyp_6-31g+(d).log.xz

045272441.td-b3lyp_6-31+g(d).qchem.inp (generated)

045272441.td-b3lyp_6-31+g(d).gjf (generated)

045272441.td-b3lyp_6-31+g(d).firefly.inp (generated)

045272441.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045272441.mol 045272441.PUBCHEM 045272441.mol (via Jmol)
045272529.b3lyp_6-31g(d).inp

045272529.b3lyp_6-31g(d).qchem.inp (generated)

045272529.b3lyp_6-31g(d).gjf (generated)

045272529.b3lyp_6-31g(d).firefly.inp (generated)

045272529.b3lyp_6-31g(d).smash.inp (generated)

045272529.b3lyp_6-31g(d).nwchem.inp (generated) 045272529.b3lyp_6-31g(d).log.xz 045272529.td-b3lyp_6-31g+(d).inp 045272529.td-b3lyp_6-31g+(d).log.xz

045272529.td-b3lyp_6-31+g(d).qchem.inp (generated)

045272529.td-b3lyp_6-31+g(d).gjf (generated)

045272529.td-b3lyp_6-31+g(d).firefly.inp (generated)

045272529.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045272529.mol 045272529.PUBCHEM 045272529.mol (via Jmol)
045272530.b3lyp_6-31g(d).inp

045272530.b3lyp_6-31g(d).qchem.inp (generated)

045272530.b3lyp_6-31g(d).gjf (generated)

045272530.b3lyp_6-31g(d).firefly.inp (generated)

045272530.b3lyp_6-31g(d).smash.inp (generated)

045272530.b3lyp_6-31g(d).nwchem.inp (generated) 045272530.b3lyp_6-31g(d).log.xz 045272530.td-b3lyp_6-31g+(d).inp 045272530.td-b3lyp_6-31g+(d).log.xz

045272530.td-b3lyp_6-31+g(d).qchem.inp (generated)

045272530.td-b3lyp_6-31+g(d).gjf (generated)

045272530.td-b3lyp_6-31+g(d).firefly.inp (generated)

045272530.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045272530.mol 045272530.PUBCHEM 045272530.mol (via Jmol)
045272531.b3lyp_6-31g(d).inp

045272531.b3lyp_6-31g(d).qchem.inp (generated)

045272531.b3lyp_6-31g(d).gjf (generated)

045272531.b3lyp_6-31g(d).firefly.inp (generated)

045272531.b3lyp_6-31g(d).smash.inp (generated)

045272531.b3lyp_6-31g(d).nwchem.inp (generated) 045272531.b3lyp_6-31g(d).log.xz 045272531.td-b3lyp_6-31g+(d).inp 045272531.td-b3lyp_6-31g+(d).log.xz

045272531.td-b3lyp_6-31+g(d).qchem.inp (generated)

045272531.td-b3lyp_6-31+g(d).gjf (generated)

045272531.td-b3lyp_6-31+g(d).firefly.inp (generated)

045272531.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045272531.mol 045272531.PUBCHEM 045272531.mol (via Jmol)
045272648.b3lyp_6-31g(d).inp

045272648.b3lyp_6-31g(d).qchem.inp (generated)

045272648.b3lyp_6-31g(d).gjf (generated)

045272648.b3lyp_6-31g(d).firefly.inp (generated)

045272648.b3lyp_6-31g(d).smash.inp (generated)

045272648.b3lyp_6-31g(d).nwchem.inp (generated) 045272648.b3lyp_6-31g(d).log.xz 045272648.mol 045272648.PUBCHEM 045272648.mol (via Jmol)
045273020.b3lyp_6-31g(d).inp

045273020.b3lyp_6-31g(d).qchem.inp (generated)

045273020.b3lyp_6-31g(d).gjf (generated)

045273020.b3lyp_6-31g(d).firefly.inp (generated)

045273020.b3lyp_6-31g(d).smash.inp (generated)

045273020.b3lyp_6-31g(d).nwchem.inp (generated) 045273020.b3lyp_6-31g(d).log.xz 045273020.td-b3lyp_6-31g+(d).inp 045273020.td-b3lyp_6-31g+(d).log.xz

045273020.td-b3lyp_6-31+g(d).qchem.inp (generated)

045273020.td-b3lyp_6-31+g(d).gjf (generated)

045273020.td-b3lyp_6-31+g(d).firefly.inp (generated)

045273020.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045273020.mol 045273020.PUBCHEM 045273020.mol (via Jmol)
045273032.b3lyp_6-31g(d).inp

045273032.b3lyp_6-31g(d).qchem.inp (generated)

045273032.b3lyp_6-31g(d).gjf (generated)

045273032.b3lyp_6-31g(d).firefly.inp (generated)

045273032.b3lyp_6-31g(d).smash.inp (generated)

045273032.b3lyp_6-31g(d).nwchem.inp (generated) 045273032.b3lyp_6-31g(d).log.xz 045273032.td-b3lyp_6-31g+(d).inp 045273032.td-b3lyp_6-31g+(d).log.xz

045273032.td-b3lyp_6-31+g(d).qchem.inp (generated)

045273032.td-b3lyp_6-31+g(d).gjf (generated)

045273032.td-b3lyp_6-31+g(d).firefly.inp (generated)

045273032.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045273032.mol 045273032.PUBCHEM 045273032.mol (via Jmol)
045273209.b3lyp_6-31g(d).inp

045273209.b3lyp_6-31g(d).qchem.inp (generated)

045273209.b3lyp_6-31g(d).gjf (generated)

045273209.b3lyp_6-31g(d).firefly.inp (generated)

