Index of

Last updated : Thu Apr 20 01:52:35 JST 2017
Total : 119 (94) in this page
052800067.b3lyp_6-31g(d).inp

052800067.b3lyp_6-31g(d).qchem.inp (generated)

052800067.b3lyp_6-31g(d).gjf (generated)

052800067.b3lyp_6-31g(d).firefly.inp (generated)

052800067.b3lyp_6-31g(d).smash.inp (generated)

052800067.b3lyp_6-31g(d).nwchem.inp (generated) 052800067.b3lyp_6-31g(d).log.xz 052800067.mol 052800067.PUBCHEM 052800067.mol (via Jmol)
052800068.b3lyp_6-31g(d).inp

052800068.b3lyp_6-31g(d).qchem.inp (generated)

052800068.b3lyp_6-31g(d).gjf (generated)

052800068.b3lyp_6-31g(d).firefly.inp (generated)

052800068.b3lyp_6-31g(d).smash.inp (generated)

052800068.b3lyp_6-31g(d).nwchem.inp (generated) 052800068.b3lyp_6-31g(d).log.xz 052800068.mol 052800068.PUBCHEM 052800068.mol (via Jmol)
052800093.b3lyp_6-31g(d).inp

052800093.b3lyp_6-31g(d).qchem.inp (generated)

052800093.b3lyp_6-31g(d).gjf (generated)

052800093.b3lyp_6-31g(d).firefly.inp (generated)

052800093.b3lyp_6-31g(d).smash.inp (generated)

052800093.b3lyp_6-31g(d).nwchem.inp (generated) 052800093.b3lyp_6-31g(d).log.xz 052800093.td-b3lyp_6-31g+(d).inp 052800093.td-b3lyp_6-31g+(d).log.xz

052800093.td-b3lyp_6-31+g(d).qchem.inp (generated)

052800093.td-b3lyp_6-31+g(d).gjf (generated)

052800093.td-b3lyp_6-31+g(d).firefly.inp (generated)

052800093.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052800093.mol 052800093.PUBCHEM 052800093.mol (via Jmol)
052800094.b3lyp_6-31g(d).inp

052800094.b3lyp_6-31g(d).qchem.inp (generated)

052800094.b3lyp_6-31g(d).gjf (generated)

052800094.b3lyp_6-31g(d).firefly.inp (generated)

052800094.b3lyp_6-31g(d).smash.inp (generated)

052800094.b3lyp_6-31g(d).nwchem.inp (generated) 052800094.b3lyp_6-31g(d).log.xz 052800094.td-b3lyp_6-31g+(d).inp 052800094.td-b3lyp_6-31g+(d).log.xz

052800094.td-b3lyp_6-31+g(d).qchem.inp (generated)

052800094.td-b3lyp_6-31+g(d).gjf (generated)

052800094.td-b3lyp_6-31+g(d).firefly.inp (generated)

052800094.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052800094.mol 052800094.PUBCHEM 052800094.mol (via Jmol)
052800095.b3lyp_6-31g(d).inp

052800095.b3lyp_6-31g(d).qchem.inp (generated)

052800095.b3lyp_6-31g(d).gjf (generated)

052800095.b3lyp_6-31g(d).firefly.inp (generated)

052800095.b3lyp_6-31g(d).smash.inp (generated)

052800095.b3lyp_6-31g(d).nwchem.inp (generated) 052800095.b3lyp_6-31g(d).log.xz 052800095.td-b3lyp_6-31g+(d).inp 052800095.td-b3lyp_6-31g+(d).log.xz

052800095.td-b3lyp_6-31+g(d).qchem.inp (generated)

052800095.td-b3lyp_6-31+g(d).gjf (generated)

052800095.td-b3lyp_6-31+g(d).firefly.inp (generated)

052800095.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052800095.mol 052800095.PUBCHEM 052800095.mol (via Jmol)
052800096.b3lyp_6-31g(d).inp

052800096.b3lyp_6-31g(d).qchem.inp (generated)

052800096.b3lyp_6-31g(d).gjf (generated)

052800096.b3lyp_6-31g(d).firefly.inp (generated)

052800096.b3lyp_6-31g(d).smash.inp (generated)

052800096.b3lyp_6-31g(d).nwchem.inp (generated) 052800096.b3lyp_6-31g(d).log.xz 052800096.td-b3lyp_6-31g+(d).inp 052800096.td-b3lyp_6-31g+(d).log.xz

052800096.td-b3lyp_6-31+g(d).qchem.inp (generated)

052800096.td-b3lyp_6-31+g(d).gjf (generated)

052800096.td-b3lyp_6-31+g(d).firefly.inp (generated)

052800096.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052800096.mol 052800096.PUBCHEM 052800096.mol (via Jmol)
052800338.b3lyp_6-31g(d).inp

052800338.b3lyp_6-31g(d).qchem.inp (generated)

052800338.b3lyp_6-31g(d).gjf (generated)

052800338.b3lyp_6-31g(d).firefly.inp (generated)

052800338.b3lyp_6-31g(d).smash.inp (generated)

052800338.b3lyp_6-31g(d).nwchem.inp (generated) 052800338.b3lyp_6-31g(d).log.xz 052800338.td-b3lyp_6-31g+(d).inp 052800338.td-b3lyp_6-31g+(d).log.xz

052800338.td-b3lyp_6-31+g(d).qchem.inp (generated)

052800338.td-b3lyp_6-31+g(d).gjf (generated)

052800338.td-b3lyp_6-31+g(d).firefly.inp (generated)

052800338.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052800338.mol 052800338.PUBCHEM 052800338.mol (via Jmol)
052800339.b3lyp_6-31g(d).inp

052800339.b3lyp_6-31g(d).qchem.inp (generated)

052800339.b3lyp_6-31g(d).gjf (generated)

052800339.b3lyp_6-31g(d).firefly.inp (generated)

052800339.b3lyp_6-31g(d).smash.inp (generated)

052800339.b3lyp_6-31g(d).nwchem.inp (generated) 052800339.b3lyp_6-31g(d).log.xz 052800339.mol 052800339.PUBCHEM 052800339.mol (via Jmol)
052800479.b3lyp_6-31g(d).inp

052800479.b3lyp_6-31g(d).qchem.inp (generated)

052800479.b3lyp_6-31g(d).gjf (generated)

052800479.b3lyp_6-31g(d).firefly.inp (generated)

052800479.b3lyp_6-31g(d).smash.inp (generated)

052800479.b3lyp_6-31g(d).nwchem.inp (generated) 052800479.b3lyp_6-31g(d).log.xz 052800479.td-b3lyp_6-31g+(d).inp 052800479.td-b3lyp_6-31g+(d).log.xz

052800479.td-b3lyp_6-31+g(d).qchem.inp (generated)

052800479.td-b3lyp_6-31+g(d).gjf (generated)

052800479.td-b3lyp_6-31+g(d).firefly.inp (generated)

052800479.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052800479.mol 052800479.PUBCHEM 052800479.mol (via Jmol)
052800480.b3lyp_6-31g(d).inp

052800480.b3lyp_6-31g(d).qchem.inp (generated)

052800480.b3lyp_6-31g(d).gjf (generated)

052800480.b3lyp_6-31g(d).firefly.inp (generated)

052800480.b3lyp_6-31g(d).smash.inp (generated)

052800480.b3lyp_6-31g(d).nwchem.inp (generated) 052800480.b3lyp_6-31g(d).log.xz 052800480.mol 052800480.PUBCHEM 052800480.mol (via Jmol)
052800481.b3lyp_6-31g(d).inp

052800481.b3lyp_6-31g(d).qchem.inp (generated)

052800481.b3lyp_6-31g(d).gjf (generated)

052800481.b3lyp_6-31g(d).firefly.inp (generated)

052800481.b3lyp_6-31g(d).smash.inp (generated)

052800481.b3lyp_6-31g(d).nwchem.inp (generated) 052800481.b3lyp_6-31g(d).log.xz 052800481.mol 052800481.PUBCHEM 052800481.mol (via Jmol)
052801023.b3lyp_6-31g(d).inp

052801023.b3lyp_6-31g(d).qchem.inp (generated)

052801023.b3lyp_6-31g(d).gjf (generated)

052801023.b3lyp_6-31g(d).firefly.inp (generated)

052801023.b3lyp_6-31g(d).smash.inp (generated)

052801023.b3lyp_6-31g(d).nwchem.inp (generated) 052801023.b3lyp_6-31g(d).log.xz 052801023.mol 052801023.PUBCHEM 052801023.mol (via Jmol)
052801043.b3lyp_6-31g(d).inp

052801043.b3lyp_6-31g(d).qchem.inp (generated)

052801043.b3lyp_6-31g(d).gjf (generated)

052801043.b3lyp_6-31g(d).firefly.inp (generated)

052801043.b3lyp_6-31g(d).smash.inp (generated)

052801043.b3lyp_6-31g(d).nwchem.inp (generated) 052801043.b3lyp_6-31g(d).log.xz 052801043.mol 052801043.PUBCHEM 052801043.mol (via Jmol)
052801224.b3lyp_6-31g(d).inp

052801224.b3lyp_6-31g(d).qchem.inp (generated)

052801224.b3lyp_6-31g(d).gjf (generated)

052801224.b3lyp_6-31g(d).firefly.inp (generated)

052801224.b3lyp_6-31g(d).smash.inp (generated)

052801224.b3lyp_6-31g(d).nwchem.inp (generated) 052801224.b3lyp_6-31g(d).log.xz 052801224.td-b3lyp_6-31g+(d).inp 052801224.td-b3lyp_6-31g+(d).log.xz

052801224.td-b3lyp_6-31+g(d).qchem.inp (generated)

052801224.td-b3lyp_6-31+g(d).gjf (generated)

052801224.td-b3lyp_6-31+g(d).firefly.inp (generated)

052801224.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052801224.mol 052801224.PUBCHEM 052801224.mol (via Jmol)
052801413.b3lyp_6-31g(d).inp

052801413.b3lyp_6-31g(d).qchem.inp (generated)

052801413.b3lyp_6-31g(d).gjf (generated)

052801413.b3lyp_6-31g(d).firefly.inp (generated)

052801413.b3lyp_6-31g(d).smash.inp (generated)

052801413.b3lyp_6-31g(d).nwchem.inp (generated) 052801413.b3lyp_6-31g(d).log.xz 052801413.td-b3lyp_6-31g+(d).inp 052801413.td-b3lyp_6-31g+(d).log.xz

052801413.td-b3lyp_6-31+g(d).qchem.inp (generated)

052801413.td-b3lyp_6-31+g(d).gjf (generated)

052801413.td-b3lyp_6-31+g(d).firefly.inp (generated)

052801413.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052801413.mol 052801413.PUBCHEM 052801413.mol (via Jmol)
052801414.b3lyp_6-31g(d).inp

052801414.b3lyp_6-31g(d).qchem.inp (generated)

052801414.b3lyp_6-31g(d).gjf (generated)

052801414.b3lyp_6-31g(d).firefly.inp (generated)

052801414.b3lyp_6-31g(d).smash.inp (generated)

052801414.b3lyp_6-31g(d).nwchem.inp (generated) 052801414.b3lyp_6-31g(d).log.xz 052801414.td-b3lyp_6-31g+(d).inp 052801414.td-b3lyp_6-31g+(d).log.xz

052801414.td-b3lyp_6-31+g(d).qchem.inp (generated)

052801414.td-b3lyp_6-31+g(d).gjf (generated)

052801414.td-b3lyp_6-31+g(d).firefly.inp (generated)

052801414.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052801414.mol 052801414.PUBCHEM 052801414.mol (via Jmol)
052801909.b3lyp_6-31g(d).inp

052801909.b3lyp_6-31g(d).qchem.inp (generated)

052801909.b3lyp_6-31g(d).gjf (generated)

052801909.b3lyp_6-31g(d).firefly.inp (generated)

052801909.b3lyp_6-31g(d).smash.inp (generated)

