Index of

Last updated : Thu May 25 01:35:26 JST 2017
Total : 6304 (6129) in this page
000050002.b3lyp_6-31g(d).inp

000050002.b3lyp_6-31g(d).qchem.inp (generated)

000050002.b3lyp_6-31g(d).gjf (generated)

000050002.b3lyp_6-31g(d).firefly.inp (generated)

000050002.b3lyp_6-31g(d).smash.inp (generated)

000050002.b3lyp_6-31g(d).nwchem.inp (generated) 000050002.b3lyp_6-31g(d).log.xz 000050002.td-b3lyp_6-31g+(d).inp 000050002.td-b3lyp_6-31g+(d).log.xz

000050002.td-b3lyp_6-31+g(d).qchem.inp (generated)

000050002.td-b3lyp_6-31+g(d).gjf (generated)

000050002.td-b3lyp_6-31+g(d).firefly.inp (generated)

000050002.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000050002.mol 000050002.PUBCHEM 000050002.mol (via Jmol)
000050005.b3lyp_6-31g(d).inp

000050005.b3lyp_6-31g(d).qchem.inp (generated)

000050005.b3lyp_6-31g(d).gjf (generated)

000050005.b3lyp_6-31g(d).firefly.inp (generated)

000050005.b3lyp_6-31g(d).smash.inp (generated)

000050005.b3lyp_6-31g(d).nwchem.inp (generated) 000050005.b3lyp_6-31g(d).log.xz 000050005.td-b3lyp_6-31g+(d).inp 000050005.td-b3lyp_6-31g+(d).log.xz

000050005.td-b3lyp_6-31+g(d).qchem.inp (generated)

000050005.td-b3lyp_6-31+g(d).gjf (generated)

000050005.td-b3lyp_6-31+g(d).firefly.inp (generated)

000050005.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000050005.mol 000050005.PUBCHEM 000050005.mol (via Jmol)
000050006.b3lyp_6-31g(d).inp

000050006.b3lyp_6-31g(d).qchem.inp (generated)

000050006.b3lyp_6-31g(d).gjf (generated)

000050006.b3lyp_6-31g(d).firefly.inp (generated)

000050006.b3lyp_6-31g(d).smash.inp (generated)

000050006.b3lyp_6-31g(d).nwchem.inp (generated) 000050006.b3lyp_6-31g(d).log.xz 000050006.td-b3lyp_6-31g+(d).inp 000050006.td-b3lyp_6-31g+(d).log.xz

000050006.td-b3lyp_6-31+g(d).qchem.inp (generated)

000050006.td-b3lyp_6-31+g(d).gjf (generated)

000050006.td-b3lyp_6-31+g(d).firefly.inp (generated)

000050006.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000050006.mol 000050006.PUBCHEM 000050006.mol (via Jmol)
000050007.b3lyp_6-31g(d).inp

000050007.b3lyp_6-31g(d).qchem.inp (generated)

000050007.b3lyp_6-31g(d).gjf (generated)

000050007.b3lyp_6-31g(d).firefly.inp (generated)

000050007.b3lyp_6-31g(d).smash.inp (generated)

000050007.b3lyp_6-31g(d).nwchem.inp (generated) 000050007.b3lyp_6-31g(d).log.xz 000050007.td-b3lyp_6-31g+(d).inp 000050007.td-b3lyp_6-31g+(d).log.xz

000050007.td-b3lyp_6-31+g(d).qchem.inp (generated)

000050007.td-b3lyp_6-31+g(d).gjf (generated)

000050007.td-b3lyp_6-31+g(d).firefly.inp (generated)

000050007.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000050007.mol 000050007.PUBCHEM 000050007.mol (via Jmol)
000050008.b3lyp_6-31g(d).inp

000050008.b3lyp_6-31g(d).qchem.inp (generated)

000050008.b3lyp_6-31g(d).gjf (generated)

000050008.b3lyp_6-31g(d).firefly.inp (generated)

000050008.b3lyp_6-31g(d).smash.inp (generated)

000050008.b3lyp_6-31g(d).nwchem.inp (generated) 000050008.b3lyp_6-31g(d).log.xz 000050008.td-b3lyp_6-31g+(d).inp 000050008.td-b3lyp_6-31g+(d).log.xz

000050008.td-b3lyp_6-31+g(d).qchem.inp (generated)

000050008.td-b3lyp_6-31+g(d).gjf (generated)

000050008.td-b3lyp_6-31+g(d).firefly.inp (generated)

000050008.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000050008.mol 000050008.PUBCHEM 000050008.mol (via Jmol)
000050010.b3lyp_6-31g(d).inp

000050010.b3lyp_6-31g(d).qchem.inp (generated)

000050010.b3lyp_6-31g(d).gjf (generated)

000050010.b3lyp_6-31g(d).firefly.inp (generated)

000050010.b3lyp_6-31g(d).smash.inp (generated)

000050010.b3lyp_6-31g(d).nwchem.inp (generated) 000050010.b3lyp_6-31g(d).log.xz 000050010.td-b3lyp_6-31g+(d).inp 000050010.td-b3lyp_6-31g+(d).log.xz

000050010.td-b3lyp_6-31+g(d).qchem.inp (generated)

000050010.td-b3lyp_6-31+g(d).gjf (generated)

000050010.td-b3lyp_6-31+g(d).firefly.inp (generated)

000050010.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000050010.mol 000050010.PUBCHEM 000050010.mol (via Jmol)
000050021.b3lyp_6-31g(d).inp

000050021.b3lyp_6-31g(d).qchem.inp (generated)

000050021.b3lyp_6-31g(d).gjf (generated)

000050021.b3lyp_6-31g(d).firefly.inp (generated)

000050021.b3lyp_6-31g(d).smash.inp (generated)

000050021.b3lyp_6-31g(d).nwchem.inp (generated) 000050021.b3lyp_6-31g(d).log.xz 000050021.td-b3lyp_6-31g+(d).inp 000050021.td-b3lyp_6-31g+(d).log.xz

000050021.td-b3lyp_6-31+g(d).qchem.inp (generated)

000050021.td-b3lyp_6-31+g(d).gjf (generated)

000050021.td-b3lyp_6-31+g(d).firefly.inp (generated)

000050021.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000050021.mol 000050021.PUBCHEM 000050021.mol (via Jmol)
000050024.b3lyp_6-31g(d).inp

000050024.b3lyp_6-31g(d).qchem.inp (generated)

000050024.b3lyp_6-31g(d).gjf (generated)

000050024.b3lyp_6-31g(d).firefly.inp (generated)

000050024.b3lyp_6-31g(d).smash.inp (generated)

000050024.b3lyp_6-31g(d).nwchem.inp (generated) 000050024.b3lyp_6-31g(d).log.xz 000050024.td-b3lyp_6-31g+(d).inp 000050024.td-b3lyp_6-31g+(d).log.xz

000050024.td-b3lyp_6-31+g(d).qchem.inp (generated)

000050024.td-b3lyp_6-31+g(d).gjf (generated)

000050024.td-b3lyp_6-31+g(d).firefly.inp (generated)

000050024.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000050024.mol 000050024.PUBCHEM 000050024.mol (via Jmol)
000050030.b3lyp_6-31g(d).inp

000050030.b3lyp_6-31g(d).qchem.inp (generated)

000050030.b3lyp_6-31g(d).gjf (generated)

000050030.b3lyp_6-31g(d).firefly.inp (generated)

000050030.b3lyp_6-31g(d).smash.inp (generated)

000050030.b3lyp_6-31g(d).nwchem.inp (generated) 000050030.b3lyp_6-31g(d).log.xz 000050030.td-b3lyp_6-31g+(d).inp 000050030.td-b3lyp_6-31g+(d).log.xz

000050030.td-b3lyp_6-31+g(d).qchem.inp (generated)

000050030.td-b3lyp_6-31+g(d).gjf (generated)

000050030.td-b3lyp_6-31+g(d).firefly.inp (generated)

000050030.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000050030.mol 000050030.PUBCHEM 000050030.mol (via Jmol)
000050033.b3lyp_6-31g(d).inp

000050033.b3lyp_6-31g(d).qchem.inp (generated)

000050033.b3lyp_6-31g(d).gjf (generated)

000050033.b3lyp_6-31g(d).firefly.inp (generated)

000050033.b3lyp_6-31g(d).smash.inp (generated)

000050033.b3lyp_6-31g(d).nwchem.inp (generated) 000050033.b3lyp_6-31g(d).log.xz 000050033.td-b3lyp_6-31g+(d).inp 000050033.td-b3lyp_6-31g+(d).log.xz

000050033.td-b3lyp_6-31+g(d).qchem.inp (generated)

000050033.td-b3lyp_6-31+g(d).gjf (generated)

000050033.td-b3lyp_6-31+g(d).firefly.inp (generated)

000050033.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000050033.mol 000050033.PUBCHEM 000050033.mol (via Jmol)
000050035.b3lyp_6-31g(d).inp

000050035.b3lyp_6-31g(d).qchem.inp (generated)

000050035.b3lyp_6-31g(d).gjf (generated)

000050035.b3lyp_6-31g(d).firefly.inp (generated)

000050035.b3lyp_6-31g(d).smash.inp (generated)

000050035.b3lyp_6-31g(d).nwchem.inp (generated) 000050035.b3lyp_6-31g(d).log.xz 000050035.td-b3lyp_6-31g+(d).inp 000050035.td-b3lyp_6-31g+(d).log.xz

000050035.td-b3lyp_6-31+g(d).qchem.inp (generated)

000050035.td-b3lyp_6-31+g(d).gjf (generated)

000050035.td-b3lyp_6-31+g(d).firefly.inp (generated)

000050035.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000050035.mol 000050035.PUBCHEM 000050035.mol (via Jmol)
000050037.b3lyp_6-31g(d).inp

000050037.b3lyp_6-31g(d).qchem.inp (generated)

000050037.b3lyp_6-31g(d).gjf (generated)

000050037.b3lyp_6-31g(d).firefly.inp (generated)

000050037.b3lyp_6-31g(d).smash.inp (generated)

000050037.b3lyp_6-31g(d).nwchem.inp (generated) 000050037.b3lyp_6-31g(d).log.xz 000050037.td-b3lyp_6-31g+(d).inp 000050037.td-b3lyp_6-31g+(d).log.xz

000050037.td-b3lyp_6-31+g(d).qchem.inp (generated)

000050037.td-b3lyp_6-31+g(d).gjf (generated)

000050037.td-b3lyp_6-31+g(d).firefly.inp (generated)

000050037.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000050037.mol 000050037.PUBCHEM 000050037.mol (via Jmol)
000050090.b3lyp_6-31g(d).inp

000050090.b3lyp_6-31g(d).qchem.inp (generated)

000050090.b3lyp_6-31g(d).gjf (generated)

000050090.b3lyp_6-31g(d).firefly.inp (generated)

000050090.b3lyp_6-31g(d).smash.inp (generated)

000050090.b3lyp_6-31g(d).nwchem.inp (generated) 000050090.b3lyp_6-31g(d).log.xz 000050090.td-b3lyp_6-31g+(d).inp 000050090.td-b3lyp_6-31g+(d).log.xz

000050090.td-b3lyp_6-31+g(d).qchem.inp (generated)

000050090.td-b3lyp_6-31+g(d).gjf (generated)

000050090.td-b3lyp_6-31+g(d).firefly.inp (generated)

000050090.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000050090.mol 000050090.PUBCHEM 000050090.mol (via Jmol)
000050098.b3lyp_6-31g(d).inp

000050098.b3lyp_6-31g(d).qchem.inp (generated)

000050098.b3lyp_6-31g(d).gjf (generated)

000050098.b3lyp_6-31g(d).firefly.inp (generated)

000050098.b3lyp_6-31g(d).smash.inp (generated)

000050098.b3lyp_6-31g(d).nwchem.inp (generated) 000050098.b3lyp_6-31g(d).log.xz 000050098.td-b3lyp_6-31g+(d).inp 000050098.td-b3lyp_6-31g+(d).log.xz

000050098.td-b3lyp_6-31+g(d).qchem.inp (generated)

000050098.td-b3lyp_6-31+g(d).gjf (generated)

000050098.td-b3lyp_6-31+g(d).firefly.inp (generated)

000050098.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000050098.mol 000050098.PUBCHEM 000050098.mol (via Jmol)
000050106.b3lyp_6-31g(d).inp

000050106.b3lyp_6-31g(d).qchem.inp (generated)

000050106.b3lyp_6-31g(d).gjf (generated)

000050106.b3lyp_6-31g(d).firefly.inp (generated)

000050106.b3lyp_6-31g(d).smash.inp (generated)

000050106.b3lyp_6-31g(d).nwchem.inp (generated) 000050106.b3lyp_6-31g(d).log.xz 000050106.td-b3lyp_6-31g+(d).inp 000050106.td-b3lyp_6-31g+(d).log.xz

000050106.td-b3lyp_6-31+g(d).qchem.inp (generated)

000050106.td-b3lyp_6-31+g(d).gjf (generated)

000050106.td-b3lyp_6-31+g(d).firefly.inp (generated)

000050106.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000050106.mol 000050106.PUBCHEM 000050106.mol (via Jmol)
000050132.b3lyp_6-31g(d).inp

000050132.b3lyp_6-31g(d).qchem.inp (generated)

000050132.b3lyp_6-31g(d).gjf (generated)

000050132.b3lyp_6-31g(d).firefly.inp (generated)

000050132.b3lyp_6-31g(d).smash.inp (generated)

000050132.b3lyp_6-31g(d).nwchem.inp (generated) 000050132.b3lyp_6-31g(d).log.xz 000050132.td-b3lyp_6-31g+(d).inp 000050132.td-b3lyp_6-31g+(d).log.xz

000050132.td-b3lyp_6-31+g(d).qchem.inp (generated)

000050132.td-b3lyp_6-31+g(d).gjf (generated)

000050132.td-b3lyp_6-31+g(d).firefly.inp (generated)

000050132.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000050132.mol 000050132.PUBCHEM 000050132.mol (via Jmol)
000050146.b3lyp_6-31g(d).inp

000050146.b3lyp_6-31g(d).qchem.inp (generated)

000050146.b3lyp_6-31g(d).gjf (generated)

000050146.b3lyp_6-31g(d).firefly.inp (generated)

000050146.b3lyp_6-31g(d).smash.inp (generated)

000050146.b3lyp_6-31g(d).nwchem.inp (generated) 000050146.b3lyp_6-31g(d).log.xz 000050146.td-b3lyp_6-31g+(d).inp 000050146.td-b3lyp_6-31g+(d).log.xz

000050146.td-b3lyp_6-31+g(d).qchem.inp (generated)

000050146.td-b3lyp_6-31+g(d).gjf (generated)

000050146.td-b3lyp_6-31+g(d).firefly.inp (generated)

000050146.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000050146.mol 000050146.PUBCHEM 000050146.mol (via Jmol)
000050165.b3lyp_6-31g(d).inp

000050165.b3lyp_6-31g(d).qchem.inp (generated)

000050165.b3lyp_6-31g(d).gjf (generated)

000050165.b3lyp_6-31g(d).firefly.inp (generated)

000050165.b3lyp_6-31g(d).smash.inp (generated)

000050165.b3lyp_6-31g(d).nwchem.inp (generated) 000050165.b3lyp_6-31g(d).log.xz 000050165.td-b3lyp_6-31g+(d).inp 000050165.td-b3lyp_6-31g+(d).log.xz

000050165.td-b3lyp_6-31+g(d).qchem.inp (generated)

000050165.td-b3lyp_6-31+g(d).gjf (generated)

000050165.td-b3lyp_6-31+g(d).firefly.inp (generated)

000050165.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000050165.mol 000050165.PUBCHEM 000050165.mol (via Jmol)
000050193.b3lyp_6-31g(d).inp

000050193.b3lyp_6-31g(d).qchem.inp (generated)

000050193.b3lyp_6-31g(d).gjf (generated)

000050193.b3lyp_6-31g(d).firefly.inp (generated)

000050193.b3lyp_6-31g(d).smash.inp (generated)

000050193.b3lyp_6-31g(d).nwchem.inp (generated) 000050193.b3lyp_6-31g(d).log.xz 000050193.td-b3lyp_6-31g+(d).inp 000050193.td-b3lyp_6-31g+(d).log.xz

000050193.td-b3lyp_6-31+g(d).qchem.inp (generated)

000050193.td-b3lyp_6-31+g(d).gjf (generated)

000050193.td-b3lyp_6-31+g(d).firefly.inp (generated)

000050193.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000050193.mol 000050193.PUBCHEM 000050193.mol (via Jmol)
000050199.b3lyp_6-31g(d).inp

000050199.b3lyp_6-31g(d).qchem.inp (generated)

000050199.b3lyp_6-31g(d).gjf (generated)

000050199.b3lyp_6-31g(d).firefly.inp (generated)

000050199.b3lyp_6-31g(d).smash.inp (generated)

000050199.b3lyp_6-31g(d).nwchem.inp (generated) 000050199.b3lyp_6-31g(d).log.xz 000050199.td-b3lyp_6-31g+(d).inp 000050199.td-b3lyp_6-31g+(d).log.xz

000050199.td-b3lyp_6-31+g(d).qchem.inp (generated)

000050199.td-b3lyp_6-31+g(d).gjf (generated)

000050199.td-b3lyp_6-31+g(d).firefly.inp (generated)

000050199.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000050199.mol 000050199.PUBCHEM 000050199.mol (via Jmol)
000050202.b3lyp_6-31g(d).inp

000050202.b3lyp_6-31g(d).qchem.inp (generated)

000050202.b3lyp_6-31g(d).gjf (generated)

000050202.b3lyp_6-31g(d).firefly.inp (generated)

000050202.b3lyp_6-31g(d).smash.inp (generated)

000050202.b3lyp_6-31g(d).nwchem.inp (generated) 000050202.b3lyp_6-31g(d).log.xz 000050202.td-b3lyp_6-31g+(d).inp 000050202.td-b3lyp_6-31g+(d).log.xz

000050202.td-b3lyp_6-31+g(d).qchem.inp (generated)

000050202.td-b3lyp_6-31+g(d).gjf (generated)

000050202.td-b3lyp_6-31+g(d).firefly.inp (generated)

000050202.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000050202.mol 000050202.PUBCHEM 000050202.mol (via Jmol)
000050216.b3lyp_6-31g(d).inp

000050216.b3lyp_6-31g(d).qchem.inp (generated)

000050216.b3lyp_6-31g(d).gjf (generated)

000050216.b3lyp_6-31g(d).firefly.inp (generated)

000050216.b3lyp_6-31g(d).smash.inp (generated)

000050216.b3lyp_6-31g(d).nwchem.inp (generated) 000050216.b3lyp_6-31g(d).log.xz 000050216.td-b3lyp_6-31g+(d).inp 000050216.td-b3lyp_6-31g+(d).log.xz

000050216.td-b3lyp_6-31+g(d).qchem.inp (generated)

000050216.td-b3lyp_6-31+g(d).gjf (generated)

000050216.td-b3lyp_6-31+g(d).firefly.inp (generated)

000050216.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000050216.mol 000050216.PUBCHEM 000050216.mol (via Jmol)
000050223.b3lyp_6-31g(d).inp

000050223.b3lyp_6-31g(d).qchem.inp (generated)

000050223.b3lyp_6-31g(d).gjf (generated)

000050223.b3lyp_6-31g(d).firefly.inp (generated)

000050223.b3lyp_6-31g(d).smash.inp (generated)

000050223.b3lyp_6-31g(d).nwchem.inp (generated) 000050223.b3lyp_6-31g(d).log.xz 000050223.td-b3lyp_6-31g+(d).inp 000050223.td-b3lyp_6-31g+(d).log.xz

000050223.td-b3lyp_6-31+g(d).qchem.inp (generated)

000050223.td-b3lyp_6-31+g(d).gjf (generated)

000050223.td-b3lyp_6-31+g(d).firefly.inp (generated)

000050223.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000050223.mol 000050223.PUBCHEM 000050223.mol (via Jmol)
000050230.b3lyp_6-31g(d).inp

000050230.b3lyp_6-31g(d).qchem.inp (generated)

000050230.b3lyp_6-31g(d).gjf (generated)

000050230.b3lyp_6-31g(d).firefly.inp (generated)

000050230.b3lyp_6-31g(d).smash.inp (generated)

000050230.b3lyp_6-31g(d).nwchem.inp (generated) 000050230.b3lyp_6-31g(d).log.xz 000050230.td-b3lyp_6-31g+(d).inp 000050230.td-b3lyp_6-31g+(d).log.xz

000050230.td-b3lyp_6-31+g(d).qchem.inp (generated)

000050230.td-b3lyp_6-31+g(d).gjf (generated)

000050230.td-b3lyp_6-31+g(d).firefly.inp (generated)

000050230.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000050230.mol 000050230.PUBCHEM 000050230.mol (via Jmol)
000050231.b3lyp_6-31g(d).inp

000050231.b3lyp_6-31g(d).qchem.inp (generated)

000050231.b3lyp_6-31g(d).gjf (generated)

000050231.b3lyp_6-31g(d).firefly.inp (generated)

000050231.b3lyp_6-31g(d).smash.inp (generated)

000050231.b3lyp_6-31g(d).nwchem.inp (generated) 000050231.b3lyp_6-31g(d).log.xz 000050231.td-b3lyp_6-31g+(d).inp 000050231.td-b3lyp_6-31g+(d).log.xz

000050231.td-b3lyp_6-31+g(d).qchem.inp (generated)

000050231.td-b3lyp_6-31+g(d).gjf (generated)

000050231.td-b3lyp_6-31+g(d).firefly.inp (generated)

000050231.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000050231.mol 000050231.PUBCHEM 000050231.mol (via Jmol)
000050232.b3lyp_6-31g(d).inp

000050232.b3lyp_6-31g(d).qchem.inp (generated)

000050232.b3lyp_6-31g(d).gjf (generated)

000050232.b3lyp_6-31g(d).firefly.inp (generated)

000050232.b3lyp_6-31g(d).smash.inp (generated)

000050232.b3lyp_6-31g(d).nwchem.inp (generated) 000050232.b3lyp_6-31g(d).log.xz 000050232.td-b3lyp_6-31g+(d).inp 000050232.td-b3lyp_6-31g+(d).log.xz

000050232.td-b3lyp_6-31+g(d).qchem.inp (generated)

000050232.td-b3lyp_6-31+g(d).gjf (generated)

000050232.td-b3lyp_6-31+g(d).firefly.inp (generated)

000050232.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000050232.mol 000050232.PUBCHEM 000050232.mol (via Jmol)
000050233.b3lyp_6-31g(d).inp

000050233.b3lyp_6-31g(d).qchem.inp (generated)

000050233.b3lyp_6-31g(d).gjf (generated)

000050233.b3lyp_6-31g(d).firefly.inp (generated)

000050233.b3lyp_6-31g(d).smash.inp (generated)

000050233.b3lyp_6-31g(d).nwchem.inp (generated) 000050233.b3lyp_6-31g(d).log.xz 000050233.td-b3lyp_6-31g+(d).inp 000050233.td-b3lyp_6-31g+(d).log.xz

000050233.td-b3lyp_6-31+g(d).qchem.inp (generated)

000050233.td-b3lyp_6-31+g(d).gjf (generated)

000050233.td-b3lyp_6-31+g(d).firefly.inp (generated)

000050233.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000050233.mol 000050233.PUBCHEM 000050233.mol (via Jmol)
000050234.b3lyp_6-31g(d).inp

000050234.b3lyp_6-31g(d).qchem.inp (generated)

000050234.b3lyp_6-31g(d).gjf (generated)

000050234.b3lyp_6-31g(d).firefly.inp (generated)

000050234.b3lyp_6-31g(d).smash.inp (generated)

000050234.b3lyp_6-31g(d).nwchem.inp (generated) 000050234.b3lyp_6-31g(d).log.xz 000050234.td-b3lyp_6-31g+(d).inp 000050234.td-b3lyp_6-31g+(d).log.xz

000050234.td-b3lyp_6-31+g(d).qchem.inp (generated)

000050234.td-b3lyp_6-31+g(d).gjf (generated)

000050234.td-b3lyp_6-31+g(d).firefly.inp (generated)

000050234.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000050234.mol 000050234.PUBCHEM 000050234.mol (via Jmol)
000050241.b3lyp_6-31g(d).inp

000050241.b3lyp_6-31g(d).qchem.inp (generated)

000050241.b3lyp_6-31g(d).gjf (generated)

000050241.b3lyp_6-31g(d).firefly.inp (generated)

000050241.b3lyp_6-31g(d).smash.inp (generated)

000050241.b3lyp_6-31g(d).nwchem.inp (generated) 000050241.b3lyp_6-31g(d).log.xz 000050241.td-b3lyp_6-31g+(d).inp 000050241.td-b3lyp_6-31g+(d).log.xz

000050241.td-b3lyp_6-31+g(d).qchem.inp (generated)

000050241.td-b3lyp_6-31+g(d).gjf (generated)

000050241.td-b3lyp_6-31+g(d).firefly.inp (generated)

000050241.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000050241.mol 000050241.PUBCHEM 000050241.mol (via Jmol)
000050255.b3lyp_6-31g(d).inp

000050255.b3lyp_6-31g(d).qchem.inp (generated)

000050255.b3lyp_6-31g(d).gjf (generated)

000050255.b3lyp_6-31g(d).firefly.inp (generated)

000050255.b3lyp_6-31g(d).smash.inp (generated)

000050255.b3lyp_6-31g(d).nwchem.inp (generated) 000050255.b3lyp_6-31g(d).log.xz 000050255.td-b3lyp_6-31g+(d).inp 000050255.td-b3lyp_6-31g+(d).log.xz

000050255.td-b3lyp_6-31+g(d).qchem.inp (generated)

000050255.td-b3lyp_6-31+g(d).gjf (generated)

000050255.td-b3lyp_6-31+g(d).firefly.inp (generated)

000050255.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000050255.mol 000050255.PUBCHEM 000050255.mol (via Jmol)
000050259.b3lyp_6-31g(d).inp

000050259.b3lyp_6-31g(d).qchem.inp (generated)

000050259.b3lyp_6-31g(d).gjf (generated)

000050259.b3lyp_6-31g(d).firefly.inp (generated)

000050259.b3lyp_6-31g(d).smash.inp (generated)

000050259.b3lyp_6-31g(d).nwchem.inp (generated) 000050259.b3lyp_6-31g(d).log.xz 000050259.td-b3lyp_6-31g+(d).inp 000050259.td-b3lyp_6-31g+(d).log.xz

000050259.td-b3lyp_6-31+g(d).qchem.inp (generated)

000050259.td-b3lyp_6-31+g(d).gjf (generated)

000050259.td-b3lyp_6-31+g(d).firefly.inp (generated)

000050259.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000050259.mol 000050259.PUBCHEM 000050259.mol (via Jmol)
000050262.b3lyp_6-31g(d).inp

000050262.b3lyp_6-31g(d).qchem.inp (generated)

000050262.b3lyp_6-31g(d).gjf (generated)

000050262.b3lyp_6-31g(d).firefly.inp (generated)

000050262.b3lyp_6-31g(d).smash.inp (generated)

000050262.b3lyp_6-31g(d).nwchem.inp (generated) 000050262.b3lyp_6-31g(d).log.xz 000050262.td-b3lyp_6-31g+(d).inp 000050262.td-b3lyp_6-31g+(d).log.xz

000050262.td-b3lyp_6-31+g(d).qchem.inp (generated)

000050262.td-b3lyp_6-31+g(d).gjf (generated)

000050262.td-b3lyp_6-31+g(d).firefly.inp (generated)

000050262.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000050262.mol 000050262.PUBCHEM 000050262.mol (via Jmol)
000050281.b3lyp_6-31g(d).inp

000050281.b3lyp_6-31g(d).qchem.inp (generated)

000050281.b3lyp_6-31g(d).gjf (generated)

000050281.b3lyp_6-31g(d).firefly.inp (generated)

000050281.b3lyp_6-31g(d).smash.inp (generated)

000050281.b3lyp_6-31g(d).nwchem.inp (generated) 000050281.b3lyp_6-31g(d).log.xz 000050281.td-b3lyp_6-31g+(d).inp 000050281.td-b3lyp_6-31g+(d).log.xz

000050281.td-b3lyp_6-31+g(d).qchem.inp (generated)

000050281.td-b3lyp_6-31+g(d).gjf (generated)

000050281.td-b3lyp_6-31+g(d).firefly.inp (generated)

000050281.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000050281.mol 000050281.PUBCHEM 000050281.mol (via Jmol)
000050282.b3lyp_6-31g(d).inp

000050282.b3lyp_6-31g(d).qchem.inp (generated)

000050282.b3lyp_6-31g(d).gjf (generated)

000050282.b3lyp_6-31g(d).firefly.inp (generated)

000050282.b3lyp_6-31g(d).smash.inp (generated)

000050282.b3lyp_6-31g(d).nwchem.inp (generated) 000050282.b3lyp_6-31g(d).log.xz 000050282.td-b3lyp_6-31g+(d).inp 000050282.td-b3lyp_6-31g+(d).log.xz

000050282.td-b3lyp_6-31+g(d).qchem.inp (generated)

000050282.td-b3lyp_6-31+g(d).gjf (generated)

000050282.td-b3lyp_6-31+g(d).firefly.inp (generated)

000050282.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000050282.mol 000050282.PUBCHEM 000050282.mol (via Jmol)
000050293.b3lyp_6-31g(d).inp

000050293.b3lyp_6-31g(d).qchem.inp (generated)

000050293.b3lyp_6-31g(d).gjf (generated)

000050293.b3lyp_6-31g(d).firefly.inp (generated)

000050293.b3lyp_6-31g(d).smash.inp (generated)

000050293.b3lyp_6-31g(d).nwchem.inp (generated) 000050293.b3lyp_6-31g(d).log.xz 000050293.td-b3lyp_6-31g+(d).inp 000050293.td-b3lyp_6-31g+(d).log.xz

000050293.td-b3lyp_6-31+g(d).qchem.inp (generated)

000050293.td-b3lyp_6-31+g(d).gjf (generated)

000050293.td-b3lyp_6-31+g(d).firefly.inp (generated)

000050293.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000050293.mol 000050293.PUBCHEM 000050293.mol (via Jmol)
000050296.b3lyp_6-31g(d).inp

000050296.b3lyp_6-31g(d).qchem.inp (generated)

000050296.b3lyp_6-31g(d).gjf (generated)

000050296.b3lyp_6-31g(d).firefly.inp (generated)

000050296.b3lyp_6-31g(d).smash.inp (generated)

000050296.b3lyp_6-31g(d).nwchem.inp (generated) 000050296.b3lyp_6-31g(d).log.xz 000050296.td-b3lyp_6-31g+(d).inp 000050296.td-b3lyp_6-31g+(d).log.xz

000050296.td-b3lyp_6-31+g(d).qchem.inp (generated)

000050296.td-b3lyp_6-31+g(d).gjf (generated)

000050296.td-b3lyp_6-31+g(d).firefly.inp (generated)

000050296.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000050296.mol 000050296.PUBCHEM 000050296.mol (via Jmol)
000050297.b3lyp_6-31g(d).inp

000050297.b3lyp_6-31g(d).qchem.inp (generated)

000050297.b3lyp_6-31g(d).gjf (generated)

000050297.b3lyp_6-31g(d).firefly.inp (generated)

000050297.b3lyp_6-31g(d).smash.inp (generated)