045273209.b3lyp_6-31g(d).smash.inp (generated)

045273209.b3lyp_6-31g(d).nwchem.inp (generated) 045273209.b3lyp_6-31g(d).log.xz 045273209.td-b3lyp_6-31g+(d).inp 045273209.td-b3lyp_6-31g+(d).log.xz

045273209.td-b3lyp_6-31+g(d).qchem.inp (generated)

045273209.td-b3lyp_6-31+g(d).gjf (generated)

045273209.td-b3lyp_6-31+g(d).firefly.inp (generated)

045273209.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045273209.mol 045273209.PUBCHEM 045273209.mol (via Jmol)
045273314.b3lyp_6-31g(d).inp

045273314.b3lyp_6-31g(d).qchem.inp (generated)

045273314.b3lyp_6-31g(d).gjf (generated)

045273314.b3lyp_6-31g(d).firefly.inp (generated)

045273314.b3lyp_6-31g(d).smash.inp (generated)

045273314.b3lyp_6-31g(d).nwchem.inp (generated) 045273314.b3lyp_6-31g(d).log.xz 045273314.td-b3lyp_6-31g+(d).inp 045273314.td-b3lyp_6-31g+(d).log.xz

045273314.td-b3lyp_6-31+g(d).qchem.inp (generated)

045273314.td-b3lyp_6-31+g(d).gjf (generated)

045273314.td-b3lyp_6-31+g(d).firefly.inp (generated)

045273314.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045273314.mol 045273314.PUBCHEM 045273314.mol (via Jmol)
045273400.b3lyp_6-31g(d).inp

045273400.b3lyp_6-31g(d).qchem.inp (generated)

045273400.b3lyp_6-31g(d).gjf (generated)

045273400.b3lyp_6-31g(d).firefly.inp (generated)

045273400.b3lyp_6-31g(d).smash.inp (generated)

045273400.b3lyp_6-31g(d).nwchem.inp (generated) 045273400.b3lyp_6-31g(d).log.xz 045273400.td-b3lyp_6-31g+(d).inp 045273400.td-b3lyp_6-31g+(d).log.xz

045273400.td-b3lyp_6-31+g(d).qchem.inp (generated)

045273400.td-b3lyp_6-31+g(d).gjf (generated)

045273400.td-b3lyp_6-31+g(d).firefly.inp (generated)

045273400.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045273400.mol 045273400.PUBCHEM 045273400.mol (via Jmol)
045273409.b3lyp_6-31g(d).inp

045273409.b3lyp_6-31g(d).qchem.inp (generated)

045273409.b3lyp_6-31g(d).gjf (generated)

045273409.b3lyp_6-31g(d).firefly.inp (generated)

045273409.b3lyp_6-31g(d).smash.inp (generated)

045273409.b3lyp_6-31g(d).nwchem.inp (generated) 045273409.b3lyp_6-31g(d).log.xz 045273409.td-b3lyp_6-31g+(d).inp 045273409.td-b3lyp_6-31g+(d).log.xz

045273409.td-b3lyp_6-31+g(d).qchem.inp (generated)

045273409.td-b3lyp_6-31+g(d).gjf (generated)

045273409.td-b3lyp_6-31+g(d).firefly.inp (generated)

045273409.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045273409.mol 045273409.PUBCHEM 045273409.mol (via Jmol)
045273435.b3lyp_6-31g(d).inp

045273435.b3lyp_6-31g(d).qchem.inp (generated)

045273435.b3lyp_6-31g(d).gjf (generated)

045273435.b3lyp_6-31g(d).firefly.inp (generated)

045273435.b3lyp_6-31g(d).smash.inp (generated)

045273435.b3lyp_6-31g(d).nwchem.inp (generated) 045273435.b3lyp_6-31g(d).log.xz 045273435.td-b3lyp_6-31g+(d).inp 045273435.td-b3lyp_6-31g+(d).log.xz

045273435.td-b3lyp_6-31+g(d).qchem.inp (generated)

045273435.td-b3lyp_6-31+g(d).gjf (generated)

045273435.td-b3lyp_6-31+g(d).firefly.inp (generated)

045273435.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045273435.mol 045273435.PUBCHEM 045273435.mol (via Jmol)
045273459.b3lyp_6-31g(d).inp

045273459.b3lyp_6-31g(d).qchem.inp (generated)

045273459.b3lyp_6-31g(d).gjf (generated)

045273459.b3lyp_6-31g(d).firefly.inp (generated)

045273459.b3lyp_6-31g(d).smash.inp (generated)

045273459.b3lyp_6-31g(d).nwchem.inp (generated) 045273459.b3lyp_6-31g(d).log.xz 045273459.td-b3lyp_6-31g+(d).inp 045273459.td-b3lyp_6-31g+(d).log.xz

045273459.td-b3lyp_6-31+g(d).qchem.inp (generated)

045273459.td-b3lyp_6-31+g(d).gjf (generated)

045273459.td-b3lyp_6-31+g(d).firefly.inp (generated)

045273459.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045273459.mol 045273459.PUBCHEM 045273459.mol (via Jmol)
045273563.b3lyp_6-31g(d).inp

045273563.b3lyp_6-31g(d).qchem.inp (generated)

045273563.b3lyp_6-31g(d).gjf (generated)

045273563.b3lyp_6-31g(d).firefly.inp (generated)

045273563.b3lyp_6-31g(d).smash.inp (generated)

045273563.b3lyp_6-31g(d).nwchem.inp (generated) 045273563.b3lyp_6-31g(d).log.xz 045273563.td-b3lyp_6-31g+(d).inp 045273563.td-b3lyp_6-31g+(d).log.xz