052801909.b3lyp_6-31g(d).nwchem.inp (generated) 052801909.b3lyp_6-31g(d).log.xz 052801909.mol 052801909.PUBCHEM 052801909.mol (via Jmol)
052802577.b3lyp_6-31g(d).inp

052802577.b3lyp_6-31g(d).qchem.inp (generated)

052802577.b3lyp_6-31g(d).gjf (generated)

052802577.b3lyp_6-31g(d).firefly.inp (generated)

052802577.b3lyp_6-31g(d).smash.inp (generated)

052802577.b3lyp_6-31g(d).nwchem.inp (generated) 052802577.b3lyp_6-31g(d).log.xz 052802577.td-b3lyp_6-31g+(d).inp 052802577.td-b3lyp_6-31g+(d).log.xz

052802577.td-b3lyp_6-31+g(d).qchem.inp (generated)

052802577.td-b3lyp_6-31+g(d).gjf (generated)

052802577.td-b3lyp_6-31+g(d).firefly.inp (generated)

052802577.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052802577.mol 052802577.PUBCHEM 052802577.mol (via Jmol)
052805605.b3lyp_6-31g(d).inp

052805605.b3lyp_6-31g(d).qchem.inp (generated)

052805605.b3lyp_6-31g(d).gjf (generated)

052805605.b3lyp_6-31g(d).firefly.inp (generated)

052805605.b3lyp_6-31g(d).smash.inp (generated)

052805605.b3lyp_6-31g(d).nwchem.inp (generated) 052805605.b3lyp_6-31g(d).log.xz 052805605.td-b3lyp_6-31g+(d).inp 052805605.td-b3lyp_6-31g+(d).log.xz

052805605.td-b3lyp_6-31+g(d).qchem.inp (generated)

052805605.td-b3lyp_6-31+g(d).gjf (generated)

052805605.td-b3lyp_6-31+g(d).firefly.inp (generated)

052805605.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052805605.mol 052805605.PUBCHEM 052805605.mol (via Jmol)
052806480.b3lyp_6-31g(d).inp

052806480.b3lyp_6-31g(d).qchem.inp (generated)

052806480.b3lyp_6-31g(d).gjf (generated)

052806480.b3lyp_6-31g(d).firefly.inp (generated)

052806480.b3lyp_6-31g(d).smash.inp (generated)

052806480.b3lyp_6-31g(d).nwchem.inp (generated) 052806480.b3lyp_6-31g(d).log.xz 052806480.td-b3lyp_6-31g+(d).inp 052806480.td-b3lyp_6-31g+(d).log.xz

052806480.td-b3lyp_6-31+g(d).qchem.inp (generated)

052806480.td-b3lyp_6-31+g(d).gjf (generated)

052806480.td-b3lyp_6-31+g(d).firefly.inp (generated)

052806480.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052806480.mol 052806480.PUBCHEM 052806480.mol (via Jmol)
052806482.b3lyp_6-31g(d).inp

052806482.b3lyp_6-31g(d).qchem.inp (generated)

052806482.b3lyp_6-31g(d).gjf (generated)

052806482.b3lyp_6-31g(d).firefly.inp (generated)

052806482.b3lyp_6-31g(d).smash.inp (generated)

052806482.b3lyp_6-31g(d).nwchem.inp (generated) 052806482.b3lyp_6-31g(d).log.xz 052806482.td-b3lyp_6-31g+(d).inp 052806482.td-b3lyp_6-31g+(d).log.xz

052806482.td-b3lyp_6-31+g(d).qchem.inp (generated)

052806482.td-b3lyp_6-31+g(d).gjf (generated)

052806482.td-b3lyp_6-31+g(d).firefly.inp (generated)

052806482.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052806482.mol 052806482.PUBCHEM 052806482.mol (via Jmol)
052807837.b3lyp_6-31g(d).inp

052807837.b3lyp_6-31g(d).qchem.inp (generated)

052807837.b3lyp_6-31g(d).gjf (generated)

052807837.b3lyp_6-31g(d).firefly.inp (generated)

052807837.b3lyp_6-31g(d).smash.inp (generated)

052807837.b3lyp_6-31g(d).nwchem.inp (generated) 052807837.b3lyp_6-31g(d).log.xz 052807837.td-b3lyp_6-31g+(d).inp 052807837.td-b3lyp_6-31g+(d).log.xz

052807837.td-b3lyp_6-31+g(d).qchem.inp (generated)

052807837.td-b3lyp_6-31+g(d).gjf (generated)

052807837.td-b3lyp_6-31+g(d).firefly.inp (generated)

052807837.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052807837.mol 052807837.PUBCHEM 052807837.mol (via Jmol)
052807845.b3lyp_6-31g(d).inp

052807845.b3lyp_6-31g(d).qchem.inp (generated)

052807845.b3lyp_6-31g(d).gjf (generated)

052807845.b3lyp_6-31g(d).firefly.inp (generated)

052807845.b3lyp_6-31g(d).smash.inp (generated)

052807845.b3lyp_6-31g(d).nwchem.inp (generated) 052807845.b3lyp_6-31g(d).log.xz 052807845.td-b3lyp_6-31g+(d).inp 052807845.td-b3lyp_6-31g+(d).log.xz

052807845.td-b3lyp_6-31+g(d).qchem.inp (generated)

052807845.td-b3lyp_6-31+g(d).gjf (generated)

052807845.td-b3lyp_6-31+g(d).firefly.inp (generated)

052807845.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052807845.mol 052807845.PUBCHEM 052807845.mol (via Jmol)
052807847.b3lyp_6-31g(d).inp

052807847.b3lyp_6-31g(d).qchem.inp (generated)

052807847.b3lyp_6-31g(d).gjf (generated)

052807847.b3lyp_6-31g(d).firefly.inp (generated)

052807847.b3lyp_6-31g(d).smash.inp (generated)

052807847.b3lyp_6-31g(d).nwchem.inp (generated) 052807847.b3lyp_6-31g(d).log.xz 052807847.td-b3lyp_6-31g+(d).inp 052807847.td-b3lyp_6-31g+(d).log.xz

052807847.td-b3lyp_6-31+g(d).qchem.inp (generated)

052807847.td-b3lyp_6-31+g(d).gjf (generated)

052807847.td-b3lyp_6-31+g(d).firefly.inp (generated)

052807847.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052807847.mol 052807847.PUBCHEM 052807847.mol (via Jmol)
052808466.b3lyp_6-31g(d).inp

052808466.b3lyp_6-31g(d).qchem.inp (generated)

052808466.b3lyp_6-31g(d).gjf (generated)

052808466.b3lyp_6-31g(d).firefly.inp (generated)

052808466.b3lyp_6-31g(d).smash.inp (generated)

052808466.b3lyp_6-31g(d).nwchem.inp (generated) 052808466.b3lyp_6-31g(d).log.xz 052808466.td-b3lyp_6-31g+(d).inp 052808466.td-b3lyp_6-31g+(d).log.xz

052808466.td-b3lyp_6-31+g(d).qchem.inp (generated)

052808466.td-b3lyp_6-31+g(d).gjf (generated)

052808466.td-b3lyp_6-31+g(d).firefly.inp (generated)

052808466.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052808466.mol 052808466.PUBCHEM 052808466.mol (via Jmol)
052808467.b3lyp_6-31g(d).inp

052808467.b3lyp_6-31g(d).qchem.inp (generated)

052808467.b3lyp_6-31g(d).gjf (generated)

052808467.b3lyp_6-31g(d).firefly.inp (generated)

052808467.b3lyp_6-31g(d).smash.inp (generated)

052808467.b3lyp_6-31g(d).nwchem.inp (generated) 052808467.b3lyp_6-31g(d).log.xz 052808467.td-b3lyp_6-31g+(d).inp 052808467.td-b3lyp_6-31g+(d).log.xz

052808467.td-b3lyp_6-31+g(d).qchem.inp (generated)

052808467.td-b3lyp_6-31+g(d).gjf (generated)

052808467.td-b3lyp_6-31+g(d).firefly.inp (generated)

052808467.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052808467.mol 052808467.PUBCHEM 052808467.mol (via Jmol)
052808469.b3lyp_6-31g(d).inp

052808469.b3lyp_6-31g(d).qchem.inp (generated)

052808469.b3lyp_6-31g(d).gjf (generated)

052808469.b3lyp_6-31g(d).firefly.inp (generated)

052808469.b3lyp_6-31g(d).smash.inp (generated)

052808469.b3lyp_6-31g(d).nwchem.inp (generated) 052808469.b3lyp_6-31g(d).log.xz 052808469.td-b3lyp_6-31g+(d).inp 052808469.td-b3lyp_6-31g+(d).log.xz

052808469.td-b3lyp_6-31+g(d).qchem.inp (generated)

052808469.td-b3lyp_6-31+g(d).gjf (generated)

052808469.td-b3lyp_6-31+g(d).firefly.inp (generated)

052808469.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052808469.mol 052808469.PUBCHEM 052808469.mol (via Jmol)
052808470.b3lyp_6-31g(d).inp

052808470.b3lyp_6-31g(d).qchem.inp (generated)

052808470.b3lyp_6-31g(d).gjf (generated)

052808470.b3lyp_6-31g(d).firefly.inp (generated)

052808470.b3lyp_6-31g(d).smash.inp (generated)

052808470.b3lyp_6-31g(d).nwchem.inp (generated) 052808470.b3lyp_6-31g(d).log.xz 052808470.td-b3lyp_6-31g+(d).inp 052808470.td-b3lyp_6-31g+(d).log.xz

052808470.td-b3lyp_6-31+g(d).qchem.inp (generated)

052808470.td-b3lyp_6-31+g(d).gjf (generated)

052808470.td-b3lyp_6-31+g(d).firefly.inp (generated)

052808470.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052808470.mol 052808470.PUBCHEM 052808470.mol (via Jmol)
052809548.b3lyp_6-31g(d).inp

052809548.b3lyp_6-31g(d).qchem.inp (generated)

052809548.b3lyp_6-31g(d).gjf (generated)

052809548.b3lyp_6-31g(d).firefly.inp (generated)

052809548.b3lyp_6-31g(d).smash.inp (generated)

052809548.b3lyp_6-31g(d).nwchem.inp (generated) 052809548.b3lyp_6-31g(d).log.xz 052809548.td-b3lyp_6-31g+(d).inp 052809548.td-b3lyp_6-31g+(d).log.xz

052809548.td-b3lyp_6-31+g(d).qchem.inp (generated)

052809548.td-b3lyp_6-31+g(d).gjf (generated)

052809548.td-b3lyp_6-31+g(d).firefly.inp (generated)

052809548.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052809548.mol 052809548.PUBCHEM 052809548.mol (via Jmol)
052809553.b3lyp_6-31g(d).inp

052809553.b3lyp_6-31g(d).qchem.inp (generated)

052809553.b3lyp_6-31g(d).gjf (generated)

052809553.b3lyp_6-31g(d).firefly.inp (generated)

052809553.b3lyp_6-31g(d).smash.inp (generated)

052809553.b3lyp_6-31g(d).nwchem.inp (generated) 052809553.b3lyp_6-31g(d).log.xz 052809553.td-b3lyp_6-31g+(d).inp 052809553.td-b3lyp_6-31g+(d).log.xz

052809553.td-b3lyp_6-31+g(d).qchem.inp (generated)

052809553.td-b3lyp_6-31+g(d).gjf (generated)

052809553.td-b3lyp_6-31+g(d).firefly.inp (generated)

052809553.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052809553.mol 052809553.PUBCHEM 052809553.mol (via Jmol)
052809554.b3lyp_6-31g(d).inp

052809554.b3lyp_6-31g(d).qchem.inp (generated)

052809554.b3lyp_6-31g(d).gjf (generated)

052809554.b3lyp_6-31g(d).firefly.inp (generated)

052809554.b3lyp_6-31g(d).smash.inp (generated)