000050297.b3lyp_6-31g(d).nwchem.inp (generated) 000050297.b3lyp_6-31g(d).log.xz 000050297.td-b3lyp_6-31g+(d).inp 000050297.td-b3lyp_6-31g+(d).log.xz

000050297.td-b3lyp_6-31+g(d).qchem.inp (generated)

000050297.td-b3lyp_6-31+g(d).gjf (generated)

000050297.td-b3lyp_6-31+g(d).firefly.inp (generated)

000050297.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000050297.mol 000050297.PUBCHEM 000050297.mol (via Jmol)
000050311.b3lyp_6-31g(d).inp

000050311.b3lyp_6-31g(d).qchem.inp (generated)

000050311.b3lyp_6-31g(d).gjf (generated)

000050311.b3lyp_6-31g(d).firefly.inp (generated)

000050311.b3lyp_6-31g(d).smash.inp (generated)

000050311.b3lyp_6-31g(d).nwchem.inp (generated) 000050311.b3lyp_6-31g(d).log.xz 000050311.td-b3lyp_6-31g+(d).inp 000050311.td-b3lyp_6-31g+(d).log.xz

000050311.td-b3lyp_6-31+g(d).qchem.inp (generated)

000050311.td-b3lyp_6-31+g(d).gjf (generated)

000050311.td-b3lyp_6-31+g(d).firefly.inp (generated)

000050311.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000050311.mol 000050311.PUBCHEM 000050311.mol (via Jmol)
000050315.b3lyp_6-31g(d).inp

000050315.b3lyp_6-31g(d).qchem.inp (generated)

000050315.b3lyp_6-31g(d).gjf (generated)

000050315.b3lyp_6-31g(d).firefly.inp (generated)

000050315.b3lyp_6-31g(d).smash.inp (generated)

000050315.b3lyp_6-31g(d).nwchem.inp (generated) 000050315.b3lyp_6-31g(d).log.xz 000050315.td-b3lyp_6-31g+(d).inp 000050315.td-b3lyp_6-31g+(d).log.xz

000050315.td-b3lyp_6-31+g(d).qchem.inp (generated)

000050315.td-b3lyp_6-31+g(d).gjf (generated)

000050315.td-b3lyp_6-31+g(d).firefly.inp (generated)

000050315.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000050315.mol 000050315.PUBCHEM 000050315.mol (via Jmol)
000050316.b3lyp_6-31g(d).inp

000050316.b3lyp_6-31g(d).qchem.inp (generated)

000050316.b3lyp_6-31g(d).gjf (generated)

000050316.b3lyp_6-31g(d).firefly.inp (generated)

000050316.b3lyp_6-31g(d).smash.inp (generated)

000050316.b3lyp_6-31g(d).nwchem.inp (generated) 000050316.b3lyp_6-31g(d).log.xz 000050316.td-b3lyp_6-31g+(d).inp 000050316.td-b3lyp_6-31g+(d).log.xz

000050316.td-b3lyp_6-31+g(d).qchem.inp (generated)

000050316.td-b3lyp_6-31+g(d).gjf (generated)

000050316.td-b3lyp_6-31+g(d).firefly.inp (generated)

000050316.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000050316.mol 000050316.PUBCHEM 000050316.mol (via Jmol)
000050330.b3lyp_6-31g(d).inp

000050330.b3lyp_6-31g(d).qchem.inp (generated)

000050330.b3lyp_6-31g(d).gjf (generated)

000050330.b3lyp_6-31g(d).firefly.inp (generated)

000050330.b3lyp_6-31g(d).smash.inp (generated)

000050330.b3lyp_6-31g(d).nwchem.inp (generated) 000050330.b3lyp_6-31g(d).log.xz 000050330.td-b3lyp_6-31g+(d).inp 000050330.td-b3lyp_6-31g+(d).log.xz

000050330.td-b3lyp_6-31+g(d).qchem.inp (generated)

000050330.td-b3lyp_6-31+g(d).gjf (generated)

000050330.td-b3lyp_6-31+g(d).firefly.inp (generated)

000050330.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000050330.mol 000050330.PUBCHEM 000050330.mol (via Jmol)
000050331.b3lyp_6-31g(d).inp

000050331.b3lyp_6-31g(d).qchem.inp (generated)

000050331.b3lyp_6-31g(d).gjf (generated)

000050331.b3lyp_6-31g(d).firefly.inp (generated)

000050331.b3lyp_6-31g(d).smash.inp (generated)

000050331.b3lyp_6-31g(d).nwchem.inp (generated) 000050331.b3lyp_6-31g(d).log.xz 000050331.td-b3lyp_6-31g+(d).inp 000050331.td-b3lyp_6-31g+(d).log.xz

000050331.td-b3lyp_6-31+g(d).qchem.inp (generated)

000050331.td-b3lyp_6-31+g(d).gjf (generated)

000050331.td-b3lyp_6-31+g(d).firefly.inp (generated)

000050331.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000050331.mol 000050331.PUBCHEM 000050331.mol (via Jmol)
000050332.b3lyp_6-31g(d).inp

000050332.b3lyp_6-31g(d).qchem.inp (generated)

000050332.b3lyp_6-31g(d).gjf (generated)

000050332.b3lyp_6-31g(d).firefly.inp (generated)

000050332.b3lyp_6-31g(d).smash.inp (generated)

000050332.b3lyp_6-31g(d).nwchem.inp (generated) 000050332.b3lyp_6-31g(d).log.xz 000050332.td-b3lyp_6-31g+(d).inp 000050332.td-b3lyp_6-31g+(d).log.xz

000050332.td-b3lyp_6-31+g(d).qchem.inp (generated)

000050332.td-b3lyp_6-31+g(d).gjf (generated)

000050332.td-b3lyp_6-31+g(d).firefly.inp (generated)

000050332.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000050332.mol 000050332.PUBCHEM 000050332.mol (via Jmol)
000050350.b3lyp_6-31g(d).inp

000050350.b3lyp_6-31g(d).qchem.inp (generated)

000050350.b3lyp_6-31g(d).gjf (generated)

000050350.b3lyp_6-31g(d).firefly.inp (generated)

000050350.b3lyp_6-31g(d).smash.inp (generated)

000050350.b3lyp_6-31g(d).nwchem.inp (generated) 000050350.b3lyp_6-31g(d).log.xz 000050350.td-b3lyp_6-31g+(d).inp 000050350.td-b3lyp_6-31g+(d).log.xz

000050350.td-b3lyp_6-31+g(d).qchem.inp (generated)

000050350.td-b3lyp_6-31+g(d).gjf (generated)

000050350.td-b3lyp_6-31+g(d).firefly.inp (generated)

000050350.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000050350.mol 000050350.PUBCHEM 000050350.mol (via Jmol)
000050354.b3lyp_6-31g(d).inp

000050354.b3lyp_6-31g(d).qchem.inp (generated)

000050354.b3lyp_6-31g(d).gjf (generated)

000050354.b3lyp_6-31g(d).firefly.inp (generated)

000050354.b3lyp_6-31g(d).smash.inp (generated)

000050354.b3lyp_6-31g(d).nwchem.inp (generated) 000050354.b3lyp_6-31g(d).log.xz 000050354.td-b3lyp_6-31g+(d).inp 000050354.td-b3lyp_6-31g+(d).log.xz

000050354.td-b3lyp_6-31+g(d).qchem.inp (generated)

000050354.td-b3lyp_6-31+g(d).gjf (generated)

000050354.td-b3lyp_6-31+g(d).firefly.inp (generated)

000050354.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000050354.mol 000050354.PUBCHEM 000050354.mol (via Jmol)
000050359.b3lyp_6-31g(d).inp

000050359.b3lyp_6-31g(d).qchem.inp (generated)

000050359.b3lyp_6-31g(d).gjf (generated)

000050359.b3lyp_6-31g(d).firefly.inp (generated)

000050359.b3lyp_6-31g(d).smash.inp (generated)

000050359.b3lyp_6-31g(d).nwchem.inp (generated) 000050359.b3lyp_6-31g(d).log.xz 000050359.td-b3lyp_6-31g+(d).inp 000050359.td-b3lyp_6-31g+(d).log.xz

000050359.td-b3lyp_6-31+g(d).qchem.inp (generated)

000050359.td-b3lyp_6-31+g(d).gjf (generated)

000050359.td-b3lyp_6-31+g(d).firefly.inp (generated)

000050359.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000050359.mol 000050359.PUBCHEM 000050359.mol (via Jmol)
000050360.b3lyp_6-31g(d).inp

000050360.b3lyp_6-31g(d).qchem.inp (generated)

000050360.b3lyp_6-31g(d).gjf (generated)

000050360.b3lyp_6-31g(d).firefly.inp (generated)

000050360.b3lyp_6-31g(d).smash.inp (generated)

000050360.b3lyp_6-31g(d).nwchem.inp (generated) 000050360.b3lyp_6-31g(d).log.xz 000050360.td-b3lyp_6-31g+(d).inp 000050360.td-b3lyp_6-31g+(d).log.xz

000050360.td-b3lyp_6-31+g(d).qchem.inp (generated)

000050360.td-b3lyp_6-31+g(d).gjf (generated)

000050360.td-b3lyp_6-31+g(d).firefly.inp (generated)

000050360.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000050360.mol 000050360.PUBCHEM 000050360.mol (via Jmol)
000050363.b3lyp_6-31g(d).inp

000050363.b3lyp_6-31g(d).qchem.inp (generated)

000050363.b3lyp_6-31g(d).gjf (generated)

000050363.b3lyp_6-31g(d).firefly.inp (generated)

000050363.b3lyp_6-31g(d).smash.inp (generated)

000050363.b3lyp_6-31g(d).nwchem.inp (generated) 000050363.b3lyp_6-31g(d).log.xz 000050363.td-b3lyp_6-31g+(d).inp 000050363.td-b3lyp_6-31g+(d).log.xz

000050363.td-b3lyp_6-31+g(d).qchem.inp (generated)

000050363.td-b3lyp_6-31+g(d).gjf (generated)

000050363.td-b3lyp_6-31+g(d).firefly.inp (generated)

000050363.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000050363.mol 000050363.PUBCHEM 000050363.mol (via Jmol)
000050374.b3lyp_6-31g(d).inp

000050374.b3lyp_6-31g(d).qchem.inp (generated)

000050374.b3lyp_6-31g(d).gjf (generated)

000050374.b3lyp_6-31g(d).firefly.inp (generated)

000050374.b3lyp_6-31g(d).smash.inp (generated)

000050374.b3lyp_6-31g(d).nwchem.inp (generated) 000050374.b3lyp_6-31g(d).log.xz 000050374.td-b3lyp_6-31g+(d).inp 000050374.td-b3lyp_6-31g+(d).log.xz

000050374.td-b3lyp_6-31+g(d).qchem.inp (generated)

000050374.td-b3lyp_6-31+g(d).gjf (generated)

000050374.td-b3lyp_6-31+g(d).firefly.inp (generated)

000050374.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000050374.mol 000050374.PUBCHEM 000050374.mol (via Jmol)
000050378.b3lyp_6-31g(d).inp

000050378.b3lyp_6-31g(d).qchem.inp (generated)

000050378.b3lyp_6-31g(d).gjf (generated)

000050378.b3lyp_6-31g(d).firefly.inp (generated)

000050378.b3lyp_6-31g(d).smash.inp (generated)

000050378.b3lyp_6-31g(d).nwchem.inp (generated) 000050378.b3lyp_6-31g(d).log.xz 000050378.td-b3lyp_6-31g+(d).inp 000050378.td-b3lyp_6-31g+(d).log.xz

000050378.td-b3lyp_6-31+g(d).qchem.inp (generated)

000050378.td-b3lyp_6-31+g(d).gjf (generated)

000050378.td-b3lyp_6-31+g(d).firefly.inp (generated)

000050378.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000050378.mol 000050378.PUBCHEM 000050378.mol (via Jmol)
000050379.b3lyp_6-31g(d).inp

000050379.b3lyp_6-31g(d).qchem.inp (generated)

000050379.b3lyp_6-31g(d).gjf (generated)

000050379.b3lyp_6-31g(d).firefly.inp (generated)

000050379.b3lyp_6-31g(d).smash.inp (generated)

000050379.b3lyp_6-31g(d).nwchem.inp (generated) 000050379.b3lyp_6-31g(d).log.xz 000050379.td-b3lyp_6-31g+(d).inp 000050379.td-b3lyp_6-31g+(d).log.xz

000050379.td-b3lyp_6-31+g(d).qchem.inp (generated)

000050379.td-b3lyp_6-31+g(d).gjf (generated)

000050379.td-b3lyp_6-31+g(d).firefly.inp (generated)

000050379.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000050379.mol 000050379.PUBCHEM 000050379.mol (via Jmol)
000050386.b3lyp_6-31g(d).inp

000050386.b3lyp_6-31g(d).qchem.inp (generated)

000050386.b3lyp_6-31g(d).gjf (generated)

000050386.b3lyp_6-31g(d).firefly.inp (generated)

000050386.b3lyp_6-31g(d).smash.inp (generated)

000050386.b3lyp_6-31g(d).nwchem.inp (generated) 000050386.b3lyp_6-31g(d).log.xz 000050386.td-b3lyp_6-31g+(d).inp 000050386.td-b3lyp_6-31g+(d).log.xz

000050386.td-b3lyp_6-31+g(d).qchem.inp (generated)

000050386.td-b3lyp_6-31+g(d).gjf (generated)

000050386.td-b3lyp_6-31+g(d).firefly.inp (generated)

000050386.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000050386.mol 000050386.PUBCHEM 000050386.mol (via Jmol)
000050397.b3lyp_6-31g(d).inp

000050397.b3lyp_6-31g(d).qchem.inp (generated)

000050397.b3lyp_6-31g(d).gjf (generated)

000050397.b3lyp_6-31g(d).firefly.inp (generated)

000050397.b3lyp_6-31g(d).smash.inp (generated)

000050397.b3lyp_6-31g(d).nwchem.inp (generated) 000050397.b3lyp_6-31g(d).log.xz 000050397.td-b3lyp_6-31g+(d).inp 000050397.td-b3lyp_6-31g+(d).log.xz

000050397.td-b3lyp_6-31+g(d).qchem.inp (generated)

000050397.td-b3lyp_6-31+g(d).gjf (generated)

000050397.td-b3lyp_6-31+g(d).firefly.inp (generated)

000050397.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000050397.mol 000050397.PUBCHEM 000050397.mol (via Jmol)
000050398.b3lyp_6-31g(d).inp

000050398.b3lyp_6-31g(d).qchem.inp (generated)

000050398.b3lyp_6-31g(d).gjf (generated)

000050398.b3lyp_6-31g(d).firefly.inp (generated)

000050398.b3lyp_6-31g(d).smash.inp (generated)

000050398.b3lyp_6-31g(d).nwchem.inp (generated) 000050398.b3lyp_6-31g(d).log.xz 000050398.td-b3lyp_6-31g+(d).inp 000050398.td-b3lyp_6-31g+(d).log.xz

000050398.td-b3lyp_6-31+g(d).qchem.inp (generated)

000050398.td-b3lyp_6-31+g(d).gjf (generated)

000050398.td-b3lyp_6-31+g(d).firefly.inp (generated)

000050398.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000050398.mol 000050398.PUBCHEM 000050398.mol (via Jmol)
000050399.b3lyp_6-31g(d).inp

000050399.b3lyp_6-31g(d).qchem.inp (generated)

000050399.b3lyp_6-31g(d).gjf (generated)

000050399.b3lyp_6-31g(d).firefly.inp (generated)

000050399.b3lyp_6-31g(d).smash.inp (generated)

000050399.b3lyp_6-31g(d).nwchem.inp (generated) 000050399.b3lyp_6-31g(d).log.xz 000050399.td-b3lyp_6-31g+(d).inp 000050399.td-b3lyp_6-31g+(d).log.xz

000050399.td-b3lyp_6-31+g(d).qchem.inp (generated)

000050399.td-b3lyp_6-31+g(d).gjf (generated)

000050399.td-b3lyp_6-31+g(d).firefly.inp (generated)

000050399.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000050399.mol 000050399.PUBCHEM 000050399.mol (via Jmol)
000050400.b3lyp_6-31g(d).inp

000050400.b3lyp_6-31g(d).qchem.inp (generated)

000050400.b3lyp_6-31g(d).gjf (generated)

000050400.b3lyp_6-31g(d).firefly.inp (generated)

000050400.b3lyp_6-31g(d).smash.inp (generated)

000050400.b3lyp_6-31g(d).nwchem.inp (generated) 000050400.b3lyp_6-31g(d).log.xz 000050400.td-b3lyp_6-31g+(d).inp 000050400.td-b3lyp_6-31g+(d).log.xz

000050400.td-b3lyp_6-31+g(d).qchem.inp (generated)

000050400.td-b3lyp_6-31+g(d).gjf (generated)

000050400.td-b3lyp_6-31+g(d).firefly.inp (generated)

000050400.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000050400.mol 000050400.PUBCHEM 000050400.mol (via Jmol)
000050401.b3lyp_6-31g(d).inp

000050401.b3lyp_6-31g(d).qchem.inp (generated)

000050401.b3lyp_6-31g(d).gjf (generated)

000050401.b3lyp_6-31g(d).firefly.inp (generated)

000050401.b3lyp_6-31g(d).smash.inp (generated)

000050401.b3lyp_6-31g(d).nwchem.inp (generated) 000050401.b3lyp_6-31g(d).log.xz 000050401.td-b3lyp_6-31g+(d).inp 000050401.td-b3lyp_6-31g+(d).log.xz

000050401.td-b3lyp_6-31+g(d).qchem.inp (generated)

000050401.td-b3lyp_6-31+g(d).gjf (generated)

000050401.td-b3lyp_6-31+g(d).firefly.inp (generated)

000050401.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000050401.mol 000050401.PUBCHEM 000050401.mol (via Jmol)
000050403.b3lyp_6-31g(d).inp

000050403.b3lyp_6-31g(d).qchem.inp (generated)

000050403.b3lyp_6-31g(d).gjf (generated)

000050403.b3lyp_6-31g(d).firefly.inp (generated)

000050403.b3lyp_6-31g(d).smash.inp (generated)

000050403.b3lyp_6-31g(d).nwchem.inp (generated) 000050403.b3lyp_6-31g(d).log.xz 000050403.td-b3lyp_6-31g+(d).inp 000050403.td-b3lyp_6-31g+(d).log.xz

000050403.td-b3lyp_6-31+g(d).qchem.inp (generated)

000050403.td-b3lyp_6-31+g(d).gjf (generated)

000050403.td-b3lyp_6-31+g(d).firefly.inp (generated)

000050403.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000050403.mol 000050403.PUBCHEM 000050403.mol (via Jmol)
000050404.b3lyp_6-31g(d).inp

000050404.b3lyp_6-31g(d).qchem.inp (generated)

000050404.b3lyp_6-31g(d).gjf (generated)

000050404.b3lyp_6-31g(d).firefly.inp (generated)

000050404.b3lyp_6-31g(d).smash.inp (generated)

000050404.b3lyp_6-31g(d).nwchem.inp (generated) 000050404.b3lyp_6-31g(d).log.xz 000050404.td-b3lyp_6-31g+(d).inp 000050404.td-b3lyp_6-31g+(d).log.xz

000050404.td-b3lyp_6-31+g(d).qchem.inp (generated)

000050404.td-b3lyp_6-31+g(d).gjf (generated)

000050404.td-b3lyp_6-31+g(d).firefly.inp (generated)

000050404.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000050404.mol 000050404.PUBCHEM 000050404.mol (via Jmol)
000050405.b3lyp_6-31g(d).inp

000050405.b3lyp_6-31g(d).qchem.inp (generated)

000050405.b3lyp_6-31g(d).gjf (generated)

000050405.b3lyp_6-31g(d).firefly.inp (generated)

000050405.b3lyp_6-31g(d).smash.inp (generated)

000050405.b3lyp_6-31g(d).nwchem.inp (generated) 000050405.b3lyp_6-31g(d).log.xz 000050405.td-b3lyp_6-31g+(d).inp 000050405.td-b3lyp_6-31g+(d).log.xz

000050405.td-b3lyp_6-31+g(d).qchem.inp (generated)

000050405.td-b3lyp_6-31+g(d).gjf (generated)

000050405.td-b3lyp_6-31+g(d).firefly.inp (generated)

000050405.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000050405.mol 000050405.PUBCHEM 000050405.mol (via Jmol)
000050406.b3lyp_6-31g(d).inp

000050406.b3lyp_6-31g(d).qchem.inp (generated)

000050406.b3lyp_6-31g(d).gjf (generated)

000050406.b3lyp_6-31g(d).firefly.inp (generated)

000050406.b3lyp_6-31g(d).smash.inp (generated)

000050406.b3lyp_6-31g(d).nwchem.inp (generated) 000050406.b3lyp_6-31g(d).log.xz 000050406.td-b3lyp_6-31g+(d).inp 000050406.td-b3lyp_6-31g+(d).log.xz

000050406.td-b3lyp_6-31+g(d).qchem.inp (generated)

000050406.td-b3lyp_6-31+g(d).gjf (generated)

000050406.td-b3lyp_6-31+g(d).firefly.inp (generated)

000050406.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000050406.mol 000050406.PUBCHEM 000050406.mol (via Jmol)
000050407.b3lyp_6-31g(d).inp

000050407.b3lyp_6-31g(d).qchem.inp (generated)

000050407.b3lyp_6-31g(d).gjf (generated)

000050407.b3lyp_6-31g(d).firefly.inp (generated)

000050407.b3lyp_6-31g(d).smash.inp (generated)

000050407.b3lyp_6-31g(d).nwchem.inp (generated) 000050407.b3lyp_6-31g(d).log.xz 000050407.td-b3lyp_6-31g+(d).inp 000050407.td-b3lyp_6-31g+(d).log.xz

000050407.td-b3lyp_6-31+g(d).qchem.inp (generated)

000050407.td-b3lyp_6-31+g(d).gjf (generated)

000050407.td-b3lyp_6-31+g(d).firefly.inp (generated)

000050407.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000050407.mol 000050407.PUBCHEM 000050407.mol (via Jmol)
000050408.b3lyp_6-31g(d).inp

000050408.b3lyp_6-31g(d).qchem.inp (generated)

000050408.b3lyp_6-31g(d).gjf (generated)

000050408.b3lyp_6-31g(d).firefly.inp (generated)

000050408.b3lyp_6-31g(d).smash.inp (generated)

000050408.b3lyp_6-31g(d).nwchem.inp (generated) 000050408.b3lyp_6-31g(d).log.xz 000050408.td-b3lyp_6-31g+(d).inp 000050408.td-b3lyp_6-31g+(d).log.xz

000050408.td-b3lyp_6-31+g(d).qchem.inp (generated)

000050408.td-b3lyp_6-31+g(d).gjf (generated)

000050408.td-b3lyp_6-31+g(d).firefly.inp (generated)

000050408.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000050408.mol 000050408.PUBCHEM 000050408.mol (via Jmol)
000050411.b3lyp_6-31g(d).inp

000050411.b3lyp_6-31g(d).qchem.inp (generated)

000050411.b3lyp_6-31g(d).gjf (generated)

000050411.b3lyp_6-31g(d).firefly.inp (generated)

000050411.b3lyp_6-31g(d).smash.inp (generated)

000050411.b3lyp_6-31g(d).nwchem.inp (generated) 000050411.b3lyp_6-31g(d).log.xz 000050411.td-b3lyp_6-31g+(d).inp 000050411.td-b3lyp_6-31g+(d).log.xz

000050411.td-b3lyp_6-31+g(d).qchem.inp (generated)

000050411.td-b3lyp_6-31+g(d).gjf (generated)

000050411.td-b3lyp_6-31+g(d).firefly.inp (generated)

000050411.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000050411.mol 000050411.PUBCHEM 000050411.mol (via Jmol)
000050414.b3lyp_6-31g(d).inp

000050414.b3lyp_6-31g(d).qchem.inp (generated)

000050414.b3lyp_6-31g(d).gjf (generated)

000050414.b3lyp_6-31g(d).firefly.inp (generated)

000050414.b3lyp_6-31g(d).smash.inp (generated)

000050414.b3lyp_6-31g(d).nwchem.inp (generated) 000050414.b3lyp_6-31g(d).log.xz 000050414.td-b3lyp_6-31g+(d).inp 000050414.td-b3lyp_6-31g+(d).log.xz

000050414.td-b3lyp_6-31+g(d).qchem.inp (generated)

000050414.td-b3lyp_6-31+g(d).gjf (generated)

000050414.td-b3lyp_6-31+g(d).firefly.inp (generated)

000050414.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000050414.mol 000050414.PUBCHEM 000050414.mol (via Jmol)
000050415.b3lyp_6-31g(d).inp

000050415.b3lyp_6-31g(d).qchem.inp (generated)

000050415.b3lyp_6-31g(d).gjf (generated)

000050415.b3lyp_6-31g(d).firefly.inp (generated)

000050415.b3lyp_6-31g(d).smash.inp (generated)

000050415.b3lyp_6-31g(d).nwchem.inp (generated) 000050415.b3lyp_6-31g(d).log.xz 000050415.td-b3lyp_6-31g+(d).inp 000050415.td-b3lyp_6-31g+(d).log.xz

000050415.td-b3lyp_6-31+g(d).qchem.inp (generated)

000050415.td-b3lyp_6-31+g(d).gjf (generated)

000050415.td-b3lyp_6-31+g(d).firefly.inp (generated)

000050415.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000050415.mol 000050415.PUBCHEM 000050415.mol (via Jmol)
000050420.b3lyp_6-31g(d).inp

000050420.b3lyp_6-31g(d).qchem.inp (generated)

000050420.b3lyp_6-31g(d).gjf (generated)

000050420.b3lyp_6-31g(d).firefly.inp (generated)

000050420.b3lyp_6-31g(d).smash.inp (generated)

000050420.b3lyp_6-31g(d).nwchem.inp (generated) 000050420.b3lyp_6-31g(d).log.xz 000050420.td-b3lyp_6-31g+(d).inp 000050420.td-b3lyp_6-31g+(d).log.xz

000050420.td-b3lyp_6-31+g(d).qchem.inp (generated)

000050420.td-b3lyp_6-31+g(d).gjf (generated)

000050420.td-b3lyp_6-31+g(d).firefly.inp (generated)

000050420.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000050420.mol 000050420.PUBCHEM 000050420.mol (via Jmol)
000050421.b3lyp_6-31g(d).inp

000050421.b3lyp_6-31g(d).qchem.inp (generated)

000050421.b3lyp_6-31g(d).gjf (generated)

000050421.b3lyp_6-31g(d).firefly.inp (generated)

000050421.b3lyp_6-31g(d).smash.inp (generated)

000050421.b3lyp_6-31g(d).nwchem.inp (generated) 000050421.b3lyp_6-31g(d).log.xz 000050421.td-b3lyp_6-31g+(d).inp 000050421.td-b3lyp_6-31g+(d).log.xz

000050421.td-b3lyp_6-31+g(d).qchem.inp (generated)

000050421.td-b3lyp_6-31+g(d).gjf (generated)

000050421.td-b3lyp_6-31+g(d).firefly.inp (generated)

000050421.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000050421.mol 000050421.PUBCHEM 000050421.mol (via Jmol)
000050431.b3lyp_6-31g(d).inp

000050431.b3lyp_6-31g(d).qchem.inp (generated)

000050431.b3lyp_6-31g(d).gjf (generated)

000050431.b3lyp_6-31g(d).firefly.inp (generated)

000050431.b3lyp_6-31g(d).smash.inp (generated)

000050431.b3lyp_6-31g(d).nwchem.inp (generated) 000050431.b3lyp_6-31g(d).log.xz 000050431.td-b3lyp_6-31g+(d).inp 000050431.td-b3lyp_6-31g+(d).log.xz

000050431.td-b3lyp_6-31+g(d).qchem.inp (generated)

000050431.td-b3lyp_6-31+g(d).gjf (generated)

000050431.td-b3lyp_6-31+g(d).firefly.inp (generated)

000050431.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000050431.mol 000050431.PUBCHEM 000050431.mol (via Jmol)
000050445.b3lyp_6-31g(d).inp

000050445.b3lyp_6-31g(d).qchem.inp (generated)

000050445.b3lyp_6-31g(d).gjf (generated)

000050445.b3lyp_6-31g(d).firefly.inp (generated)

000050445.b3lyp_6-31g(d).smash.inp (generated)

000050445.b3lyp_6-31g(d).nwchem.inp (generated) 000050445.b3lyp_6-31g(d).log.xz 000050445.td-b3lyp_6-31g+(d).inp 000050445.td-b3lyp_6-31g+(d).log.xz

000050445.td-b3lyp_6-31+g(d).qchem.inp (generated)

000050445.td-b3lyp_6-31+g(d).gjf (generated)

000050445.td-b3lyp_6-31+g(d).firefly.inp (generated)

000050445.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000050445.mol 000050445.PUBCHEM 000050445.mol (via Jmol)
000050447.b3lyp_6-31g(d).inp

000050447.b3lyp_6-31g(d).qchem.inp (generated)

000050447.b3lyp_6-31g(d).gjf (generated)

000050447.b3lyp_6-31g(d).firefly.inp (generated)

000050447.b3lyp_6-31g(d).smash.inp (generated)

000050447.b3lyp_6-31g(d).nwchem.inp (generated) 000050447.b3lyp_6-31g(d).log.xz 000050447.td-b3lyp_6-31g+(d).inp 000050447.td-b3lyp_6-31g+(d).log.xz

000050447.td-b3lyp_6-31+g(d).qchem.inp (generated)

000050447.td-b3lyp_6-31+g(d).gjf (generated)

000050447.td-b3lyp_6-31+g(d).firefly.inp (generated)

000050447.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000050447.mol 000050447.PUBCHEM 000050447.mol (via Jmol)
000050449.b3lyp_6-31g(d).inp

000050449.b3lyp_6-31g(d).qchem.inp (generated)

000050449.b3lyp_6-31g(d).gjf (generated)

000050449.b3lyp_6-31g(d).firefly.inp (generated)

000050449.b3lyp_6-31g(d).smash.inp (generated)

000050449.b3lyp_6-31g(d).nwchem.inp (generated) 000050449.b3lyp_6-31g(d).log.xz 000050449.td-b3lyp_6-31g+(d).inp 000050449.td-b3lyp_6-31g+(d).log.xz

000050449.td-b3lyp_6-31+g(d).qchem.inp (generated)

000050449.td-b3lyp_6-31+g(d).gjf (generated)

000050449.td-b3lyp_6-31+g(d).firefly.inp (generated)

000050449.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000050449.mol 000050449.PUBCHEM 000050449.mol (via Jmol)
000050460.b3lyp_6-31g(d).inp

000050460.b3lyp_6-31g(d).qchem.inp (generated)

000050460.b3lyp_6-31g(d).gjf (generated)

000050460.b3lyp_6-31g(d).firefly.inp (generated)

000050460.b3lyp_6-31g(d).smash.inp (generated)

000050460.b3lyp_6-31g(d).nwchem.inp (generated) 000050460.b3lyp_6-31g(d).log.xz 000050460.td-b3lyp_6-31g+(d).inp 000050460.td-b3lyp_6-31g+(d).log.xz

000050460.td-b3lyp_6-31+g(d).qchem.inp (generated)

000050460.td-b3lyp_6-31+g(d).gjf (generated)