045273563.td-b3lyp_6-31+g(d).qchem.inp (generated)

045273563.td-b3lyp_6-31+g(d).gjf (generated)

045273563.td-b3lyp_6-31+g(d).firefly.inp (generated)

045273563.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045273563.mol 045273563.PUBCHEM 045273563.mol (via Jmol)
045273569.b3lyp_6-31g(d).inp

045273569.b3lyp_6-31g(d).qchem.inp (generated)

045273569.b3lyp_6-31g(d).gjf (generated)

045273569.b3lyp_6-31g(d).firefly.inp (generated)

045273569.b3lyp_6-31g(d).smash.inp (generated)

045273569.b3lyp_6-31g(d).nwchem.inp (generated) 045273569.b3lyp_6-31g(d).log.xz 045273569.mol 045273569.PUBCHEM 045273569.mol (via Jmol)
045273824.b3lyp_6-31g(d).inp

045273824.b3lyp_6-31g(d).qchem.inp (generated)

045273824.b3lyp_6-31g(d).gjf (generated)

045273824.b3lyp_6-31g(d).firefly.inp (generated)

045273824.b3lyp_6-31g(d).smash.inp (generated)

045273824.b3lyp_6-31g(d).nwchem.inp (generated) 045273824.b3lyp_6-31g(d).log.xz 045273824.td-b3lyp_6-31g+(d).inp 045273824.td-b3lyp_6-31g+(d).log.xz

045273824.td-b3lyp_6-31+g(d).qchem.inp (generated)

045273824.td-b3lyp_6-31+g(d).gjf (generated)

045273824.td-b3lyp_6-31+g(d).firefly.inp (generated)

045273824.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045273824.mol 045273824.PUBCHEM 045273824.mol (via Jmol)
045273825.b3lyp_6-31g(d).inp

045273825.b3lyp_6-31g(d).qchem.inp (generated)

045273825.b3lyp_6-31g(d).gjf (generated)

045273825.b3lyp_6-31g(d).firefly.inp (generated)

045273825.b3lyp_6-31g(d).smash.inp (generated)

045273825.b3lyp_6-31g(d).nwchem.inp (generated) 045273825.b3lyp_6-31g(d).log.xz 045273825.td-b3lyp_6-31g+(d).inp 045273825.td-b3lyp_6-31g+(d).log.xz

045273825.td-b3lyp_6-31+g(d).qchem.inp (generated)

045273825.td-b3lyp_6-31+g(d).gjf (generated)

045273825.td-b3lyp_6-31+g(d).firefly.inp (generated)

045273825.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045273825.mol 045273825.PUBCHEM 045273825.mol (via Jmol)
045273950.b3lyp_6-31g(d).inp

045273950.b3lyp_6-31g(d).qchem.inp (generated)

045273950.b3lyp_6-31g(d).gjf (generated)

045273950.b3lyp_6-31g(d).firefly.inp (generated)

045273950.b3lyp_6-31g(d).smash.inp (generated)

045273950.b3lyp_6-31g(d).nwchem.inp (generated) 045273950.b3lyp_6-31g(d).log.xz 045273950.td-b3lyp_6-31g+(d).inp 045273950.td-b3lyp_6-31g+(d).log.xz

045273950.td-b3lyp_6-31+g(d).qchem.inp (generated)

045273950.td-b3lyp_6-31+g(d).gjf (generated)

045273950.td-b3lyp_6-31+g(d).firefly.inp (generated)

045273950.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045273950.mol 045273950.PUBCHEM 045273950.mol (via Jmol)
045273961.b3lyp_6-31g(d).inp

045273961.b3lyp_6-31g(d).qchem.inp (generated)

045273961.b3lyp_6-31g(d).gjf (generated)

045273961.b3lyp_6-31g(d).firefly.inp (generated)

045273961.b3lyp_6-31g(d).smash.inp (generated)

045273961.b3lyp_6-31g(d).nwchem.inp (generated) 045273961.b3lyp_6-31g(d).log.xz 045273961.td-b3lyp_6-31g+(d).inp 045273961.td-b3lyp_6-31g+(d).log.xz

045273961.td-b3lyp_6-31+g(d).qchem.inp (generated)

045273961.td-b3lyp_6-31+g(d).gjf (generated)

045273961.td-b3lyp_6-31+g(d).firefly.inp (generated)

045273961.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045273961.mol 045273961.PUBCHEM 045273961.mol (via Jmol)
045273973.b3lyp_6-31g(d).inp

045273973.b3lyp_6-31g(d).qchem.inp (generated)

045273973.b3lyp_6-31g(d).gjf (generated)

045273973.b3lyp_6-31g(d).firefly.inp (generated)

045273973.b3lyp_6-31g(d).smash.inp (generated)

045273973.b3lyp_6-31g(d).nwchem.inp (generated) 045273973.b3lyp_6-31g(d).log.xz 045273973.td-b3lyp_6-31g+(d).inp 045273973.td-b3lyp_6-31g+(d).log.xz

045273973.td-b3lyp_6-31+g(d).qchem.inp (generated)

045273973.td-b3lyp_6-31+g(d).gjf (generated)

045273973.td-b3lyp_6-31+g(d).firefly.inp (generated)

045273973.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045273973.mol 045273973.PUBCHEM 045273973.mol (via Jmol)
045273974.b3lyp_6-31g(d).inp

045273974.b3lyp_6-31g(d).qchem.inp (generated)

045273974.b3lyp_6-31g(d).gjf (generated)