052809554.b3lyp_6-31g(d).nwchem.inp (generated) 052809554.b3lyp_6-31g(d).log.xz 052809554.td-b3lyp_6-31g+(d).inp 052809554.td-b3lyp_6-31g+(d).log.xz

052809554.td-b3lyp_6-31+g(d).qchem.inp (generated)

052809554.td-b3lyp_6-31+g(d).gjf (generated)

052809554.td-b3lyp_6-31+g(d).firefly.inp (generated)

052809554.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052809554.mol 052809554.PUBCHEM 052809554.mol (via Jmol)
052809562.b3lyp_6-31g(d).inp

052809562.b3lyp_6-31g(d).qchem.inp (generated)

052809562.b3lyp_6-31g(d).gjf (generated)

052809562.b3lyp_6-31g(d).firefly.inp (generated)

052809562.b3lyp_6-31g(d).smash.inp (generated)

052809562.b3lyp_6-31g(d).nwchem.inp (generated) 052809562.b3lyp_6-31g(d).log.xz 052809562.mol 052809562.PUBCHEM 052809562.mol (via Jmol)
052809566.b3lyp_6-31g(d).inp

052809566.b3lyp_6-31g(d).qchem.inp (generated)

052809566.b3lyp_6-31g(d).gjf (generated)

052809566.b3lyp_6-31g(d).firefly.inp (generated)

052809566.b3lyp_6-31g(d).smash.inp (generated)

052809566.b3lyp_6-31g(d).nwchem.inp (generated) 052809566.b3lyp_6-31g(d).log.xz 052809566.mol 052809566.PUBCHEM 052809566.mol (via Jmol)
052809574.b3lyp_6-31g(d).inp

052809574.b3lyp_6-31g(d).qchem.inp (generated)

052809574.b3lyp_6-31g(d).gjf (generated)

052809574.b3lyp_6-31g(d).firefly.inp (generated)

052809574.b3lyp_6-31g(d).smash.inp (generated)

052809574.b3lyp_6-31g(d).nwchem.inp (generated) 052809574.b3lyp_6-31g(d).log.xz 052809574.td-b3lyp_6-31g+(d).inp 052809574.td-b3lyp_6-31g+(d).log.xz

052809574.td-b3lyp_6-31+g(d).qchem.inp (generated)

052809574.td-b3lyp_6-31+g(d).gjf (generated)

052809574.td-b3lyp_6-31+g(d).firefly.inp (generated)

052809574.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052809574.mol 052809574.PUBCHEM 052809574.mol (via Jmol)
052809575.b3lyp_6-31g(d).inp

052809575.b3lyp_6-31g(d).qchem.inp (generated)

052809575.b3lyp_6-31g(d).gjf (generated)

052809575.b3lyp_6-31g(d).firefly.inp (generated)

052809575.b3lyp_6-31g(d).smash.inp (generated)

052809575.b3lyp_6-31g(d).nwchem.inp (generated) 052809575.b3lyp_6-31g(d).log.xz 052809575.td-b3lyp_6-31g+(d).inp 052809575.td-b3lyp_6-31g+(d).log.xz

052809575.td-b3lyp_6-31+g(d).qchem.inp (generated)

052809575.td-b3lyp_6-31+g(d).gjf (generated)

052809575.td-b3lyp_6-31+g(d).firefly.inp (generated)

052809575.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052809575.mol 052809575.PUBCHEM 052809575.mol (via Jmol)
052809578.b3lyp_6-31g(d).inp

052809578.b3lyp_6-31g(d).qchem.inp (generated)

052809578.b3lyp_6-31g(d).gjf (generated)

052809578.b3lyp_6-31g(d).firefly.inp (generated)

052809578.b3lyp_6-31g(d).smash.inp (generated)

052809578.b3lyp_6-31g(d).nwchem.inp (generated) 052809578.b3lyp_6-31g(d).log.xz 052809578.td-b3lyp_6-31g+(d).inp 052809578.td-b3lyp_6-31g+(d).log.xz

052809578.td-b3lyp_6-31+g(d).qchem.inp (generated)

052809578.td-b3lyp_6-31+g(d).gjf (generated)

052809578.td-b3lyp_6-31+g(d).firefly.inp (generated)

052809578.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052809578.mol 052809578.PUBCHEM 052809578.mol (via Jmol)
052809579.b3lyp_6-31g(d).inp

052809579.b3lyp_6-31g(d).qchem.inp (generated)

052809579.b3lyp_6-31g(d).gjf (generated)

052809579.b3lyp_6-31g(d).firefly.inp (generated)

052809579.b3lyp_6-31g(d).smash.inp (generated)

052809579.b3lyp_6-31g(d).nwchem.inp (generated) 052809579.b3lyp_6-31g(d).log.xz 052809579.td-b3lyp_6-31g+(d).inp 052809579.td-b3lyp_6-31g+(d).log.xz

052809579.td-b3lyp_6-31+g(d).qchem.inp (generated)

052809579.td-b3lyp_6-31+g(d).gjf (generated)

052809579.td-b3lyp_6-31+g(d).firefly.inp (generated)

052809579.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052809579.mol 052809579.PUBCHEM 052809579.mol (via Jmol)
052809589.b3lyp_6-31g(d).inp

052809589.b3lyp_6-31g(d).qchem.inp (generated)

052809589.b3lyp_6-31g(d).gjf (generated)

052809589.b3lyp_6-31g(d).firefly.inp (generated)

052809589.b3lyp_6-31g(d).smash.inp (generated)

052809589.b3lyp_6-31g(d).nwchem.inp (generated) 052809589.b3lyp_6-31g(d).log.xz 052809589.td-b3lyp_6-31g+(d).inp 052809589.td-b3lyp_6-31g+(d).log.xz

052809589.td-b3lyp_6-31+g(d).qchem.inp (generated)

052809589.td-b3lyp_6-31+g(d).gjf (generated)

052809589.td-b3lyp_6-31+g(d).firefly.inp (generated)

052809589.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052809589.mol 052809589.PUBCHEM 052809589.mol (via Jmol)
052809594.b3lyp_6-31g(d).inp

052809594.b3lyp_6-31g(d).qchem.inp (generated)

052809594.b3lyp_6-31g(d).gjf (generated)

052809594.b3lyp_6-31g(d).firefly.inp (generated)

052809594.b3lyp_6-31g(d).smash.inp (generated)

052809594.b3lyp_6-31g(d).nwchem.inp (generated) 052809594.b3lyp_6-31g(d).log.xz 052809594.td-b3lyp_6-31g+(d).inp 052809594.td-b3lyp_6-31g+(d).log.xz

052809594.td-b3lyp_6-31+g(d).qchem.inp (generated)

052809594.td-b3lyp_6-31+g(d).gjf (generated)

052809594.td-b3lyp_6-31+g(d).firefly.inp (generated)

052809594.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052809594.mol 052809594.PUBCHEM 052809594.mol (via Jmol)
052809596.b3lyp_6-31g(d).inp

052809596.b3lyp_6-31g(d).qchem.inp (generated)

052809596.b3lyp_6-31g(d).gjf (generated)

052809596.b3lyp_6-31g(d).firefly.inp (generated)

052809596.b3lyp_6-31g(d).smash.inp (generated)

052809596.b3lyp_6-31g(d).nwchem.inp (generated) 052809596.b3lyp_6-31g(d).log.xz 052809596.td-b3lyp_6-31g+(d).inp 052809596.td-b3lyp_6-31g+(d).log.xz

052809596.td-b3lyp_6-31+g(d).qchem.inp (generated)

052809596.td-b3lyp_6-31+g(d).gjf (generated)

052809596.td-b3lyp_6-31+g(d).firefly.inp (generated)

052809596.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052809596.mol 052809596.PUBCHEM 052809596.mol (via Jmol)
052809607.b3lyp_6-31g(d).inp

052809607.b3lyp_6-31g(d).qchem.inp (generated)

052809607.b3lyp_6-31g(d).gjf (generated)

052809607.b3lyp_6-31g(d).firefly.inp (generated)

052809607.b3lyp_6-31g(d).smash.inp (generated)

052809607.b3lyp_6-31g(d).nwchem.inp (generated) 052809607.b3lyp_6-31g(d).log.xz 052809607.td-b3lyp_6-31g+(d).inp 052809607.td-b3lyp_6-31g+(d).log.xz

052809607.td-b3lyp_6-31+g(d).qchem.inp (generated)

052809607.td-b3lyp_6-31+g(d).gjf (generated)

052809607.td-b3lyp_6-31+g(d).firefly.inp (generated)

052809607.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052809607.mol 052809607.PUBCHEM 052809607.mol (via Jmol)
052809608.b3lyp_6-31g(d).inp

052809608.b3lyp_6-31g(d).qchem.inp (generated)

052809608.b3lyp_6-31g(d).gjf (generated)

052809608.b3lyp_6-31g(d).firefly.inp (generated)

052809608.b3lyp_6-31g(d).smash.inp (generated)

052809608.b3lyp_6-31g(d).nwchem.inp (generated) 052809608.b3lyp_6-31g(d).log.xz 052809608.td-b3lyp_6-31g+(d).inp 052809608.td-b3lyp_6-31g+(d).log.xz

052809608.td-b3lyp_6-31+g(d).qchem.inp (generated)

052809608.td-b3lyp_6-31+g(d).gjf (generated)

052809608.td-b3lyp_6-31+g(d).firefly.inp (generated)

052809608.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052809608.mol 052809608.PUBCHEM 052809608.mol (via Jmol)
052809612.b3lyp_6-31g(d).inp

052809612.b3lyp_6-31g(d).qchem.inp (generated)

052809612.b3lyp_6-31g(d).gjf (generated)

052809612.b3lyp_6-31g(d).firefly.inp (generated)

052809612.b3lyp_6-31g(d).smash.inp (generated)

052809612.b3lyp_6-31g(d).nwchem.inp (generated) 052809612.b3lyp_6-31g(d).log.xz 052809612.td-b3lyp_6-31g+(d).inp 052809612.td-b3lyp_6-31g+(d).log.xz

052809612.td-b3lyp_6-31+g(d).qchem.inp (generated)

052809612.td-b3lyp_6-31+g(d).gjf (generated)

052809612.td-b3lyp_6-31+g(d).firefly.inp (generated)

052809612.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052809612.mol 052809612.PUBCHEM 052809612.mol (via Jmol)
052809826.b3lyp_6-31g(d).inp

052809826.b3lyp_6-31g(d).qchem.inp (generated)

052809826.b3lyp_6-31g(d).gjf (generated)

052809826.b3lyp_6-31g(d).firefly.inp (generated)

052809826.b3lyp_6-31g(d).smash.inp (generated)

052809826.b3lyp_6-31g(d).nwchem.inp (generated) 052809826.b3lyp_6-31g(d).log.xz 052809826.td-b3lyp_6-31g+(d).inp 052809826.td-b3lyp_6-31g+(d).log.xz

052809826.td-b3lyp_6-31+g(d).qchem.inp (generated)

052809826.td-b3lyp_6-31+g(d).gjf (generated)

052809826.td-b3lyp_6-31+g(d).firefly.inp (generated)

052809826.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052809826.mol 052809826.PUBCHEM 052809826.mol (via Jmol)
052809827.b3lyp_6-31g(d).inp

052809827.b3lyp_6-31g(d).qchem.inp (generated)

052809827.b3lyp_6-31g(d).gjf (generated)

052809827.b3lyp_6-31g(d).firefly.inp (generated)

052809827.b3lyp_6-31g(d).smash.inp (generated)

052809827.b3lyp_6-31g(d).nwchem.inp (generated) 052809827.b3lyp_6-31g(d).log.xz 052809827.td-b3lyp_6-31g+(d).inp 052809827.td-b3lyp_6-31g+(d).log.xz

052809827.td-b3lyp_6-31+g(d).qchem.inp (generated)

052809827.td-b3lyp_6-31+g(d).gjf (generated)

052809827.td-b3lyp_6-31+g(d).firefly.inp (generated)