000050460.td-b3lyp_6-31+g(d).firefly.inp (generated)

000050460.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000050460.mol 000050460.PUBCHEM 000050460.mol (via Jmol)
000050462.b3lyp_6-31g(d).inp

000050462.b3lyp_6-31g(d).qchem.inp (generated)

000050462.b3lyp_6-31g(d).gjf (generated)

000050462.b3lyp_6-31g(d).firefly.inp (generated)

000050462.b3lyp_6-31g(d).smash.inp (generated)

000050462.b3lyp_6-31g(d).nwchem.inp (generated) 000050462.b3lyp_6-31g(d).log.xz 000050462.td-b3lyp_6-31g+(d).inp 000050462.td-b3lyp_6-31g+(d).log.xz

000050462.td-b3lyp_6-31+g(d).qchem.inp (generated)

000050462.td-b3lyp_6-31+g(d).gjf (generated)

000050462.td-b3lyp_6-31+g(d).firefly.inp (generated)

000050462.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000050462.mol 000050462.PUBCHEM 000050462.mol (via Jmol)
000050471.b3lyp_6-31g(d).inp

000050471.b3lyp_6-31g(d).qchem.inp (generated)

000050471.b3lyp_6-31g(d).gjf (generated)

000050471.b3lyp_6-31g(d).firefly.inp (generated)

000050471.b3lyp_6-31g(d).smash.inp (generated)

000050471.b3lyp_6-31g(d).nwchem.inp (generated) 000050471.b3lyp_6-31g(d).log.xz 000050471.td-b3lyp_6-31g+(d).inp 000050471.td-b3lyp_6-31g+(d).log.xz

000050471.td-b3lyp_6-31+g(d).qchem.inp (generated)

000050471.td-b3lyp_6-31+g(d).gjf (generated)

000050471.td-b3lyp_6-31+g(d).firefly.inp (generated)

000050471.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000050471.mol 000050471.PUBCHEM 000050471.mol (via Jmol)
000050473.b3lyp_6-31g(d).inp

000050473.b3lyp_6-31g(d).qchem.inp (generated)

000050473.b3lyp_6-31g(d).gjf (generated)

000050473.b3lyp_6-31g(d).firefly.inp (generated)

000050473.b3lyp_6-31g(d).smash.inp (generated)

000050473.b3lyp_6-31g(d).nwchem.inp (generated) 000050473.b3lyp_6-31g(d).log.xz 000050473.td-b3lyp_6-31g+(d).inp 000050473.td-b3lyp_6-31g+(d).log.xz

000050473.td-b3lyp_6-31+g(d).qchem.inp (generated)

000050473.td-b3lyp_6-31+g(d).gjf (generated)

000050473.td-b3lyp_6-31+g(d).firefly.inp (generated)

000050473.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000050473.mol 000050473.PUBCHEM 000050473.mol (via Jmol)
000050475.b3lyp_6-31g(d).inp

000050475.b3lyp_6-31g(d).qchem.inp (generated)

000050475.b3lyp_6-31g(d).gjf (generated)

000050475.b3lyp_6-31g(d).firefly.inp (generated)

000050475.b3lyp_6-31g(d).smash.inp (generated)

000050475.b3lyp_6-31g(d).nwchem.inp (generated) 000050475.b3lyp_6-31g(d).log.xz 000050475.td-b3lyp_6-31g+(d).inp 000050475.td-b3lyp_6-31g+(d).log.xz

000050475.td-b3lyp_6-31+g(d).qchem.inp (generated)

000050475.td-b3lyp_6-31+g(d).gjf (generated)

000050475.td-b3lyp_6-31+g(d).firefly.inp (generated)

000050475.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000050475.mol 000050475.PUBCHEM 000050475.mol (via Jmol)
000050539.b3lyp_6-31g(d).inp

000050539.b3lyp_6-31g(d).qchem.inp (generated)

000050539.b3lyp_6-31g(d).gjf (generated)

000050539.b3lyp_6-31g(d).firefly.inp (generated)

000050539.b3lyp_6-31g(d).smash.inp (generated)

000050539.b3lyp_6-31g(d).nwchem.inp (generated) 000050539.b3lyp_6-31g(d).log.xz 000050539.td-b3lyp_6-31g+(d).inp 000050539.td-b3lyp_6-31g+(d).log.xz

000050539.td-b3lyp_6-31+g(d).qchem.inp (generated)

000050539.td-b3lyp_6-31+g(d).gjf (generated)

000050539.td-b3lyp_6-31+g(d).firefly.inp (generated)

000050539.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000050539.mol 000050539.PUBCHEM 000050539.mol (via Jmol)
000050540.b3lyp_6-31g(d).inp

000050540.b3lyp_6-31g(d).qchem.inp (generated)

000050540.b3lyp_6-31g(d).gjf (generated)

000050540.b3lyp_6-31g(d).firefly.inp (generated)

000050540.b3lyp_6-31g(d).smash.inp (generated)

000050540.b3lyp_6-31g(d).nwchem.inp (generated) 000050540.b3lyp_6-31g(d).log.xz 000050540.td-b3lyp_6-31g+(d).inp 000050540.td-b3lyp_6-31g+(d).log.xz

000050540.td-b3lyp_6-31+g(d).qchem.inp (generated)

000050540.td-b3lyp_6-31+g(d).gjf (generated)

000050540.td-b3lyp_6-31+g(d).firefly.inp (generated)

000050540.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000050540.mol 000050540.PUBCHEM 000050540.mol (via Jmol)
000050541.b3lyp_6-31g(d).inp

000050541.b3lyp_6-31g(d).qchem.inp (generated)

000050541.b3lyp_6-31g(d).gjf (generated)

000050541.b3lyp_6-31g(d).firefly.inp (generated)

000050541.b3lyp_6-31g(d).smash.inp (generated)

000050541.b3lyp_6-31g(d).nwchem.inp (generated) 000050541.b3lyp_6-31g(d).log.xz 000050541.td-b3lyp_6-31g+(d).inp 000050541.td-b3lyp_6-31g+(d).log.xz

000050541.td-b3lyp_6-31+g(d).qchem.inp (generated)

000050541.td-b3lyp_6-31+g(d).gjf (generated)

000050541.td-b3lyp_6-31+g(d).firefly.inp (generated)

000050541.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000050541.mol 000050541.PUBCHEM 000050541.mol (via Jmol)
000050542.b3lyp_6-31g(d).inp

000050542.b3lyp_6-31g(d).qchem.inp (generated)

000050542.b3lyp_6-31g(d).gjf (generated)

000050542.b3lyp_6-31g(d).firefly.inp (generated)

000050542.b3lyp_6-31g(d).smash.inp (generated)

000050542.b3lyp_6-31g(d).nwchem.inp (generated) 000050542.b3lyp_6-31g(d).log.xz 000050542.td-b3lyp_6-31g+(d).inp 000050542.td-b3lyp_6-31g+(d).log.xz

000050542.td-b3lyp_6-31+g(d).qchem.inp (generated)

000050542.td-b3lyp_6-31+g(d).gjf (generated)

000050542.td-b3lyp_6-31+g(d).firefly.inp (generated)

000050542.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000050542.mol 000050542.PUBCHEM 000050542.mol (via Jmol)
000050543.b3lyp_6-31g(d).inp

000050543.b3lyp_6-31g(d).qchem.inp (generated)

000050543.b3lyp_6-31g(d).gjf (generated)

000050543.b3lyp_6-31g(d).firefly.inp (generated)

000050543.b3lyp_6-31g(d).smash.inp (generated)

000050543.b3lyp_6-31g(d).nwchem.inp (generated) 000050543.b3lyp_6-31g(d).log.xz 000050543.td-b3lyp_6-31g+(d).inp 000050543.td-b3lyp_6-31g+(d).log.xz

000050543.td-b3lyp_6-31+g(d).qchem.inp (generated)

000050543.td-b3lyp_6-31+g(d).gjf (generated)

000050543.td-b3lyp_6-31+g(d).firefly.inp (generated)

000050543.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000050543.mol 000050543.PUBCHEM 000050543.mol (via Jmol)
000050547.b3lyp_6-31g(d).inp

000050547.b3lyp_6-31g(d).qchem.inp (generated)

000050547.b3lyp_6-31g(d).gjf (generated)

000050547.b3lyp_6-31g(d).firefly.inp (generated)

000050547.b3lyp_6-31g(d).smash.inp (generated)

000050547.b3lyp_6-31g(d).nwchem.inp (generated) 000050547.b3lyp_6-31g(d).log.xz 000050547.td-b3lyp_6-31g+(d).inp 000050547.td-b3lyp_6-31g+(d).log.xz

000050547.td-b3lyp_6-31+g(d).qchem.inp (generated)

000050547.td-b3lyp_6-31+g(d).gjf (generated)

000050547.td-b3lyp_6-31+g(d).firefly.inp (generated)

000050547.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000050547.mol 000050547.PUBCHEM 000050547.mol (via Jmol)
000050570.b3lyp_6-31g(d).inp

000050570.b3lyp_6-31g(d).qchem.inp (generated)

000050570.b3lyp_6-31g(d).gjf (generated)

000050570.b3lyp_6-31g(d).firefly.inp (generated)

000050570.b3lyp_6-31g(d).smash.inp (generated)

000050570.b3lyp_6-31g(d).nwchem.inp (generated) 000050570.b3lyp_6-31g(d).log.xz 000050570.td-b3lyp_6-31g+(d).inp 000050570.td-b3lyp_6-31g+(d).log.xz

000050570.td-b3lyp_6-31+g(d).qchem.inp (generated)

000050570.td-b3lyp_6-31+g(d).gjf (generated)

000050570.td-b3lyp_6-31+g(d).firefly.inp (generated)

000050570.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000050570.mol 000050570.PUBCHEM 000050570.mol (via Jmol)
000050577.b3lyp_6-31g(d).inp

000050577.b3lyp_6-31g(d).qchem.inp (generated)

000050577.b3lyp_6-31g(d).gjf (generated)

000050577.b3lyp_6-31g(d).firefly.inp (generated)

000050577.b3lyp_6-31g(d).smash.inp (generated)

000050577.b3lyp_6-31g(d).nwchem.inp (generated) 000050577.b3lyp_6-31g(d).log.xz 000050577.td-b3lyp_6-31g+(d).inp 000050577.td-b3lyp_6-31g+(d).log.xz

000050577.td-b3lyp_6-31+g(d).qchem.inp (generated)

000050577.td-b3lyp_6-31+g(d).gjf (generated)

000050577.td-b3lyp_6-31+g(d).firefly.inp (generated)

000050577.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000050577.mol 000050577.PUBCHEM 000050577.mol (via Jmol)
000050578.b3lyp_6-31g(d).inp

000050578.b3lyp_6-31g(d).qchem.inp (generated)

000050578.b3lyp_6-31g(d).gjf (generated)

000050578.b3lyp_6-31g(d).firefly.inp (generated)

000050578.b3lyp_6-31g(d).smash.inp (generated)

000050578.b3lyp_6-31g(d).nwchem.inp (generated) 000050578.b3lyp_6-31g(d).log.xz 000050578.td-b3lyp_6-31g+(d).inp 000050578.td-b3lyp_6-31g+(d).log.xz

000050578.td-b3lyp_6-31+g(d).qchem.inp (generated)

000050578.td-b3lyp_6-31+g(d).gjf (generated)

000050578.td-b3lyp_6-31+g(d).firefly.inp (generated)

000050578.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000050578.mol 000050578.PUBCHEM 000050578.mol (via Jmol)
000050591.b3lyp_6-31g(d).inp

000050591.b3lyp_6-31g(d).qchem.inp (generated)

000050591.b3lyp_6-31g(d).gjf (generated)

000050591.b3lyp_6-31g(d).firefly.inp (generated)

000050591.b3lyp_6-31g(d).smash.inp (generated)

000050591.b3lyp_6-31g(d).nwchem.inp (generated) 000050591.b3lyp_6-31g(d).log.xz 000050591.td-b3lyp_6-31g+(d).inp 000050591.td-b3lyp_6-31g+(d).log.xz

000050591.td-b3lyp_6-31+g(d).qchem.inp (generated)

000050591.td-b3lyp_6-31+g(d).gjf (generated)

000050591.td-b3lyp_6-31+g(d).firefly.inp (generated)

000050591.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000050591.mol 000050591.PUBCHEM 000050591.mol (via Jmol)
000050598.b3lyp_6-31g(d).inp

000050598.b3lyp_6-31g(d).qchem.inp (generated)

000050598.b3lyp_6-31g(d).gjf (generated)

000050598.b3lyp_6-31g(d).firefly.inp (generated)

000050598.b3lyp_6-31g(d).smash.inp (generated)

000050598.b3lyp_6-31g(d).nwchem.inp (generated) 000050598.b3lyp_6-31g(d).log.xz 000050598.td-b3lyp_6-31g+(d).inp 000050598.td-b3lyp_6-31g+(d).log.xz

000050598.td-b3lyp_6-31+g(d).qchem.inp (generated)

000050598.td-b3lyp_6-31+g(d).gjf (generated)

000050598.td-b3lyp_6-31+g(d).firefly.inp (generated)

000050598.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000050598.mol 000050598.PUBCHEM 000050598.mol (via Jmol)
000050599.b3lyp_6-31g(d).inp

000050599.b3lyp_6-31g(d).qchem.inp (generated)

000050599.b3lyp_6-31g(d).gjf (generated)

000050599.b3lyp_6-31g(d).firefly.inp (generated)

000050599.b3lyp_6-31g(d).smash.inp (generated)

000050599.b3lyp_6-31g(d).nwchem.inp (generated) 000050599.b3lyp_6-31g(d).log.xz 000050599.td-b3lyp_6-31g+(d).inp 000050599.td-b3lyp_6-31g+(d).log.xz

000050599.td-b3lyp_6-31+g(d).qchem.inp (generated)

000050599.td-b3lyp_6-31+g(d).gjf (generated)

000050599.td-b3lyp_6-31+g(d).firefly.inp (generated)

000050599.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000050599.mol 000050599.PUBCHEM 000050599.mol (via Jmol)
000050607.b3lyp_6-31g(d).inp

000050607.b3lyp_6-31g(d).qchem.inp (generated)

000050607.b3lyp_6-31g(d).gjf (generated)

000050607.b3lyp_6-31g(d).firefly.inp (generated)

000050607.b3lyp_6-31g(d).smash.inp (generated)

000050607.b3lyp_6-31g(d).nwchem.inp (generated) 000050607.b3lyp_6-31g(d).log.xz 000050607.td-b3lyp_6-31g+(d).inp 000050607.td-b3lyp_6-31g+(d).log.xz

000050607.td-b3lyp_6-31+g(d).qchem.inp (generated)

000050607.td-b3lyp_6-31+g(d).gjf (generated)

000050607.td-b3lyp_6-31+g(d).firefly.inp (generated)

000050607.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000050607.mol 000050607.PUBCHEM 000050607.mol (via Jmol)
000050608.b3lyp_6-31g(d).inp

000050608.b3lyp_6-31g(d).qchem.inp (generated)

000050608.b3lyp_6-31g(d).gjf (generated)

000050608.b3lyp_6-31g(d).firefly.inp (generated)

000050608.b3lyp_6-31g(d).smash.inp (generated)

000050608.b3lyp_6-31g(d).nwchem.inp (generated) 000050608.b3lyp_6-31g(d).log.xz 000050608.td-b3lyp_6-31g+(d).inp 000050608.td-b3lyp_6-31g+(d).log.xz

000050608.td-b3lyp_6-31+g(d).qchem.inp (generated)

000050608.td-b3lyp_6-31+g(d).gjf (generated)

000050608.td-b3lyp_6-31+g(d).firefly.inp (generated)

000050608.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000050608.mol 000050608.PUBCHEM 000050608.mol (via Jmol)
000050628.b3lyp_6-31g(d).inp

000050628.b3lyp_6-31g(d).qchem.inp (generated)

000050628.b3lyp_6-31g(d).gjf (generated)

000050628.b3lyp_6-31g(d).firefly.inp (generated)

000050628.b3lyp_6-31g(d).smash.inp (generated)

000050628.b3lyp_6-31g(d).nwchem.inp (generated) 000050628.b3lyp_6-31g(d).log.xz 000050628.td-b3lyp_6-31g+(d).inp 000050628.td-b3lyp_6-31g+(d).log.xz

000050628.td-b3lyp_6-31+g(d).qchem.inp (generated)

000050628.td-b3lyp_6-31+g(d).gjf (generated)

000050628.td-b3lyp_6-31+g(d).firefly.inp (generated)

000050628.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000050628.mol 000050628.PUBCHEM 000050628.mol (via Jmol)
000050630.b3lyp_6-31g(d).inp

000050630.b3lyp_6-31g(d).qchem.inp (generated)

000050630.b3lyp_6-31g(d).gjf (generated)

000050630.b3lyp_6-31g(d).firefly.inp (generated)

000050630.b3lyp_6-31g(d).smash.inp (generated)

000050630.b3lyp_6-31g(d).nwchem.inp (generated) 000050630.b3lyp_6-31g(d).log.xz 000050630.td-b3lyp_6-31g+(d).inp 000050630.td-b3lyp_6-31g+(d).log.xz

000050630.td-b3lyp_6-31+g(d).qchem.inp (generated)

000050630.td-b3lyp_6-31+g(d).gjf (generated)

000050630.td-b3lyp_6-31+g(d).firefly.inp (generated)

000050630.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000050630.mol 000050630.PUBCHEM 000050630.mol (via Jmol)
000050632.b3lyp_6-31g(d).inp

000050632.b3lyp_6-31g(d).qchem.inp (generated)

000050632.b3lyp_6-31g(d).gjf (generated)

000050632.b3lyp_6-31g(d).firefly.inp (generated)

000050632.b3lyp_6-31g(d).smash.inp (generated)

000050632.b3lyp_6-31g(d).nwchem.inp (generated) 000050632.b3lyp_6-31g(d).log.xz 000050632.td-b3lyp_6-31g+(d).inp 000050632.td-b3lyp_6-31g+(d).log.xz

000050632.td-b3lyp_6-31+g(d).qchem.inp (generated)

000050632.td-b3lyp_6-31+g(d).gjf (generated)

000050632.td-b3lyp_6-31+g(d).firefly.inp (generated)

000050632.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000050632.mol 000050632.PUBCHEM 000050632.mol (via Jmol)
000050636.b3lyp_6-31g(d).inp

000050636.b3lyp_6-31g(d).qchem.inp (generated)

000050636.b3lyp_6-31g(d).gjf (generated)

000050636.b3lyp_6-31g(d).firefly.inp (generated)

000050636.b3lyp_6-31g(d).smash.inp (generated)

000050636.b3lyp_6-31g(d).nwchem.inp (generated) 000050636.b3lyp_6-31g(d).log.xz 000050636.td-b3lyp_6-31g+(d).inp 000050636.td-b3lyp_6-31g+(d).log.xz

000050636.td-b3lyp_6-31+g(d).qchem.inp (generated)

000050636.td-b3lyp_6-31+g(d).gjf (generated)

000050636.td-b3lyp_6-31+g(d).firefly.inp (generated)

000050636.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000050636.mol 000050636.PUBCHEM 000050636.mol (via Jmol)
000050640.b3lyp_6-31g(d).inp

000050640.b3lyp_6-31g(d).qchem.inp (generated)

000050640.b3lyp_6-31g(d).gjf (generated)

000050640.b3lyp_6-31g(d).firefly.inp (generated)

000050640.b3lyp_6-31g(d).smash.inp (generated)

000050640.b3lyp_6-31g(d).nwchem.inp (generated) 000050640.b3lyp_6-31g(d).log.xz 000050640.td-b3lyp_6-31g+(d).inp 000050640.td-b3lyp_6-31g+(d).log.xz

000050640.td-b3lyp_6-31+g(d).qchem.inp (generated)

000050640.td-b3lyp_6-31+g(d).gjf (generated)

000050640.td-b3lyp_6-31+g(d).firefly.inp (generated)

000050640.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000050640.mol 000050640.PUBCHEM 000050640.mol (via Jmol)
000050654.b3lyp_6-31g(d).inp

000050654.b3lyp_6-31g(d).qchem.inp (generated)

000050654.b3lyp_6-31g(d).gjf (generated)

000050654.b3lyp_6-31g(d).firefly.inp (generated)

000050654.b3lyp_6-31g(d).smash.inp (generated)

000050654.b3lyp_6-31g(d).nwchem.inp (generated) 000050654.b3lyp_6-31g(d).log.xz 000050654.td-b3lyp_6-31g+(d).inp 000050654.td-b3lyp_6-31g+(d).log.xz

000050654.td-b3lyp_6-31+g(d).qchem.inp (generated)

000050654.td-b3lyp_6-31+g(d).gjf (generated)

000050654.td-b3lyp_6-31+g(d).firefly.inp (generated)

000050654.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000050654.mol 000050654.PUBCHEM 000050654.mol (via Jmol)
000050657.b3lyp_6-31g(d).inp

000050657.b3lyp_6-31g(d).qchem.inp (generated)

000050657.b3lyp_6-31g(d).gjf (generated)

000050657.b3lyp_6-31g(d).firefly.inp (generated)

000050657.b3lyp_6-31g(d).smash.inp (generated)

000050657.b3lyp_6-31g(d).nwchem.inp (generated) 000050657.b3lyp_6-31g(d).log.xz 000050657.td-b3lyp_6-31g+(d).inp 000050657.td-b3lyp_6-31g+(d).log.xz

000050657.td-b3lyp_6-31+g(d).qchem.inp (generated)

000050657.td-b3lyp_6-31+g(d).gjf (generated)

000050657.td-b3lyp_6-31+g(d).firefly.inp (generated)

000050657.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000050657.mol 000050657.PUBCHEM 000050657.mol (via Jmol)
000050692.b3lyp_6-31g(d).inp

000050692.b3lyp_6-31g(d).qchem.inp (generated)

000050692.b3lyp_6-31g(d).gjf (generated)

000050692.b3lyp_6-31g(d).firefly.inp (generated)

000050692.b3lyp_6-31g(d).smash.inp (generated)

000050692.b3lyp_6-31g(d).nwchem.inp (generated) 000050692.b3lyp_6-31g(d).log.xz 000050692.td-b3lyp_6-31g+(d).inp 000050692.td-b3lyp_6-31g+(d).log.xz

000050692.td-b3lyp_6-31+g(d).qchem.inp (generated)

000050692.td-b3lyp_6-31+g(d).gjf (generated)

000050692.td-b3lyp_6-31+g(d).firefly.inp (generated)

000050692.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000050692.mol 000050692.PUBCHEM 000050692.mol (via Jmol)
000050703.b3lyp_6-31g(d).inp

000050703.b3lyp_6-31g(d).qchem.inp (generated)

000050703.b3lyp_6-31g(d).gjf (generated)

000050703.b3lyp_6-31g(d).firefly.inp (generated)

000050703.b3lyp_6-31g(d).smash.inp (generated)

000050703.b3lyp_6-31g(d).nwchem.inp (generated) 000050703.b3lyp_6-31g(d).log.xz 000050703.td-b3lyp_6-31g+(d).inp 000050703.td-b3lyp_6-31g+(d).log.xz

000050703.td-b3lyp_6-31+g(d).qchem.inp (generated)

000050703.td-b3lyp_6-31+g(d).gjf (generated)

000050703.td-b3lyp_6-31+g(d).firefly.inp (generated)

000050703.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000050703.mol 000050703.PUBCHEM 000050703.mol (via Jmol)
000050705.b3lyp_6-31g(d).inp

000050705.b3lyp_6-31g(d).qchem.inp (generated)

000050705.b3lyp_6-31g(d).gjf (generated)

000050705.b3lyp_6-31g(d).firefly.inp (generated)

000050705.b3lyp_6-31g(d).smash.inp (generated)

000050705.b3lyp_6-31g(d).nwchem.inp (generated) 000050705.b3lyp_6-31g(d).log.xz 000050705.td-b3lyp_6-31g+(d).inp 000050705.td-b3lyp_6-31g+(d).log.xz

000050705.td-b3lyp_6-31+g(d).qchem.inp (generated)

000050705.td-b3lyp_6-31+g(d).gjf (generated)

000050705.td-b3lyp_6-31+g(d).firefly.inp (generated)

000050705.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000050705.mol 000050705.PUBCHEM 000050705.mol (via Jmol)
000050753.b3lyp_6-31g(d).inp

000050753.b3lyp_6-31g(d).qchem.inp (generated)

000050753.b3lyp_6-31g(d).gjf (generated)

000050753.b3lyp_6-31g(d).firefly.inp (generated)

000050753.b3lyp_6-31g(d).smash.inp (generated)

000050753.b3lyp_6-31g(d).nwchem.inp (generated) 000050753.b3lyp_6-31g(d).log.xz 000050753.td-b3lyp_6-31g+(d).inp 000050753.td-b3lyp_6-31g+(d).log.xz

000050753.td-b3lyp_6-31+g(d).qchem.inp (generated)

000050753.td-b3lyp_6-31+g(d).gjf (generated)

000050753.td-b3lyp_6-31+g(d).firefly.inp (generated)

000050753.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000050753.mol 000050753.PUBCHEM 000050753.mol (via Jmol)
000050755.b3lyp_6-31g(d).inp

000050755.b3lyp_6-31g(d).qchem.inp (generated)

000050755.b3lyp_6-31g(d).gjf (generated)

000050755.b3lyp_6-31g(d).firefly.inp (generated)

000050755.b3lyp_6-31g(d).smash.inp (generated)

000050755.b3lyp_6-31g(d).nwchem.inp (generated) 000050755.b3lyp_6-31g(d).log.xz 000050755.td-b3lyp_6-31g+(d).inp 000050755.td-b3lyp_6-31g+(d).log.xz

000050755.td-b3lyp_6-31+g(d).qchem.inp (generated)

000050755.td-b3lyp_6-31+g(d).gjf (generated)

000050755.td-b3lyp_6-31+g(d).firefly.inp (generated)

000050755.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000050755.mol 000050755.PUBCHEM 000050755.mol (via Jmol)
000050789.b3lyp_6-31g(d).inp

000050789.b3lyp_6-31g(d).qchem.inp (generated)

000050789.b3lyp_6-31g(d).gjf (generated)

000050789.b3lyp_6-31g(d).firefly.inp (generated)

000050789.b3lyp_6-31g(d).smash.inp (generated)

000050789.b3lyp_6-31g(d).nwchem.inp (generated) 000050789.b3lyp_6-31g(d).log.xz 000050789.td-b3lyp_6-31g+(d).inp 000050789.td-b3lyp_6-31g+(d).log.xz

000050789.td-b3lyp_6-31+g(d).qchem.inp (generated)

000050789.td-b3lyp_6-31+g(d).gjf (generated)

000050789.td-b3lyp_6-31+g(d).firefly.inp (generated)

000050789.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000050789.mol 000050789.PUBCHEM 000050789.mol (via Jmol)
000050791.b3lyp_6-31g(d).inp

000050791.b3lyp_6-31g(d).qchem.inp (generated)

000050791.b3lyp_6-31g(d).gjf (generated)

000050791.b3lyp_6-31g(d).firefly.inp (generated)

000050791.b3lyp_6-31g(d).smash.inp (generated)

000050791.b3lyp_6-31g(d).nwchem.inp (generated) 000050791.b3lyp_6-31g(d).log.xz 000050791.td-b3lyp_6-31g+(d).inp 000050791.td-b3lyp_6-31g+(d).log.xz

000050791.td-b3lyp_6-31+g(d).qchem.inp (generated)

000050791.td-b3lyp_6-31+g(d).gjf (generated)

000050791.td-b3lyp_6-31+g(d).firefly.inp (generated)

000050791.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000050791.mol 000050791.PUBCHEM 000050791.mol (via Jmol)
000050846.b3lyp_6-31g(d).inp

000050846.b3lyp_6-31g(d).qchem.inp (generated)

000050846.b3lyp_6-31g(d).gjf (generated)

000050846.b3lyp_6-31g(d).firefly.inp (generated)

000050846.b3lyp_6-31g(d).smash.inp (generated)

000050846.b3lyp_6-31g(d).nwchem.inp (generated) 000050846.b3lyp_6-31g(d).log.xz 000050846.td-b3lyp_6-31g+(d).inp 000050846.td-b3lyp_6-31g+(d).log.xz

000050846.td-b3lyp_6-31+g(d).qchem.inp (generated)

000050846.td-b3lyp_6-31+g(d).gjf (generated)

000050846.td-b3lyp_6-31+g(d).firefly.inp (generated)

000050846.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000050846.mol 000050846.PUBCHEM 000050846.mol (via Jmol)
000050851.b3lyp_6-31g(d).inp

000050851.b3lyp_6-31g(d).qchem.inp (generated)

000050851.b3lyp_6-31g(d).gjf (generated)

000050851.b3lyp_6-31g(d).firefly.inp (generated)

000050851.b3lyp_6-31g(d).smash.inp (generated)

000050851.b3lyp_6-31g(d).nwchem.inp (generated) 000050851.b3lyp_6-31g(d).log.xz 000050851.td-b3lyp_6-31g+(d).inp 000050851.td-b3lyp_6-31g+(d).log.xz

000050851.td-b3lyp_6-31+g(d).qchem.inp (generated)

000050851.td-b3lyp_6-31+g(d).gjf (generated)

000050851.td-b3lyp_6-31+g(d).firefly.inp (generated)

000050851.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000050851.mol 000050851.PUBCHEM 000050851.mol (via Jmol)
000050853.b3lyp_6-31g(d).inp

000050853.b3lyp_6-31g(d).qchem.inp (generated)

000050853.b3lyp_6-31g(d).gjf (generated)

000050853.b3lyp_6-31g(d).firefly.inp (generated)

000050853.b3lyp_6-31g(d).smash.inp (generated)

000050853.b3lyp_6-31g(d).nwchem.inp (generated) 000050853.b3lyp_6-31g(d).log.xz 000050853.td-b3lyp_6-31g+(d).inp 000050853.td-b3lyp_6-31g+(d).log.xz

000050853.td-b3lyp_6-31+g(d).qchem.inp (generated)

000050853.td-b3lyp_6-31+g(d).gjf (generated)

000050853.td-b3lyp_6-31+g(d).firefly.inp (generated)

000050853.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000050853.mol 000050853.PUBCHEM 000050853.mol (via Jmol)
000050855.b3lyp_6-31g(d).inp

000050855.b3lyp_6-31g(d).qchem.inp (generated)

000050855.b3lyp_6-31g(d).gjf (generated)

000050855.b3lyp_6-31g(d).firefly.inp (generated)

000050855.b3lyp_6-31g(d).smash.inp (generated)

000050855.b3lyp_6-31g(d).nwchem.inp (generated) 000050855.b3lyp_6-31g(d).log.xz 000050855.td-b3lyp_6-31g+(d).inp 000050855.td-b3lyp_6-31g+(d).log.xz

000050855.td-b3lyp_6-31+g(d).qchem.inp (generated)

000050855.td-b3lyp_6-31+g(d).gjf (generated)

000050855.td-b3lyp_6-31+g(d).firefly.inp (generated)

000050855.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000050855.mol 000050855.PUBCHEM 000050855.mol (via Jmol)
000050857.b3lyp_6-31g(d).inp

000050857.b3lyp_6-31g(d).qchem.inp (generated)

000050857.b3lyp_6-31g(d).gjf (generated)

000050857.b3lyp_6-31g(d).firefly.inp (generated)