045273974.b3lyp_6-31g(d).firefly.inp (generated)

045273974.b3lyp_6-31g(d).smash.inp (generated)

045273974.b3lyp_6-31g(d).nwchem.inp (generated) 045273974.b3lyp_6-31g(d).log.xz 045273974.td-b3lyp_6-31g+(d).inp 045273974.td-b3lyp_6-31g+(d).log.xz

045273974.td-b3lyp_6-31+g(d).qchem.inp (generated)

045273974.td-b3lyp_6-31+g(d).gjf (generated)

045273974.td-b3lyp_6-31+g(d).firefly.inp (generated)

045273974.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045273974.mol 045273974.PUBCHEM 045273974.mol (via Jmol)
045273976.b3lyp_6-31g(d).inp

045273976.b3lyp_6-31g(d).qchem.inp (generated)

045273976.b3lyp_6-31g(d).gjf (generated)

045273976.b3lyp_6-31g(d).firefly.inp (generated)

045273976.b3lyp_6-31g(d).smash.inp (generated)

045273976.b3lyp_6-31g(d).nwchem.inp (generated) 045273976.b3lyp_6-31g(d).log.xz 045273976.td-b3lyp_6-31g+(d).inp 045273976.td-b3lyp_6-31g+(d).log.xz

045273976.td-b3lyp_6-31+g(d).qchem.inp (generated)

045273976.td-b3lyp_6-31+g(d).gjf (generated)

045273976.td-b3lyp_6-31+g(d).firefly.inp (generated)

045273976.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045273976.mol 045273976.PUBCHEM 045273976.mol (via Jmol)
045273977.b3lyp_6-31g(d).inp

045273977.b3lyp_6-31g(d).qchem.inp (generated)

045273977.b3lyp_6-31g(d).gjf (generated)

045273977.b3lyp_6-31g(d).firefly.inp (generated)

045273977.b3lyp_6-31g(d).smash.inp (generated)

045273977.b3lyp_6-31g(d).nwchem.inp (generated) 045273977.b3lyp_6-31g(d).log.xz 045273977.td-b3lyp_6-31g+(d).inp 045273977.td-b3lyp_6-31g+(d).log.xz

045273977.td-b3lyp_6-31+g(d).qchem.inp (generated)

045273977.td-b3lyp_6-31+g(d).gjf (generated)

045273977.td-b3lyp_6-31+g(d).firefly.inp (generated)

045273977.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045273977.mol 045273977.PUBCHEM 045273977.mol (via Jmol)
045273978.b3lyp_6-31g(d).inp

045273978.b3lyp_6-31g(d).qchem.inp (generated)

045273978.b3lyp_6-31g(d).gjf (generated)

045273978.b3lyp_6-31g(d).firefly.inp (generated)

045273978.b3lyp_6-31g(d).smash.inp (generated)

045273978.b3lyp_6-31g(d).nwchem.inp (generated) 045273978.b3lyp_6-31g(d).log.xz 045273978.td-b3lyp_6-31g+(d).inp 045273978.td-b3lyp_6-31g+(d).log.xz

045273978.td-b3lyp_6-31+g(d).qchem.inp (generated)

045273978.td-b3lyp_6-31+g(d).gjf (generated)

045273978.td-b3lyp_6-31+g(d).firefly.inp (generated)

045273978.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045273978.mol 045273978.PUBCHEM 045273978.mol (via Jmol)
045274041.b3lyp_6-31g(d).inp

045274041.b3lyp_6-31g(d).qchem.inp (generated)

045274041.b3lyp_6-31g(d).gjf (generated)

045274041.b3lyp_6-31g(d).firefly.inp (generated)

045274041.b3lyp_6-31g(d).smash.inp (generated)

045274041.b3lyp_6-31g(d).nwchem.inp (generated) 045274041.b3lyp_6-31g(d).log.xz 045274041.td-b3lyp_6-31g+(d).inp 045274041.td-b3lyp_6-31g+(d).log.xz

045274041.td-b3lyp_6-31+g(d).qchem.inp (generated)

045274041.td-b3lyp_6-31+g(d).gjf (generated)

045274041.td-b3lyp_6-31+g(d).firefly.inp (generated)

045274041.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045274041.mol 045274041.PUBCHEM 045274041.mol (via Jmol)
045274046.b3lyp_6-31g(d).inp

045274046.b3lyp_6-31g(d).qchem.inp (generated)

045274046.b3lyp_6-31g(d).gjf (generated)

045274046.b3lyp_6-31g(d).firefly.inp (generated)

045274046.b3lyp_6-31g(d).smash.inp (generated)

045274046.b3lyp_6-31g(d).nwchem.inp (generated) 045274046.b3lyp_6-31g(d).log.xz 045274046.td-b3lyp_6-31g+(d).inp 045274046.td-b3lyp_6-31g+(d).log.xz

045274046.td-b3lyp_6-31+g(d).qchem.inp (generated)

045274046.td-b3lyp_6-31+g(d).gjf (generated)

045274046.td-b3lyp_6-31+g(d).firefly.inp (generated)

045274046.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045274046.mol 045274046.PUBCHEM 045274046.mol (via Jmol)
045274048.b3lyp_6-31g(d).inp

045274048.b3lyp_6-31g(d).qchem.inp (generated)

045274048.b3lyp_6-31g(d).gjf (generated)

045274048.b3lyp_6-31g(d).firefly.inp (generated)

045274048.b3lyp_6-31g(d).smash.inp (generated)

045274048.b3lyp_6-31g(d).nwchem.inp (generated) 045274048.b3lyp_6-31g(d).log.xz 045274048.td-b3lyp_6-31g+(d).inp 045274048.td-b3lyp_6-31g+(d).log.xz