052809827.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052809827.mol 052809827.PUBCHEM 052809827.mol (via Jmol)
052809928.b3lyp_6-31g(d).inp

052809928.b3lyp_6-31g(d).qchem.inp (generated)

052809928.b3lyp_6-31g(d).gjf (generated)

052809928.b3lyp_6-31g(d).firefly.inp (generated)

052809928.b3lyp_6-31g(d).smash.inp (generated)

052809928.b3lyp_6-31g(d).nwchem.inp (generated) 052809928.b3lyp_6-31g(d).log.xz 052809928.mol 052809928.PUBCHEM 052809928.mol (via Jmol)
052810650.b3lyp_6-31g(d).inp

052810650.b3lyp_6-31g(d).qchem.inp (generated)

052810650.b3lyp_6-31g(d).gjf (generated)

052810650.b3lyp_6-31g(d).firefly.inp (generated)

052810650.b3lyp_6-31g(d).smash.inp (generated)

052810650.b3lyp_6-31g(d).nwchem.inp (generated) 052810650.b3lyp_6-31g(d).log.xz 052810650.td-b3lyp_6-31g+(d).inp 052810650.td-b3lyp_6-31g+(d).log.xz

052810650.td-b3lyp_6-31+g(d).qchem.inp (generated)

052810650.td-b3lyp_6-31+g(d).gjf (generated)

052810650.td-b3lyp_6-31+g(d).firefly.inp (generated)

052810650.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052810650.mol 052810650.PUBCHEM 052810650.mol (via Jmol)
052810896.b3lyp_6-31g(d).inp

052810896.b3lyp_6-31g(d).qchem.inp (generated)

052810896.b3lyp_6-31g(d).gjf (generated)

052810896.b3lyp_6-31g(d).firefly.inp (generated)

052810896.b3lyp_6-31g(d).smash.inp (generated)

052810896.b3lyp_6-31g(d).nwchem.inp (generated) 052810896.b3lyp_6-31g(d).log.xz 052810896.td-b3lyp_6-31g+(d).inp 052810896.td-b3lyp_6-31g+(d).log.xz

052810896.td-b3lyp_6-31+g(d).qchem.inp (generated)

052810896.td-b3lyp_6-31+g(d).gjf (generated)

052810896.td-b3lyp_6-31+g(d).firefly.inp (generated)

052810896.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052810896.mol 052810896.PUBCHEM 052810896.mol (via Jmol)
052810897.b3lyp_6-31g(d).inp

052810897.b3lyp_6-31g(d).qchem.inp (generated)

052810897.b3lyp_6-31g(d).gjf (generated)

052810897.b3lyp_6-31g(d).firefly.inp (generated)

052810897.b3lyp_6-31g(d).smash.inp (generated)

052810897.b3lyp_6-31g(d).nwchem.inp (generated) 052810897.b3lyp_6-31g(d).log.xz 052810897.td-b3lyp_6-31g+(d).inp 052810897.td-b3lyp_6-31g+(d).log.xz

052810897.td-b3lyp_6-31+g(d).qchem.inp (generated)

052810897.td-b3lyp_6-31+g(d).gjf (generated)

052810897.td-b3lyp_6-31+g(d).firefly.inp (generated)

052810897.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052810897.mol 052810897.PUBCHEM 052810897.mol (via Jmol)
052810898.b3lyp_6-31g(d).inp

052810898.b3lyp_6-31g(d).qchem.inp (generated)

052810898.b3lyp_6-31g(d).gjf (generated)

052810898.b3lyp_6-31g(d).firefly.inp (generated)

052810898.b3lyp_6-31g(d).smash.inp (generated)

052810898.b3lyp_6-31g(d).nwchem.inp (generated) 052810898.b3lyp_6-31g(d).log.xz 052810898.td-b3lyp_6-31g+(d).inp 052810898.td-b3lyp_6-31g+(d).log.xz

052810898.td-b3lyp_6-31+g(d).qchem.inp (generated)

052810898.td-b3lyp_6-31+g(d).gjf (generated)

052810898.td-b3lyp_6-31+g(d).firefly.inp (generated)

052810898.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052810898.mol 052810898.PUBCHEM 052810898.mol (via Jmol)
052810899.b3lyp_6-31g(d).inp

052810899.b3lyp_6-31g(d).qchem.inp (generated)

052810899.b3lyp_6-31g(d).gjf (generated)

052810899.b3lyp_6-31g(d).firefly.inp (generated)

052810899.b3lyp_6-31g(d).smash.inp (generated)

052810899.b3lyp_6-31g(d).nwchem.inp (generated) 052810899.b3lyp_6-31g(d).log.xz 052810899.td-b3lyp_6-31g+(d).inp 052810899.td-b3lyp_6-31g+(d).log.xz

052810899.td-b3lyp_6-31+g(d).qchem.inp (generated)

052810899.td-b3lyp_6-31+g(d).gjf (generated)

052810899.td-b3lyp_6-31+g(d).firefly.inp (generated)

052810899.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052810899.mol 052810899.PUBCHEM 052810899.mol (via Jmol)
052810903.b3lyp_6-31g(d).inp

052810903.b3lyp_6-31g(d).qchem.inp (generated)

052810903.b3lyp_6-31g(d).gjf (generated)

052810903.b3lyp_6-31g(d).firefly.inp (generated)

052810903.b3lyp_6-31g(d).smash.inp (generated)

052810903.b3lyp_6-31g(d).nwchem.inp (generated) 052810903.b3lyp_6-31g(d).log.xz 052810903.mol 052810903.PUBCHEM 052810903.mol (via Jmol)
052810912.b3lyp_6-31g(d).inp

052810912.b3lyp_6-31g(d).qchem.inp (generated)

052810912.b3lyp_6-31g(d).gjf (generated)

052810912.b3lyp_6-31g(d).firefly.inp (generated)

052810912.b3lyp_6-31g(d).smash.inp (generated)

052810912.b3lyp_6-31g(d).nwchem.inp (generated) 052810912.b3lyp_6-31g(d).log.xz 052810912.td-b3lyp_6-31g+(d).inp 052810912.td-b3lyp_6-31g+(d).log.xz

052810912.td-b3lyp_6-31+g(d).qchem.inp (generated)

052810912.td-b3lyp_6-31+g(d).gjf (generated)

052810912.td-b3lyp_6-31+g(d).firefly.inp (generated)

052810912.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052810912.mol 052810912.PUBCHEM 052810912.mol (via Jmol)
052810913.b3lyp_6-31g(d).inp

052810913.b3lyp_6-31g(d).qchem.inp (generated)

052810913.b3lyp_6-31g(d).gjf (generated)

052810913.b3lyp_6-31g(d).firefly.inp (generated)

052810913.b3lyp_6-31g(d).smash.inp (generated)

052810913.b3lyp_6-31g(d).nwchem.inp (generated) 052810913.b3lyp_6-31g(d).log.xz 052810913.td-b3lyp_6-31g+(d).inp 052810913.td-b3lyp_6-31g+(d).log.xz

052810913.td-b3lyp_6-31+g(d).qchem.inp (generated)

052810913.td-b3lyp_6-31+g(d).gjf (generated)

052810913.td-b3lyp_6-31+g(d).firefly.inp (generated)

052810913.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052810913.mol 052810913.PUBCHEM 052810913.mol (via Jmol)
052810914.b3lyp_6-31g(d).inp

052810914.b3lyp_6-31g(d).qchem.inp (generated)

052810914.b3lyp_6-31g(d).gjf (generated)

052810914.b3lyp_6-31g(d).firefly.inp (generated)

052810914.b3lyp_6-31g(d).smash.inp (generated)

052810914.b3lyp_6-31g(d).nwchem.inp (generated) 052810914.b3lyp_6-31g(d).log.xz 052810914.td-b3lyp_6-31g+(d).inp 052810914.td-b3lyp_6-31g+(d).log.xz

052810914.td-b3lyp_6-31+g(d).qchem.inp (generated)

052810914.td-b3lyp_6-31+g(d).gjf (generated)

052810914.td-b3lyp_6-31+g(d).firefly.inp (generated)

052810914.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052810914.mol 052810914.PUBCHEM 052810914.mol (via Jmol)
052810915.b3lyp_6-31g(d).inp

052810915.b3lyp_6-31g(d).qchem.inp (generated)

052810915.b3lyp_6-31g(d).gjf (generated)

052810915.b3lyp_6-31g(d).firefly.inp (generated)

052810915.b3lyp_6-31g(d).smash.inp (generated)

052810915.b3lyp_6-31g(d).nwchem.inp (generated) 052810915.b3lyp_6-31g(d).log.xz 052810915.td-b3lyp_6-31g+(d).inp 052810915.td-b3lyp_6-31g+(d).log.xz

052810915.td-b3lyp_6-31+g(d).qchem.inp (generated)

052810915.td-b3lyp_6-31+g(d).gjf (generated)

052810915.td-b3lyp_6-31+g(d).firefly.inp (generated)

052810915.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052810915.mol 052810915.PUBCHEM 052810915.mol (via Jmol)
052810916.b3lyp_6-31g(d).inp

052810916.b3lyp_6-31g(d).qchem.inp (generated)

052810916.b3lyp_6-31g(d).gjf (generated)

052810916.b3lyp_6-31g(d).firefly.inp (generated)

052810916.b3lyp_6-31g(d).smash.inp (generated)

052810916.b3lyp_6-31g(d).nwchem.inp (generated) 052810916.b3lyp_6-31g(d).log.xz 052810916.td-b3lyp_6-31g+(d).inp 052810916.td-b3lyp_6-31g+(d).log.xz

052810916.td-b3lyp_6-31+g(d).qchem.inp (generated)

052810916.td-b3lyp_6-31+g(d).gjf (generated)

052810916.td-b3lyp_6-31+g(d).firefly.inp (generated)

052810916.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052810916.mol 052810916.PUBCHEM 052810916.mol (via Jmol)
052810917.b3lyp_6-31g(d).inp

052810917.b3lyp_6-31g(d).qchem.inp (generated)

052810917.b3lyp_6-31g(d).gjf (generated)

052810917.b3lyp_6-31g(d).firefly.inp (generated)

052810917.b3lyp_6-31g(d).smash.inp (generated)

052810917.b3lyp_6-31g(d).nwchem.inp (generated) 052810917.b3lyp_6-31g(d).log.xz 052810917.td-b3lyp_6-31g+(d).inp 052810917.td-b3lyp_6-31g+(d).log.xz

052810917.td-b3lyp_6-31+g(d).qchem.inp (generated)

052810917.td-b3lyp_6-31+g(d).gjf (generated)

052810917.td-b3lyp_6-31+g(d).firefly.inp (generated)

052810917.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052810917.mol 052810917.PUBCHEM 052810917.mol (via Jmol)
052810918.b3lyp_6-31g(d).inp

052810918.b3lyp_6-31g(d).qchem.inp (generated)

052810918.b3lyp_6-31g(d).gjf (generated)

052810918.b3lyp_6-31g(d).firefly.inp (generated)

052810918.b3lyp_6-31g(d).smash.inp (generated)

052810918.b3lyp_6-31g(d).nwchem.inp (generated) 052810918.b3lyp_6-31g(d).log.xz 052810918.td-b3lyp_6-31g+(d).inp 052810918.td-b3lyp_6-31g+(d).log.xz

052810918.td-b3lyp_6-31+g(d).qchem.inp (generated)

052810918.td-b3lyp_6-31+g(d).gjf (generated)

052810918.td-b3lyp_6-31+g(d).firefly.inp (generated)

052810918.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052810918.mol 052810918.PUBCHEM 052810918.mol (via Jmol)
052810919.b3lyp_6-31g(d).inp

052810919.b3lyp_6-31g(d).qchem.inp (generated)

052810919.b3lyp_6-31g(d).gjf (generated)

052810919.b3lyp_6-31g(d).firefly.inp (generated)