000050857.b3lyp_6-31g(d).smash.inp (generated)

000050857.b3lyp_6-31g(d).nwchem.inp (generated) 000050857.b3lyp_6-31g(d).log.xz 000050857.td-b3lyp_6-31g+(d).inp 000050857.td-b3lyp_6-31g+(d).log.xz

000050857.td-b3lyp_6-31+g(d).qchem.inp (generated)

000050857.td-b3lyp_6-31+g(d).gjf (generated)

000050857.td-b3lyp_6-31+g(d).firefly.inp (generated)

000050857.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000050857.mol 000050857.PUBCHEM 000050857.mol (via Jmol)
000050859.b3lyp_6-31g(d).inp

000050859.b3lyp_6-31g(d).qchem.inp (generated)

000050859.b3lyp_6-31g(d).gjf (generated)

000050859.b3lyp_6-31g(d).firefly.inp (generated)

000050859.b3lyp_6-31g(d).smash.inp (generated)

000050859.b3lyp_6-31g(d).nwchem.inp (generated) 000050859.b3lyp_6-31g(d).log.xz 000050859.td-b3lyp_6-31g+(d).inp 000050859.td-b3lyp_6-31g+(d).log.xz

000050859.td-b3lyp_6-31+g(d).qchem.inp (generated)

000050859.td-b3lyp_6-31+g(d).gjf (generated)

000050859.td-b3lyp_6-31+g(d).firefly.inp (generated)

000050859.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000050859.mol 000050859.PUBCHEM 000050859.mol (via Jmol)
000050861.b3lyp_6-31g(d).inp

000050861.b3lyp_6-31g(d).qchem.inp (generated)

000050861.b3lyp_6-31g(d).gjf (generated)

000050861.b3lyp_6-31g(d).firefly.inp (generated)

000050861.b3lyp_6-31g(d).smash.inp (generated)

000050861.b3lyp_6-31g(d).nwchem.inp (generated) 000050861.b3lyp_6-31g(d).log.xz 000050861.td-b3lyp_6-31g+(d).inp 000050861.td-b3lyp_6-31g+(d).log.xz

000050861.td-b3lyp_6-31+g(d).qchem.inp (generated)

000050861.td-b3lyp_6-31+g(d).gjf (generated)

000050861.td-b3lyp_6-31+g(d).firefly.inp (generated)

000050861.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000050861.mol 000050861.PUBCHEM 000050861.mol (via Jmol)
000050863.b3lyp_6-31g(d).inp

000050863.b3lyp_6-31g(d).qchem.inp (generated)

000050863.b3lyp_6-31g(d).gjf (generated)

000050863.b3lyp_6-31g(d).firefly.inp (generated)

000050863.b3lyp_6-31g(d).smash.inp (generated)

000050863.b3lyp_6-31g(d).nwchem.inp (generated) 000050863.b3lyp_6-31g(d).log.xz 000050863.td-b3lyp_6-31g+(d).inp 000050863.td-b3lyp_6-31g+(d).log.xz

000050863.td-b3lyp_6-31+g(d).qchem.inp (generated)

000050863.td-b3lyp_6-31+g(d).gjf (generated)

000050863.td-b3lyp_6-31+g(d).firefly.inp (generated)

000050863.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000050863.mol 000050863.PUBCHEM 000050863.mol (via Jmol)
000050865.b3lyp_6-31g(d).inp

000050865.b3lyp_6-31g(d).qchem.inp (generated)

000050865.b3lyp_6-31g(d).gjf (generated)

000050865.b3lyp_6-31g(d).firefly.inp (generated)

000050865.b3lyp_6-31g(d).smash.inp (generated)

000050865.b3lyp_6-31g(d).nwchem.inp (generated) 000050865.b3lyp_6-31g(d).log.xz 000050865.td-b3lyp_6-31g+(d).inp 000050865.td-b3lyp_6-31g+(d).log.xz

000050865.td-b3lyp_6-31+g(d).qchem.inp (generated)

000050865.td-b3lyp_6-31+g(d).gjf (generated)

000050865.td-b3lyp_6-31+g(d).firefly.inp (generated)

000050865.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000050865.mol 000050865.PUBCHEM 000050865.mol (via Jmol)
000050867.b3lyp_6-31g(d).inp

000050867.b3lyp_6-31g(d).qchem.inp (generated)

000050867.b3lyp_6-31g(d).gjf (generated)

000050867.b3lyp_6-31g(d).firefly.inp (generated)

000050867.b3lyp_6-31g(d).smash.inp (generated)

000050867.b3lyp_6-31g(d).nwchem.inp (generated) 000050867.b3lyp_6-31g(d).log.xz 000050867.td-b3lyp_6-31g+(d).inp 000050867.td-b3lyp_6-31g+(d).log.xz

000050867.td-b3lyp_6-31+g(d).qchem.inp (generated)

000050867.td-b3lyp_6-31+g(d).gjf (generated)

000050867.td-b3lyp_6-31+g(d).firefly.inp (generated)

000050867.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000050867.mol 000050867.PUBCHEM 000050867.mol (via Jmol)
000050869.b3lyp_6-31g(d).inp

000050869.b3lyp_6-31g(d).qchem.inp (generated)

000050869.b3lyp_6-31g(d).gjf (generated)

000050869.b3lyp_6-31g(d).firefly.inp (generated)

000050869.b3lyp_6-31g(d).smash.inp (generated)

000050869.b3lyp_6-31g(d).nwchem.inp (generated) 000050869.b3lyp_6-31g(d).log.xz 000050869.td-b3lyp_6-31g+(d).inp 000050869.td-b3lyp_6-31g+(d).log.xz

000050869.td-b3lyp_6-31+g(d).qchem.inp (generated)

000050869.td-b3lyp_6-31+g(d).gjf (generated)

000050869.td-b3lyp_6-31+g(d).firefly.inp (generated)

000050869.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000050869.mol 000050869.PUBCHEM 000050869.mol (via Jmol)
000050871.b3lyp_6-31g(d).inp

000050871.b3lyp_6-31g(d).qchem.inp (generated)

000050871.b3lyp_6-31g(d).gjf (generated)

000050871.b3lyp_6-31g(d).firefly.inp (generated)

000050871.b3lyp_6-31g(d).smash.inp (generated)

000050871.b3lyp_6-31g(d).nwchem.inp (generated) 000050871.b3lyp_6-31g(d).log.xz 000050871.td-b3lyp_6-31g+(d).inp 000050871.td-b3lyp_6-31g+(d).log.xz

000050871.td-b3lyp_6-31+g(d).qchem.inp (generated)

000050871.td-b3lyp_6-31+g(d).gjf (generated)

000050871.td-b3lyp_6-31+g(d).firefly.inp (generated)

000050871.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000050871.mol 000050871.PUBCHEM 000050871.mol (via Jmol)
000050873.b3lyp_6-31g(d).inp

000050873.b3lyp_6-31g(d).qchem.inp (generated)

000050873.b3lyp_6-31g(d).gjf (generated)

000050873.b3lyp_6-31g(d).firefly.inp (generated)

000050873.b3lyp_6-31g(d).smash.inp (generated)

000050873.b3lyp_6-31g(d).nwchem.inp (generated) 000050873.b3lyp_6-31g(d).log.xz 000050873.td-b3lyp_6-31g+(d).inp 000050873.td-b3lyp_6-31g+(d).log.xz

000050873.td-b3lyp_6-31+g(d).qchem.inp (generated)

000050873.td-b3lyp_6-31+g(d).gjf (generated)

000050873.td-b3lyp_6-31+g(d).firefly.inp (generated)

000050873.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000050873.mol 000050873.PUBCHEM 000050873.mol (via Jmol)
000050914.b3lyp_6-31g(d).inp

000050914.b3lyp_6-31g(d).qchem.inp (generated)

000050914.b3lyp_6-31g(d).gjf (generated)

000050914.b3lyp_6-31g(d).firefly.inp (generated)

000050914.b3lyp_6-31g(d).smash.inp (generated)

000050914.b3lyp_6-31g(d).nwchem.inp (generated) 000050914.b3lyp_6-31g(d).log.xz 000050914.td-b3lyp_6-31g+(d).inp 000050914.td-b3lyp_6-31g+(d).log.xz

000050914.td-b3lyp_6-31+g(d).qchem.inp (generated)

000050914.td-b3lyp_6-31+g(d).gjf (generated)

000050914.td-b3lyp_6-31+g(d).firefly.inp (generated)

000050914.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000050914.mol 000050914.PUBCHEM 000050914.mol (via Jmol)
000050919.b3lyp_6-31g(d).inp

000050919.b3lyp_6-31g(d).qchem.inp (generated)

000050919.b3lyp_6-31g(d).gjf (generated)

000050919.b3lyp_6-31g(d).firefly.inp (generated)

000050919.b3lyp_6-31g(d).smash.inp (generated)

000050919.b3lyp_6-31g(d).nwchem.inp (generated) 000050919.b3lyp_6-31g(d).log.xz 000050919.td-b3lyp_6-31g+(d).inp 000050919.td-b3lyp_6-31g+(d).log.xz

000050919.td-b3lyp_6-31+g(d).qchem.inp (generated)

000050919.td-b3lyp_6-31+g(d).gjf (generated)

000050919.td-b3lyp_6-31+g(d).firefly.inp (generated)

000050919.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000050919.mol 000050919.PUBCHEM 000050919.mol (via Jmol)
000050920.b3lyp_6-31g(d).inp

000050920.b3lyp_6-31g(d).qchem.inp (generated)

000050920.b3lyp_6-31g(d).gjf (generated)

000050920.b3lyp_6-31g(d).firefly.inp (generated)

000050920.b3lyp_6-31g(d).smash.inp (generated)

000050920.b3lyp_6-31g(d).nwchem.inp (generated) 000050920.b3lyp_6-31g(d).log.xz 000050920.td-b3lyp_6-31g+(d).inp 000050920.td-b3lyp_6-31g+(d).log.xz

000050920.td-b3lyp_6-31+g(d).qchem.inp (generated)

000050920.td-b3lyp_6-31+g(d).gjf (generated)

000050920.td-b3lyp_6-31+g(d).firefly.inp (generated)

000050920.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000050920.mol 000050920.PUBCHEM 000050920.mol (via Jmol)
000050933.b3lyp_6-31g(d).inp

000050933.b3lyp_6-31g(d).qchem.inp (generated)

000050933.b3lyp_6-31g(d).gjf (generated)

000050933.b3lyp_6-31g(d).firefly.inp (generated)

000050933.b3lyp_6-31g(d).smash.inp (generated)

000050933.b3lyp_6-31g(d).nwchem.inp (generated) 000050933.b3lyp_6-31g(d).log.xz 000050933.td-b3lyp_6-31g+(d).inp 000050933.td-b3lyp_6-31g+(d).log.xz

000050933.td-b3lyp_6-31+g(d).qchem.inp (generated)

000050933.td-b3lyp_6-31+g(d).gjf (generated)

000050933.td-b3lyp_6-31+g(d).firefly.inp (generated)

000050933.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000050933.mol 000050933.PUBCHEM 000050933.mol (via Jmol)
000050941.b3lyp_6-31g(d).inp

000050941.b3lyp_6-31g(d).qchem.inp (generated)

000050941.b3lyp_6-31g(d).gjf (generated)

000050941.b3lyp_6-31g(d).firefly.inp (generated)

000050941.b3lyp_6-31g(d).smash.inp (generated)

000050941.b3lyp_6-31g(d).nwchem.inp (generated) 000050941.b3lyp_6-31g(d).log.xz 000050941.td-b3lyp_6-31g+(d).inp 000050941.td-b3lyp_6-31g+(d).log.xz

000050941.td-b3lyp_6-31+g(d).qchem.inp (generated)

000050941.td-b3lyp_6-31+g(d).gjf (generated)

000050941.td-b3lyp_6-31+g(d).firefly.inp (generated)

000050941.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000050941.mol 000050941.PUBCHEM 000050941.mol (via Jmol)
000050959.b3lyp_6-31g(d).inp

000050959.b3lyp_6-31g(d).qchem.inp (generated)

000050959.b3lyp_6-31g(d).gjf (generated)

000050959.b3lyp_6-31g(d).firefly.inp (generated)

000050959.b3lyp_6-31g(d).smash.inp (generated)

000050959.b3lyp_6-31g(d).nwchem.inp (generated) 000050959.b3lyp_6-31g(d).log.xz 000050959.td-b3lyp_6-31g+(d).inp 000050959.td-b3lyp_6-31g+(d).log.xz

000050959.td-b3lyp_6-31+g(d).qchem.inp (generated)

000050959.td-b3lyp_6-31+g(d).gjf (generated)

000050959.td-b3lyp_6-31+g(d).firefly.inp (generated)

000050959.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000050959.mol 000050959.PUBCHEM 000050959.mol (via Jmol)
000050960.b3lyp_6-31g(d).inp

000050960.b3lyp_6-31g(d).qchem.inp (generated)

000050960.b3lyp_6-31g(d).gjf (generated)

000050960.b3lyp_6-31g(d).firefly.inp (generated)

000050960.b3lyp_6-31g(d).smash.inp (generated)

000050960.b3lyp_6-31g(d).nwchem.inp (generated) 000050960.b3lyp_6-31g(d).log.xz 000050960.td-b3lyp_6-31g+(d).inp 000050960.td-b3lyp_6-31g+(d).log.xz

000050960.td-b3lyp_6-31+g(d).qchem.inp (generated)

000050960.td-b3lyp_6-31+g(d).gjf (generated)

000050960.td-b3lyp_6-31+g(d).firefly.inp (generated)

000050960.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000050960.mol 000050960.PUBCHEM 000050960.mol (via Jmol)
000050969.b3lyp_6-31g(d).inp

000050969.b3lyp_6-31g(d).qchem.inp (generated)

000050969.b3lyp_6-31g(d).gjf (generated)

000050969.b3lyp_6-31g(d).firefly.inp (generated)

000050969.b3lyp_6-31g(d).smash.inp (generated)

000050969.b3lyp_6-31g(d).nwchem.inp (generated) 000050969.b3lyp_6-31g(d).log.xz 000050969.td-b3lyp_6-31g+(d).inp 000050969.td-b3lyp_6-31g+(d).log.xz

000050969.td-b3lyp_6-31+g(d).qchem.inp (generated)

000050969.td-b3lyp_6-31+g(d).gjf (generated)

000050969.td-b3lyp_6-31+g(d).firefly.inp (generated)

000050969.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000050969.mol 000050969.PUBCHEM 000050969.mol (via Jmol)
000050973.b3lyp_6-31g(d).inp

000050973.b3lyp_6-31g(d).qchem.inp (generated)

000050973.b3lyp_6-31g(d).gjf (generated)

000050973.b3lyp_6-31g(d).firefly.inp (generated)

000050973.b3lyp_6-31g(d).smash.inp (generated)

000050973.b3lyp_6-31g(d).nwchem.inp (generated) 000050973.b3lyp_6-31g(d).log.xz 000050973.td-b3lyp_6-31g+(d).inp 000050973.td-b3lyp_6-31g+(d).log.xz

000050973.td-b3lyp_6-31+g(d).qchem.inp (generated)

000050973.td-b3lyp_6-31+g(d).gjf (generated)

000050973.td-b3lyp_6-31+g(d).firefly.inp (generated)

000050973.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000050973.mol 000050973.PUBCHEM 000050973.mol (via Jmol)
000050974.b3lyp_6-31g(d).inp

000050974.b3lyp_6-31g(d).qchem.inp (generated)

000050974.b3lyp_6-31g(d).gjf (generated)

000050974.b3lyp_6-31g(d).firefly.inp (generated)

000050974.b3lyp_6-31g(d).smash.inp (generated)

000050974.b3lyp_6-31g(d).nwchem.inp (generated) 000050974.b3lyp_6-31g(d).log.xz 000050974.td-b3lyp_6-31g+(d).inp 000050974.td-b3lyp_6-31g+(d).log.xz

000050974.td-b3lyp_6-31+g(d).qchem.inp (generated)

000050974.td-b3lyp_6-31+g(d).gjf (generated)

000050974.td-b3lyp_6-31+g(d).firefly.inp (generated)

000050974.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000050974.mol 000050974.PUBCHEM 000050974.mol (via Jmol)
000050975.b3lyp_6-31g(d).inp

000050975.b3lyp_6-31g(d).qchem.inp (generated)

000050975.b3lyp_6-31g(d).gjf (generated)

000050975.b3lyp_6-31g(d).firefly.inp (generated)

000050975.b3lyp_6-31g(d).smash.inp (generated)

000050975.b3lyp_6-31g(d).nwchem.inp (generated) 000050975.b3lyp_6-31g(d).log.xz 000050975.td-b3lyp_6-31g+(d).inp 000050975.td-b3lyp_6-31g+(d).log.xz

000050975.td-b3lyp_6-31+g(d).qchem.inp (generated)

000050975.td-b3lyp_6-31+g(d).gjf (generated)

000050975.td-b3lyp_6-31+g(d).firefly.inp (generated)

000050975.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000050975.mol 000050975.PUBCHEM 000050975.mol (via Jmol)
000050976.b3lyp_6-31g(d).inp

000050976.b3lyp_6-31g(d).qchem.inp (generated)

000050976.b3lyp_6-31g(d).gjf (generated)

000050976.b3lyp_6-31g(d).firefly.inp (generated)

000050976.b3lyp_6-31g(d).smash.inp (generated)

000050976.b3lyp_6-31g(d).nwchem.inp (generated) 000050976.b3lyp_6-31g(d).log.xz 000050976.td-b3lyp_6-31g+(d).inp 000050976.td-b3lyp_6-31g+(d).log.xz

000050976.td-b3lyp_6-31+g(d).qchem.inp (generated)

000050976.td-b3lyp_6-31+g(d).gjf (generated)

000050976.td-b3lyp_6-31+g(d).firefly.inp (generated)

000050976.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000050976.mol 000050976.PUBCHEM 000050976.mol (via Jmol)
000050977.b3lyp_6-31g(d).inp

000050977.b3lyp_6-31g(d).qchem.inp (generated)

000050977.b3lyp_6-31g(d).gjf (generated)

000050977.b3lyp_6-31g(d).firefly.inp (generated)

000050977.b3lyp_6-31g(d).smash.inp (generated)

000050977.b3lyp_6-31g(d).nwchem.inp (generated) 000050977.b3lyp_6-31g(d).log.xz 000050977.td-b3lyp_6-31g+(d).inp 000050977.td-b3lyp_6-31g+(d).log.xz

000050977.td-b3lyp_6-31+g(d).qchem.inp (generated)

000050977.td-b3lyp_6-31+g(d).gjf (generated)

000050977.td-b3lyp_6-31+g(d).firefly.inp (generated)

000050977.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000050977.mol 000050977.PUBCHEM 000050977.mol (via Jmol)
000050978.b3lyp_6-31g(d).inp

000050978.b3lyp_6-31g(d).qchem.inp (generated)

000050978.b3lyp_6-31g(d).gjf (generated)

000050978.b3lyp_6-31g(d).firefly.inp (generated)

000050978.b3lyp_6-31g(d).smash.inp (generated)

000050978.b3lyp_6-31g(d).nwchem.inp (generated) 000050978.b3lyp_6-31g(d).log.xz 000050978.td-b3lyp_6-31g+(d).inp 000050978.td-b3lyp_6-31g+(d).log.xz

000050978.td-b3lyp_6-31+g(d).qchem.inp (generated)

000050978.td-b3lyp_6-31+g(d).gjf (generated)

000050978.td-b3lyp_6-31+g(d).firefly.inp (generated)

000050978.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000050978.mol 000050978.PUBCHEM 000050978.mol (via Jmol)
000050985.b3lyp_6-31g(d).inp

000050985.b3lyp_6-31g(d).qchem.inp (generated)

000050985.b3lyp_6-31g(d).gjf (generated)

000050985.b3lyp_6-31g(d).firefly.inp (generated)

000050985.b3lyp_6-31g(d).smash.inp (generated)

000050985.b3lyp_6-31g(d).nwchem.inp (generated) 000050985.b3lyp_6-31g(d).log.xz 000050985.td-b3lyp_6-31g+(d).inp 000050985.td-b3lyp_6-31g+(d).log.xz

000050985.td-b3lyp_6-31+g(d).qchem.inp (generated)

000050985.td-b3lyp_6-31+g(d).gjf (generated)

000050985.td-b3lyp_6-31+g(d).firefly.inp (generated)

000050985.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000050985.mol 000050985.PUBCHEM 000050985.mol (via Jmol)
000050987.b3lyp_6-31g(d).inp

000050987.b3lyp_6-31g(d).qchem.inp (generated)

000050987.b3lyp_6-31g(d).gjf (generated)

000050987.b3lyp_6-31g(d).firefly.inp (generated)

000050987.b3lyp_6-31g(d).smash.inp (generated)

000050987.b3lyp_6-31g(d).nwchem.inp (generated) 000050987.b3lyp_6-31g(d).log.xz 000050987.td-b3lyp_6-31g+(d).inp 000050987.td-b3lyp_6-31g+(d).log.xz

000050987.td-b3lyp_6-31+g(d).qchem.inp (generated)

000050987.td-b3lyp_6-31+g(d).gjf (generated)

000050987.td-b3lyp_6-31+g(d).firefly.inp (generated)

000050987.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000050987.mol 000050987.PUBCHEM 000050987.mol (via Jmol)
000050989.b3lyp_6-31g(d).inp

000050989.b3lyp_6-31g(d).qchem.inp (generated)

000050989.b3lyp_6-31g(d).gjf (generated)

000050989.b3lyp_6-31g(d).firefly.inp (generated)

000050989.b3lyp_6-31g(d).smash.inp (generated)

000050989.b3lyp_6-31g(d).nwchem.inp (generated) 000050989.b3lyp_6-31g(d).log.xz 000050989.td-b3lyp_6-31g+(d).inp 000050989.td-b3lyp_6-31g+(d).log.xz

000050989.td-b3lyp_6-31+g(d).qchem.inp (generated)

000050989.td-b3lyp_6-31+g(d).gjf (generated)

000050989.td-b3lyp_6-31+g(d).firefly.inp (generated)

000050989.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000050989.mol 000050989.PUBCHEM 000050989.mol (via Jmol)
000051003.b3lyp_6-31g(d).inp

000051003.b3lyp_6-31g(d).qchem.inp (generated)

000051003.b3lyp_6-31g(d).gjf (generated)

000051003.b3lyp_6-31g(d).firefly.inp (generated)

000051003.b3lyp_6-31g(d).smash.inp (generated)

000051003.b3lyp_6-31g(d).nwchem.inp (generated) 000051003.b3lyp_6-31g(d).log.xz 000051003.td-b3lyp_6-31g+(d).inp 000051003.td-b3lyp_6-31g+(d).log.xz

000051003.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051003.td-b3lyp_6-31+g(d).gjf (generated)

000051003.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051003.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051003.mol 000051003.PUBCHEM 000051003.mol (via Jmol)
000051005.b3lyp_6-31g(d).inp

000051005.b3lyp_6-31g(d).qchem.inp (generated)

000051005.b3lyp_6-31g(d).gjf (generated)

000051005.b3lyp_6-31g(d).firefly.inp (generated)

000051005.b3lyp_6-31g(d).smash.inp (generated)

000051005.b3lyp_6-31g(d).nwchem.inp (generated) 000051005.b3lyp_6-31g(d).log.xz 000051005.td-b3lyp_6-31g+(d).inp 000051005.td-b3lyp_6-31g+(d).log.xz

000051005.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051005.td-b3lyp_6-31+g(d).gjf (generated)

000051005.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051005.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051005.mol 000051005.PUBCHEM 000051005.mol (via Jmol)
000051007.b3lyp_6-31g(d).inp

000051007.b3lyp_6-31g(d).qchem.inp (generated)

000051007.b3lyp_6-31g(d).gjf (generated)

000051007.b3lyp_6-31g(d).firefly.inp (generated)

000051007.b3lyp_6-31g(d).smash.inp (generated)

000051007.b3lyp_6-31g(d).nwchem.inp (generated) 000051007.b3lyp_6-31g(d).log.xz 000051007.td-b3lyp_6-31g+(d).inp 000051007.td-b3lyp_6-31g+(d).log.xz

000051007.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051007.td-b3lyp_6-31+g(d).gjf (generated)

000051007.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051007.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051007.mol 000051007.PUBCHEM 000051007.mol (via Jmol)
000051009.b3lyp_6-31g(d).inp

000051009.b3lyp_6-31g(d).qchem.inp (generated)

000051009.b3lyp_6-31g(d).gjf (generated)

000051009.b3lyp_6-31g(d).firefly.inp (generated)

000051009.b3lyp_6-31g(d).smash.inp (generated)

000051009.b3lyp_6-31g(d).nwchem.inp (generated) 000051009.b3lyp_6-31g(d).log.xz 000051009.td-b3lyp_6-31g+(d).inp 000051009.td-b3lyp_6-31g+(d).log.xz

000051009.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051009.td-b3lyp_6-31+g(d).gjf (generated)

000051009.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051009.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051009.mol 000051009.PUBCHEM 000051009.mol (via Jmol)
000051011.b3lyp_6-31g(d).inp

000051011.b3lyp_6-31g(d).qchem.inp (generated)

000051011.b3lyp_6-31g(d).gjf (generated)

000051011.b3lyp_6-31g(d).firefly.inp (generated)

000051011.b3lyp_6-31g(d).smash.inp (generated)

000051011.b3lyp_6-31g(d).nwchem.inp (generated) 000051011.b3lyp_6-31g(d).log.xz 000051011.td-b3lyp_6-31g+(d).inp 000051011.td-b3lyp_6-31g+(d).log.xz

000051011.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051011.td-b3lyp_6-31+g(d).gjf (generated)

000051011.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051011.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051011.mol 000051011.PUBCHEM 000051011.mol (via Jmol)
000051012.b3lyp_6-31g(d).inp

000051012.b3lyp_6-31g(d).qchem.inp (generated)

000051012.b3lyp_6-31g(d).gjf (generated)

000051012.b3lyp_6-31g(d).firefly.inp (generated)

000051012.b3lyp_6-31g(d).smash.inp (generated)

000051012.b3lyp_6-31g(d).nwchem.inp (generated) 000051012.b3lyp_6-31g(d).log.xz 000051012.td-b3lyp_6-31g+(d).inp 000051012.td-b3lyp_6-31g+(d).log.xz

000051012.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051012.td-b3lyp_6-31+g(d).gjf (generated)

000051012.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051012.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051012.mol 000051012.PUBCHEM 000051012.mol (via Jmol)
000051018.b3lyp_6-31g(d).inp

000051018.b3lyp_6-31g(d).qchem.inp (generated)

000051018.b3lyp_6-31g(d).gjf (generated)

000051018.b3lyp_6-31g(d).firefly.inp (generated)

000051018.b3lyp_6-31g(d).smash.inp (generated)

000051018.b3lyp_6-31g(d).nwchem.inp (generated) 000051018.b3lyp_6-31g(d).log.xz 000051018.td-b3lyp_6-31g+(d).inp 000051018.td-b3lyp_6-31g+(d).log.xz

000051018.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051018.td-b3lyp_6-31+g(d).gjf (generated)

000051018.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051018.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051018.mol 000051018.PUBCHEM 000051018.mol (via Jmol)
000051035.b3lyp_6-31g(d).inp

000051035.b3lyp_6-31g(d).qchem.inp (generated)

000051035.b3lyp_6-31g(d).gjf (generated)

000051035.b3lyp_6-31g(d).firefly.inp (generated)

000051035.b3lyp_6-31g(d).smash.inp (generated)

000051035.b3lyp_6-31g(d).nwchem.inp (generated) 000051035.b3lyp_6-31g(d).log.xz 000051035.td-b3lyp_6-31g+(d).inp 000051035.td-b3lyp_6-31g+(d).log.xz

000051035.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051035.td-b3lyp_6-31+g(d).gjf (generated)

000051035.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051035.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051035.mol 000051035.PUBCHEM 000051035.mol (via Jmol)
000051055.b3lyp_6-31g(d).inp

000051055.b3lyp_6-31g(d).qchem.inp (generated)

000051055.b3lyp_6-31g(d).gjf (generated)

000051055.b3lyp_6-31g(d).firefly.inp (generated)

000051055.b3lyp_6-31g(d).smash.inp (generated)

000051055.b3lyp_6-31g(d).nwchem.inp (generated) 000051055.b3lyp_6-31g(d).log.xz 000051055.td-b3lyp_6-31g+(d).inp 000051055.td-b3lyp_6-31g+(d).log.xz

000051055.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051055.td-b3lyp_6-31+g(d).gjf (generated)

000051055.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051055.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051055.mol 000051055.PUBCHEM 000051055.mol (via Jmol)
000051057.b3lyp_6-31g(d).inp

000051057.b3lyp_6-31g(d).qchem.inp (generated)

000051057.b3lyp_6-31g(d).gjf (generated)

000051057.b3lyp_6-31g(d).firefly.inp (generated)

000051057.b3lyp_6-31g(d).smash.inp (generated)

000051057.b3lyp_6-31g(d).nwchem.inp (generated) 000051057.b3lyp_6-31g(d).log.xz 000051057.td-b3lyp_6-31g+(d).inp 000051057.td-b3lyp_6-31g+(d).log.xz

000051057.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051057.td-b3lyp_6-31+g(d).gjf (generated)

000051057.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051057.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051057.mol 000051057.PUBCHEM 000051057.mol (via Jmol)
000051059.b3lyp_6-31g(d).inp

000051059.b3lyp_6-31g(d).qchem.inp (generated)

000051059.b3lyp_6-31g(d).gjf (generated)

000051059.b3lyp_6-31g(d).firefly.inp (generated)

000051059.b3lyp_6-31g(d).smash.inp (generated)

000051059.b3lyp_6-31g(d).nwchem.inp (generated) 000051059.b3lyp_6-31g(d).log.xz 000051059.td-b3lyp_6-31g+(d).inp 000051059.td-b3lyp_6-31g+(d).log.xz

000051059.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051059.td-b3lyp_6-31+g(d).gjf (generated)

000051059.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051059.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051059.mol 000051059.PUBCHEM 000051059.mol (via Jmol)
000051061.b3lyp_6-31g(d).inp

000051061.b3lyp_6-31g(d).qchem.inp (generated)

000051061.b3lyp_6-31g(d).gjf (generated)

000051061.b3lyp_6-31g(d).firefly.inp (generated)

000051061.b3lyp_6-31g(d).smash.inp (generated)

000051061.b3lyp_6-31g(d).nwchem.inp (generated) 000051061.b3lyp_6-31g(d).log.xz 000051061.td-b3lyp_6-31g+(d).inp 000051061.td-b3lyp_6-31g+(d).log.xz

000051061.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051061.td-b3lyp_6-31+g(d).gjf (generated)

000051061.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051061.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051061.mol 000051061.PUBCHEM 000051061.mol (via Jmol)
000051063.b3lyp_6-31g(d).inp

000051063.b3lyp_6-31g(d).qchem.inp (generated)

000051063.b3lyp_6-31g(d).gjf (generated)

000051063.b3lyp_6-31g(d).firefly.inp (generated)

000051063.b3lyp_6-31g(d).smash.inp (generated)

000051063.b3lyp_6-31g(d).nwchem.inp (generated) 000051063.b3lyp_6-31g(d).log.xz 000051063.td-b3lyp_6-31g+(d).inp 000051063.td-b3lyp_6-31g+(d).log.xz