045274048.td-b3lyp_6-31+g(d).qchem.inp (generated)

045274048.td-b3lyp_6-31+g(d).gjf (generated)

045274048.td-b3lyp_6-31+g(d).firefly.inp (generated)

045274048.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045274048.mol 045274048.PUBCHEM 045274048.mol (via Jmol)
045274361.b3lyp_6-31g(d).inp

045274361.b3lyp_6-31g(d).qchem.inp (generated)

045274361.b3lyp_6-31g(d).gjf (generated)

045274361.b3lyp_6-31g(d).firefly.inp (generated)

045274361.b3lyp_6-31g(d).smash.inp (generated)

045274361.b3lyp_6-31g(d).nwchem.inp (generated) 045274361.b3lyp_6-31g(d).log.xz 045274361.td-b3lyp_6-31g+(d).inp 045274361.td-b3lyp_6-31g+(d).log.xz

045274361.td-b3lyp_6-31+g(d).qchem.inp (generated)

045274361.td-b3lyp_6-31+g(d).gjf (generated)

045274361.td-b3lyp_6-31+g(d).firefly.inp (generated)

045274361.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045274361.mol 045274361.PUBCHEM 045274361.mol (via Jmol)
045274362.b3lyp_6-31g(d).inp

045274362.b3lyp_6-31g(d).qchem.inp (generated)

045274362.b3lyp_6-31g(d).gjf (generated)

045274362.b3lyp_6-31g(d).firefly.inp (generated)

045274362.b3lyp_6-31g(d).smash.inp (generated)

045274362.b3lyp_6-31g(d).nwchem.inp (generated) 045274362.b3lyp_6-31g(d).log.xz 045274362.td-b3lyp_6-31g+(d).inp 045274362.td-b3lyp_6-31g+(d).log.xz

045274362.td-b3lyp_6-31+g(d).qchem.inp (generated)

045274362.td-b3lyp_6-31+g(d).gjf (generated)

045274362.td-b3lyp_6-31+g(d).firefly.inp (generated)

045274362.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045274362.mol 045274362.PUBCHEM 045274362.mol (via Jmol)
045274530.b3lyp_6-31g(d).inp

045274530.b3lyp_6-31g(d).qchem.inp (generated)

045274530.b3lyp_6-31g(d).gjf (generated)

045274530.b3lyp_6-31g(d).firefly.inp (generated)

045274530.b3lyp_6-31g(d).smash.inp (generated)

045274530.b3lyp_6-31g(d).nwchem.inp (generated) 045274530.b3lyp_6-31g(d).log.xz 045274530.td-b3lyp_6-31g+(d).inp 045274530.td-b3lyp_6-31g+(d).log.xz

045274530.td-b3lyp_6-31+g(d).qchem.inp (generated)

045274530.td-b3lyp_6-31+g(d).gjf (generated)

045274530.td-b3lyp_6-31+g(d).firefly.inp (generated)

045274530.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045274530.mol 045274530.PUBCHEM 045274530.mol (via Jmol)
045274533.b3lyp_6-31g(d).inp

045274533.b3lyp_6-31g(d).qchem.inp (generated)

045274533.b3lyp_6-31g(d).gjf (generated)

045274533.b3lyp_6-31g(d).firefly.inp (generated)

045274533.b3lyp_6-31g(d).smash.inp (generated)

045274533.b3lyp_6-31g(d).nwchem.inp (generated) 045274533.b3lyp_6-31g(d).log.xz 045274533.td-b3lyp_6-31g+(d).inp 045274533.td-b3lyp_6-31g+(d).log.xz

045274533.td-b3lyp_6-31+g(d).qchem.inp (generated)

045274533.td-b3lyp_6-31+g(d).gjf (generated)

045274533.td-b3lyp_6-31+g(d).firefly.inp (generated)

045274533.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045274533.mol 045274533.PUBCHEM 045274533.mol (via Jmol)
045274534.b3lyp_6-31g(d).inp

045274534.b3lyp_6-31g(d).qchem.inp (generated)

045274534.b3lyp_6-31g(d).gjf (generated)

045274534.b3lyp_6-31g(d).firefly.inp (generated)

045274534.b3lyp_6-31g(d).smash.inp (generated)

045274534.b3lyp_6-31g(d).nwchem.inp (generated) 045274534.b3lyp_6-31g(d).log.xz 045274534.mol 045274534.PUBCHEM 045274534.mol (via Jmol)
045274535.b3lyp_6-31g(d).inp

045274535.b3lyp_6-31g(d).qchem.inp (generated)

045274535.b3lyp_6-31g(d).gjf (generated)

045274535.b3lyp_6-31g(d).firefly.inp (generated)

045274535.b3lyp_6-31g(d).smash.inp (generated)

045274535.b3lyp_6-31g(d).nwchem.inp (generated) 045274535.b3lyp_6-31g(d).log.xz 045274535.mol 045274535.PUBCHEM 045274535.mol (via Jmol)
045274537.b3lyp_6-31g(d).inp

045274537.b3lyp_6-31g(d).qchem.inp (generated)

045274537.b3lyp_6-31g(d).gjf (generated)

045274537.b3lyp_6-31g(d).firefly.inp (generated)

045274537.b3lyp_6-31g(d).smash.inp (generated)

045274537.b3lyp_6-31g(d).nwchem.inp (generated) 045274537.b3lyp_6-31g(d).log.xz 045274537.td-b3lyp_6-31g+(d).inp 045274537.td-b3lyp_6-31g+(d).log.xz