052810919.b3lyp_6-31g(d).smash.inp (generated)

052810919.b3lyp_6-31g(d).nwchem.inp (generated) 052810919.b3lyp_6-31g(d).log.xz 052810919.td-b3lyp_6-31g+(d).inp 052810919.td-b3lyp_6-31g+(d).log.xz

052810919.td-b3lyp_6-31+g(d).qchem.inp (generated)

052810919.td-b3lyp_6-31+g(d).gjf (generated)

052810919.td-b3lyp_6-31+g(d).firefly.inp (generated)

052810919.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052810919.mol 052810919.PUBCHEM 052810919.mol (via Jmol)
052810920.b3lyp_6-31g(d).inp

052810920.b3lyp_6-31g(d).qchem.inp (generated)

052810920.b3lyp_6-31g(d).gjf (generated)

052810920.b3lyp_6-31g(d).firefly.inp (generated)

052810920.b3lyp_6-31g(d).smash.inp (generated)

052810920.b3lyp_6-31g(d).nwchem.inp (generated) 052810920.b3lyp_6-31g(d).log.xz 052810920.td-b3lyp_6-31g+(d).inp 052810920.td-b3lyp_6-31g+(d).log.xz

052810920.td-b3lyp_6-31+g(d).qchem.inp (generated)

052810920.td-b3lyp_6-31+g(d).gjf (generated)

052810920.td-b3lyp_6-31+g(d).firefly.inp (generated)

052810920.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052810920.mol 052810920.PUBCHEM 052810920.mol (via Jmol)
052810921.b3lyp_6-31g(d).inp

052810921.b3lyp_6-31g(d).qchem.inp (generated)

052810921.b3lyp_6-31g(d).gjf (generated)

052810921.b3lyp_6-31g(d).firefly.inp (generated)

052810921.b3lyp_6-31g(d).smash.inp (generated)

052810921.b3lyp_6-31g(d).nwchem.inp (generated) 052810921.b3lyp_6-31g(d).log.xz 052810921.td-b3lyp_6-31g+(d).inp 052810921.td-b3lyp_6-31g+(d).log.xz

052810921.td-b3lyp_6-31+g(d).qchem.inp (generated)

052810921.td-b3lyp_6-31+g(d).gjf (generated)

052810921.td-b3lyp_6-31+g(d).firefly.inp (generated)

052810921.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052810921.mol 052810921.PUBCHEM 052810921.mol (via Jmol)
052810922.b3lyp_6-31g(d).inp

052810922.b3lyp_6-31g(d).qchem.inp (generated)

052810922.b3lyp_6-31g(d).gjf (generated)

052810922.b3lyp_6-31g(d).firefly.inp (generated)

052810922.b3lyp_6-31g(d).smash.inp (generated)

052810922.b3lyp_6-31g(d).nwchem.inp (generated) 052810922.b3lyp_6-31g(d).log.xz 052810922.td-b3lyp_6-31g+(d).inp 052810922.td-b3lyp_6-31g+(d).log.xz

052810922.td-b3lyp_6-31+g(d).qchem.inp (generated)

052810922.td-b3lyp_6-31+g(d).gjf (generated)

052810922.td-b3lyp_6-31+g(d).firefly.inp (generated)

052810922.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052810922.mol 052810922.PUBCHEM 052810922.mol (via Jmol)
052810923.b3lyp_6-31g(d).inp

052810923.b3lyp_6-31g(d).qchem.inp (generated)

052810923.b3lyp_6-31g(d).gjf (generated)

052810923.b3lyp_6-31g(d).firefly.inp (generated)

052810923.b3lyp_6-31g(d).smash.inp (generated)

052810923.b3lyp_6-31g(d).nwchem.inp (generated) 052810923.b3lyp_6-31g(d).log.xz 052810923.td-b3lyp_6-31g+(d).inp 052810923.td-b3lyp_6-31g+(d).log.xz

052810923.td-b3lyp_6-31+g(d).qchem.inp (generated)

052810923.td-b3lyp_6-31+g(d).gjf (generated)

052810923.td-b3lyp_6-31+g(d).firefly.inp (generated)

052810923.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052810923.mol 052810923.PUBCHEM 052810923.mol (via Jmol)
052810924.b3lyp_6-31g(d).inp

052810924.b3lyp_6-31g(d).qchem.inp (generated)

052810924.b3lyp_6-31g(d).gjf (generated)

052810924.b3lyp_6-31g(d).firefly.inp (generated)

052810924.b3lyp_6-31g(d).smash.inp (generated)

052810924.b3lyp_6-31g(d).nwchem.inp (generated) 052810924.b3lyp_6-31g(d).log.xz 052810924.td-b3lyp_6-31g+(d).inp 052810924.td-b3lyp_6-31g+(d).log.xz

052810924.td-b3lyp_6-31+g(d).qchem.inp (generated)

052810924.td-b3lyp_6-31+g(d).gjf (generated)

052810924.td-b3lyp_6-31+g(d).firefly.inp (generated)

052810924.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052810924.mol 052810924.PUBCHEM 052810924.mol (via Jmol)
052810925.b3lyp_6-31g(d).inp

052810925.b3lyp_6-31g(d).qchem.inp (generated)

052810925.b3lyp_6-31g(d).gjf (generated)

052810925.b3lyp_6-31g(d).firefly.inp (generated)

052810925.b3lyp_6-31g(d).smash.inp (generated)

052810925.b3lyp_6-31g(d).nwchem.inp (generated) 052810925.b3lyp_6-31g(d).log.xz 052810925.td-b3lyp_6-31g+(d).inp 052810925.td-b3lyp_6-31g+(d).log.xz

052810925.td-b3lyp_6-31+g(d).qchem.inp (generated)

052810925.td-b3lyp_6-31+g(d).gjf (generated)

052810925.td-b3lyp_6-31+g(d).firefly.inp (generated)

052810925.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052810925.mol 052810925.PUBCHEM 052810925.mol (via Jmol)
052810927.b3lyp_6-31g(d).inp

052810927.b3lyp_6-31g(d).qchem.inp (generated)

052810927.b3lyp_6-31g(d).gjf (generated)

052810927.b3lyp_6-31g(d).firefly.inp (generated)

052810927.b3lyp_6-31g(d).smash.inp (generated)

052810927.b3lyp_6-31g(d).nwchem.inp (generated) 052810927.b3lyp_6-31g(d).log.xz 052810927.td-b3lyp_6-31g+(d).inp 052810927.td-b3lyp_6-31g+(d).log.xz

052810927.td-b3lyp_6-31+g(d).qchem.inp (generated)

052810927.td-b3lyp_6-31+g(d).gjf (generated)

052810927.td-b3lyp_6-31+g(d).firefly.inp (generated)

052810927.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052810927.mol 052810927.PUBCHEM 052810927.mol (via Jmol)
052810929.b3lyp_6-31g(d).inp

052810929.b3lyp_6-31g(d).qchem.inp (generated)

052810929.b3lyp_6-31g(d).gjf (generated)

052810929.b3lyp_6-31g(d).firefly.inp (generated)

052810929.b3lyp_6-31g(d).smash.inp (generated)

052810929.b3lyp_6-31g(d).nwchem.inp (generated) 052810929.b3lyp_6-31g(d).log.xz 052810929.td-b3lyp_6-31g+(d).inp 052810929.td-b3lyp_6-31g+(d).log.xz

052810929.td-b3lyp_6-31+g(d).qchem.inp (generated)

052810929.td-b3lyp_6-31+g(d).gjf (generated)

052810929.td-b3lyp_6-31+g(d).firefly.inp (generated)

052810929.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052810929.mol 052810929.PUBCHEM 052810929.mol (via Jmol)
052810931.b3lyp_6-31g(d).inp

052810931.b3lyp_6-31g(d).qchem.inp (generated)

052810931.b3lyp_6-31g(d).gjf (generated)

052810931.b3lyp_6-31g(d).firefly.inp (generated)

052810931.b3lyp_6-31g(d).smash.inp (generated)

052810931.b3lyp_6-31g(d).nwchem.inp (generated) 052810931.b3lyp_6-31g(d).log.xz 052810931.td-b3lyp_6-31g+(d).inp 052810931.td-b3lyp_6-31g+(d).log.xz

052810931.td-b3lyp_6-31+g(d).qchem.inp (generated)

052810931.td-b3lyp_6-31+g(d).gjf (generated)

052810931.td-b3lyp_6-31+g(d).firefly.inp (generated)

052810931.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052810931.mol 052810931.PUBCHEM 052810931.mol (via Jmol)
052810932.b3lyp_6-31g(d).inp

052810932.b3lyp_6-31g(d).qchem.inp (generated)

052810932.b3lyp_6-31g(d).gjf (generated)

052810932.b3lyp_6-31g(d).firefly.inp (generated)

052810932.b3lyp_6-31g(d).smash.inp (generated)

052810932.b3lyp_6-31g(d).nwchem.inp (generated) 052810932.b3lyp_6-31g(d).log.xz 052810932.td-b3lyp_6-31g+(d).inp 052810932.td-b3lyp_6-31g+(d).log.xz

052810932.td-b3lyp_6-31+g(d).qchem.inp (generated)

052810932.td-b3lyp_6-31+g(d).gjf (generated)

052810932.td-b3lyp_6-31+g(d).firefly.inp (generated)

052810932.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052810932.mol 052810932.PUBCHEM 052810932.mol (via Jmol)
052810933.b3lyp_6-31g(d).inp

052810933.b3lyp_6-31g(d).qchem.inp (generated)

052810933.b3lyp_6-31g(d).gjf (generated)

052810933.b3lyp_6-31g(d).firefly.inp (generated)

052810933.b3lyp_6-31g(d).smash.inp (generated)

052810933.b3lyp_6-31g(d).nwchem.inp (generated) 052810933.b3lyp_6-31g(d).log.xz 052810933.td-b3lyp_6-31g+(d).inp 052810933.td-b3lyp_6-31g+(d).log.xz

052810933.td-b3lyp_6-31+g(d).qchem.inp (generated)

052810933.td-b3lyp_6-31+g(d).gjf (generated)

052810933.td-b3lyp_6-31+g(d).firefly.inp (generated)

052810933.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052810933.mol 052810933.PUBCHEM 052810933.mol (via Jmol)
052810934.b3lyp_6-31g(d).inp

052810934.b3lyp_6-31g(d).qchem.inp (generated)

052810934.b3lyp_6-31g(d).gjf (generated)

052810934.b3lyp_6-31g(d).firefly.inp (generated)

052810934.b3lyp_6-31g(d).smash.inp (generated)

052810934.b3lyp_6-31g(d).nwchem.inp (generated) 052810934.b3lyp_6-31g(d).log.xz 052810934.td-b3lyp_6-31g+(d).inp 052810934.td-b3lyp_6-31g+(d).log.xz

052810934.td-b3lyp_6-31+g(d).qchem.inp (generated)

052810934.td-b3lyp_6-31+g(d).gjf (generated)

052810934.td-b3lyp_6-31+g(d).firefly.inp (generated)

052810934.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052810934.mol 052810934.PUBCHEM 052810934.mol (via Jmol)
052810935.b3lyp_6-31g(d).inp

052810935.b3lyp_6-31g(d).qchem.inp (generated)

052810935.b3lyp_6-31g(d).gjf (generated)

052810935.b3lyp_6-31g(d).firefly.inp (generated)

052810935.b3lyp_6-31g(d).smash.inp (generated)

052810935.b3lyp_6-31g(d).nwchem.inp (generated) 052810935.b3lyp_6-31g(d).log.xz 052810935.td-b3lyp_6-31g+(d).inp 052810935.td-b3lyp_6-31g+(d).log.xz

052810935.td-b3lyp_6-31+g(d).qchem.inp (generated)

052810935.td-b3lyp_6-31+g(d).gjf (generated)

052810935.td-b3lyp_6-31+g(d).firefly.inp (generated)