000051063.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051063.td-b3lyp_6-31+g(d).gjf (generated)

000051063.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051063.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051063.mol 000051063.PUBCHEM 000051063.mol (via Jmol)
000051065.b3lyp_6-31g(d).inp

000051065.b3lyp_6-31g(d).qchem.inp (generated)

000051065.b3lyp_6-31g(d).gjf (generated)

000051065.b3lyp_6-31g(d).firefly.inp (generated)

000051065.b3lyp_6-31g(d).smash.inp (generated)

000051065.b3lyp_6-31g(d).nwchem.inp (generated) 000051065.b3lyp_6-31g(d).log.xz 000051065.td-b3lyp_6-31g+(d).inp 000051065.td-b3lyp_6-31g+(d).log.xz

000051065.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051065.td-b3lyp_6-31+g(d).gjf (generated)

000051065.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051065.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051065.mol 000051065.PUBCHEM 000051065.mol (via Jmol)
000051067.b3lyp_6-31g(d).inp

000051067.b3lyp_6-31g(d).qchem.inp (generated)

000051067.b3lyp_6-31g(d).gjf (generated)

000051067.b3lyp_6-31g(d).firefly.inp (generated)

000051067.b3lyp_6-31g(d).smash.inp (generated)

000051067.b3lyp_6-31g(d).nwchem.inp (generated) 000051067.b3lyp_6-31g(d).log.xz 000051067.td-b3lyp_6-31g+(d).inp 000051067.td-b3lyp_6-31g+(d).log.xz

000051067.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051067.td-b3lyp_6-31+g(d).gjf (generated)

000051067.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051067.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051067.mol 000051067.PUBCHEM 000051067.mol (via Jmol)
000051069.b3lyp_6-31g(d).inp

000051069.b3lyp_6-31g(d).qchem.inp (generated)

000051069.b3lyp_6-31g(d).gjf (generated)

000051069.b3lyp_6-31g(d).firefly.inp (generated)

000051069.b3lyp_6-31g(d).smash.inp (generated)

000051069.b3lyp_6-31g(d).nwchem.inp (generated) 000051069.b3lyp_6-31g(d).log.xz 000051069.td-b3lyp_6-31g+(d).inp 000051069.td-b3lyp_6-31g+(d).log.xz

000051069.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051069.td-b3lyp_6-31+g(d).gjf (generated)

000051069.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051069.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051069.mol 000051069.PUBCHEM 000051069.mol (via Jmol)
000051071.b3lyp_6-31g(d).inp

000051071.b3lyp_6-31g(d).qchem.inp (generated)

000051071.b3lyp_6-31g(d).gjf (generated)

000051071.b3lyp_6-31g(d).firefly.inp (generated)

000051071.b3lyp_6-31g(d).smash.inp (generated)

000051071.b3lyp_6-31g(d).nwchem.inp (generated) 000051071.b3lyp_6-31g(d).log.xz 000051071.td-b3lyp_6-31g+(d).inp 000051071.td-b3lyp_6-31g+(d).log.xz

000051071.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051071.td-b3lyp_6-31+g(d).gjf (generated)

000051071.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051071.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051071.mol 000051071.PUBCHEM 000051071.mol (via Jmol)
000051073.b3lyp_6-31g(d).inp

000051073.b3lyp_6-31g(d).qchem.inp (generated)

000051073.b3lyp_6-31g(d).gjf (generated)

000051073.b3lyp_6-31g(d).firefly.inp (generated)

000051073.b3lyp_6-31g(d).smash.inp (generated)

000051073.b3lyp_6-31g(d).nwchem.inp (generated) 000051073.b3lyp_6-31g(d).log.xz 000051073.td-b3lyp_6-31g+(d).inp 000051073.td-b3lyp_6-31g+(d).log.xz

000051073.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051073.td-b3lyp_6-31+g(d).gjf (generated)

000051073.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051073.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051073.mol 000051073.PUBCHEM 000051073.mol (via Jmol)
000051078.b3lyp_6-31g(d).inp

000051078.b3lyp_6-31g(d).qchem.inp (generated)

000051078.b3lyp_6-31g(d).gjf (generated)

000051078.b3lyp_6-31g(d).firefly.inp (generated)

000051078.b3lyp_6-31g(d).smash.inp (generated)

000051078.b3lyp_6-31g(d).nwchem.inp (generated) 000051078.b3lyp_6-31g(d).log.xz 000051078.td-b3lyp_6-31g+(d).inp 000051078.td-b3lyp_6-31g+(d).log.xz

000051078.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051078.td-b3lyp_6-31+g(d).gjf (generated)

000051078.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051078.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051078.mol 000051078.PUBCHEM 000051078.mol (via Jmol)
000051079.b3lyp_6-31g(d).inp

000051079.b3lyp_6-31g(d).qchem.inp (generated)

000051079.b3lyp_6-31g(d).gjf (generated)

000051079.b3lyp_6-31g(d).firefly.inp (generated)

000051079.b3lyp_6-31g(d).smash.inp (generated)

000051079.b3lyp_6-31g(d).nwchem.inp (generated) 000051079.b3lyp_6-31g(d).log.xz 000051079.td-b3lyp_6-31g+(d).inp 000051079.td-b3lyp_6-31g+(d).log.xz

000051079.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051079.td-b3lyp_6-31+g(d).gjf (generated)

000051079.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051079.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051079.mol 000051079.PUBCHEM 000051079.mol (via Jmol)
000051080.b3lyp_6-31g(d).inp

000051080.b3lyp_6-31g(d).qchem.inp (generated)

000051080.b3lyp_6-31g(d).gjf (generated)

000051080.b3lyp_6-31g(d).firefly.inp (generated)

000051080.b3lyp_6-31g(d).smash.inp (generated)

000051080.b3lyp_6-31g(d).nwchem.inp (generated) 000051080.b3lyp_6-31g(d).log.xz 000051080.td-b3lyp_6-31g+(d).inp 000051080.td-b3lyp_6-31g+(d).log.xz

000051080.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051080.td-b3lyp_6-31+g(d).gjf (generated)

000051080.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051080.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051080.mol 000051080.PUBCHEM 000051080.mol (via Jmol)
000051083.b3lyp_6-31g(d).inp

000051083.b3lyp_6-31g(d).qchem.inp (generated)

000051083.b3lyp_6-31g(d).gjf (generated)

000051083.b3lyp_6-31g(d).firefly.inp (generated)

000051083.b3lyp_6-31g(d).smash.inp (generated)

000051083.b3lyp_6-31g(d).nwchem.inp (generated) 000051083.b3lyp_6-31g(d).log.xz 000051083.td-b3lyp_6-31g+(d).inp 000051083.td-b3lyp_6-31g+(d).log.xz

000051083.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051083.td-b3lyp_6-31+g(d).gjf (generated)

000051083.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051083.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051083.mol 000051083.PUBCHEM 000051083.mol (via Jmol)
000051089.b3lyp_6-31g(d).inp

000051089.b3lyp_6-31g(d).qchem.inp (generated)

000051089.b3lyp_6-31g(d).gjf (generated)

000051089.b3lyp_6-31g(d).firefly.inp (generated)

000051089.b3lyp_6-31g(d).smash.inp (generated)

000051089.b3lyp_6-31g(d).nwchem.inp (generated) 000051089.b3lyp_6-31g(d).log.xz 000051089.td-b3lyp_6-31g+(d).inp 000051089.td-b3lyp_6-31g+(d).log.xz

000051089.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051089.td-b3lyp_6-31+g(d).gjf (generated)

000051089.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051089.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051089.mol 000051089.PUBCHEM 000051089.mol (via Jmol)
000051108.b3lyp_6-31g(d).inp

000051108.b3lyp_6-31g(d).qchem.inp (generated)

000051108.b3lyp_6-31g(d).gjf (generated)

000051108.b3lyp_6-31g(d).firefly.inp (generated)

000051108.b3lyp_6-31g(d).smash.inp (generated)

000051108.b3lyp_6-31g(d).nwchem.inp (generated) 000051108.b3lyp_6-31g(d).log.xz 000051108.td-b3lyp_6-31g+(d).inp 000051108.td-b3lyp_6-31g+(d).log.xz

000051108.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051108.td-b3lyp_6-31+g(d).gjf (generated)

000051108.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051108.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051108.mol 000051108.PUBCHEM 000051108.mol (via Jmol)
000051109.b3lyp_6-31g(d).inp

000051109.b3lyp_6-31g(d).qchem.inp (generated)

000051109.b3lyp_6-31g(d).gjf (generated)

000051109.b3lyp_6-31g(d).firefly.inp (generated)

000051109.b3lyp_6-31g(d).smash.inp (generated)

000051109.b3lyp_6-31g(d).nwchem.inp (generated) 000051109.b3lyp_6-31g(d).log.xz 000051109.td-b3lyp_6-31g+(d).inp 000051109.td-b3lyp_6-31g+(d).log.xz

000051109.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051109.td-b3lyp_6-31+g(d).gjf (generated)

000051109.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051109.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051109.mol 000051109.PUBCHEM 000051109.mol (via Jmol)
000051110.b3lyp_6-31g(d).inp

000051110.b3lyp_6-31g(d).qchem.inp (generated)

000051110.b3lyp_6-31g(d).gjf (generated)

000051110.b3lyp_6-31g(d).firefly.inp (generated)

000051110.b3lyp_6-31g(d).smash.inp (generated)

000051110.b3lyp_6-31g(d).nwchem.inp (generated) 000051110.b3lyp_6-31g(d).log.xz 000051110.td-b3lyp_6-31g+(d).inp 000051110.td-b3lyp_6-31g+(d).log.xz

000051110.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051110.td-b3lyp_6-31+g(d).gjf (generated)

000051110.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051110.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051110.mol 000051110.PUBCHEM 000051110.mol (via Jmol)
000051111.b3lyp_6-31g(d).inp

000051111.b3lyp_6-31g(d).qchem.inp (generated)

000051111.b3lyp_6-31g(d).gjf (generated)

000051111.b3lyp_6-31g(d).firefly.inp (generated)

000051111.b3lyp_6-31g(d).smash.inp (generated)

000051111.b3lyp_6-31g(d).nwchem.inp (generated) 000051111.b3lyp_6-31g(d).log.xz 000051111.td-b3lyp_6-31g+(d).inp 000051111.td-b3lyp_6-31g+(d).log.xz

000051111.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051111.td-b3lyp_6-31+g(d).gjf (generated)

000051111.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051111.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051111.mol 000051111.PUBCHEM 000051111.mol (via Jmol)
000051112.b3lyp_6-31g(d).inp

000051112.b3lyp_6-31g(d).qchem.inp (generated)

000051112.b3lyp_6-31g(d).gjf (generated)

000051112.b3lyp_6-31g(d).firefly.inp (generated)

000051112.b3lyp_6-31g(d).smash.inp (generated)

000051112.b3lyp_6-31g(d).nwchem.inp (generated) 000051112.b3lyp_6-31g(d).log.xz 000051112.td-b3lyp_6-31g+(d).inp 000051112.td-b3lyp_6-31g+(d).log.xz

000051112.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051112.td-b3lyp_6-31+g(d).gjf (generated)

000051112.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051112.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051112.mol 000051112.PUBCHEM 000051112.mol (via Jmol)
000051114.b3lyp_6-31g(d).inp

000051114.b3lyp_6-31g(d).qchem.inp (generated)

000051114.b3lyp_6-31g(d).gjf (generated)

000051114.b3lyp_6-31g(d).firefly.inp (generated)

000051114.b3lyp_6-31g(d).smash.inp (generated)

000051114.b3lyp_6-31g(d).nwchem.inp (generated) 000051114.b3lyp_6-31g(d).log.xz 000051114.td-b3lyp_6-31g+(d).inp 000051114.td-b3lyp_6-31g+(d).log.xz

000051114.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051114.td-b3lyp_6-31+g(d).gjf (generated)

000051114.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051114.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051114.mol 000051114.PUBCHEM 000051114.mol (via Jmol)
000051120.b3lyp_6-31g(d).inp

000051120.b3lyp_6-31g(d).qchem.inp (generated)

000051120.b3lyp_6-31g(d).gjf (generated)

000051120.b3lyp_6-31g(d).firefly.inp (generated)

000051120.b3lyp_6-31g(d).smash.inp (generated)

000051120.b3lyp_6-31g(d).nwchem.inp (generated) 000051120.b3lyp_6-31g(d).log.xz 000051120.td-b3lyp_6-31g+(d).inp 000051120.td-b3lyp_6-31g+(d).log.xz

000051120.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051120.td-b3lyp_6-31+g(d).gjf (generated)

000051120.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051120.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051120.mol 000051120.PUBCHEM 000051120.mol (via Jmol)
000051132.b3lyp_6-31g(d).inp

000051132.b3lyp_6-31g(d).qchem.inp (generated)

000051132.b3lyp_6-31g(d).gjf (generated)

000051132.b3lyp_6-31g(d).firefly.inp (generated)

000051132.b3lyp_6-31g(d).smash.inp (generated)

000051132.b3lyp_6-31g(d).nwchem.inp (generated) 000051132.b3lyp_6-31g(d).log.xz 000051132.td-b3lyp_6-31g+(d).inp 000051132.td-b3lyp_6-31g+(d).log.xz

000051132.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051132.td-b3lyp_6-31+g(d).gjf (generated)

000051132.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051132.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051132.mol 000051132.PUBCHEM 000051132.mol (via Jmol)
000051134.b3lyp_6-31g(d).inp

000051134.b3lyp_6-31g(d).qchem.inp (generated)

000051134.b3lyp_6-31g(d).gjf (generated)

000051134.b3lyp_6-31g(d).firefly.inp (generated)

000051134.b3lyp_6-31g(d).smash.inp (generated)

000051134.b3lyp_6-31g(d).nwchem.inp (generated) 000051134.b3lyp_6-31g(d).log.xz 000051134.td-b3lyp_6-31g+(d).inp 000051134.td-b3lyp_6-31g+(d).log.xz

000051134.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051134.td-b3lyp_6-31+g(d).gjf (generated)

000051134.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051134.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051134.mol 000051134.PUBCHEM 000051134.mol (via Jmol)
000051144.b3lyp_6-31g(d).inp

000051144.b3lyp_6-31g(d).qchem.inp (generated)

000051144.b3lyp_6-31g(d).gjf (generated)

000051144.b3lyp_6-31g(d).firefly.inp (generated)

000051144.b3lyp_6-31g(d).smash.inp (generated)

000051144.b3lyp_6-31g(d).nwchem.inp (generated) 000051144.b3lyp_6-31g(d).log.xz 000051144.td-b3lyp_6-31g+(d).inp 000051144.td-b3lyp_6-31g+(d).log.xz

000051144.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051144.td-b3lyp_6-31+g(d).gjf (generated)

000051144.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051144.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051144.mol 000051144.PUBCHEM 000051144.mol (via Jmol)
000051146.b3lyp_6-31g(d).inp

000051146.b3lyp_6-31g(d).qchem.inp (generated)

000051146.b3lyp_6-31g(d).gjf (generated)

000051146.b3lyp_6-31g(d).firefly.inp (generated)

000051146.b3lyp_6-31g(d).smash.inp (generated)

000051146.b3lyp_6-31g(d).nwchem.inp (generated) 000051146.b3lyp_6-31g(d).log.xz 000051146.td-b3lyp_6-31g+(d).inp 000051146.td-b3lyp_6-31g+(d).log.xz

000051146.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051146.td-b3lyp_6-31+g(d).gjf (generated)

000051146.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051146.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051146.mol 000051146.PUBCHEM 000051146.mol (via Jmol)
000051148.b3lyp_6-31g(d).inp

000051148.b3lyp_6-31g(d).qchem.inp (generated)

000051148.b3lyp_6-31g(d).gjf (generated)

000051148.b3lyp_6-31g(d).firefly.inp (generated)

000051148.b3lyp_6-31g(d).smash.inp (generated)

000051148.b3lyp_6-31g(d).nwchem.inp (generated) 000051148.b3lyp_6-31g(d).log.xz 000051148.td-b3lyp_6-31g+(d).inp 000051148.td-b3lyp_6-31g+(d).log.xz

000051148.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051148.td-b3lyp_6-31+g(d).gjf (generated)

000051148.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051148.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051148.mol 000051148.PUBCHEM 000051148.mol (via Jmol)
000051152.b3lyp_6-31g(d).inp

000051152.b3lyp_6-31g(d).qchem.inp (generated)

000051152.b3lyp_6-31g(d).gjf (generated)

000051152.b3lyp_6-31g(d).firefly.inp (generated)

000051152.b3lyp_6-31g(d).smash.inp (generated)

000051152.b3lyp_6-31g(d).nwchem.inp (generated) 000051152.b3lyp_6-31g(d).log.xz 000051152.td-b3lyp_6-31g+(d).inp 000051152.td-b3lyp_6-31g+(d).log.xz

000051152.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051152.td-b3lyp_6-31+g(d).gjf (generated)

000051152.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051152.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051152.mol 000051152.PUBCHEM 000051152.mol (via Jmol)
000051153.b3lyp_6-31g(d).inp

000051153.b3lyp_6-31g(d).qchem.inp (generated)

000051153.b3lyp_6-31g(d).gjf (generated)

000051153.b3lyp_6-31g(d).firefly.inp (generated)

000051153.b3lyp_6-31g(d).smash.inp (generated)

000051153.b3lyp_6-31g(d).nwchem.inp (generated) 000051153.b3lyp_6-31g(d).log.xz 000051153.td-b3lyp_6-31g+(d).inp 000051153.td-b3lyp_6-31g+(d).log.xz

000051153.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051153.td-b3lyp_6-31+g(d).gjf (generated)

000051153.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051153.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051153.mol 000051153.PUBCHEM 000051153.mol (via Jmol)
000051165.b3lyp_6-31g(d).inp

000051165.b3lyp_6-31g(d).qchem.inp (generated)

000051165.b3lyp_6-31g(d).gjf (generated)

000051165.b3lyp_6-31g(d).firefly.inp (generated)

000051165.b3lyp_6-31g(d).smash.inp (generated)

000051165.b3lyp_6-31g(d).nwchem.inp (generated) 000051165.b3lyp_6-31g(d).log.xz 000051165.td-b3lyp_6-31g+(d).inp 000051165.td-b3lyp_6-31g+(d).log.xz

000051165.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051165.td-b3lyp_6-31+g(d).gjf (generated)

000051165.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051165.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051165.mol 000051165.PUBCHEM 000051165.mol (via Jmol)
000051168.b3lyp_6-31g(d).inp

000051168.b3lyp_6-31g(d).qchem.inp (generated)

000051168.b3lyp_6-31g(d).gjf (generated)

000051168.b3lyp_6-31g(d).firefly.inp (generated)

000051168.b3lyp_6-31g(d).smash.inp (generated)

000051168.b3lyp_6-31g(d).nwchem.inp (generated) 000051168.b3lyp_6-31g(d).log.xz 000051168.td-b3lyp_6-31g+(d).inp 000051168.td-b3lyp_6-31g+(d).log.xz

000051168.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051168.td-b3lyp_6-31+g(d).gjf (generated)

000051168.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051168.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051168.mol 000051168.PUBCHEM 000051168.mol (via Jmol)
000051169.b3lyp_6-31g(d).inp

000051169.b3lyp_6-31g(d).qchem.inp (generated)

000051169.b3lyp_6-31g(d).gjf (generated)

000051169.b3lyp_6-31g(d).firefly.inp (generated)

000051169.b3lyp_6-31g(d).smash.inp (generated)

000051169.b3lyp_6-31g(d).nwchem.inp (generated) 000051169.b3lyp_6-31g(d).log.xz 000051169.td-b3lyp_6-31g+(d).inp 000051169.td-b3lyp_6-31g+(d).log.xz

000051169.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051169.td-b3lyp_6-31+g(d).gjf (generated)

000051169.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051169.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051169.mol 000051169.PUBCHEM 000051169.mol (via Jmol)
000051170.b3lyp_6-31g(d).inp

000051170.b3lyp_6-31g(d).qchem.inp (generated)

000051170.b3lyp_6-31g(d).gjf (generated)

000051170.b3lyp_6-31g(d).firefly.inp (generated)

000051170.b3lyp_6-31g(d).smash.inp (generated)

000051170.b3lyp_6-31g(d).nwchem.inp (generated) 000051170.b3lyp_6-31g(d).log.xz 000051170.td-b3lyp_6-31g+(d).inp 000051170.td-b3lyp_6-31g+(d).log.xz

000051170.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051170.td-b3lyp_6-31+g(d).gjf (generated)

000051170.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051170.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051170.mol 000051170.PUBCHEM 000051170.mol (via Jmol)
000051173.b3lyp_6-31g(d).inp

000051173.b3lyp_6-31g(d).qchem.inp (generated)

000051173.b3lyp_6-31g(d).gjf (generated)

000051173.b3lyp_6-31g(d).firefly.inp (generated)

000051173.b3lyp_6-31g(d).smash.inp (generated)

000051173.b3lyp_6-31g(d).nwchem.inp (generated) 000051173.b3lyp_6-31g(d).log.xz 000051173.td-b3lyp_6-31g+(d).inp 000051173.td-b3lyp_6-31g+(d).log.xz

000051173.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051173.td-b3lyp_6-31+g(d).gjf (generated)

000051173.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051173.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051173.mol 000051173.PUBCHEM 000051173.mol (via Jmol)
000051192.b3lyp_6-31g(d).inp

000051192.b3lyp_6-31g(d).qchem.inp (generated)

000051192.b3lyp_6-31g(d).gjf (generated)

000051192.b3lyp_6-31g(d).firefly.inp (generated)

000051192.b3lyp_6-31g(d).smash.inp (generated)

000051192.b3lyp_6-31g(d).nwchem.inp (generated) 000051192.b3lyp_6-31g(d).log.xz 000051192.td-b3lyp_6-31g+(d).inp 000051192.td-b3lyp_6-31g+(d).log.xz

000051192.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051192.td-b3lyp_6-31+g(d).gjf (generated)

000051192.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051192.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051192.mol 000051192.PUBCHEM 000051192.mol (via Jmol)
000051193.b3lyp_6-31g(d).inp

000051193.b3lyp_6-31g(d).qchem.inp (generated)

000051193.b3lyp_6-31g(d).gjf (generated)

000051193.b3lyp_6-31g(d).firefly.inp (generated)

000051193.b3lyp_6-31g(d).smash.inp (generated)

000051193.b3lyp_6-31g(d).nwchem.inp (generated) 000051193.b3lyp_6-31g(d).log.xz 000051193.td-b3lyp_6-31g+(d).inp 000051193.td-b3lyp_6-31g+(d).log.xz

000051193.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051193.td-b3lyp_6-31+g(d).gjf (generated)

000051193.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051193.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051193.mol 000051193.PUBCHEM 000051193.mol (via Jmol)
000051200.b3lyp_6-31g(d).inp

000051200.b3lyp_6-31g(d).qchem.inp (generated)

000051200.b3lyp_6-31g(d).gjf (generated)

000051200.b3lyp_6-31g(d).firefly.inp (generated)

000051200.b3lyp_6-31g(d).smash.inp (generated)

000051200.b3lyp_6-31g(d).nwchem.inp (generated) 000051200.b3lyp_6-31g(d).log.xz 000051200.td-b3lyp_6-31g+(d).inp 000051200.td-b3lyp_6-31g+(d).log.xz

000051200.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051200.td-b3lyp_6-31+g(d).gjf (generated)

000051200.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051200.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051200.mol 000051200.PUBCHEM 000051200.mol (via Jmol)
000051213.b3lyp_6-31g(d).inp

000051213.b3lyp_6-31g(d).qchem.inp (generated)

000051213.b3lyp_6-31g(d).gjf (generated)

000051213.b3lyp_6-31g(d).firefly.inp (generated)

000051213.b3lyp_6-31g(d).smash.inp (generated)

000051213.b3lyp_6-31g(d).nwchem.inp (generated) 000051213.b3lyp_6-31g(d).log.xz 000051213.td-b3lyp_6-31g+(d).inp 000051213.td-b3lyp_6-31g+(d).log.xz

000051213.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051213.td-b3lyp_6-31+g(d).gjf (generated)

000051213.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051213.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051213.mol 000051213.PUBCHEM 000051213.mol (via Jmol)
000051214.b3lyp_6-31g(d).inp

000051214.b3lyp_6-31g(d).qchem.inp (generated)

000051214.b3lyp_6-31g(d).gjf (generated)

000051214.b3lyp_6-31g(d).firefly.inp (generated)

000051214.b3lyp_6-31g(d).smash.inp (generated)

000051214.b3lyp_6-31g(d).nwchem.inp (generated) 000051214.b3lyp_6-31g(d).log.xz 000051214.td-b3lyp_6-31g+(d).inp 000051214.td-b3lyp_6-31g+(d).log.xz

000051214.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051214.td-b3lyp_6-31+g(d).gjf (generated)

000051214.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051214.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051214.mol 000051214.PUBCHEM 000051214.mol (via Jmol)
000051216.b3lyp_6-31g(d).inp

000051216.b3lyp_6-31g(d).qchem.inp (generated)

000051216.b3lyp_6-31g(d).gjf (generated)

000051216.b3lyp_6-31g(d).firefly.inp (generated)

000051216.b3lyp_6-31g(d).smash.inp (generated)

000051216.b3lyp_6-31g(d).nwchem.inp (generated) 000051216.b3lyp_6-31g(d).log.xz 000051216.td-b3lyp_6-31g+(d).inp 000051216.td-b3lyp_6-31g+(d).log.xz

000051216.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051216.td-b3lyp_6-31+g(d).gjf (generated)

000051216.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051216.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051216.mol 000051216.PUBCHEM 000051216.mol (via Jmol)
000051220.b3lyp_6-31g(d).inp

000051220.b3lyp_6-31g(d).qchem.inp (generated)

000051220.b3lyp_6-31g(d).gjf (generated)

000051220.b3lyp_6-31g(d).firefly.inp (generated)

000051220.b3lyp_6-31g(d).smash.inp (generated)

000051220.b3lyp_6-31g(d).nwchem.inp (generated) 000051220.b3lyp_6-31g(d).log.xz 000051220.td-b3lyp_6-31g+(d).inp 000051220.td-b3lyp_6-31g+(d).log.xz

000051220.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051220.td-b3lyp_6-31+g(d).gjf (generated)

000051220.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051220.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051220.mol 000051220.PUBCHEM 000051220.mol (via Jmol)
000051227.b3lyp_6-31g(d).inp

000051227.b3lyp_6-31g(d).qchem.inp (generated)

000051227.b3lyp_6-31g(d).gjf (generated)

000051227.b3lyp_6-31g(d).firefly.inp (generated)

000051227.b3lyp_6-31g(d).smash.inp (generated)

000051227.b3lyp_6-31g(d).nwchem.inp (generated) 000051227.b3lyp_6-31g(d).log.xz 000051227.td-b3lyp_6-31g+(d).inp 000051227.td-b3lyp_6-31g+(d).log.xz

000051227.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051227.td-b3lyp_6-31+g(d).gjf (generated)

000051227.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051227.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051227.mol 000051227.PUBCHEM 000051227.mol (via Jmol)
000051257.b3lyp_6-31g(d).inp

000051257.b3lyp_6-31g(d).qchem.inp (generated)

000051257.b3lyp_6-31g(d).gjf (generated)

000051257.b3lyp_6-31g(d).firefly.inp (generated)

000051257.b3lyp_6-31g(d).smash.inp (generated)

000051257.b3lyp_6-31g(d).nwchem.inp (generated) 000051257.b3lyp_6-31g(d).log.xz 000051257.td-b3lyp_6-31g+(d).inp 000051257.td-b3lyp_6-31g+(d).log.xz

000051257.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051257.td-b3lyp_6-31+g(d).gjf (generated)

000051257.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051257.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051257.mol 000051257.PUBCHEM 000051257.mol (via Jmol)
000051260.b3lyp_6-31g(d).inp

000051260.b3lyp_6-31g(d).qchem.inp (generated)

000051260.b3lyp_6-31g(d).gjf (generated)

000051260.b3lyp_6-31g(d).firefly.inp (generated)

000051260.b3lyp_6-31g(d).smash.inp (generated)

000051260.b3lyp_6-31g(d).nwchem.inp (generated) 000051260.b3lyp_6-31g(d).log.xz 000051260.td-b3lyp_6-31g+(d).inp 000051260.td-b3lyp_6-31g+(d).log.xz

000051260.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051260.td-b3lyp_6-31+g(d).gjf (generated)

000051260.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051260.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051260.mol 000051260.PUBCHEM 000051260.mol (via Jmol)
000051283.b3lyp_6-31g(d).inp

000051283.b3lyp_6-31g(d).qchem.inp (generated)

000051283.b3lyp_6-31g(d).gjf (generated)

000051283.b3lyp_6-31g(d).firefly.inp (generated)

000051283.b3lyp_6-31g(d).smash.inp (generated)

000051283.b3lyp_6-31g(d).nwchem.inp (generated) 000051283.b3lyp_6-31g(d).log.xz 000051283.td-b3lyp_6-31g+(d).inp 000051283.td-b3lyp_6-31g+(d).log.xz

000051283.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051283.td-b3lyp_6-31+g(d).gjf (generated)

000051283.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051283.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051283.mol 000051283.PUBCHEM 000051283.mol (via Jmol)
000051285.b3lyp_6-31g(d).inp

000051285.b3lyp_6-31g(d).qchem.inp (generated)

000051285.b3lyp_6-31g(d).gjf (generated)

000051285.b3lyp_6-31g(d).firefly.inp (generated)

000051285.b3lyp_6-31g(d).smash.inp (generated)

000051285.b3lyp_6-31g(d).nwchem.inp (generated) 000051285.b3lyp_6-31g(d).log.xz 000051285.td-b3lyp_6-31g+(d).inp 000051285.td-b3lyp_6-31g+(d).log.xz

000051285.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051285.td-b3lyp_6-31+g(d).gjf (generated)

000051285.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051285.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051285.mol 000051285.PUBCHEM 000051285.mol (via Jmol)
000051291.b3lyp_6-31g(d).inp

000051291.b3lyp_6-31g(d).qchem.inp (generated)

000051291.b3lyp_6-31g(d).gjf (generated)

000051291.b3lyp_6-31g(d).firefly.inp (generated)

000051291.b3lyp_6-31g(d).smash.inp (generated)

000051291.b3lyp_6-31g(d).nwchem.inp (generated) 000051291.b3lyp_6-31g(d).log.xz 000051291.td-b3lyp_6-31g+(d).inp 000051291.td-b3lyp_6-31g+(d).log.xz

000051291.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051291.td-b3lyp_6-31+g(d).gjf (generated)

000051291.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051291.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051291.mol 000051291.PUBCHEM 000051291.mol (via Jmol)
000051294.b3lyp_6-31g(d).inp

000051294.b3lyp_6-31g(d).qchem.inp (generated)

000051294.b3lyp_6-31g(d).gjf (generated)

000051294.b3lyp_6-31g(d).firefly.inp (generated)

000051294.b3lyp_6-31g(d).smash.inp (generated)

000051294.b3lyp_6-31g(d).nwchem.inp (generated) 000051294.b3lyp_6-31g(d).log.xz 000051294.td-b3lyp_6-31g+(d).inp 000051294.td-b3lyp_6-31g+(d).log.xz

000051294.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051294.td-b3lyp_6-31+g(d).gjf (generated)