045274537.td-b3lyp_6-31+g(d).qchem.inp (generated)

045274537.td-b3lyp_6-31+g(d).gjf (generated)

045274537.td-b3lyp_6-31+g(d).firefly.inp (generated)

045274537.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045274537.mol 045274537.PUBCHEM 045274537.mol (via Jmol)
045274538.b3lyp_6-31g(d).inp

045274538.b3lyp_6-31g(d).qchem.inp (generated)

045274538.b3lyp_6-31g(d).gjf (generated)

045274538.b3lyp_6-31g(d).firefly.inp (generated)

045274538.b3lyp_6-31g(d).smash.inp (generated)

045274538.b3lyp_6-31g(d).nwchem.inp (generated) 045274538.b3lyp_6-31g(d).log.xz 045274538.td-b3lyp_6-31g+(d).inp 045274538.td-b3lyp_6-31g+(d).log.xz

045274538.td-b3lyp_6-31+g(d).qchem.inp (generated)

045274538.td-b3lyp_6-31+g(d).gjf (generated)

045274538.td-b3lyp_6-31+g(d).firefly.inp (generated)

045274538.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045274538.mol 045274538.PUBCHEM 045274538.mol (via Jmol)
045274689.b3lyp_6-31g(d).inp

045274689.b3lyp_6-31g(d).qchem.inp (generated)

045274689.b3lyp_6-31g(d).gjf (generated)

045274689.b3lyp_6-31g(d).firefly.inp (generated)

045274689.b3lyp_6-31g(d).smash.inp (generated)

045274689.b3lyp_6-31g(d).nwchem.inp (generated) 045274689.b3lyp_6-31g(d).log.xz 045274689.td-b3lyp_6-31g+(d).inp 045274689.td-b3lyp_6-31g+(d).log.xz

045274689.td-b3lyp_6-31+g(d).qchem.inp (generated)

045274689.td-b3lyp_6-31+g(d).gjf (generated)

045274689.td-b3lyp_6-31+g(d).firefly.inp (generated)

045274689.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045274689.mol 045274689.PUBCHEM 045274689.mol (via Jmol)
045274782.b3lyp_6-31g(d).inp

045274782.b3lyp_6-31g(d).qchem.inp (generated)

045274782.b3lyp_6-31g(d).gjf (generated)

045274782.b3lyp_6-31g(d).firefly.inp (generated)

045274782.b3lyp_6-31g(d).smash.inp (generated)

045274782.b3lyp_6-31g(d).nwchem.inp (generated) 045274782.b3lyp_6-31g(d).log.xz 045274782.mol 045274782.PUBCHEM 045274782.mol (via Jmol)
045274783.b3lyp_6-31g(d).inp

045274783.b3lyp_6-31g(d).qchem.inp (generated)

045274783.b3lyp_6-31g(d).gjf (generated)

045274783.b3lyp_6-31g(d).firefly.inp (generated)

045274783.b3lyp_6-31g(d).smash.inp (generated)

045274783.b3lyp_6-31g(d).nwchem.inp (generated) 045274783.b3lyp_6-31g(d).log.xz 045274783.mol 045274783.PUBCHEM 045274783.mol (via Jmol)
045274790.b3lyp_6-31g(d).inp

045274790.b3lyp_6-31g(d).qchem.inp (generated)

045274790.b3lyp_6-31g(d).gjf (generated)

045274790.b3lyp_6-31g(d).firefly.inp (generated)

045274790.b3lyp_6-31g(d).smash.inp (generated)

045274790.b3lyp_6-31g(d).nwchem.inp (generated) 045274790.b3lyp_6-31g(d).log.xz 045274790.td-b3lyp_6-31g+(d).inp 045274790.td-b3lyp_6-31g+(d).log.xz

045274790.td-b3lyp_6-31+g(d).qchem.inp (generated)

045274790.td-b3lyp_6-31+g(d).gjf (generated)

045274790.td-b3lyp_6-31+g(d).firefly.inp (generated)

045274790.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045274790.mol 045274790.PUBCHEM 045274790.mol (via Jmol)
045274794.b3lyp_6-31g(d).inp

045274794.b3lyp_6-31g(d).qchem.inp (generated)

045274794.b3lyp_6-31g(d).gjf (generated)

045274794.b3lyp_6-31g(d).firefly.inp (generated)

045274794.b3lyp_6-31g(d).smash.inp (generated)

045274794.b3lyp_6-31g(d).nwchem.inp (generated) 045274794.b3lyp_6-31g(d).log.xz 045274794.td-b3lyp_6-31g+(d).inp 045274794.td-b3lyp_6-31g+(d).log.xz

045274794.td-b3lyp_6-31+g(d).qchem.inp (generated)

045274794.td-b3lyp_6-31+g(d).gjf (generated)

045274794.td-b3lyp_6-31+g(d).firefly.inp (generated)

045274794.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045274794.mol 045274794.PUBCHEM 045274794.mol (via Jmol)
045274795.b3lyp_6-31g(d).inp

045274795.b3lyp_6-31g(d).qchem.inp (generated)

045274795.b3lyp_6-31g(d).gjf (generated)

045274795.b3lyp_6-31g(d).firefly.inp (generated)

045274795.b3lyp_6-31g(d).smash.inp (generated)

045274795.b3lyp_6-31g(d).nwchem.inp (generated) 045274795.b3lyp_6-31g(d).log.xz 045274795.td-b3lyp_6-31g+(d).inp 045274795.td-b3lyp_6-31g+(d).log.xz

045274795.td-b3lyp_6-31+g(d).qchem.inp (generated)