052810935.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052810935.mol 052810935.PUBCHEM 052810935.mol (via Jmol)
052810936.b3lyp_6-31g(d).inp

052810936.b3lyp_6-31g(d).qchem.inp (generated)

052810936.b3lyp_6-31g(d).gjf (generated)

052810936.b3lyp_6-31g(d).firefly.inp (generated)

052810936.b3lyp_6-31g(d).smash.inp (generated)

052810936.b3lyp_6-31g(d).nwchem.inp (generated) 052810936.b3lyp_6-31g(d).log.xz 052810936.td-b3lyp_6-31g+(d).inp 052810936.td-b3lyp_6-31g+(d).log.xz

052810936.td-b3lyp_6-31+g(d).qchem.inp (generated)

052810936.td-b3lyp_6-31+g(d).gjf (generated)

052810936.td-b3lyp_6-31+g(d).firefly.inp (generated)

052810936.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052810936.mol 052810936.PUBCHEM 052810936.mol (via Jmol)
052810937.b3lyp_6-31g(d).inp

052810937.b3lyp_6-31g(d).qchem.inp (generated)

052810937.b3lyp_6-31g(d).gjf (generated)

052810937.b3lyp_6-31g(d).firefly.inp (generated)

052810937.b3lyp_6-31g(d).smash.inp (generated)

052810937.b3lyp_6-31g(d).nwchem.inp (generated) 052810937.b3lyp_6-31g(d).log.xz 052810937.td-b3lyp_6-31g+(d).inp 052810937.td-b3lyp_6-31g+(d).log.xz

052810937.td-b3lyp_6-31+g(d).qchem.inp (generated)

052810937.td-b3lyp_6-31+g(d).gjf (generated)

052810937.td-b3lyp_6-31+g(d).firefly.inp (generated)

052810937.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052810937.mol 052810937.PUBCHEM 052810937.mol (via Jmol)
052810941.b3lyp_6-31g(d).inp

052810941.b3lyp_6-31g(d).qchem.inp (generated)

052810941.b3lyp_6-31g(d).gjf (generated)

052810941.b3lyp_6-31g(d).firefly.inp (generated)

052810941.b3lyp_6-31g(d).smash.inp (generated)

052810941.b3lyp_6-31g(d).nwchem.inp (generated) 052810941.b3lyp_6-31g(d).log.xz 052810941.td-b3lyp_6-31g+(d).inp 052810941.td-b3lyp_6-31g+(d).log.xz

052810941.td-b3lyp_6-31+g(d).qchem.inp (generated)

052810941.td-b3lyp_6-31+g(d).gjf (generated)

052810941.td-b3lyp_6-31+g(d).firefly.inp (generated)

052810941.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052810941.mol 052810941.PUBCHEM 052810941.mol (via Jmol)
052810946.b3lyp_6-31g(d).inp

052810946.b3lyp_6-31g(d).qchem.inp (generated)

052810946.b3lyp_6-31g(d).gjf (generated)

052810946.b3lyp_6-31g(d).firefly.inp (generated)

052810946.b3lyp_6-31g(d).smash.inp (generated)

052810946.b3lyp_6-31g(d).nwchem.inp (generated) 052810946.b3lyp_6-31g(d).log.xz 052810946.td-b3lyp_6-31g+(d).inp 052810946.td-b3lyp_6-31g+(d).log.xz

052810946.td-b3lyp_6-31+g(d).qchem.inp (generated)

052810946.td-b3lyp_6-31+g(d).gjf (generated)

052810946.td-b3lyp_6-31+g(d).firefly.inp (generated)

052810946.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052810946.mol 052810946.PUBCHEM 052810946.mol (via Jmol)
052810947.b3lyp_6-31g(d).inp

052810947.b3lyp_6-31g(d).qchem.inp (generated)

052810947.b3lyp_6-31g(d).gjf (generated)

052810947.b3lyp_6-31g(d).firefly.inp (generated)

052810947.b3lyp_6-31g(d).smash.inp (generated)

052810947.b3lyp_6-31g(d).nwchem.inp (generated) 052810947.b3lyp_6-31g(d).log.xz 052810947.td-b3lyp_6-31g+(d).inp 052810947.td-b3lyp_6-31g+(d).log.xz

052810947.td-b3lyp_6-31+g(d).qchem.inp (generated)

052810947.td-b3lyp_6-31+g(d).gjf (generated)

052810947.td-b3lyp_6-31+g(d).firefly.inp (generated)

052810947.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052810947.mol 052810947.PUBCHEM 052810947.mol (via Jmol)
052810949.b3lyp_6-31g(d).inp

052810949.b3lyp_6-31g(d).qchem.inp (generated)

052810949.b3lyp_6-31g(d).gjf (generated)

052810949.b3lyp_6-31g(d).firefly.inp (generated)

052810949.b3lyp_6-31g(d).smash.inp (generated)

052810949.b3lyp_6-31g(d).nwchem.inp (generated) 052810949.b3lyp_6-31g(d).log.xz 052810949.td-b3lyp_6-31g+(d).inp 052810949.td-b3lyp_6-31g+(d).log.xz

052810949.td-b3lyp_6-31+g(d).qchem.inp (generated)

052810949.td-b3lyp_6-31+g(d).gjf (generated)

052810949.td-b3lyp_6-31+g(d).firefly.inp (generated)

052810949.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052810949.mol 052810949.PUBCHEM 052810949.mol (via Jmol)
052810951.b3lyp_6-31g(d).inp

052810951.b3lyp_6-31g(d).qchem.inp (generated)

052810951.b3lyp_6-31g(d).gjf (generated)

052810951.b3lyp_6-31g(d).firefly.inp (generated)

052810951.b3lyp_6-31g(d).smash.inp (generated)

052810951.b3lyp_6-31g(d).nwchem.inp (generated) 052810951.b3lyp_6-31g(d).log.xz 052810951.td-b3lyp_6-31g+(d).inp 052810951.td-b3lyp_6-31g+(d).log.xz

052810951.td-b3lyp_6-31+g(d).qchem.inp (generated)

052810951.td-b3lyp_6-31+g(d).gjf (generated)

052810951.td-b3lyp_6-31+g(d).firefly.inp (generated)

052810951.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052810951.mol 052810951.PUBCHEM 052810951.mol (via Jmol)
052810952.b3lyp_6-31g(d).inp

052810952.b3lyp_6-31g(d).qchem.inp (generated)

052810952.b3lyp_6-31g(d).gjf (generated)

052810952.b3lyp_6-31g(d).firefly.inp (generated)

052810952.b3lyp_6-31g(d).smash.inp (generated)

052810952.b3lyp_6-31g(d).nwchem.inp (generated) 052810952.b3lyp_6-31g(d).log.xz 052810952.td-b3lyp_6-31g+(d).inp 052810952.td-b3lyp_6-31g+(d).log.xz

052810952.td-b3lyp_6-31+g(d).qchem.inp (generated)

052810952.td-b3lyp_6-31+g(d).gjf (generated)

052810952.td-b3lyp_6-31+g(d).firefly.inp (generated)

052810952.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052810952.mol 052810952.PUBCHEM 052810952.mol (via Jmol)
052810953.b3lyp_6-31g(d).inp

052810953.b3lyp_6-31g(d).qchem.inp (generated)

052810953.b3lyp_6-31g(d).gjf (generated)

052810953.b3lyp_6-31g(d).firefly.inp (generated)

052810953.b3lyp_6-31g(d).smash.inp (generated)

052810953.b3lyp_6-31g(d).nwchem.inp (generated) 052810953.b3lyp_6-31g(d).log.xz 052810953.td-b3lyp_6-31g+(d).inp 052810953.td-b3lyp_6-31g+(d).log.xz

052810953.td-b3lyp_6-31+g(d).qchem.inp (generated)

052810953.td-b3lyp_6-31+g(d).gjf (generated)

052810953.td-b3lyp_6-31+g(d).firefly.inp (generated)

052810953.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052810953.mol 052810953.PUBCHEM 052810953.mol (via Jmol)
052810990.b3lyp_6-31g(d).inp

052810990.b3lyp_6-31g(d).qchem.inp (generated)

052810990.b3lyp_6-31g(d).gjf (generated)

052810990.b3lyp_6-31g(d).firefly.inp (generated)

052810990.b3lyp_6-31g(d).smash.inp (generated)

052810990.b3lyp_6-31g(d).nwchem.inp (generated) 052810990.b3lyp_6-31g(d).log.xz 052810990.td-b3lyp_6-31g+(d).inp 052810990.td-b3lyp_6-31g+(d).log.xz

052810990.td-b3lyp_6-31+g(d).qchem.inp (generated)

052810990.td-b3lyp_6-31+g(d).gjf (generated)

052810990.td-b3lyp_6-31+g(d).firefly.inp (generated)

052810990.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052810990.mol 052810990.PUBCHEM 052810990.mol (via Jmol)
052810992.b3lyp_6-31g(d).inp

052810992.b3lyp_6-31g(d).qchem.inp (generated)

052810992.b3lyp_6-31g(d).gjf (generated)

052810992.b3lyp_6-31g(d).firefly.inp (generated)

052810992.b3lyp_6-31g(d).smash.inp (generated)

052810992.b3lyp_6-31g(d).nwchem.inp (generated) 052810992.b3lyp_6-31g(d).log.xz 052810992.td-b3lyp_6-31g+(d).inp 052810992.td-b3lyp_6-31g+(d).log.xz

052810992.td-b3lyp_6-31+g(d).qchem.inp (generated)

052810992.td-b3lyp_6-31+g(d).gjf (generated)

052810992.td-b3lyp_6-31+g(d).firefly.inp (generated)

052810992.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052810992.mol 052810992.PUBCHEM 052810992.mol (via Jmol)
052812262.b3lyp_6-31g(d).inp

052812262.b3lyp_6-31g(d).qchem.inp (generated)

052812262.b3lyp_6-31g(d).gjf (generated)

052812262.b3lyp_6-31g(d).firefly.inp (generated)

052812262.b3lyp_6-31g(d).smash.inp (generated)

052812262.b3lyp_6-31g(d).nwchem.inp (generated) 052812262.b3lyp_6-31g(d).log.xz 052812262.mol 052812262.PUBCHEM 052812262.mol (via Jmol)
052812263.b3lyp_6-31g(d).inp

052812263.b3lyp_6-31g(d).qchem.inp (generated)

052812263.b3lyp_6-31g(d).gjf (generated)

052812263.b3lyp_6-31g(d).firefly.inp (generated)

052812263.b3lyp_6-31g(d).smash.inp (generated)

052812263.b3lyp_6-31g(d).nwchem.inp (generated) 052812263.b3lyp_6-31g(d).log.xz 052812263.mol 052812263.PUBCHEM 052812263.mol (via Jmol)
052812434.b3lyp_6-31g(d).inp

052812434.b3lyp_6-31g(d).qchem.inp (generated)

052812434.b3lyp_6-31g(d).gjf (generated)

052812434.b3lyp_6-31g(d).firefly.inp (generated)

052812434.b3lyp_6-31g(d).smash.inp (generated)

052812434.b3lyp_6-31g(d).nwchem.inp (generated) 052812434.b3lyp_6-31g(d).log.xz 052812434.td-b3lyp_6-31g+(d).inp 052812434.td-b3lyp_6-31g+(d).log.xz

052812434.td-b3lyp_6-31+g(d).qchem.inp (generated)

052812434.td-b3lyp_6-31+g(d).gjf (generated)

052812434.td-b3lyp_6-31+g(d).firefly.inp (generated)

052812434.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052812434.mol 052812434.PUBCHEM 052812434.mol (via Jmol)
052812435.b3lyp_6-31g(d).inp

052812435.b3lyp_6-31g(d).qchem.inp (generated)

052812435.b3lyp_6-31g(d).gjf (generated)

052812435.b3lyp_6-31g(d).firefly.inp (generated)

052812435.b3lyp_6-31g(d).smash.inp (generated)