000051294.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051294.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051294.mol 000051294.PUBCHEM 000051294.mol (via Jmol)
000051296.b3lyp_6-31g(d).inp

000051296.b3lyp_6-31g(d).qchem.inp (generated)

000051296.b3lyp_6-31g(d).gjf (generated)

000051296.b3lyp_6-31g(d).firefly.inp (generated)

000051296.b3lyp_6-31g(d).smash.inp (generated)

000051296.b3lyp_6-31g(d).nwchem.inp (generated) 000051296.b3lyp_6-31g(d).log.xz 000051296.td-b3lyp_6-31g+(d).inp 000051296.td-b3lyp_6-31g+(d).log.xz

000051296.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051296.td-b3lyp_6-31+g(d).gjf (generated)

000051296.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051296.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051296.mol 000051296.PUBCHEM 000051296.mol (via Jmol)
000051299.b3lyp_6-31g(d).inp

000051299.b3lyp_6-31g(d).qchem.inp (generated)

000051299.b3lyp_6-31g(d).gjf (generated)

000051299.b3lyp_6-31g(d).firefly.inp (generated)

000051299.b3lyp_6-31g(d).smash.inp (generated)

000051299.b3lyp_6-31g(d).nwchem.inp (generated) 000051299.b3lyp_6-31g(d).log.xz 000051299.td-b3lyp_6-31g+(d).inp 000051299.td-b3lyp_6-31g+(d).log.xz

000051299.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051299.td-b3lyp_6-31+g(d).gjf (generated)

000051299.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051299.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051299.mol 000051299.PUBCHEM 000051299.mol (via Jmol)
000051301.b3lyp_6-31g(d).inp

000051301.b3lyp_6-31g(d).qchem.inp (generated)

000051301.b3lyp_6-31g(d).gjf (generated)

000051301.b3lyp_6-31g(d).firefly.inp (generated)

000051301.b3lyp_6-31g(d).smash.inp (generated)

000051301.b3lyp_6-31g(d).nwchem.inp (generated) 000051301.b3lyp_6-31g(d).log.xz 000051301.td-b3lyp_6-31g+(d).inp 000051301.td-b3lyp_6-31g+(d).log.xz

000051301.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051301.td-b3lyp_6-31+g(d).gjf (generated)

000051301.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051301.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051301.mol 000051301.PUBCHEM 000051301.mol (via Jmol)
000051302.b3lyp_6-31g(d).inp

000051302.b3lyp_6-31g(d).qchem.inp (generated)

000051302.b3lyp_6-31g(d).gjf (generated)

000051302.b3lyp_6-31g(d).firefly.inp (generated)

000051302.b3lyp_6-31g(d).smash.inp (generated)

000051302.b3lyp_6-31g(d).nwchem.inp (generated) 000051302.b3lyp_6-31g(d).log.xz 000051302.td-b3lyp_6-31g+(d).inp 000051302.td-b3lyp_6-31g+(d).log.xz

000051302.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051302.td-b3lyp_6-31+g(d).gjf (generated)

000051302.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051302.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051302.mol 000051302.PUBCHEM 000051302.mol (via Jmol)
000051321.b3lyp_6-31g(d).inp

000051321.b3lyp_6-31g(d).qchem.inp (generated)

000051321.b3lyp_6-31g(d).gjf (generated)

000051321.b3lyp_6-31g(d).firefly.inp (generated)

000051321.b3lyp_6-31g(d).smash.inp (generated)

000051321.b3lyp_6-31g(d).nwchem.inp (generated) 000051321.b3lyp_6-31g(d).log.xz 000051321.td-b3lyp_6-31g+(d).inp 000051321.td-b3lyp_6-31g+(d).log.xz

000051321.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051321.td-b3lyp_6-31+g(d).gjf (generated)

000051321.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051321.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051321.mol 000051321.PUBCHEM 000051321.mol (via Jmol)
000051330.b3lyp_6-31g(d).inp

000051330.b3lyp_6-31g(d).qchem.inp (generated)

000051330.b3lyp_6-31g(d).gjf (generated)

000051330.b3lyp_6-31g(d).firefly.inp (generated)

000051330.b3lyp_6-31g(d).smash.inp (generated)

000051330.b3lyp_6-31g(d).nwchem.inp (generated) 000051330.b3lyp_6-31g(d).log.xz 000051330.td-b3lyp_6-31g+(d).inp 000051330.td-b3lyp_6-31g+(d).log.xz

000051330.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051330.td-b3lyp_6-31+g(d).gjf (generated)

000051330.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051330.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051330.mol 000051330.PUBCHEM 000051330.mol (via Jmol)
000051334.b3lyp_6-31g(d).inp

000051334.b3lyp_6-31g(d).qchem.inp (generated)

000051334.b3lyp_6-31g(d).gjf (generated)

000051334.b3lyp_6-31g(d).firefly.inp (generated)

000051334.b3lyp_6-31g(d).smash.inp (generated)

000051334.b3lyp_6-31g(d).nwchem.inp (generated) 000051334.b3lyp_6-31g(d).log.xz 000051334.td-b3lyp_6-31g+(d).inp 000051334.td-b3lyp_6-31g+(d).log.xz

000051334.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051334.td-b3lyp_6-31+g(d).gjf (generated)

000051334.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051334.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051334.mol 000051334.PUBCHEM 000051334.mol (via Jmol)
000051353.b3lyp_6-31g(d).inp

000051353.b3lyp_6-31g(d).qchem.inp (generated)

000051353.b3lyp_6-31g(d).gjf (generated)

000051353.b3lyp_6-31g(d).firefly.inp (generated)

000051353.b3lyp_6-31g(d).smash.inp (generated)

000051353.b3lyp_6-31g(d).nwchem.inp (generated) 000051353.b3lyp_6-31g(d).log.xz 000051353.td-b3lyp_6-31g+(d).inp 000051353.td-b3lyp_6-31g+(d).log.xz

000051353.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051353.td-b3lyp_6-31+g(d).gjf (generated)

000051353.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051353.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051353.mol 000051353.PUBCHEM 000051353.mol (via Jmol)
000051356.b3lyp_6-31g(d).inp

000051356.b3lyp_6-31g(d).qchem.inp (generated)

000051356.b3lyp_6-31g(d).gjf (generated)

000051356.b3lyp_6-31g(d).firefly.inp (generated)

000051356.b3lyp_6-31g(d).smash.inp (generated)

000051356.b3lyp_6-31g(d).nwchem.inp (generated) 000051356.b3lyp_6-31g(d).log.xz 000051356.td-b3lyp_6-31g+(d).inp 000051356.td-b3lyp_6-31g+(d).log.xz

000051356.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051356.td-b3lyp_6-31+g(d).gjf (generated)

000051356.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051356.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051356.mol 000051356.PUBCHEM 000051356.mol (via Jmol)
000051357.b3lyp_6-31g(d).inp

000051357.b3lyp_6-31g(d).qchem.inp (generated)

000051357.b3lyp_6-31g(d).gjf (generated)

000051357.b3lyp_6-31g(d).firefly.inp (generated)

000051357.b3lyp_6-31g(d).smash.inp (generated)

000051357.b3lyp_6-31g(d).nwchem.inp (generated) 000051357.b3lyp_6-31g(d).log.xz 000051357.td-b3lyp_6-31g+(d).inp 000051357.td-b3lyp_6-31g+(d).log.xz

000051357.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051357.td-b3lyp_6-31+g(d).gjf (generated)

000051357.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051357.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051357.mol 000051357.PUBCHEM 000051357.mol (via Jmol)
000051358.b3lyp_6-31g(d).inp

000051358.b3lyp_6-31g(d).qchem.inp (generated)

000051358.b3lyp_6-31g(d).gjf (generated)

000051358.b3lyp_6-31g(d).firefly.inp (generated)

000051358.b3lyp_6-31g(d).smash.inp (generated)

000051358.b3lyp_6-31g(d).nwchem.inp (generated) 000051358.b3lyp_6-31g(d).log.xz 000051358.td-b3lyp_6-31g+(d).inp 000051358.td-b3lyp_6-31g+(d).log.xz

000051358.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051358.td-b3lyp_6-31+g(d).gjf (generated)

000051358.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051358.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051358.mol 000051358.PUBCHEM 000051358.mol (via Jmol)
000051361.b3lyp_6-31g(d).inp

000051361.b3lyp_6-31g(d).qchem.inp (generated)

000051361.b3lyp_6-31g(d).gjf (generated)

000051361.b3lyp_6-31g(d).firefly.inp (generated)

000051361.b3lyp_6-31g(d).smash.inp (generated)

000051361.b3lyp_6-31g(d).nwchem.inp (generated) 000051361.b3lyp_6-31g(d).log.xz 000051361.td-b3lyp_6-31g+(d).inp 000051361.td-b3lyp_6-31g+(d).log.xz

000051361.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051361.td-b3lyp_6-31+g(d).gjf (generated)

000051361.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051361.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051361.mol 000051361.PUBCHEM 000051361.mol (via Jmol)
000051363.b3lyp_6-31g(d).inp

000051363.b3lyp_6-31g(d).qchem.inp (generated)

000051363.b3lyp_6-31g(d).gjf (generated)

000051363.b3lyp_6-31g(d).firefly.inp (generated)

000051363.b3lyp_6-31g(d).smash.inp (generated)

000051363.b3lyp_6-31g(d).nwchem.inp (generated) 000051363.b3lyp_6-31g(d).log.xz 000051363.td-b3lyp_6-31g+(d).inp 000051363.td-b3lyp_6-31g+(d).log.xz

000051363.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051363.td-b3lyp_6-31+g(d).gjf (generated)

000051363.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051363.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051363.mol 000051363.PUBCHEM 000051363.mol (via Jmol)
000051365.b3lyp_6-31g(d).inp

000051365.b3lyp_6-31g(d).qchem.inp (generated)

000051365.b3lyp_6-31g(d).gjf (generated)

000051365.b3lyp_6-31g(d).firefly.inp (generated)

000051365.b3lyp_6-31g(d).smash.inp (generated)

000051365.b3lyp_6-31g(d).nwchem.inp (generated) 000051365.b3lyp_6-31g(d).log.xz 000051365.td-b3lyp_6-31g+(d).inp 000051365.td-b3lyp_6-31g+(d).log.xz

000051365.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051365.td-b3lyp_6-31+g(d).gjf (generated)

000051365.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051365.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051365.mol 000051365.PUBCHEM 000051365.mol (via Jmol)
000051371.b3lyp_6-31g(d).inp

000051371.b3lyp_6-31g(d).qchem.inp (generated)

000051371.b3lyp_6-31g(d).gjf (generated)

000051371.b3lyp_6-31g(d).firefly.inp (generated)

000051371.b3lyp_6-31g(d).smash.inp (generated)

000051371.b3lyp_6-31g(d).nwchem.inp (generated) 000051371.b3lyp_6-31g(d).log.xz 000051371.td-b3lyp_6-31g+(d).inp 000051371.td-b3lyp_6-31g+(d).log.xz

000051371.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051371.td-b3lyp_6-31+g(d).gjf (generated)

000051371.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051371.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051371.mol 000051371.PUBCHEM 000051371.mol (via Jmol)
000051381.b3lyp_6-31g(d).inp

000051381.b3lyp_6-31g(d).qchem.inp (generated)

000051381.b3lyp_6-31g(d).gjf (generated)

000051381.b3lyp_6-31g(d).firefly.inp (generated)

000051381.b3lyp_6-31g(d).smash.inp (generated)

000051381.b3lyp_6-31g(d).nwchem.inp (generated) 000051381.b3lyp_6-31g(d).log.xz 000051381.td-b3lyp_6-31g+(d).inp 000051381.td-b3lyp_6-31g+(d).log.xz

000051381.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051381.td-b3lyp_6-31+g(d).gjf (generated)

000051381.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051381.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051381.mol 000051381.PUBCHEM 000051381.mol (via Jmol)
000051395.b3lyp_6-31g(d).inp

000051395.b3lyp_6-31g(d).qchem.inp (generated)

000051395.b3lyp_6-31g(d).gjf (generated)

000051395.b3lyp_6-31g(d).firefly.inp (generated)

000051395.b3lyp_6-31g(d).smash.inp (generated)

000051395.b3lyp_6-31g(d).nwchem.inp (generated) 000051395.b3lyp_6-31g(d).log.xz 000051395.td-b3lyp_6-31g+(d).inp 000051395.td-b3lyp_6-31g+(d).log.xz

000051395.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051395.td-b3lyp_6-31+g(d).gjf (generated)

000051395.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051395.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051395.mol 000051395.PUBCHEM 000051395.mol (via Jmol)
000051432.b3lyp_6-31g(d).inp

000051432.b3lyp_6-31g(d).qchem.inp (generated)

000051432.b3lyp_6-31g(d).gjf (generated)

000051432.b3lyp_6-31g(d).firefly.inp (generated)

000051432.b3lyp_6-31g(d).smash.inp (generated)

000051432.b3lyp_6-31g(d).nwchem.inp (generated) 000051432.b3lyp_6-31g(d).log.xz 000051432.td-b3lyp_6-31g+(d).inp 000051432.td-b3lyp_6-31g+(d).log.xz

000051432.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051432.td-b3lyp_6-31+g(d).gjf (generated)

000051432.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051432.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051432.mol 000051432.PUBCHEM 000051432.mol (via Jmol)
000051433.b3lyp_6-31g(d).inp

000051433.b3lyp_6-31g(d).qchem.inp (generated)

000051433.b3lyp_6-31g(d).gjf (generated)

000051433.b3lyp_6-31g(d).firefly.inp (generated)

000051433.b3lyp_6-31g(d).smash.inp (generated)

000051433.b3lyp_6-31g(d).nwchem.inp (generated) 000051433.b3lyp_6-31g(d).log.xz 000051433.td-b3lyp_6-31g+(d).inp 000051433.td-b3lyp_6-31g+(d).log.xz

000051433.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051433.td-b3lyp_6-31+g(d).gjf (generated)

000051433.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051433.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051433.mol 000051433.PUBCHEM 000051433.mol (via Jmol)
000051434.b3lyp_6-31g(d).inp

000051434.b3lyp_6-31g(d).qchem.inp (generated)

000051434.b3lyp_6-31g(d).gjf (generated)

000051434.b3lyp_6-31g(d).firefly.inp (generated)

000051434.b3lyp_6-31g(d).smash.inp (generated)

000051434.b3lyp_6-31g(d).nwchem.inp (generated) 000051434.b3lyp_6-31g(d).log.xz 000051434.td-b3lyp_6-31g+(d).inp 000051434.td-b3lyp_6-31g+(d).log.xz

000051434.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051434.td-b3lyp_6-31+g(d).gjf (generated)

000051434.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051434.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051434.mol 000051434.PUBCHEM 000051434.mol (via Jmol)
000051459.b3lyp_6-31g(d).inp

000051459.b3lyp_6-31g(d).qchem.inp (generated)

000051459.b3lyp_6-31g(d).gjf (generated)

000051459.b3lyp_6-31g(d).firefly.inp (generated)

000051459.b3lyp_6-31g(d).smash.inp (generated)

000051459.b3lyp_6-31g(d).nwchem.inp (generated) 000051459.b3lyp_6-31g(d).log.xz 000051459.td-b3lyp_6-31g+(d).inp 000051459.td-b3lyp_6-31g+(d).log.xz

000051459.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051459.td-b3lyp_6-31+g(d).gjf (generated)

000051459.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051459.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051459.mol 000051459.PUBCHEM 000051459.mol (via Jmol)
000051460.b3lyp_6-31g(d).inp

000051460.b3lyp_6-31g(d).qchem.inp (generated)

000051460.b3lyp_6-31g(d).gjf (generated)

000051460.b3lyp_6-31g(d).firefly.inp (generated)

000051460.b3lyp_6-31g(d).smash.inp (generated)

000051460.b3lyp_6-31g(d).nwchem.inp (generated) 000051460.b3lyp_6-31g(d).log.xz 000051460.td-b3lyp_6-31g+(d).inp 000051460.td-b3lyp_6-31g+(d).log.xz

000051460.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051460.td-b3lyp_6-31+g(d).gjf (generated)

000051460.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051460.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051460.mol 000051460.PUBCHEM 000051460.mol (via Jmol)
000051467.b3lyp_6-31g(d).inp

000051467.b3lyp_6-31g(d).qchem.inp (generated)

000051467.b3lyp_6-31g(d).gjf (generated)

000051467.b3lyp_6-31g(d).firefly.inp (generated)

000051467.b3lyp_6-31g(d).smash.inp (generated)

000051467.b3lyp_6-31g(d).nwchem.inp (generated) 000051467.b3lyp_6-31g(d).log.xz 000051467.td-b3lyp_6-31g+(d).inp 000051467.td-b3lyp_6-31g+(d).log.xz

000051467.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051467.td-b3lyp_6-31+g(d).gjf (generated)

000051467.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051467.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051467.mol 000051467.PUBCHEM 000051467.mol (via Jmol)
000051507.b3lyp_6-31g(d).inp

000051507.b3lyp_6-31g(d).qchem.inp (generated)

000051507.b3lyp_6-31g(d).gjf (generated)

000051507.b3lyp_6-31g(d).firefly.inp (generated)

000051507.b3lyp_6-31g(d).smash.inp (generated)

000051507.b3lyp_6-31g(d).nwchem.inp (generated) 000051507.b3lyp_6-31g(d).log.xz 000051507.td-b3lyp_6-31g+(d).inp 000051507.td-b3lyp_6-31g+(d).log.xz

000051507.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051507.td-b3lyp_6-31+g(d).gjf (generated)

000051507.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051507.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051507.mol 000051507.PUBCHEM 000051507.mol (via Jmol)
000051520.b3lyp_6-31g(d).inp

000051520.b3lyp_6-31g(d).qchem.inp (generated)

000051520.b3lyp_6-31g(d).gjf (generated)

000051520.b3lyp_6-31g(d).firefly.inp (generated)

000051520.b3lyp_6-31g(d).smash.inp (generated)

000051520.b3lyp_6-31g(d).nwchem.inp (generated) 000051520.b3lyp_6-31g(d).log.xz 000051520.td-b3lyp_6-31g+(d).inp 000051520.td-b3lyp_6-31g+(d).log.xz

000051520.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051520.td-b3lyp_6-31+g(d).gjf (generated)

000051520.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051520.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051520.mol 000051520.PUBCHEM 000051520.mol (via Jmol)
000051557.b3lyp_6-31g(d).inp

000051557.b3lyp_6-31g(d).qchem.inp (generated)

000051557.b3lyp_6-31g(d).gjf (generated)

000051557.b3lyp_6-31g(d).firefly.inp (generated)

000051557.b3lyp_6-31g(d).smash.inp (generated)

000051557.b3lyp_6-31g(d).nwchem.inp (generated) 000051557.b3lyp_6-31g(d).log.xz 000051557.td-b3lyp_6-31g+(d).inp 000051557.td-b3lyp_6-31g+(d).log.xz

000051557.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051557.td-b3lyp_6-31+g(d).gjf (generated)

000051557.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051557.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051557.mol 000051557.PUBCHEM 000051557.mol (via Jmol)
000051569.b3lyp_6-31g(d).inp

000051569.b3lyp_6-31g(d).qchem.inp (generated)

000051569.b3lyp_6-31g(d).gjf (generated)

000051569.b3lyp_6-31g(d).firefly.inp (generated)

000051569.b3lyp_6-31g(d).smash.inp (generated)

000051569.b3lyp_6-31g(d).nwchem.inp (generated) 000051569.b3lyp_6-31g(d).log.xz 000051569.td-b3lyp_6-31g+(d).inp 000051569.td-b3lyp_6-31g+(d).log.xz

000051569.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051569.td-b3lyp_6-31+g(d).gjf (generated)

000051569.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051569.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051569.mol 000051569.PUBCHEM 000051569.mol (via Jmol)
000051575.b3lyp_6-31g(d).inp

000051575.b3lyp_6-31g(d).qchem.inp (generated)

000051575.b3lyp_6-31g(d).gjf (generated)

000051575.b3lyp_6-31g(d).firefly.inp (generated)

000051575.b3lyp_6-31g(d).smash.inp (generated)

000051575.b3lyp_6-31g(d).nwchem.inp (generated) 000051575.b3lyp_6-31g(d).log.xz 000051575.td-b3lyp_6-31g+(d).inp 000051575.td-b3lyp_6-31g+(d).log.xz

000051575.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051575.td-b3lyp_6-31+g(d).gjf (generated)

000051575.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051575.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051575.mol 000051575.PUBCHEM 000051575.mol (via Jmol)
000051576.b3lyp_6-31g(d).inp

000051576.b3lyp_6-31g(d).qchem.inp (generated)

000051576.b3lyp_6-31g(d).gjf (generated)

000051576.b3lyp_6-31g(d).firefly.inp (generated)

000051576.b3lyp_6-31g(d).smash.inp (generated)

000051576.b3lyp_6-31g(d).nwchem.inp (generated) 000051576.b3lyp_6-31g(d).log.xz 000051576.td-b3lyp_6-31g+(d).inp 000051576.td-b3lyp_6-31g+(d).log.xz

000051576.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051576.td-b3lyp_6-31+g(d).gjf (generated)

000051576.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051576.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051576.mol 000051576.PUBCHEM 000051576.mol (via Jmol)
000051577.b3lyp_6-31g(d).inp

000051577.b3lyp_6-31g(d).qchem.inp (generated)

000051577.b3lyp_6-31g(d).gjf (generated)

000051577.b3lyp_6-31g(d).firefly.inp (generated)

000051577.b3lyp_6-31g(d).smash.inp (generated)

000051577.b3lyp_6-31g(d).nwchem.inp (generated) 000051577.b3lyp_6-31g(d).log.xz 000051577.td-b3lyp_6-31g+(d).inp 000051577.td-b3lyp_6-31g+(d).log.xz

000051577.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051577.td-b3lyp_6-31+g(d).gjf (generated)

000051577.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051577.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051577.mol 000051577.PUBCHEM 000051577.mol (via Jmol)
000051585.b3lyp_6-31g(d).inp

000051585.b3lyp_6-31g(d).qchem.inp (generated)

000051585.b3lyp_6-31g(d).gjf (generated)

000051585.b3lyp_6-31g(d).firefly.inp (generated)

000051585.b3lyp_6-31g(d).smash.inp (generated)

000051585.b3lyp_6-31g(d).nwchem.inp (generated) 000051585.b3lyp_6-31g(d).log.xz 000051585.td-b3lyp_6-31g+(d).inp 000051585.td-b3lyp_6-31g+(d).log.xz

000051585.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051585.td-b3lyp_6-31+g(d).gjf (generated)

000051585.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051585.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051585.mol 000051585.PUBCHEM 000051585.mol (via Jmol)
000051586.b3lyp_6-31g(d).inp

000051586.b3lyp_6-31g(d).qchem.inp (generated)

000051586.b3lyp_6-31g(d).gjf (generated)

000051586.b3lyp_6-31g(d).firefly.inp (generated)

000051586.b3lyp_6-31g(d).smash.inp (generated)

000051586.b3lyp_6-31g(d).nwchem.inp (generated) 000051586.b3lyp_6-31g(d).log.xz 000051586.td-b3lyp_6-31g+(d).inp 000051586.td-b3lyp_6-31g+(d).log.xz

000051586.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051586.td-b3lyp_6-31+g(d).gjf (generated)

000051586.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051586.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051586.mol 000051586.PUBCHEM 000051586.mol (via Jmol)
000051588.b3lyp_6-31g(d).inp

000051588.b3lyp_6-31g(d).qchem.inp (generated)

000051588.b3lyp_6-31g(d).gjf (generated)

000051588.b3lyp_6-31g(d).firefly.inp (generated)

000051588.b3lyp_6-31g(d).smash.inp (generated)

000051588.b3lyp_6-31g(d).nwchem.inp (generated) 000051588.b3lyp_6-31g(d).log.xz 000051588.td-b3lyp_6-31g+(d).inp 000051588.td-b3lyp_6-31g+(d).log.xz

000051588.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051588.td-b3lyp_6-31+g(d).gjf (generated)

000051588.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051588.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051588.mol 000051588.PUBCHEM 000051588.mol (via Jmol)
000051609.b3lyp_6-31g(d).inp

000051609.b3lyp_6-31g(d).qchem.inp (generated)

000051609.b3lyp_6-31g(d).gjf (generated)

000051609.b3lyp_6-31g(d).firefly.inp (generated)

000051609.b3lyp_6-31g(d).smash.inp (generated)

000051609.b3lyp_6-31g(d).nwchem.inp (generated) 000051609.b3lyp_6-31g(d).log.xz 000051609.td-b3lyp_6-31g+(d).inp 000051609.td-b3lyp_6-31g+(d).log.xz

000051609.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051609.td-b3lyp_6-31+g(d).gjf (generated)

000051609.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051609.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051609.mol 000051609.PUBCHEM 000051609.mol (via Jmol)
000051618.b3lyp_6-31g(d).inp

000051618.b3lyp_6-31g(d).qchem.inp (generated)

000051618.b3lyp_6-31g(d).gjf (generated)

000051618.b3lyp_6-31g(d).firefly.inp (generated)

000051618.b3lyp_6-31g(d).smash.inp (generated)

000051618.b3lyp_6-31g(d).nwchem.inp (generated) 000051618.b3lyp_6-31g(d).log.xz 000051618.td-b3lyp_6-31g+(d).inp 000051618.td-b3lyp_6-31g+(d).log.xz

000051618.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051618.td-b3lyp_6-31+g(d).gjf (generated)

000051618.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051618.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051618.mol 000051618.PUBCHEM 000051618.mol (via Jmol)
000051621.b3lyp_6-31g(d).inp

000051621.b3lyp_6-31g(d).qchem.inp (generated)

000051621.b3lyp_6-31g(d).gjf (generated)

000051621.b3lyp_6-31g(d).firefly.inp (generated)

000051621.b3lyp_6-31g(d).smash.inp (generated)

000051621.b3lyp_6-31g(d).nwchem.inp (generated) 000051621.b3lyp_6-31g(d).log.xz 000051621.td-b3lyp_6-31g+(d).inp 000051621.td-b3lyp_6-31g+(d).log.xz

000051621.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051621.td-b3lyp_6-31+g(d).gjf (generated)

000051621.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051621.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051621.mol 000051621.PUBCHEM 000051621.mol (via Jmol)
000051626.b3lyp_6-31g(d).inp

000051626.b3lyp_6-31g(d).qchem.inp (generated)

000051626.b3lyp_6-31g(d).gjf (generated)

000051626.b3lyp_6-31g(d).firefly.inp (generated)

000051626.b3lyp_6-31g(d).smash.inp (generated)

000051626.b3lyp_6-31g(d).nwchem.inp (generated) 000051626.b3lyp_6-31g(d).log.xz 000051626.td-b3lyp_6-31g+(d).inp 000051626.td-b3lyp_6-31g+(d).log.xz

000051626.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051626.td-b3lyp_6-31+g(d).gjf (generated)

000051626.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051626.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051626.mol 000051626.PUBCHEM 000051626.mol (via Jmol)
000051634.b3lyp_6-31g(d).inp

000051634.b3lyp_6-31g(d).qchem.inp (generated)

000051634.b3lyp_6-31g(d).gjf (generated)

000051634.b3lyp_6-31g(d).firefly.inp (generated)

000051634.b3lyp_6-31g(d).smash.inp (generated)

000051634.b3lyp_6-31g(d).nwchem.inp (generated) 000051634.b3lyp_6-31g(d).log.xz 000051634.td-b3lyp_6-31g+(d).inp 000051634.td-b3lyp_6-31g+(d).log.xz

000051634.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051634.td-b3lyp_6-31+g(d).gjf (generated)

000051634.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051634.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051634.mol 000051634.PUBCHEM 000051634.mol (via Jmol)
000051636.b3lyp_6-31g(d).inp

000051636.b3lyp_6-31g(d).qchem.inp (generated)

000051636.b3lyp_6-31g(d).gjf (generated)

000051636.b3lyp_6-31g(d).firefly.inp (generated)

000051636.b3lyp_6-31g(d).smash.inp (generated)

000051636.b3lyp_6-31g(d).nwchem.inp (generated) 000051636.b3lyp_6-31g(d).log.xz 000051636.td-b3lyp_6-31g+(d).inp 000051636.td-b3lyp_6-31g+(d).log.xz

000051636.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051636.td-b3lyp_6-31+g(d).gjf (generated)

000051636.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051636.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051636.mol 000051636.PUBCHEM 000051636.mol (via Jmol)
000051668.b3lyp_6-31g(d).inp

000051668.b3lyp_6-31g(d).qchem.inp (generated)

000051668.b3lyp_6-31g(d).gjf (generated)

000051668.b3lyp_6-31g(d).firefly.inp (generated)

000051668.b3lyp_6-31g(d).smash.inp (generated)

000051668.b3lyp_6-31g(d).nwchem.inp (generated) 000051668.b3lyp_6-31g(d).log.xz 000051668.td-b3lyp_6-31g+(d).inp 000051668.td-b3lyp_6-31g+(d).log.xz

000051668.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051668.td-b3lyp_6-31+g(d).gjf (generated)

000051668.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051668.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051668.mol 000051668.PUBCHEM 000051668.mol (via Jmol)
000051678.b3lyp_6-31g(d).inp

000051678.b3lyp_6-31g(d).qchem.inp (generated)

000051678.b3lyp_6-31g(d).gjf (generated)

000051678.b3lyp_6-31g(d).firefly.inp (generated)

000051678.b3lyp_6-31g(d).smash.inp (generated)

000051678.b3lyp_6-31g(d).nwchem.inp (generated) 000051678.b3lyp_6-31g(d).log.xz 000051678.td-b3lyp_6-31g+(d).inp 000051678.td-b3lyp_6-31g+(d).log.xz

000051678.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051678.td-b3lyp_6-31+g(d).gjf (generated)

000051678.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051678.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051678.mol 000051678.PUBCHEM 000051678.mol (via Jmol)
000051679.b3lyp_6-31g(d).inp

000051679.b3lyp_6-31g(d).qchem.inp (generated)

000051679.b3lyp_6-31g(d).gjf (generated)

000051679.b3lyp_6-31g(d).firefly.inp (generated)

000051679.b3lyp_6-31g(d).smash.inp (generated)

000051679.b3lyp_6-31g(d).nwchem.inp (generated) 000051679.b3lyp_6-31g(d).log.xz 000051679.td-b3lyp_6-31g+(d).inp 000051679.td-b3lyp_6-31g+(d).log.xz

000051679.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051679.td-b3lyp_6-31+g(d).gjf (generated)

000051679.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051679.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051679.mol 000051679.PUBCHEM 000051679.mol (via Jmol)
000051683.b3lyp_6-31g(d).inp

000051683.b3lyp_6-31g(d).qchem.inp (generated)

000051683.b3lyp_6-31g(d).gjf (generated)

000051683.b3lyp_6-31g(d).firefly.inp (generated)

000051683.b3lyp_6-31g(d).smash.inp (generated)

000051683.b3lyp_6-31g(d).nwchem.inp (generated) 000051683.b3lyp_6-31g(d).log.xz 000051683.td-b3lyp_6-31g+(d).inp 000051683.td-b3lyp_6-31g+(d).log.xz

000051683.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051683.td-b3lyp_6-31+g(d).gjf (generated)

000051683.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051683.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051683.mol 000051683.PUBCHEM 000051683.mol (via Jmol)
000051703.b3lyp_6-31g(d).inp