045274795.td-b3lyp_6-31+g(d).gjf (generated)

045274795.td-b3lyp_6-31+g(d).firefly.inp (generated)

045274795.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045274795.mol 045274795.PUBCHEM 045274795.mol (via Jmol)
045274796.b3lyp_6-31g(d).inp

045274796.b3lyp_6-31g(d).qchem.inp (generated)

045274796.b3lyp_6-31g(d).gjf (generated)

045274796.b3lyp_6-31g(d).firefly.inp (generated)

045274796.b3lyp_6-31g(d).smash.inp (generated)

045274796.b3lyp_6-31g(d).nwchem.inp (generated) 045274796.b3lyp_6-31g(d).log.xz 045274796.td-b3lyp_6-31g+(d).inp 045274796.td-b3lyp_6-31g+(d).log.xz

045274796.td-b3lyp_6-31+g(d).qchem.inp (generated)

045274796.td-b3lyp_6-31+g(d).gjf (generated)

045274796.td-b3lyp_6-31+g(d).firefly.inp (generated)

045274796.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045274796.mol 045274796.PUBCHEM 045274796.mol (via Jmol)
045274812.b3lyp_6-31g(d).inp

045274812.b3lyp_6-31g(d).qchem.inp (generated)

045274812.b3lyp_6-31g(d).gjf (generated)

045274812.b3lyp_6-31g(d).firefly.inp (generated)

045274812.b3lyp_6-31g(d).smash.inp (generated)

045274812.b3lyp_6-31g(d).nwchem.inp (generated) 045274812.b3lyp_6-31g(d).log.xz 045274812.mol 045274812.PUBCHEM 045274812.mol (via Jmol)
045274813.b3lyp_6-31g(d).inp

045274813.b3lyp_6-31g(d).qchem.inp (generated)

045274813.b3lyp_6-31g(d).gjf (generated)

045274813.b3lyp_6-31g(d).firefly.inp (generated)

045274813.b3lyp_6-31g(d).smash.inp (generated)

045274813.b3lyp_6-31g(d).nwchem.inp (generated) 045274813.b3lyp_6-31g(d).log.xz 045274813.td-b3lyp_6-31g+(d).inp 045274813.td-b3lyp_6-31g+(d).log.xz

045274813.td-b3lyp_6-31+g(d).qchem.inp (generated)

045274813.td-b3lyp_6-31+g(d).gjf (generated)

045274813.td-b3lyp_6-31+g(d).firefly.inp (generated)

045274813.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045274813.mol 045274813.PUBCHEM 045274813.mol (via Jmol)
045274891.b3lyp_6-31g(d).inp

045274891.b3lyp_6-31g(d).qchem.inp (generated)

045274891.b3lyp_6-31g(d).gjf (generated)

045274891.b3lyp_6-31g(d).firefly.inp (generated)

045274891.b3lyp_6-31g(d).smash.inp (generated)

045274891.b3lyp_6-31g(d).nwchem.inp (generated) 045274891.b3lyp_6-31g(d).log.xz 045274891.td-b3lyp_6-31g+(d).inp 045274891.td-b3lyp_6-31g+(d).log.xz

045274891.td-b3lyp_6-31+g(d).qchem.inp (generated)

045274891.td-b3lyp_6-31+g(d).gjf (generated)

045274891.td-b3lyp_6-31+g(d).firefly.inp (generated)

045274891.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045274891.mol 045274891.PUBCHEM 045274891.mol (via Jmol)
045274902.b3lyp_6-31g(d).inp

045274902.b3lyp_6-31g(d).qchem.inp (generated)

045274902.b3lyp_6-31g(d).gjf (generated)

045274902.b3lyp_6-31g(d).firefly.inp (generated)

045274902.b3lyp_6-31g(d).smash.inp (generated)

045274902.b3lyp_6-31g(d).nwchem.inp (generated) 045274902.b3lyp_6-31g(d).log.xz 045274902.td-b3lyp_6-31g+(d).inp 045274902.td-b3lyp_6-31g+(d).log.xz

045274902.td-b3lyp_6-31+g(d).qchem.inp (generated)

045274902.td-b3lyp_6-31+g(d).gjf (generated)

045274902.td-b3lyp_6-31+g(d).firefly.inp (generated)

045274902.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045274902.mol 045274902.PUBCHEM 045274902.mol (via Jmol)
045274909.b3lyp_6-31g(d).inp

045274909.b3lyp_6-31g(d).qchem.inp (generated)

045274909.b3lyp_6-31g(d).gjf (generated)

045274909.b3lyp_6-31g(d).firefly.inp (generated)

045274909.b3lyp_6-31g(d).smash.inp (generated)

045274909.b3lyp_6-31g(d).nwchem.inp (generated) 045274909.b3lyp_6-31g(d).log.xz 045274909.mol 045274909.PUBCHEM 045274909.mol (via Jmol)
045274923.b3lyp_6-31g(d).inp

045274923.b3lyp_6-31g(d).qchem.inp (generated)

045274923.b3lyp_6-31g(d).gjf (generated)

045274923.b3lyp_6-31g(d).firefly.inp (generated)

045274923.b3lyp_6-31g(d).smash.inp (generated)

045274923.b3lyp_6-31g(d).nwchem.inp (generated) 045274923.b3lyp_6-31g(d).log.xz 045274923.td-b3lyp_6-31g+(d).inp 045274923.td-b3lyp_6-31g+(d).log.xz

045274923.td-b3lyp_6-31+g(d).qchem.inp (generated)

045274923.td-b3lyp_6-31+g(d).gjf (generated)