052812435.b3lyp_6-31g(d).nwchem.inp (generated) 052812435.b3lyp_6-31g(d).log.xz 052812435.td-b3lyp_6-31g+(d).inp 052812435.td-b3lyp_6-31g+(d).log.xz

052812435.td-b3lyp_6-31+g(d).qchem.inp (generated)

052812435.td-b3lyp_6-31+g(d).gjf (generated)

052812435.td-b3lyp_6-31+g(d).firefly.inp (generated)

052812435.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052812435.mol 052812435.PUBCHEM 052812435.mol (via Jmol)
052812456.b3lyp_6-31g(d).inp

052812456.b3lyp_6-31g(d).qchem.inp (generated)

052812456.b3lyp_6-31g(d).gjf (generated)

052812456.b3lyp_6-31g(d).firefly.inp (generated)

052812456.b3lyp_6-31g(d).smash.inp (generated)

052812456.b3lyp_6-31g(d).nwchem.inp (generated) 052812456.b3lyp_6-31g(d).log.xz 052812456.mol 052812456.PUBCHEM 052812456.mol (via Jmol)
052812782.b3lyp_6-31g(d).inp

052812782.b3lyp_6-31g(d).qchem.inp (generated)

052812782.b3lyp_6-31g(d).gjf (generated)

052812782.b3lyp_6-31g(d).firefly.inp (generated)

052812782.b3lyp_6-31g(d).smash.inp (generated)

052812782.b3lyp_6-31g(d).nwchem.inp (generated) 052812782.b3lyp_6-31g(d).log.xz 052812782.td-b3lyp_6-31g+(d).inp 052812782.td-b3lyp_6-31g+(d).log.xz

052812782.td-b3lyp_6-31+g(d).qchem.inp (generated)

052812782.td-b3lyp_6-31+g(d).gjf (generated)

052812782.td-b3lyp_6-31+g(d).firefly.inp (generated)

052812782.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052812782.mol 052812782.PUBCHEM 052812782.mol (via Jmol)
052813035.b3lyp_6-31g(d).inp

052813035.b3lyp_6-31g(d).qchem.inp (generated)

052813035.b3lyp_6-31g(d).gjf (generated)

052813035.b3lyp_6-31g(d).firefly.inp (generated)

052813035.b3lyp_6-31g(d).smash.inp (generated)

052813035.b3lyp_6-31g(d).nwchem.inp (generated) 052813035.b3lyp_6-31g(d).log.xz 052813035.td-b3lyp_6-31g+(d).inp 052813035.td-b3lyp_6-31g+(d).log.xz

052813035.td-b3lyp_6-31+g(d).qchem.inp (generated)

052813035.td-b3lyp_6-31+g(d).gjf (generated)

052813035.td-b3lyp_6-31+g(d).firefly.inp (generated)

052813035.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052813035.mol 052813035.PUBCHEM 052813035.mol (via Jmol)
052813049.b3lyp_6-31g(d).inp

052813049.b3lyp_6-31g(d).qchem.inp (generated)

052813049.b3lyp_6-31g(d).gjf (generated)

052813049.b3lyp_6-31g(d).firefly.inp (generated)

052813049.b3lyp_6-31g(d).smash.inp (generated)

052813049.b3lyp_6-31g(d).nwchem.inp (generated) 052813049.b3lyp_6-31g(d).log.xz 052813049.td-b3lyp_6-31g+(d).inp 052813049.td-b3lyp_6-31g+(d).log.xz

052813049.td-b3lyp_6-31+g(d).qchem.inp (generated)

052813049.td-b3lyp_6-31+g(d).gjf (generated)

052813049.td-b3lyp_6-31+g(d).firefly.inp (generated)

052813049.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052813049.mol 052813049.PUBCHEM 052813049.mol (via Jmol)
052813050.b3lyp_6-31g(d).inp

052813050.b3lyp_6-31g(d).qchem.inp (generated)

052813050.b3lyp_6-31g(d).gjf (generated)

052813050.b3lyp_6-31g(d).firefly.inp (generated)

052813050.b3lyp_6-31g(d).smash.inp (generated)

052813050.b3lyp_6-31g(d).nwchem.inp (generated) 052813050.b3lyp_6-31g(d).log.xz 052813050.td-b3lyp_6-31g+(d).inp 052813050.td-b3lyp_6-31g+(d).log.xz

052813050.td-b3lyp_6-31+g(d).qchem.inp (generated)

052813050.td-b3lyp_6-31+g(d).gjf (generated)

052813050.td-b3lyp_6-31+g(d).firefly.inp (generated)

052813050.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052813050.mol 052813050.PUBCHEM 052813050.mol (via Jmol)
052814240.b3lyp_6-31g(d).inp

052814240.b3lyp_6-31g(d).qchem.inp (generated)

052814240.b3lyp_6-31g(d).gjf (generated)

052814240.b3lyp_6-31g(d).firefly.inp (generated)

052814240.b3lyp_6-31g(d).smash.inp (generated)

052814240.b3lyp_6-31g(d).nwchem.inp (generated) 052814240.b3lyp_6-31g(d).log.xz 052814240.mol 052814240.PUBCHEM 052814240.mol (via Jmol)
052816281.b3lyp_6-31g(d).inp

052816281.b3lyp_6-31g(d).qchem.inp (generated)

052816281.b3lyp_6-31g(d).gjf (generated)

052816281.b3lyp_6-31g(d).firefly.inp (generated)

052816281.b3lyp_6-31g(d).smash.inp (generated)

052816281.b3lyp_6-31g(d).nwchem.inp (generated) 052816281.b3lyp_6-31g(d).log.xz 052816281.mol 052816281.PUBCHEM 052816281.mol (via Jmol)
052816282.b3lyp_6-31g(d).inp

052816282.b3lyp_6-31g(d).qchem.inp (generated)

052816282.b3lyp_6-31g(d).gjf (generated)

052816282.b3lyp_6-31g(d).firefly.inp (generated)

052816282.b3lyp_6-31g(d).smash.inp (generated)

052816282.b3lyp_6-31g(d).nwchem.inp (generated) 052816282.b3lyp_6-31g(d).log.xz 052816282.mol 052816282.PUBCHEM 052816282.mol (via Jmol)
052817598.b3lyp_6-31g(d).inp

052817598.b3lyp_6-31g(d).qchem.inp (generated)

052817598.b3lyp_6-31g(d).gjf (generated)

052817598.b3lyp_6-31g(d).firefly.inp (generated)

052817598.b3lyp_6-31g(d).smash.inp (generated)

052817598.b3lyp_6-31g(d).nwchem.inp (generated) 052817598.b3lyp_6-31g(d).log.xz 052817598.td-b3lyp_6-31g+(d).inp 052817598.td-b3lyp_6-31g+(d).log.xz

052817598.td-b3lyp_6-31+g(d).qchem.inp (generated)

052817598.td-b3lyp_6-31+g(d).gjf (generated)

052817598.td-b3lyp_6-31+g(d).firefly.inp (generated)

052817598.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052817598.mol 052817598.PUBCHEM 052817598.mol (via Jmol)
052817599.b3lyp_6-31g(d).inp

052817599.b3lyp_6-31g(d).qchem.inp (generated)

052817599.b3lyp_6-31g(d).gjf (generated)

052817599.b3lyp_6-31g(d).firefly.inp (generated)

052817599.b3lyp_6-31g(d).smash.inp (generated)

052817599.b3lyp_6-31g(d).nwchem.inp (generated) 052817599.b3lyp_6-31g(d).log.xz 052817599.td-b3lyp_6-31g+(d).inp 052817599.td-b3lyp_6-31g+(d).log.xz

052817599.td-b3lyp_6-31+g(d).qchem.inp (generated)

052817599.td-b3lyp_6-31+g(d).gjf (generated)

052817599.td-b3lyp_6-31+g(d).firefly.inp (generated)

052817599.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052817599.mol 052817599.PUBCHEM 052817599.mol (via Jmol)
052817936.b3lyp_6-31g(d).inp

052817936.b3lyp_6-31g(d).qchem.inp (generated)

052817936.b3lyp_6-31g(d).gjf (generated)

052817936.b3lyp_6-31g(d).firefly.inp (generated)

052817936.b3lyp_6-31g(d).smash.inp (generated)

052817936.b3lyp_6-31g(d).nwchem.inp (generated) 052817936.b3lyp_6-31g(d).log.xz 052817936.mol 052817936.PUBCHEM 052817936.mol (via Jmol)
052819545.b3lyp_6-31g(d).inp

052819545.b3lyp_6-31g(d).qchem.inp (generated)

052819545.b3lyp_6-31g(d).gjf (generated)

052819545.b3lyp_6-31g(d).firefly.inp (generated)

052819545.b3lyp_6-31g(d).smash.inp (generated)

052819545.b3lyp_6-31g(d).nwchem.inp (generated) 052819545.b3lyp_6-31g(d).log.xz 052819545.mol 052819545.PUBCHEM 052819545.mol (via Jmol)
052819970.b3lyp_6-31g(d).inp

052819970.b3lyp_6-31g(d).qchem.inp (generated)

052819970.b3lyp_6-31g(d).gjf (generated)

052819970.b3lyp_6-31g(d).firefly.inp (generated)

052819970.b3lyp_6-31g(d).smash.inp (generated)

052819970.b3lyp_6-31g(d).nwchem.inp (generated) 052819970.b3lyp_6-31g(d).log.xz 052819970.mol 052819970.PUBCHEM 052819970.mol (via Jmol)
052820161.b3lyp_6-31g(d).inp

052820161.b3lyp_6-31g(d).qchem.inp (generated)

052820161.b3lyp_6-31g(d).gjf (generated)

052820161.b3lyp_6-31g(d).firefly.inp (generated)

052820161.b3lyp_6-31g(d).smash.inp (generated)

052820161.b3lyp_6-31g(d).nwchem.inp (generated) 052820161.b3lyp_6-31g(d).log.xz 052820161.td-b3lyp_6-31g+(d).inp 052820161.td-b3lyp_6-31g+(d).log.xz

052820161.td-b3lyp_6-31+g(d).qchem.inp (generated)

052820161.td-b3lyp_6-31+g(d).gjf (generated)

052820161.td-b3lyp_6-31+g(d).firefly.inp (generated)

052820161.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052820161.mol 052820161.PUBCHEM 052820161.mol (via Jmol)
052820162.b3lyp_6-31g(d).inp

052820162.b3lyp_6-31g(d).qchem.inp (generated)

052820162.b3lyp_6-31g(d).gjf (generated)

052820162.b3lyp_6-31g(d).firefly.inp (generated)

052820162.b3lyp_6-31g(d).smash.inp (generated)

052820162.b3lyp_6-31g(d).nwchem.inp (generated) 052820162.b3lyp_6-31g(d).log.xz 052820162.td-b3lyp_6-31g+(d).inp 052820162.td-b3lyp_6-31g+(d).log.xz

052820162.td-b3lyp_6-31+g(d).qchem.inp (generated)

052820162.td-b3lyp_6-31+g(d).gjf (generated)

052820162.td-b3lyp_6-31+g(d).firefly.inp (generated)

052820162.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052820162.mol 052820162.PUBCHEM 052820162.mol (via Jmol)
052820223.b3lyp_6-31g(d).inp

052820223.b3lyp_6-31g(d).qchem.inp (generated)

052820223.b3lyp_6-31g(d).gjf (generated)

052820223.b3lyp_6-31g(d).firefly.inp (generated)

052820223.b3lyp_6-31g(d).smash.inp (generated)

052820223.b3lyp_6-31g(d).nwchem.inp (generated) 052820223.b3lyp_6-31g(d).log.xz 052820223.td-b3lyp_6-31g+(d).inp 052820223.td-b3lyp_6-31g+(d).log.xz

052820223.td-b3lyp_6-31+g(d).qchem.inp (generated)

052820223.td-b3lyp_6-31+g(d).gjf (generated)

052820223.td-b3lyp_6-31+g(d).firefly.inp (generated)