000051703.b3lyp_6-31g(d).qchem.inp (generated)

000051703.b3lyp_6-31g(d).gjf (generated)

000051703.b3lyp_6-31g(d).firefly.inp (generated)

000051703.b3lyp_6-31g(d).smash.inp (generated)

000051703.b3lyp_6-31g(d).nwchem.inp (generated) 000051703.b3lyp_6-31g(d).log.xz 000051703.td-b3lyp_6-31g+(d).inp 000051703.td-b3lyp_6-31g+(d).log.xz

000051703.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051703.td-b3lyp_6-31+g(d).gjf (generated)

000051703.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051703.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051703.mol 000051703.PUBCHEM 000051703.mol (via Jmol)
000051714.b3lyp_6-31g(d).inp

000051714.b3lyp_6-31g(d).qchem.inp (generated)

000051714.b3lyp_6-31g(d).gjf (generated)

000051714.b3lyp_6-31g(d).firefly.inp (generated)

000051714.b3lyp_6-31g(d).smash.inp (generated)

000051714.b3lyp_6-31g(d).nwchem.inp (generated) 000051714.b3lyp_6-31g(d).log.xz 000051714.td-b3lyp_6-31g+(d).inp 000051714.td-b3lyp_6-31g+(d).log.xz

000051714.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051714.td-b3lyp_6-31+g(d).gjf (generated)

000051714.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051714.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051714.mol 000051714.PUBCHEM 000051714.mol (via Jmol)
000051726.b3lyp_6-31g(d).inp

000051726.b3lyp_6-31g(d).qchem.inp (generated)

000051726.b3lyp_6-31g(d).gjf (generated)

000051726.b3lyp_6-31g(d).firefly.inp (generated)

000051726.b3lyp_6-31g(d).smash.inp (generated)

000051726.b3lyp_6-31g(d).nwchem.inp (generated) 000051726.b3lyp_6-31g(d).log.xz 000051726.td-b3lyp_6-31g+(d).inp 000051726.td-b3lyp_6-31g+(d).log.xz

000051726.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051726.td-b3lyp_6-31+g(d).gjf (generated)

000051726.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051726.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051726.mol 000051726.PUBCHEM 000051726.mol (via Jmol)
000051739.b3lyp_6-31g(d).inp

000051739.b3lyp_6-31g(d).qchem.inp (generated)

000051739.b3lyp_6-31g(d).gjf (generated)

000051739.b3lyp_6-31g(d).firefly.inp (generated)

000051739.b3lyp_6-31g(d).smash.inp (generated)

000051739.b3lyp_6-31g(d).nwchem.inp (generated) 000051739.b3lyp_6-31g(d).log.xz 000051739.td-b3lyp_6-31g+(d).inp 000051739.td-b3lyp_6-31g+(d).log.xz

000051739.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051739.td-b3lyp_6-31+g(d).gjf (generated)

000051739.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051739.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051739.mol 000051739.PUBCHEM 000051739.mol (via Jmol)
000051758.b3lyp_6-31g(d).inp

000051758.b3lyp_6-31g(d).qchem.inp (generated)

000051758.b3lyp_6-31g(d).gjf (generated)

000051758.b3lyp_6-31g(d).firefly.inp (generated)

000051758.b3lyp_6-31g(d).smash.inp (generated)

000051758.b3lyp_6-31g(d).nwchem.inp (generated) 000051758.b3lyp_6-31g(d).log.xz 000051758.td-b3lyp_6-31g+(d).inp 000051758.td-b3lyp_6-31g+(d).log.xz

000051758.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051758.td-b3lyp_6-31+g(d).gjf (generated)

000051758.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051758.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051758.mol 000051758.PUBCHEM 000051758.mol (via Jmol)
000051760.b3lyp_6-31g(d).inp

000051760.b3lyp_6-31g(d).qchem.inp (generated)

000051760.b3lyp_6-31g(d).gjf (generated)

000051760.b3lyp_6-31g(d).firefly.inp (generated)

000051760.b3lyp_6-31g(d).smash.inp (generated)

000051760.b3lyp_6-31g(d).nwchem.inp (generated) 000051760.b3lyp_6-31g(d).log.xz 000051760.td-b3lyp_6-31g+(d).inp 000051760.td-b3lyp_6-31g+(d).log.xz

000051760.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051760.td-b3lyp_6-31+g(d).gjf (generated)

000051760.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051760.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051760.mol 000051760.PUBCHEM 000051760.mol (via Jmol)
000051772.b3lyp_6-31g(d).inp

000051772.b3lyp_6-31g(d).qchem.inp (generated)

000051772.b3lyp_6-31g(d).gjf (generated)

000051772.b3lyp_6-31g(d).firefly.inp (generated)

000051772.b3lyp_6-31g(d).smash.inp (generated)

000051772.b3lyp_6-31g(d).nwchem.inp (generated) 000051772.b3lyp_6-31g(d).log.xz 000051772.td-b3lyp_6-31g+(d).inp 000051772.td-b3lyp_6-31g+(d).log.xz

000051772.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051772.td-b3lyp_6-31+g(d).gjf (generated)

000051772.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051772.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051772.mol 000051772.PUBCHEM 000051772.mol (via Jmol)
000051774.b3lyp_6-31g(d).inp

000051774.b3lyp_6-31g(d).qchem.inp (generated)

000051774.b3lyp_6-31g(d).gjf (generated)

000051774.b3lyp_6-31g(d).firefly.inp (generated)

000051774.b3lyp_6-31g(d).smash.inp (generated)

000051774.b3lyp_6-31g(d).nwchem.inp (generated) 000051774.b3lyp_6-31g(d).log.xz 000051774.td-b3lyp_6-31g+(d).inp 000051774.td-b3lyp_6-31g+(d).log.xz

000051774.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051774.td-b3lyp_6-31+g(d).gjf (generated)

000051774.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051774.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051774.mol 000051774.PUBCHEM 000051774.mol (via Jmol)
000051804.b3lyp_6-31g(d).inp

000051804.b3lyp_6-31g(d).qchem.inp (generated)

000051804.b3lyp_6-31g(d).gjf (generated)

000051804.b3lyp_6-31g(d).firefly.inp (generated)

000051804.b3lyp_6-31g(d).smash.inp (generated)

000051804.b3lyp_6-31g(d).nwchem.inp (generated) 000051804.b3lyp_6-31g(d).log.xz 000051804.td-b3lyp_6-31g+(d).inp 000051804.td-b3lyp_6-31g+(d).log.xz

000051804.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051804.td-b3lyp_6-31+g(d).gjf (generated)

000051804.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051804.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051804.mol 000051804.PUBCHEM 000051804.mol (via Jmol)
000051806.b3lyp_6-31g(d).inp

000051806.b3lyp_6-31g(d).qchem.inp (generated)

000051806.b3lyp_6-31g(d).gjf (generated)

000051806.b3lyp_6-31g(d).firefly.inp (generated)

000051806.b3lyp_6-31g(d).smash.inp (generated)

000051806.b3lyp_6-31g(d).nwchem.inp (generated) 000051806.b3lyp_6-31g(d).log.xz 000051806.td-b3lyp_6-31g+(d).inp 000051806.td-b3lyp_6-31g+(d).log.xz

000051806.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051806.td-b3lyp_6-31+g(d).gjf (generated)

000051806.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051806.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051806.mol 000051806.PUBCHEM 000051806.mol (via Jmol)
000051815.b3lyp_6-31g(d).inp

000051815.b3lyp_6-31g(d).qchem.inp (generated)

000051815.b3lyp_6-31g(d).gjf (generated)

000051815.b3lyp_6-31g(d).firefly.inp (generated)

000051815.b3lyp_6-31g(d).smash.inp (generated)

000051815.b3lyp_6-31g(d).nwchem.inp (generated) 000051815.b3lyp_6-31g(d).log.xz 000051815.td-b3lyp_6-31g+(d).inp 000051815.td-b3lyp_6-31g+(d).log.xz

000051815.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051815.td-b3lyp_6-31+g(d).gjf (generated)

000051815.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051815.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051815.mol 000051815.PUBCHEM 000051815.mol (via Jmol)
000051816.b3lyp_6-31g(d).inp

000051816.b3lyp_6-31g(d).qchem.inp (generated)

000051816.b3lyp_6-31g(d).gjf (generated)

000051816.b3lyp_6-31g(d).firefly.inp (generated)

000051816.b3lyp_6-31g(d).smash.inp (generated)

000051816.b3lyp_6-31g(d).nwchem.inp (generated) 000051816.b3lyp_6-31g(d).log.xz 000051816.td-b3lyp_6-31g+(d).inp 000051816.td-b3lyp_6-31g+(d).log.xz

000051816.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051816.td-b3lyp_6-31+g(d).gjf (generated)

000051816.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051816.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051816.mol 000051816.PUBCHEM 000051816.mol (via Jmol)
000051817.b3lyp_6-31g(d).inp

000051817.b3lyp_6-31g(d).qchem.inp (generated)

000051817.b3lyp_6-31g(d).gjf (generated)

000051817.b3lyp_6-31g(d).firefly.inp (generated)

000051817.b3lyp_6-31g(d).smash.inp (generated)

000051817.b3lyp_6-31g(d).nwchem.inp (generated) 000051817.b3lyp_6-31g(d).log.xz 000051817.td-b3lyp_6-31g+(d).inp 000051817.td-b3lyp_6-31g+(d).log.xz

000051817.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051817.td-b3lyp_6-31+g(d).gjf (generated)

000051817.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051817.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051817.mol 000051817.PUBCHEM 000051817.mol (via Jmol)
000051824.b3lyp_6-31g(d).inp

000051824.b3lyp_6-31g(d).qchem.inp (generated)

000051824.b3lyp_6-31g(d).gjf (generated)

000051824.b3lyp_6-31g(d).firefly.inp (generated)

000051824.b3lyp_6-31g(d).smash.inp (generated)

000051824.b3lyp_6-31g(d).nwchem.inp (generated) 000051824.b3lyp_6-31g(d).log.xz 000051824.td-b3lyp_6-31g+(d).inp 000051824.td-b3lyp_6-31g+(d).log.xz

000051824.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051824.td-b3lyp_6-31+g(d).gjf (generated)

000051824.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051824.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051824.mol 000051824.PUBCHEM 000051824.mol (via Jmol)
000051850.b3lyp_6-31g(d).inp

000051850.b3lyp_6-31g(d).qchem.inp (generated)

000051850.b3lyp_6-31g(d).gjf (generated)

000051850.b3lyp_6-31g(d).firefly.inp (generated)

000051850.b3lyp_6-31g(d).smash.inp (generated)

000051850.b3lyp_6-31g(d).nwchem.inp (generated) 000051850.b3lyp_6-31g(d).log.xz 000051850.td-b3lyp_6-31g+(d).inp 000051850.td-b3lyp_6-31g+(d).log.xz

000051850.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051850.td-b3lyp_6-31+g(d).gjf (generated)

000051850.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051850.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051850.mol 000051850.PUBCHEM 000051850.mol (via Jmol)
000051857.b3lyp_6-31g(d).inp

000051857.b3lyp_6-31g(d).qchem.inp (generated)

000051857.b3lyp_6-31g(d).gjf (generated)

000051857.b3lyp_6-31g(d).firefly.inp (generated)

000051857.b3lyp_6-31g(d).smash.inp (generated)

000051857.b3lyp_6-31g(d).nwchem.inp (generated) 000051857.b3lyp_6-31g(d).log.xz 000051857.td-b3lyp_6-31g+(d).inp 000051857.td-b3lyp_6-31g+(d).log.xz

000051857.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051857.td-b3lyp_6-31+g(d).gjf (generated)

000051857.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051857.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051857.mol 000051857.PUBCHEM 000051857.mol (via Jmol)
000051885.b3lyp_6-31g(d).inp

000051885.b3lyp_6-31g(d).qchem.inp (generated)

000051885.b3lyp_6-31g(d).gjf (generated)

000051885.b3lyp_6-31g(d).firefly.inp (generated)

000051885.b3lyp_6-31g(d).smash.inp (generated)

000051885.b3lyp_6-31g(d).nwchem.inp (generated) 000051885.b3lyp_6-31g(d).log.xz 000051885.td-b3lyp_6-31g+(d).inp 000051885.td-b3lyp_6-31g+(d).log.xz

000051885.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051885.td-b3lyp_6-31+g(d).gjf (generated)

000051885.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051885.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051885.mol 000051885.PUBCHEM 000051885.mol (via Jmol)
000051886.b3lyp_6-31g(d).inp

000051886.b3lyp_6-31g(d).qchem.inp (generated)

000051886.b3lyp_6-31g(d).gjf (generated)

000051886.b3lyp_6-31g(d).firefly.inp (generated)

000051886.b3lyp_6-31g(d).smash.inp (generated)

000051886.b3lyp_6-31g(d).nwchem.inp (generated) 000051886.b3lyp_6-31g(d).log.xz 000051886.td-b3lyp_6-31g+(d).inp 000051886.td-b3lyp_6-31g+(d).log.xz

000051886.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051886.td-b3lyp_6-31+g(d).gjf (generated)

000051886.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051886.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051886.mol 000051886.PUBCHEM 000051886.mol (via Jmol)
000051897.b3lyp_6-31g(d).inp

000051897.b3lyp_6-31g(d).qchem.inp (generated)

000051897.b3lyp_6-31g(d).gjf (generated)

000051897.b3lyp_6-31g(d).firefly.inp (generated)

000051897.b3lyp_6-31g(d).smash.inp (generated)

000051897.b3lyp_6-31g(d).nwchem.inp (generated) 000051897.b3lyp_6-31g(d).log.xz 000051897.td-b3lyp_6-31g+(d).inp 000051897.td-b3lyp_6-31g+(d).log.xz

000051897.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051897.td-b3lyp_6-31+g(d).gjf (generated)

000051897.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051897.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051897.mol 000051897.PUBCHEM 000051897.mol (via Jmol)
000051903.b3lyp_6-31g(d).inp

000051903.b3lyp_6-31g(d).qchem.inp (generated)

000051903.b3lyp_6-31g(d).gjf (generated)

000051903.b3lyp_6-31g(d).firefly.inp (generated)

000051903.b3lyp_6-31g(d).smash.inp (generated)

000051903.b3lyp_6-31g(d).nwchem.inp (generated) 000051903.b3lyp_6-31g(d).log.xz 000051903.td-b3lyp_6-31g+(d).inp 000051903.td-b3lyp_6-31g+(d).log.xz

000051903.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051903.td-b3lyp_6-31+g(d).gjf (generated)

000051903.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051903.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051903.mol 000051903.PUBCHEM 000051903.mol (via Jmol)
000051905.b3lyp_6-31g(d).inp

000051905.b3lyp_6-31g(d).qchem.inp (generated)

000051905.b3lyp_6-31g(d).gjf (generated)

000051905.b3lyp_6-31g(d).firefly.inp (generated)

000051905.b3lyp_6-31g(d).smash.inp (generated)

000051905.b3lyp_6-31g(d).nwchem.inp (generated) 000051905.b3lyp_6-31g(d).log.xz 000051905.td-b3lyp_6-31g+(d).inp 000051905.td-b3lyp_6-31g+(d).log.xz

000051905.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051905.td-b3lyp_6-31+g(d).gjf (generated)

000051905.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051905.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051905.mol 000051905.PUBCHEM 000051905.mol (via Jmol)
000051906.b3lyp_6-31g(d).inp

000051906.b3lyp_6-31g(d).qchem.inp (generated)

000051906.b3lyp_6-31g(d).gjf (generated)

000051906.b3lyp_6-31g(d).firefly.inp (generated)

000051906.b3lyp_6-31g(d).smash.inp (generated)

000051906.b3lyp_6-31g(d).nwchem.inp (generated) 000051906.b3lyp_6-31g(d).log.xz 000051906.td-b3lyp_6-31g+(d).inp 000051906.td-b3lyp_6-31g+(d).log.xz

000051906.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051906.td-b3lyp_6-31+g(d).gjf (generated)

000051906.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051906.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051906.mol 000051906.PUBCHEM 000051906.mol (via Jmol)
000051908.b3lyp_6-31g(d).inp

000051908.b3lyp_6-31g(d).qchem.inp (generated)

000051908.b3lyp_6-31g(d).gjf (generated)

000051908.b3lyp_6-31g(d).firefly.inp (generated)

000051908.b3lyp_6-31g(d).smash.inp (generated)

000051908.b3lyp_6-31g(d).nwchem.inp (generated) 000051908.b3lyp_6-31g(d).log.xz 000051908.td-b3lyp_6-31g+(d).inp 000051908.td-b3lyp_6-31g+(d).log.xz

000051908.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051908.td-b3lyp_6-31+g(d).gjf (generated)

000051908.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051908.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051908.mol 000051908.PUBCHEM 000051908.mol (via Jmol)
000051909.b3lyp_6-31g(d).inp

000051909.b3lyp_6-31g(d).qchem.inp (generated)

000051909.b3lyp_6-31g(d).gjf (generated)

000051909.b3lyp_6-31g(d).firefly.inp (generated)

000051909.b3lyp_6-31g(d).smash.inp (generated)

000051909.b3lyp_6-31g(d).nwchem.inp (generated) 000051909.b3lyp_6-31g(d).log.xz 000051909.td-b3lyp_6-31g+(d).inp 000051909.td-b3lyp_6-31g+(d).log.xz

000051909.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051909.td-b3lyp_6-31+g(d).gjf (generated)

000051909.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051909.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051909.mol 000051909.PUBCHEM 000051909.mol (via Jmol)
000051917.b3lyp_6-31g(d).inp

000051917.b3lyp_6-31g(d).qchem.inp (generated)

000051917.b3lyp_6-31g(d).gjf (generated)

000051917.b3lyp_6-31g(d).firefly.inp (generated)

000051917.b3lyp_6-31g(d).smash.inp (generated)

000051917.b3lyp_6-31g(d).nwchem.inp (generated) 000051917.b3lyp_6-31g(d).log.xz 000051917.td-b3lyp_6-31g+(d).inp 000051917.td-b3lyp_6-31g+(d).log.xz

000051917.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051917.td-b3lyp_6-31+g(d).gjf (generated)

000051917.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051917.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051917.mol 000051917.PUBCHEM 000051917.mol (via Jmol)
000051918.b3lyp_6-31g(d).inp

000051918.b3lyp_6-31g(d).qchem.inp (generated)

000051918.b3lyp_6-31g(d).gjf (generated)

000051918.b3lyp_6-31g(d).firefly.inp (generated)

000051918.b3lyp_6-31g(d).smash.inp (generated)

000051918.b3lyp_6-31g(d).nwchem.inp (generated) 000051918.b3lyp_6-31g(d).log.xz 000051918.td-b3lyp_6-31g+(d).inp 000051918.td-b3lyp_6-31g+(d).log.xz

000051918.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051918.td-b3lyp_6-31+g(d).gjf (generated)

000051918.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051918.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051918.mol 000051918.PUBCHEM 000051918.mol (via Jmol)
000051924.b3lyp_6-31g(d).inp

000051924.b3lyp_6-31g(d).qchem.inp (generated)

000051924.b3lyp_6-31g(d).gjf (generated)

000051924.b3lyp_6-31g(d).firefly.inp (generated)

000051924.b3lyp_6-31g(d).smash.inp (generated)

000051924.b3lyp_6-31g(d).nwchem.inp (generated) 000051924.b3lyp_6-31g(d).log.xz 000051924.td-b3lyp_6-31g+(d).inp 000051924.td-b3lyp_6-31g+(d).log.xz

000051924.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051924.td-b3lyp_6-31+g(d).gjf (generated)

000051924.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051924.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051924.mol 000051924.PUBCHEM 000051924.mol (via Jmol)
000051929.b3lyp_6-31g(d).inp

000051929.b3lyp_6-31g(d).qchem.inp (generated)

000051929.b3lyp_6-31g(d).gjf (generated)

000051929.b3lyp_6-31g(d).firefly.inp (generated)

000051929.b3lyp_6-31g(d).smash.inp (generated)

000051929.b3lyp_6-31g(d).nwchem.inp (generated) 000051929.b3lyp_6-31g(d).log.xz 000051929.td-b3lyp_6-31g+(d).inp 000051929.td-b3lyp_6-31g+(d).log.xz

000051929.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051929.td-b3lyp_6-31+g(d).gjf (generated)

000051929.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051929.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051929.mol 000051929.PUBCHEM 000051929.mol (via Jmol)
000051931.b3lyp_6-31g(d).inp

000051931.b3lyp_6-31g(d).qchem.inp (generated)

000051931.b3lyp_6-31g(d).gjf (generated)

000051931.b3lyp_6-31g(d).firefly.inp (generated)

000051931.b3lyp_6-31g(d).smash.inp (generated)

000051931.b3lyp_6-31g(d).nwchem.inp (generated) 000051931.b3lyp_6-31g(d).log.xz 000051931.td-b3lyp_6-31g+(d).inp 000051931.td-b3lyp_6-31g+(d).log.xz

000051931.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051931.td-b3lyp_6-31+g(d).gjf (generated)

000051931.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051931.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051931.mol 000051931.PUBCHEM 000051931.mol (via Jmol)
000051933.b3lyp_6-31g(d).inp

000051933.b3lyp_6-31g(d).qchem.inp (generated)

000051933.b3lyp_6-31g(d).gjf (generated)

000051933.b3lyp_6-31g(d).firefly.inp (generated)

000051933.b3lyp_6-31g(d).smash.inp (generated)

000051933.b3lyp_6-31g(d).nwchem.inp (generated) 000051933.b3lyp_6-31g(d).log.xz 000051933.td-b3lyp_6-31g+(d).inp 000051933.td-b3lyp_6-31g+(d).log.xz

000051933.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051933.td-b3lyp_6-31+g(d).gjf (generated)

000051933.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051933.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051933.mol 000051933.PUBCHEM 000051933.mol (via Jmol)
000051934.b3lyp_6-31g(d).inp

000051934.b3lyp_6-31g(d).qchem.inp (generated)

000051934.b3lyp_6-31g(d).gjf (generated)

000051934.b3lyp_6-31g(d).firefly.inp (generated)

000051934.b3lyp_6-31g(d).smash.inp (generated)

000051934.b3lyp_6-31g(d).nwchem.inp (generated) 000051934.b3lyp_6-31g(d).log.xz 000051934.td-b3lyp_6-31g+(d).inp 000051934.td-b3lyp_6-31g+(d).log.xz

000051934.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051934.td-b3lyp_6-31+g(d).gjf (generated)

000051934.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051934.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051934.mol 000051934.PUBCHEM 000051934.mol (via Jmol)
000051944.b3lyp_6-31g(d).inp

000051944.b3lyp_6-31g(d).qchem.inp (generated)

000051944.b3lyp_6-31g(d).gjf (generated)

000051944.b3lyp_6-31g(d).firefly.inp (generated)

000051944.b3lyp_6-31g(d).smash.inp (generated)

000051944.b3lyp_6-31g(d).nwchem.inp (generated) 000051944.b3lyp_6-31g(d).log.xz 000051944.td-b3lyp_6-31g+(d).inp 000051944.td-b3lyp_6-31g+(d).log.xz

000051944.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051944.td-b3lyp_6-31+g(d).gjf (generated)

000051944.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051944.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051944.mol 000051944.PUBCHEM 000051944.mol (via Jmol)
000051946.b3lyp_6-31g(d).inp

000051946.b3lyp_6-31g(d).qchem.inp (generated)

000051946.b3lyp_6-31g(d).gjf (generated)

000051946.b3lyp_6-31g(d).firefly.inp (generated)

000051946.b3lyp_6-31g(d).smash.inp (generated)

000051946.b3lyp_6-31g(d).nwchem.inp (generated) 000051946.b3lyp_6-31g(d).log.xz 000051946.td-b3lyp_6-31g+(d).inp 000051946.td-b3lyp_6-31g+(d).log.xz

000051946.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051946.td-b3lyp_6-31+g(d).gjf (generated)

000051946.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051946.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051946.mol 000051946.PUBCHEM 000051946.mol (via Jmol)
000051955.b3lyp_6-31g(d).inp

000051955.b3lyp_6-31g(d).qchem.inp (generated)

000051955.b3lyp_6-31g(d).gjf (generated)

000051955.b3lyp_6-31g(d).firefly.inp (generated)

000051955.b3lyp_6-31g(d).smash.inp (generated)

000051955.b3lyp_6-31g(d).nwchem.inp (generated) 000051955.b3lyp_6-31g(d).log.xz 000051955.td-b3lyp_6-31g+(d).inp 000051955.td-b3lyp_6-31g+(d).log.xz

000051955.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051955.td-b3lyp_6-31+g(d).gjf (generated)

000051955.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051955.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051955.mol 000051955.PUBCHEM 000051955.mol (via Jmol)
000051957.b3lyp_6-31g(d).inp

000051957.b3lyp_6-31g(d).qchem.inp (generated)

000051957.b3lyp_6-31g(d).gjf (generated)

000051957.b3lyp_6-31g(d).firefly.inp (generated)

000051957.b3lyp_6-31g(d).smash.inp (generated)

000051957.b3lyp_6-31g(d).nwchem.inp (generated) 000051957.b3lyp_6-31g(d).log.xz 000051957.td-b3lyp_6-31g+(d).inp 000051957.td-b3lyp_6-31g+(d).log.xz

000051957.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051957.td-b3lyp_6-31+g(d).gjf (generated)

000051957.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051957.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051957.mol 000051957.PUBCHEM 000051957.mol (via Jmol)
000051966.b3lyp_6-31g(d).inp

000051966.b3lyp_6-31g(d).qchem.inp (generated)

000051966.b3lyp_6-31g(d).gjf (generated)

000051966.b3lyp_6-31g(d).firefly.inp (generated)

000051966.b3lyp_6-31g(d).smash.inp (generated)

000051966.b3lyp_6-31g(d).nwchem.inp (generated) 000051966.b3lyp_6-31g(d).log.xz 000051966.td-b3lyp_6-31g+(d).inp 000051966.td-b3lyp_6-31g+(d).log.xz

000051966.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051966.td-b3lyp_6-31+g(d).gjf (generated)

000051966.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051966.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051966.mol 000051966.PUBCHEM 000051966.mol (via Jmol)
000051978.b3lyp_6-31g(d).inp

000051978.b3lyp_6-31g(d).qchem.inp (generated)

000051978.b3lyp_6-31g(d).gjf (generated)

000051978.b3lyp_6-31g(d).firefly.inp (generated)

000051978.b3lyp_6-31g(d).smash.inp (generated)

000051978.b3lyp_6-31g(d).nwchem.inp (generated) 000051978.b3lyp_6-31g(d).log.xz 000051978.td-b3lyp_6-31g+(d).inp 000051978.td-b3lyp_6-31g+(d).log.xz

000051978.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051978.td-b3lyp_6-31+g(d).gjf (generated)

000051978.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051978.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051978.mol 000051978.PUBCHEM 000051978.mol (via Jmol)
000051980.b3lyp_6-31g(d).inp

000051980.b3lyp_6-31g(d).qchem.inp (generated)

000051980.b3lyp_6-31g(d).gjf (generated)

000051980.b3lyp_6-31g(d).firefly.inp (generated)

000051980.b3lyp_6-31g(d).smash.inp (generated)

000051980.b3lyp_6-31g(d).nwchem.inp (generated) 000051980.b3lyp_6-31g(d).log.xz 000051980.td-b3lyp_6-31g+(d).inp 000051980.td-b3lyp_6-31g+(d).log.xz

000051980.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051980.td-b3lyp_6-31+g(d).gjf (generated)

000051980.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051980.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051980.mol 000051980.PUBCHEM 000051980.mol (via Jmol)
000051982.b3lyp_6-31g(d).inp

000051982.b3lyp_6-31g(d).qchem.inp (generated)

000051982.b3lyp_6-31g(d).gjf (generated)

000051982.b3lyp_6-31g(d).firefly.inp (generated)

000051982.b3lyp_6-31g(d).smash.inp (generated)

000051982.b3lyp_6-31g(d).nwchem.inp (generated) 000051982.b3lyp_6-31g(d).log.xz 000051982.td-b3lyp_6-31g+(d).inp 000051982.td-b3lyp_6-31g+(d).log.xz

000051982.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051982.td-b3lyp_6-31+g(d).gjf (generated)

000051982.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051982.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051982.mol 000051982.PUBCHEM 000051982.mol (via Jmol)
000051985.b3lyp_6-31g(d).inp

000051985.b3lyp_6-31g(d).qchem.inp (generated)

000051985.b3lyp_6-31g(d).gjf (generated)

000051985.b3lyp_6-31g(d).firefly.inp (generated)

000051985.b3lyp_6-31g(d).smash.inp (generated)

000051985.b3lyp_6-31g(d).nwchem.inp (generated) 000051985.b3lyp_6-31g(d).log.xz 000051985.td-b3lyp_6-31g+(d).inp 000051985.td-b3lyp_6-31g+(d).log.xz

000051985.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051985.td-b3lyp_6-31+g(d).gjf (generated)

000051985.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051985.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051985.mol 000051985.PUBCHEM 000051985.mol (via Jmol)
000051991.b3lyp_6-31g(d).inp

000051991.b3lyp_6-31g(d).qchem.inp (generated)

000051991.b3lyp_6-31g(d).gjf (generated)

000051991.b3lyp_6-31g(d).firefly.inp (generated)

000051991.b3lyp_6-31g(d).smash.inp (generated)

000051991.b3lyp_6-31g(d).nwchem.inp (generated) 000051991.b3lyp_6-31g(d).log.xz 000051991.td-b3lyp_6-31g+(d).inp 000051991.td-b3lyp_6-31g+(d).log.xz

000051991.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051991.td-b3lyp_6-31+g(d).gjf (generated)

000051991.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051991.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051991.mol 000051991.PUBCHEM 000051991.mol (via Jmol)
000051992.b3lyp_6-31g(d).inp

000051992.b3lyp_6-31g(d).qchem.inp (generated)

000051992.b3lyp_6-31g(d).gjf (generated)

000051992.b3lyp_6-31g(d).firefly.inp (generated)

000051992.b3lyp_6-31g(d).smash.inp (generated)

000051992.b3lyp_6-31g(d).nwchem.inp (generated) 000051992.b3lyp_6-31g(d).log.xz 000051992.td-b3lyp_6-31g+(d).inp 000051992.td-b3lyp_6-31g+(d).log.xz

000051992.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051992.td-b3lyp_6-31+g(d).gjf (generated)

000051992.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051992.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051992.mol 000051992.PUBCHEM 000051992.mol (via Jmol)
000051997.b3lyp_6-31g(d).inp

000051997.b3lyp_6-31g(d).qchem.inp (generated)

000051997.b3lyp_6-31g(d).gjf (generated)

000051997.b3lyp_6-31g(d).firefly.inp (generated)

000051997.b3lyp_6-31g(d).smash.inp (generated)

000051997.b3lyp_6-31g(d).nwchem.inp (generated) 000051997.b3lyp_6-31g(d).log.xz 000051997.td-b3lyp_6-31g+(d).inp 000051997.td-b3lyp_6-31g+(d).log.xz

000051997.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051997.td-b3lyp_6-31+g(d).gjf (generated)

000051997.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051997.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051997.mol 000051997.PUBCHEM 000051997.mol (via Jmol)
000051998.b3lyp_6-31g(d).inp

000051998.b3lyp_6-31g(d).qchem.inp (generated)