045274923.td-b3lyp_6-31+g(d).firefly.inp (generated)

045274923.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045274923.mol 045274923.PUBCHEM 045274923.mol (via Jmol)
045274957.b3lyp_6-31g(d).inp

045274957.b3lyp_6-31g(d).qchem.inp (generated)

045274957.b3lyp_6-31g(d).gjf (generated)

045274957.b3lyp_6-31g(d).firefly.inp (generated)

045274957.b3lyp_6-31g(d).smash.inp (generated)

045274957.b3lyp_6-31g(d).nwchem.inp (generated) 045274957.b3lyp_6-31g(d).log.xz 045274957.td-b3lyp_6-31g+(d).inp 045274957.td-b3lyp_6-31g+(d).log.xz

045274957.td-b3lyp_6-31+g(d).qchem.inp (generated)

045274957.td-b3lyp_6-31+g(d).gjf (generated)

045274957.td-b3lyp_6-31+g(d).firefly.inp (generated)

045274957.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045274957.mol 045274957.PUBCHEM 045274957.mol (via Jmol)
045274958.b3lyp_6-31g(d).inp

045274958.b3lyp_6-31g(d).qchem.inp (generated)

045274958.b3lyp_6-31g(d).gjf (generated)

045274958.b3lyp_6-31g(d).firefly.inp (generated)

045274958.b3lyp_6-31g(d).smash.inp (generated)

045274958.b3lyp_6-31g(d).nwchem.inp (generated) 045274958.b3lyp_6-31g(d).log.xz 045274958.td-b3lyp_6-31g+(d).inp 045274958.td-b3lyp_6-31g+(d).log.xz

045274958.td-b3lyp_6-31+g(d).qchem.inp (generated)

045274958.td-b3lyp_6-31+g(d).gjf (generated)

045274958.td-b3lyp_6-31+g(d).firefly.inp (generated)

045274958.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045274958.mol 045274958.PUBCHEM 045274958.mol (via Jmol)
045274959.b3lyp_6-31g(d).inp

045274959.b3lyp_6-31g(d).qchem.inp (generated)

045274959.b3lyp_6-31g(d).gjf (generated)

045274959.b3lyp_6-31g(d).firefly.inp (generated)

045274959.b3lyp_6-31g(d).smash.inp (generated)

045274959.b3lyp_6-31g(d).nwchem.inp (generated) 045274959.b3lyp_6-31g(d).log.xz 045274959.td-b3lyp_6-31g+(d).inp 045274959.td-b3lyp_6-31g+(d).log.xz

045274959.td-b3lyp_6-31+g(d).qchem.inp (generated)

045274959.td-b3lyp_6-31+g(d).gjf (generated)

045274959.td-b3lyp_6-31+g(d).firefly.inp (generated)

045274959.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045274959.mol 045274959.PUBCHEM 045274959.mol (via Jmol)
045274960.b3lyp_6-31g(d).inp

045274960.b3lyp_6-31g(d).qchem.inp (generated)

045274960.b3lyp_6-31g(d).gjf (generated)

045274960.b3lyp_6-31g(d).firefly.inp (generated)

045274960.b3lyp_6-31g(d).smash.inp (generated)

045274960.b3lyp_6-31g(d).nwchem.inp (generated) 045274960.b3lyp_6-31g(d).log.xz 045274960.td-b3lyp_6-31g+(d).inp 045274960.td-b3lyp_6-31g+(d).log.xz

045274960.td-b3lyp_6-31+g(d).qchem.inp (generated)

045274960.td-b3lyp_6-31+g(d).gjf (generated)

045274960.td-b3lyp_6-31+g(d).firefly.inp (generated)

045274960.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045274960.mol 045274960.PUBCHEM 045274960.mol (via Jmol)
045274961.b3lyp_6-31g(d).inp

045274961.b3lyp_6-31g(d).qchem.inp (generated)

045274961.b3lyp_6-31g(d).gjf (generated)

045274961.b3lyp_6-31g(d).firefly.inp (generated)

045274961.b3lyp_6-31g(d).smash.inp (generated)

045274961.b3lyp_6-31g(d).nwchem.inp (generated) 045274961.b3lyp_6-31g(d).log.xz 045274961.td-b3lyp_6-31g+(d).inp 045274961.td-b3lyp_6-31g+(d).log.xz

045274961.td-b3lyp_6-31+g(d).qchem.inp (generated)

045274961.td-b3lyp_6-31+g(d).gjf (generated)

045274961.td-b3lyp_6-31+g(d).firefly.inp (generated)

045274961.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045274961.mol 045274961.PUBCHEM 045274961.mol (via Jmol)
045274962.b3lyp_6-31g(d).inp

045274962.b3lyp_6-31g(d).qchem.inp (generated)

045274962.b3lyp_6-31g(d).gjf (generated)

045274962.b3lyp_6-31g(d).firefly.inp (generated)

045274962.b3lyp_6-31g(d).smash.inp (generated)

045274962.b3lyp_6-31g(d).nwchem.inp (generated) 045274962.b3lyp_6-31g(d).log.xz 045274962.td-b3lyp_6-31g+(d).inp 045274962.td-b3lyp_6-31g+(d).log.xz

045274962.td-b3lyp_6-31+g(d).qchem.inp (generated)

045274962.td-b3lyp_6-31+g(d).gjf (generated)

045274962.td-b3lyp_6-31+g(d).firefly.inp (generated)

045274962.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045274962.mol 045274962.PUBCHEM 045274962.mol (via Jmol)


maho@riken.jp/maho.nakata@gmail.com