052820223.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052820223.mol 052820223.PUBCHEM 052820223.mol (via Jmol)
052820566.b3lyp_6-31g(d).inp

052820566.b3lyp_6-31g(d).qchem.inp (generated)

052820566.b3lyp_6-31g(d).gjf (generated)

052820566.b3lyp_6-31g(d).firefly.inp (generated)

052820566.b3lyp_6-31g(d).smash.inp (generated)

052820566.b3lyp_6-31g(d).nwchem.inp (generated) 052820566.b3lyp_6-31g(d).log.xz 052820566.td-b3lyp_6-31g+(d).inp 052820566.td-b3lyp_6-31g+(d).log.xz

052820566.td-b3lyp_6-31+g(d).qchem.inp (generated)

052820566.td-b3lyp_6-31+g(d).gjf (generated)

052820566.td-b3lyp_6-31+g(d).firefly.inp (generated)

052820566.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052820566.mol 052820566.PUBCHEM 052820566.mol (via Jmol)
052820567.b3lyp_6-31g(d).inp

052820567.b3lyp_6-31g(d).qchem.inp (generated)

052820567.b3lyp_6-31g(d).gjf (generated)

052820567.b3lyp_6-31g(d).firefly.inp (generated)

052820567.b3lyp_6-31g(d).smash.inp (generated)

052820567.b3lyp_6-31g(d).nwchem.inp (generated) 052820567.b3lyp_6-31g(d).log.xz 052820567.td-b3lyp_6-31g+(d).inp 052820567.td-b3lyp_6-31g+(d).log.xz

052820567.td-b3lyp_6-31+g(d).qchem.inp (generated)

052820567.td-b3lyp_6-31+g(d).gjf (generated)

052820567.td-b3lyp_6-31+g(d).firefly.inp (generated)

052820567.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052820567.mol 052820567.PUBCHEM 052820567.mol (via Jmol)
052821799.b3lyp_6-31g(d).inp

052821799.b3lyp_6-31g(d).qchem.inp (generated)

052821799.b3lyp_6-31g(d).gjf (generated)

052821799.b3lyp_6-31g(d).firefly.inp (generated)

052821799.b3lyp_6-31g(d).smash.inp (generated)

052821799.b3lyp_6-31g(d).nwchem.inp (generated) 052821799.b3lyp_6-31g(d).log.xz 052821799.td-b3lyp_6-31g+(d).inp 052821799.td-b3lyp_6-31g+(d).log.xz

052821799.td-b3lyp_6-31+g(d).qchem.inp (generated)

052821799.td-b3lyp_6-31+g(d).gjf (generated)

052821799.td-b3lyp_6-31+g(d).firefly.inp (generated)

052821799.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052821799.mol 052821799.PUBCHEM 052821799.mol (via Jmol)
052821910.b3lyp_6-31g(d).inp

052821910.b3lyp_6-31g(d).qchem.inp (generated)

052821910.b3lyp_6-31g(d).gjf (generated)

052821910.b3lyp_6-31g(d).firefly.inp (generated)

052821910.b3lyp_6-31g(d).smash.inp (generated)

052821910.b3lyp_6-31g(d).nwchem.inp (generated) 052821910.b3lyp_6-31g(d).log.xz 052821910.td-b3lyp_6-31g+(d).inp 052821910.td-b3lyp_6-31g+(d).log.xz

052821910.td-b3lyp_6-31+g(d).qchem.inp (generated)

052821910.td-b3lyp_6-31+g(d).gjf (generated)

052821910.td-b3lyp_6-31+g(d).firefly.inp (generated)

052821910.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052821910.mol 052821910.PUBCHEM 052821910.mol (via Jmol)
052822029.b3lyp_6-31g(d).inp

052822029.b3lyp_6-31g(d).qchem.inp (generated)

052822029.b3lyp_6-31g(d).gjf (generated)

052822029.b3lyp_6-31g(d).firefly.inp (generated)

052822029.b3lyp_6-31g(d).smash.inp (generated)

052822029.b3lyp_6-31g(d).nwchem.inp (generated) 052822029.b3lyp_6-31g(d).log.xz 052822029.td-b3lyp_6-31g+(d).inp 052822029.td-b3lyp_6-31g+(d).log.xz

052822029.td-b3lyp_6-31+g(d).qchem.inp (generated)

052822029.td-b3lyp_6-31+g(d).gjf (generated)

052822029.td-b3lyp_6-31+g(d).firefly.inp (generated)

052822029.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052822029.mol 052822029.PUBCHEM 052822029.mol (via Jmol)
052822054.b3lyp_6-31g(d).inp

052822054.b3lyp_6-31g(d).qchem.inp (generated)

052822054.b3lyp_6-31g(d).gjf (generated)

052822054.b3lyp_6-31g(d).firefly.inp (generated)

052822054.b3lyp_6-31g(d).smash.inp (generated)

052822054.b3lyp_6-31g(d).nwchem.inp (generated) 052822054.b3lyp_6-31g(d).log.xz 052822054.td-b3lyp_6-31g+(d).inp 052822054.td-b3lyp_6-31g+(d).log.xz

052822054.td-b3lyp_6-31+g(d).qchem.inp (generated)

052822054.td-b3lyp_6-31+g(d).gjf (generated)

052822054.td-b3lyp_6-31+g(d).firefly.inp (generated)

052822054.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052822054.mol 052822054.PUBCHEM 052822054.mol (via Jmol)
052822062.b3lyp_6-31g(d).inp

052822062.b3lyp_6-31g(d).qchem.inp (generated)

052822062.b3lyp_6-31g(d).gjf (generated)

052822062.b3lyp_6-31g(d).firefly.inp (generated)

052822062.b3lyp_6-31g(d).smash.inp (generated)

052822062.b3lyp_6-31g(d).nwchem.inp (generated) 052822062.b3lyp_6-31g(d).log.xz 052822062.mol 052822062.PUBCHEM 052822062.mol (via Jmol)
052822385.b3lyp_6-31g(d).inp

052822385.b3lyp_6-31g(d).qchem.inp (generated)

052822385.b3lyp_6-31g(d).gjf (generated)

052822385.b3lyp_6-31g(d).firefly.inp (generated)

052822385.b3lyp_6-31g(d).smash.inp (generated)

052822385.b3lyp_6-31g(d).nwchem.inp (generated) 052822385.b3lyp_6-31g(d).log.xz 052822385.mol 052822385.PUBCHEM 052822385.mol (via Jmol)
052822513.b3lyp_6-31g(d).inp

052822513.b3lyp_6-31g(d).qchem.inp (generated)

052822513.b3lyp_6-31g(d).gjf (generated)

052822513.b3lyp_6-31g(d).firefly.inp (generated)

052822513.b3lyp_6-31g(d).smash.inp (generated)

052822513.b3lyp_6-31g(d).nwchem.inp (generated) 052822513.b3lyp_6-31g(d).log.xz 052822513.td-b3lyp_6-31g+(d).inp 052822513.td-b3lyp_6-31g+(d).log.xz

052822513.td-b3lyp_6-31+g(d).qchem.inp (generated)

052822513.td-b3lyp_6-31+g(d).gjf (generated)

052822513.td-b3lyp_6-31+g(d).firefly.inp (generated)

052822513.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052822513.mol 052822513.PUBCHEM 052822513.mol (via Jmol)
052822565.b3lyp_6-31g(d).inp

052822565.b3lyp_6-31g(d).qchem.inp (generated)

052822565.b3lyp_6-31g(d).gjf (generated)

052822565.b3lyp_6-31g(d).firefly.inp (generated)

052822565.b3lyp_6-31g(d).smash.inp (generated)

052822565.b3lyp_6-31g(d).nwchem.inp (generated) 052822565.b3lyp_6-31g(d).log.xz 052822565.td-b3lyp_6-31g+(d).inp 052822565.td-b3lyp_6-31g+(d).log.xz

052822565.td-b3lyp_6-31+g(d).qchem.inp (generated)

052822565.td-b3lyp_6-31+g(d).gjf (generated)

052822565.td-b3lyp_6-31+g(d).firefly.inp (generated)

052822565.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052822565.mol 052822565.PUBCHEM 052822565.mol (via Jmol)
052822566.b3lyp_6-31g(d).inp

052822566.b3lyp_6-31g(d).qchem.inp (generated)

052822566.b3lyp_6-31g(d).gjf (generated)

052822566.b3lyp_6-31g(d).firefly.inp (generated)

052822566.b3lyp_6-31g(d).smash.inp (generated)

052822566.b3lyp_6-31g(d).nwchem.inp (generated) 052822566.b3lyp_6-31g(d).log.xz 052822566.td-b3lyp_6-31g+(d).inp 052822566.td-b3lyp_6-31g+(d).log.xz

052822566.td-b3lyp_6-31+g(d).qchem.inp (generated)

052822566.td-b3lyp_6-31+g(d).gjf (generated)

052822566.td-b3lyp_6-31+g(d).firefly.inp (generated)

052822566.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052822566.mol 052822566.PUBCHEM 052822566.mol (via Jmol)
052822567.b3lyp_6-31g(d).inp

052822567.b3lyp_6-31g(d).qchem.inp (generated)

052822567.b3lyp_6-31g(d).gjf (generated)

052822567.b3lyp_6-31g(d).firefly.inp (generated)

052822567.b3lyp_6-31g(d).smash.inp (generated)

052822567.b3lyp_6-31g(d).nwchem.inp (generated) 052822567.b3lyp_6-31g(d).log.xz 052822567.td-b3lyp_6-31g+(d).inp 052822567.td-b3lyp_6-31g+(d).log.xz

052822567.td-b3lyp_6-31+g(d).qchem.inp (generated)

052822567.td-b3lyp_6-31+g(d).gjf (generated)

052822567.td-b3lyp_6-31+g(d).firefly.inp (generated)

052822567.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052822567.mol 052822567.PUBCHEM 052822567.mol (via Jmol)
052822577.b3lyp_6-31g(d).inp

052822577.b3lyp_6-31g(d).qchem.inp (generated)

052822577.b3lyp_6-31g(d).gjf (generated)

052822577.b3lyp_6-31g(d).firefly.inp (generated)

052822577.b3lyp_6-31g(d).smash.inp (generated)

052822577.b3lyp_6-31g(d).nwchem.inp (generated) 052822577.b3lyp_6-31g(d).log.xz 052822577.td-b3lyp_6-31g+(d).inp 052822577.td-b3lyp_6-31g+(d).log.xz

052822577.td-b3lyp_6-31+g(d).qchem.inp (generated)

052822577.td-b3lyp_6-31+g(d).gjf (generated)

052822577.td-b3lyp_6-31+g(d).firefly.inp (generated)

052822577.td-b3lyp_6-31+g(d).nwchem.inp (generated) 052822577.mol 052822577.PUBCHEM 052822577.mol (via Jmol)
052823985.b3lyp_6-31g(d).inp

052823985.b3lyp_6-31g(d).qchem.inp (generated)

052823985.b3lyp_6-31g(d).gjf (generated)

052823985.b3lyp_6-31g(d).firefly.inp (generated)

052823985.b3lyp_6-31g(d).smash.inp (generated)

052823985.b3lyp_6-31g(d).nwchem.inp (generated) 052823985.b3lyp_6-31g(d).log.xz 052823985.mol 052823985.PUBCHEM 052823985.mol (via Jmol)
052824038.b3lyp_6-31g(d).inp

052824038.b3lyp_6-31g(d).qchem.inp (generated)

052824038.b3lyp_6-31g(d).gjf (generated)

052824038.b3lyp_6-31g(d).firefly.inp (generated)

052824038.b3lyp_6-31g(d).smash.inp (generated)

052824038.b3lyp_6-31g(d).nwchem.inp (generated) 052824038.b3lyp_6-31g(d).log.xz 052824038.mol 052824038.PUBCHEM 052824038.mol (via Jmol)


maho@riken.jp/maho.nakata@gmail.com