000051998.b3lyp_6-31g(d).gjf (generated)

000051998.b3lyp_6-31g(d).firefly.inp (generated)

000051998.b3lyp_6-31g(d).smash.inp (generated)

000051998.b3lyp_6-31g(d).nwchem.inp (generated) 000051998.b3lyp_6-31g(d).log.xz 000051998.td-b3lyp_6-31g+(d).inp 000051998.td-b3lyp_6-31g+(d).log.xz

000051998.td-b3lyp_6-31+g(d).qchem.inp (generated)

000051998.td-b3lyp_6-31+g(d).gjf (generated)

000051998.td-b3lyp_6-31+g(d).firefly.inp (generated)

000051998.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000051998.mol 000051998.PUBCHEM 000051998.mol (via Jmol)
000052004.b3lyp_6-31g(d).inp

000052004.b3lyp_6-31g(d).qchem.inp (generated)

000052004.b3lyp_6-31g(d).gjf (generated)

000052004.b3lyp_6-31g(d).firefly.inp (generated)

000052004.b3lyp_6-31g(d).smash.inp (generated)

000052004.b3lyp_6-31g(d).nwchem.inp (generated) 000052004.b3lyp_6-31g(d).log.xz 000052004.td-b3lyp_6-31g+(d).inp 000052004.td-b3lyp_6-31g+(d).log.xz

000052004.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052004.td-b3lyp_6-31+g(d).gjf (generated)

000052004.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052004.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052004.mol 000052004.PUBCHEM 000052004.mol (via Jmol)
000052010.b3lyp_6-31g(d).inp

000052010.b3lyp_6-31g(d).qchem.inp (generated)

000052010.b3lyp_6-31g(d).gjf (generated)

000052010.b3lyp_6-31g(d).firefly.inp (generated)

000052010.b3lyp_6-31g(d).smash.inp (generated)

000052010.b3lyp_6-31g(d).nwchem.inp (generated) 000052010.b3lyp_6-31g(d).log.xz 000052010.td-b3lyp_6-31g+(d).inp 000052010.td-b3lyp_6-31g+(d).log.xz

000052010.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052010.td-b3lyp_6-31+g(d).gjf (generated)

000052010.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052010.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052010.mol 000052010.PUBCHEM 000052010.mol (via Jmol)
000052013.b3lyp_6-31g(d).inp

000052013.b3lyp_6-31g(d).qchem.inp (generated)

000052013.b3lyp_6-31g(d).gjf (generated)

000052013.b3lyp_6-31g(d).firefly.inp (generated)

000052013.b3lyp_6-31g(d).smash.inp (generated)

000052013.b3lyp_6-31g(d).nwchem.inp (generated) 000052013.b3lyp_6-31g(d).log.xz 000052013.td-b3lyp_6-31g+(d).inp 000052013.td-b3lyp_6-31g+(d).log.xz

000052013.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052013.td-b3lyp_6-31+g(d).gjf (generated)

000052013.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052013.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052013.mol 000052013.PUBCHEM 000052013.mol (via Jmol)
000052014.b3lyp_6-31g(d).inp

000052014.b3lyp_6-31g(d).qchem.inp (generated)

000052014.b3lyp_6-31g(d).gjf (generated)

000052014.b3lyp_6-31g(d).firefly.inp (generated)

000052014.b3lyp_6-31g(d).smash.inp (generated)

000052014.b3lyp_6-31g(d).nwchem.inp (generated) 000052014.b3lyp_6-31g(d).log.xz 000052014.td-b3lyp_6-31g+(d).inp 000052014.td-b3lyp_6-31g+(d).log.xz

000052014.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052014.td-b3lyp_6-31+g(d).gjf (generated)

000052014.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052014.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052014.mol 000052014.PUBCHEM 000052014.mol (via Jmol)
000052026.b3lyp_6-31g(d).inp

000052026.b3lyp_6-31g(d).qchem.inp (generated)

000052026.b3lyp_6-31g(d).gjf (generated)

000052026.b3lyp_6-31g(d).firefly.inp (generated)

000052026.b3lyp_6-31g(d).smash.inp (generated)

000052026.b3lyp_6-31g(d).nwchem.inp (generated) 000052026.b3lyp_6-31g(d).log.xz 000052026.td-b3lyp_6-31g+(d).inp 000052026.td-b3lyp_6-31g+(d).log.xz

000052026.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052026.td-b3lyp_6-31+g(d).gjf (generated)

000052026.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052026.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052026.mol 000052026.PUBCHEM 000052026.mol (via Jmol)
000052030.b3lyp_6-31g(d).inp

000052030.b3lyp_6-31g(d).qchem.inp (generated)

000052030.b3lyp_6-31g(d).gjf (generated)

000052030.b3lyp_6-31g(d).firefly.inp (generated)

000052030.b3lyp_6-31g(d).smash.inp (generated)

000052030.b3lyp_6-31g(d).nwchem.inp (generated) 000052030.b3lyp_6-31g(d).log.xz 000052030.td-b3lyp_6-31g+(d).inp 000052030.td-b3lyp_6-31g+(d).log.xz

000052030.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052030.td-b3lyp_6-31+g(d).gjf (generated)

000052030.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052030.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052030.mol 000052030.PUBCHEM 000052030.mol (via Jmol)
000052038.b3lyp_6-31g(d).inp

000052038.b3lyp_6-31g(d).qchem.inp (generated)

000052038.b3lyp_6-31g(d).gjf (generated)

000052038.b3lyp_6-31g(d).firefly.inp (generated)

000052038.b3lyp_6-31g(d).smash.inp (generated)

000052038.b3lyp_6-31g(d).nwchem.inp (generated) 000052038.b3lyp_6-31g(d).log.xz 000052038.td-b3lyp_6-31g+(d).inp 000052038.td-b3lyp_6-31g+(d).log.xz

000052038.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052038.td-b3lyp_6-31+g(d).gjf (generated)

000052038.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052038.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052038.mol 000052038.PUBCHEM 000052038.mol (via Jmol)
000052045.b3lyp_6-31g(d).inp

000052045.b3lyp_6-31g(d).qchem.inp (generated)

000052045.b3lyp_6-31g(d).gjf (generated)

000052045.b3lyp_6-31g(d).firefly.inp (generated)

000052045.b3lyp_6-31g(d).smash.inp (generated)

000052045.b3lyp_6-31g(d).nwchem.inp (generated) 000052045.b3lyp_6-31g(d).log.xz 000052045.td-b3lyp_6-31g+(d).inp 000052045.td-b3lyp_6-31g+(d).log.xz

000052045.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052045.td-b3lyp_6-31+g(d).gjf (generated)

000052045.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052045.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052045.mol 000052045.PUBCHEM 000052045.mol (via Jmol)
000052048.b3lyp_6-31g(d).inp

000052048.b3lyp_6-31g(d).qchem.inp (generated)

000052048.b3lyp_6-31g(d).gjf (generated)

000052048.b3lyp_6-31g(d).firefly.inp (generated)

000052048.b3lyp_6-31g(d).smash.inp (generated)

000052048.b3lyp_6-31g(d).nwchem.inp (generated) 000052048.b3lyp_6-31g(d).log.xz 000052048.td-b3lyp_6-31g+(d).inp 000052048.td-b3lyp_6-31g+(d).log.xz

000052048.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052048.td-b3lyp_6-31+g(d).gjf (generated)

000052048.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052048.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052048.mol 000052048.PUBCHEM 000052048.mol (via Jmol)
000052053.b3lyp_6-31g(d).inp

000052053.b3lyp_6-31g(d).qchem.inp (generated)

000052053.b3lyp_6-31g(d).gjf (generated)

000052053.b3lyp_6-31g(d).firefly.inp (generated)

000052053.b3lyp_6-31g(d).smash.inp (generated)

000052053.b3lyp_6-31g(d).nwchem.inp (generated) 000052053.b3lyp_6-31g(d).log.xz 000052053.td-b3lyp_6-31g+(d).inp 000052053.td-b3lyp_6-31g+(d).log.xz

000052053.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052053.td-b3lyp_6-31+g(d).gjf (generated)

000052053.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052053.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052053.mol 000052053.PUBCHEM 000052053.mol (via Jmol)
000052061.b3lyp_6-31g(d).inp

000052061.b3lyp_6-31g(d).qchem.inp (generated)

000052061.b3lyp_6-31g(d).gjf (generated)

000052061.b3lyp_6-31g(d).firefly.inp (generated)

000052061.b3lyp_6-31g(d).smash.inp (generated)

000052061.b3lyp_6-31g(d).nwchem.inp (generated) 000052061.b3lyp_6-31g(d).log.xz 000052061.td-b3lyp_6-31g+(d).inp 000052061.td-b3lyp_6-31g+(d).log.xz

000052061.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052061.td-b3lyp_6-31+g(d).gjf (generated)

000052061.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052061.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052061.mol 000052061.PUBCHEM 000052061.mol (via Jmol)
000052068.b3lyp_6-31g(d).inp

000052068.b3lyp_6-31g(d).qchem.inp (generated)

000052068.b3lyp_6-31g(d).gjf (generated)

000052068.b3lyp_6-31g(d).firefly.inp (generated)

000052068.b3lyp_6-31g(d).smash.inp (generated)

000052068.b3lyp_6-31g(d).nwchem.inp (generated) 000052068.b3lyp_6-31g(d).log.xz 000052068.td-b3lyp_6-31g+(d).inp 000052068.td-b3lyp_6-31g+(d).log.xz

000052068.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052068.td-b3lyp_6-31+g(d).gjf (generated)

000052068.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052068.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052068.mol 000052068.PUBCHEM 000052068.mol (via Jmol)
000052072.b3lyp_6-31g(d).inp

000052072.b3lyp_6-31g(d).qchem.inp (generated)

000052072.b3lyp_6-31g(d).gjf (generated)

000052072.b3lyp_6-31g(d).firefly.inp (generated)

000052072.b3lyp_6-31g(d).smash.inp (generated)

000052072.b3lyp_6-31g(d).nwchem.inp (generated) 000052072.b3lyp_6-31g(d).log.xz 000052072.td-b3lyp_6-31g+(d).inp 000052072.td-b3lyp_6-31g+(d).log.xz

000052072.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052072.td-b3lyp_6-31+g(d).gjf (generated)

000052072.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052072.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052072.mol 000052072.PUBCHEM 000052072.mol (via Jmol)
000052074.b3lyp_6-31g(d).inp

000052074.b3lyp_6-31g(d).qchem.inp (generated)

000052074.b3lyp_6-31g(d).gjf (generated)

000052074.b3lyp_6-31g(d).firefly.inp (generated)

000052074.b3lyp_6-31g(d).smash.inp (generated)

000052074.b3lyp_6-31g(d).nwchem.inp (generated) 000052074.b3lyp_6-31g(d).log.xz 000052074.td-b3lyp_6-31g+(d).inp 000052074.td-b3lyp_6-31g+(d).log.xz

000052074.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052074.td-b3lyp_6-31+g(d).gjf (generated)

000052074.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052074.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052074.mol 000052074.PUBCHEM 000052074.mol (via Jmol)
000052076.b3lyp_6-31g(d).inp

000052076.b3lyp_6-31g(d).qchem.inp (generated)

000052076.b3lyp_6-31g(d).gjf (generated)

000052076.b3lyp_6-31g(d).firefly.inp (generated)

000052076.b3lyp_6-31g(d).smash.inp (generated)

000052076.b3lyp_6-31g(d).nwchem.inp (generated) 000052076.b3lyp_6-31g(d).log.xz 000052076.td-b3lyp_6-31g+(d).inp 000052076.td-b3lyp_6-31g+(d).log.xz

000052076.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052076.td-b3lyp_6-31+g(d).gjf (generated)

000052076.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052076.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052076.mol 000052076.PUBCHEM 000052076.mol (via Jmol)
000052082.b3lyp_6-31g(d).inp

000052082.b3lyp_6-31g(d).qchem.inp (generated)

000052082.b3lyp_6-31g(d).gjf (generated)

000052082.b3lyp_6-31g(d).firefly.inp (generated)

000052082.b3lyp_6-31g(d).smash.inp (generated)

000052082.b3lyp_6-31g(d).nwchem.inp (generated) 000052082.b3lyp_6-31g(d).log.xz 000052082.td-b3lyp_6-31g+(d).inp 000052082.td-b3lyp_6-31g+(d).log.xz

000052082.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052082.td-b3lyp_6-31+g(d).gjf (generated)

000052082.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052082.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052082.mol 000052082.PUBCHEM 000052082.mol (via Jmol)
000052096.b3lyp_6-31g(d).inp

000052096.b3lyp_6-31g(d).qchem.inp (generated)

000052096.b3lyp_6-31g(d).gjf (generated)

000052096.b3lyp_6-31g(d).firefly.inp (generated)

000052096.b3lyp_6-31g(d).smash.inp (generated)

000052096.b3lyp_6-31g(d).nwchem.inp (generated) 000052096.b3lyp_6-31g(d).log.xz 000052096.td-b3lyp_6-31g+(d).inp 000052096.td-b3lyp_6-31g+(d).log.xz

000052096.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052096.td-b3lyp_6-31+g(d).gjf (generated)

000052096.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052096.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052096.mol 000052096.PUBCHEM 000052096.mol (via Jmol)
000052103.b3lyp_6-31g(d).inp

000052103.b3lyp_6-31g(d).qchem.inp (generated)

000052103.b3lyp_6-31g(d).gjf (generated)

000052103.b3lyp_6-31g(d).firefly.inp (generated)

000052103.b3lyp_6-31g(d).smash.inp (generated)

000052103.b3lyp_6-31g(d).nwchem.inp (generated) 000052103.b3lyp_6-31g(d).log.xz 000052103.td-b3lyp_6-31g+(d).inp 000052103.td-b3lyp_6-31g+(d).log.xz

000052103.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052103.td-b3lyp_6-31+g(d).gjf (generated)

000052103.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052103.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052103.mol 000052103.PUBCHEM 000052103.mol (via Jmol)
000052115.b3lyp_6-31g(d).inp

000052115.b3lyp_6-31g(d).qchem.inp (generated)

000052115.b3lyp_6-31g(d).gjf (generated)

000052115.b3lyp_6-31g(d).firefly.inp (generated)

000052115.b3lyp_6-31g(d).smash.inp (generated)

000052115.b3lyp_6-31g(d).nwchem.inp (generated) 000052115.b3lyp_6-31g(d).log.xz 000052115.td-b3lyp_6-31g+(d).inp 000052115.td-b3lyp_6-31g+(d).log.xz

000052115.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052115.td-b3lyp_6-31+g(d).gjf (generated)

000052115.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052115.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052115.mol 000052115.PUBCHEM 000052115.mol (via Jmol)
000052137.b3lyp_6-31g(d).inp

000052137.b3lyp_6-31g(d).qchem.inp (generated)

000052137.b3lyp_6-31g(d).gjf (generated)

000052137.b3lyp_6-31g(d).firefly.inp (generated)

000052137.b3lyp_6-31g(d).smash.inp (generated)

000052137.b3lyp_6-31g(d).nwchem.inp (generated) 000052137.b3lyp_6-31g(d).log.xz 000052137.td-b3lyp_6-31g+(d).inp 000052137.td-b3lyp_6-31g+(d).log.xz

000052137.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052137.td-b3lyp_6-31+g(d).gjf (generated)

000052137.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052137.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052137.mol 000052137.PUBCHEM 000052137.mol (via Jmol)
000052141.b3lyp_6-31g(d).inp

000052141.b3lyp_6-31g(d).qchem.inp (generated)

000052141.b3lyp_6-31g(d).gjf (generated)

000052141.b3lyp_6-31g(d).firefly.inp (generated)

000052141.b3lyp_6-31g(d).smash.inp (generated)

000052141.b3lyp_6-31g(d).nwchem.inp (generated) 000052141.b3lyp_6-31g(d).log.xz 000052141.td-b3lyp_6-31g+(d).inp 000052141.td-b3lyp_6-31g+(d).log.xz

000052141.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052141.td-b3lyp_6-31+g(d).gjf (generated)

000052141.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052141.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052141.mol 000052141.PUBCHEM 000052141.mol (via Jmol)
000052156.b3lyp_6-31g(d).inp

000052156.b3lyp_6-31g(d).qchem.inp (generated)

000052156.b3lyp_6-31g(d).gjf (generated)

000052156.b3lyp_6-31g(d).firefly.inp (generated)

000052156.b3lyp_6-31g(d).smash.inp (generated)

000052156.b3lyp_6-31g(d).nwchem.inp (generated) 000052156.b3lyp_6-31g(d).log.xz 000052156.td-b3lyp_6-31g+(d).inp 000052156.td-b3lyp_6-31g+(d).log.xz

000052156.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052156.td-b3lyp_6-31+g(d).gjf (generated)

000052156.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052156.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052156.mol 000052156.PUBCHEM 000052156.mol (via Jmol)
000052157.b3lyp_6-31g(d).inp

000052157.b3lyp_6-31g(d).qchem.inp (generated)

000052157.b3lyp_6-31g(d).gjf (generated)

000052157.b3lyp_6-31g(d).firefly.inp (generated)

000052157.b3lyp_6-31g(d).smash.inp (generated)

000052157.b3lyp_6-31g(d).nwchem.inp (generated) 000052157.b3lyp_6-31g(d).log.xz 000052157.td-b3lyp_6-31g+(d).inp 000052157.td-b3lyp_6-31g+(d).log.xz

000052157.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052157.td-b3lyp_6-31+g(d).gjf (generated)

000052157.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052157.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052157.mol 000052157.PUBCHEM 000052157.mol (via Jmol)
000052158.b3lyp_6-31g(d).inp

000052158.b3lyp_6-31g(d).qchem.inp (generated)

000052158.b3lyp_6-31g(d).gjf (generated)

000052158.b3lyp_6-31g(d).firefly.inp (generated)

000052158.b3lyp_6-31g(d).smash.inp (generated)

000052158.b3lyp_6-31g(d).nwchem.inp (generated) 000052158.b3lyp_6-31g(d).log.xz 000052158.td-b3lyp_6-31g+(d).inp 000052158.td-b3lyp_6-31g+(d).log.xz

000052158.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052158.td-b3lyp_6-31+g(d).gjf (generated)

000052158.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052158.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052158.mol 000052158.PUBCHEM 000052158.mol (via Jmol)
000052159.b3lyp_6-31g(d).inp

000052159.b3lyp_6-31g(d).qchem.inp (generated)

000052159.b3lyp_6-31g(d).gjf (generated)

000052159.b3lyp_6-31g(d).firefly.inp (generated)

000052159.b3lyp_6-31g(d).smash.inp (generated)

000052159.b3lyp_6-31g(d).nwchem.inp (generated) 000052159.b3lyp_6-31g(d).log.xz 000052159.td-b3lyp_6-31g+(d).inp 000052159.td-b3lyp_6-31g+(d).log.xz

000052159.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052159.td-b3lyp_6-31+g(d).gjf (generated)

000052159.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052159.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052159.mol 000052159.PUBCHEM 000052159.mol (via Jmol)
000052161.b3lyp_6-31g(d).inp

000052161.b3lyp_6-31g(d).qchem.inp (generated)

000052161.b3lyp_6-31g(d).gjf (generated)

000052161.b3lyp_6-31g(d).firefly.inp (generated)

000052161.b3lyp_6-31g(d).smash.inp (generated)

000052161.b3lyp_6-31g(d).nwchem.inp (generated) 000052161.b3lyp_6-31g(d).log.xz 000052161.td-b3lyp_6-31g+(d).inp 000052161.td-b3lyp_6-31g+(d).log.xz

000052161.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052161.td-b3lyp_6-31+g(d).gjf (generated)

000052161.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052161.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052161.mol 000052161.PUBCHEM 000052161.mol (via Jmol)
000052164.b3lyp_6-31g(d).inp

000052164.b3lyp_6-31g(d).qchem.inp (generated)

000052164.b3lyp_6-31g(d).gjf (generated)

000052164.b3lyp_6-31g(d).firefly.inp (generated)

000052164.b3lyp_6-31g(d).smash.inp (generated)

000052164.b3lyp_6-31g(d).nwchem.inp (generated) 000052164.b3lyp_6-31g(d).log.xz 000052164.td-b3lyp_6-31g+(d).inp 000052164.td-b3lyp_6-31g+(d).log.xz

000052164.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052164.td-b3lyp_6-31+g(d).gjf (generated)

000052164.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052164.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052164.mol 000052164.PUBCHEM 000052164.mol (via Jmol)
000052184.b3lyp_6-31g(d).inp

000052184.b3lyp_6-31g(d).qchem.inp (generated)

000052184.b3lyp_6-31g(d).gjf (generated)

000052184.b3lyp_6-31g(d).firefly.inp (generated)

000052184.b3lyp_6-31g(d).smash.inp (generated)

000052184.b3lyp_6-31g(d).nwchem.inp (generated) 000052184.b3lyp_6-31g(d).log.xz 000052184.td-b3lyp_6-31g+(d).inp 000052184.td-b3lyp_6-31g+(d).log.xz

000052184.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052184.td-b3lyp_6-31+g(d).gjf (generated)

000052184.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052184.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052184.mol 000052184.PUBCHEM 000052184.mol (via Jmol)
000052191.b3lyp_6-31g(d).inp

000052191.b3lyp_6-31g(d).qchem.inp (generated)

000052191.b3lyp_6-31g(d).gjf (generated)

000052191.b3lyp_6-31g(d).firefly.inp (generated)

000052191.b3lyp_6-31g(d).smash.inp (generated)

000052191.b3lyp_6-31g(d).nwchem.inp (generated) 000052191.b3lyp_6-31g(d).log.xz 000052191.td-b3lyp_6-31g+(d).inp 000052191.td-b3lyp_6-31g+(d).log.xz

000052191.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052191.td-b3lyp_6-31+g(d).gjf (generated)

000052191.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052191.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052191.mol 000052191.PUBCHEM 000052191.mol (via Jmol)
000052193.b3lyp_6-31g(d).inp

000052193.b3lyp_6-31g(d).qchem.inp (generated)

000052193.b3lyp_6-31g(d).gjf (generated)

000052193.b3lyp_6-31g(d).firefly.inp (generated)

000052193.b3lyp_6-31g(d).smash.inp (generated)

000052193.b3lyp_6-31g(d).nwchem.inp (generated) 000052193.b3lyp_6-31g(d).log.xz 000052193.td-b3lyp_6-31g+(d).inp 000052193.td-b3lyp_6-31g+(d).log.xz

000052193.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052193.td-b3lyp_6-31+g(d).gjf (generated)

000052193.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052193.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052193.mol 000052193.PUBCHEM 000052193.mol (via Jmol)
000052198.b3lyp_6-31g(d).inp

000052198.b3lyp_6-31g(d).qchem.inp (generated)

000052198.b3lyp_6-31g(d).gjf (generated)

000052198.b3lyp_6-31g(d).firefly.inp (generated)

000052198.b3lyp_6-31g(d).smash.inp (generated)

000052198.b3lyp_6-31g(d).nwchem.inp (generated) 000052198.b3lyp_6-31g(d).log.xz 000052198.td-b3lyp_6-31g+(d).inp 000052198.td-b3lyp_6-31g+(d).log.xz

000052198.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052198.td-b3lyp_6-31+g(d).gjf (generated)

000052198.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052198.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052198.mol 000052198.PUBCHEM 000052198.mol (via Jmol)
000052204.b3lyp_6-31g(d).inp

000052204.b3lyp_6-31g(d).qchem.inp (generated)

000052204.b3lyp_6-31g(d).gjf (generated)

000052204.b3lyp_6-31g(d).firefly.inp (generated)

000052204.b3lyp_6-31g(d).smash.inp (generated)

000052204.b3lyp_6-31g(d).nwchem.inp (generated) 000052204.b3lyp_6-31g(d).log.xz 000052204.td-b3lyp_6-31g+(d).inp 000052204.td-b3lyp_6-31g+(d).log.xz

000052204.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052204.td-b3lyp_6-31+g(d).gjf (generated)

000052204.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052204.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052204.mol 000052204.PUBCHEM 000052204.mol (via Jmol)
000052206.b3lyp_6-31g(d).inp

000052206.b3lyp_6-31g(d).qchem.inp (generated)

000052206.b3lyp_6-31g(d).gjf (generated)

000052206.b3lyp_6-31g(d).firefly.inp (generated)

000052206.b3lyp_6-31g(d).smash.inp (generated)

000052206.b3lyp_6-31g(d).nwchem.inp (generated) 000052206.b3lyp_6-31g(d).log.xz 000052206.td-b3lyp_6-31g+(d).inp 000052206.td-b3lyp_6-31g+(d).log.xz

000052206.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052206.td-b3lyp_6-31+g(d).gjf (generated)

000052206.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052206.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052206.mol 000052206.PUBCHEM 000052206.mol (via Jmol)
000052208.b3lyp_6-31g(d).inp

000052208.b3lyp_6-31g(d).qchem.inp (generated)

000052208.b3lyp_6-31g(d).gjf (generated)

000052208.b3lyp_6-31g(d).firefly.inp (generated)

000052208.b3lyp_6-31g(d).smash.inp (generated)

000052208.b3lyp_6-31g(d).nwchem.inp (generated) 000052208.b3lyp_6-31g(d).log.xz 000052208.td-b3lyp_6-31g+(d).inp 000052208.td-b3lyp_6-31g+(d).log.xz

000052208.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052208.td-b3lyp_6-31+g(d).gjf (generated)

000052208.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052208.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052208.mol 000052208.PUBCHEM 000052208.mol (via Jmol)
000052210.b3lyp_6-31g(d).inp

000052210.b3lyp_6-31g(d).qchem.inp (generated)

000052210.b3lyp_6-31g(d).gjf (generated)

000052210.b3lyp_6-31g(d).firefly.inp (generated)

000052210.b3lyp_6-31g(d).smash.inp (generated)

000052210.b3lyp_6-31g(d).nwchem.inp (generated) 000052210.b3lyp_6-31g(d).log.xz 000052210.td-b3lyp_6-31g+(d).inp 000052210.td-b3lyp_6-31g+(d).log.xz

000052210.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052210.td-b3lyp_6-31+g(d).gjf (generated)

000052210.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052210.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052210.mol 000052210.PUBCHEM 000052210.mol (via Jmol)
000052237.b3lyp_6-31g(d).inp

000052237.b3lyp_6-31g(d).qchem.inp (generated)

000052237.b3lyp_6-31g(d).gjf (generated)

000052237.b3lyp_6-31g(d).firefly.inp (generated)

000052237.b3lyp_6-31g(d).smash.inp (generated)

000052237.b3lyp_6-31g(d).nwchem.inp (generated) 000052237.b3lyp_6-31g(d).log.xz 000052237.td-b3lyp_6-31g+(d).inp 000052237.td-b3lyp_6-31g+(d).log.xz

000052237.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052237.td-b3lyp_6-31+g(d).gjf (generated)

000052237.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052237.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052237.mol 000052237.PUBCHEM 000052237.mol (via Jmol)
000052239.b3lyp_6-31g(d).inp

000052239.b3lyp_6-31g(d).qchem.inp (generated)

000052239.b3lyp_6-31g(d).gjf (generated)

000052239.b3lyp_6-31g(d).firefly.inp (generated)

000052239.b3lyp_6-31g(d).smash.inp (generated)

000052239.b3lyp_6-31g(d).nwchem.inp (generated) 000052239.b3lyp_6-31g(d).log.xz 000052239.td-b3lyp_6-31g+(d).inp 000052239.td-b3lyp_6-31g+(d).log.xz

000052239.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052239.td-b3lyp_6-31+g(d).gjf (generated)

000052239.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052239.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052239.mol 000052239.PUBCHEM 000052239.mol (via Jmol)
000052241.b3lyp_6-31g(d).inp

000052241.b3lyp_6-31g(d).qchem.inp (generated)

000052241.b3lyp_6-31g(d).gjf (generated)

000052241.b3lyp_6-31g(d).firefly.inp (generated)

000052241.b3lyp_6-31g(d).smash.inp (generated)

000052241.b3lyp_6-31g(d).nwchem.inp (generated) 000052241.b3lyp_6-31g(d).log.xz 000052241.td-b3lyp_6-31g+(d).inp 000052241.td-b3lyp_6-31g+(d).log.xz

000052241.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052241.td-b3lyp_6-31+g(d).gjf (generated)

000052241.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052241.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052241.mol 000052241.PUBCHEM 000052241.mol (via Jmol)
000052273.b3lyp_6-31g(d).inp

000052273.b3lyp_6-31g(d).qchem.inp (generated)

000052273.b3lyp_6-31g(d).gjf (generated)

000052273.b3lyp_6-31g(d).firefly.inp (generated)

000052273.b3lyp_6-31g(d).smash.inp (generated)

000052273.b3lyp_6-31g(d).nwchem.inp (generated) 000052273.b3lyp_6-31g(d).log.xz 000052273.td-b3lyp_6-31g+(d).inp 000052273.td-b3lyp_6-31g+(d).log.xz

000052273.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052273.td-b3lyp_6-31+g(d).gjf (generated)

000052273.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052273.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052273.mol 000052273.PUBCHEM 000052273.mol (via Jmol)
000052280.b3lyp_6-31g(d).inp

000052280.b3lyp_6-31g(d).qchem.inp (generated)

000052280.b3lyp_6-31g(d).gjf (generated)

000052280.b3lyp_6-31g(d).firefly.inp (generated)

000052280.b3lyp_6-31g(d).smash.inp (generated)

000052280.b3lyp_6-31g(d).nwchem.inp (generated) 000052280.b3lyp_6-31g(d).log.xz 000052280.td-b3lyp_6-31g+(d).inp 000052280.td-b3lyp_6-31g+(d).log.xz

000052280.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052280.td-b3lyp_6-31+g(d).gjf (generated)

000052280.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052280.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052280.mol 000052280.PUBCHEM 000052280.mol (via Jmol)
000052286.b3lyp_6-31g(d).inp

000052286.b3lyp_6-31g(d).qchem.inp (generated)

000052286.b3lyp_6-31g(d).gjf (generated)

000052286.b3lyp_6-31g(d).firefly.inp (generated)

000052286.b3lyp_6-31g(d).smash.inp (generated)

000052286.b3lyp_6-31g(d).nwchem.inp (generated) 000052286.b3lyp_6-31g(d).log.xz 000052286.td-b3lyp_6-31g+(d).inp 000052286.td-b3lyp_6-31g+(d).log.xz

000052286.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052286.td-b3lyp_6-31+g(d).gjf (generated)

000052286.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052286.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052286.mol 000052286.PUBCHEM 000052286.mol (via Jmol)
000052291.b3lyp_6-31g(d).inp

000052291.b3lyp_6-31g(d).qchem.inp (generated)

000052291.b3lyp_6-31g(d).gjf (generated)

000052291.b3lyp_6-31g(d).firefly.inp (generated)

000052291.b3lyp_6-31g(d).smash.inp (generated)

000052291.b3lyp_6-31g(d).nwchem.inp (generated) 000052291.b3lyp_6-31g(d).log.xz 000052291.td-b3lyp_6-31g+(d).inp 000052291.td-b3lyp_6-31g+(d).log.xz

000052291.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052291.td-b3lyp_6-31+g(d).gjf (generated)

000052291.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052291.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052291.mol 000052291.PUBCHEM 000052291.mol (via Jmol)
000052295.b3lyp_6-31g(d).inp

000052295.b3lyp_6-31g(d).qchem.inp (generated)

000052295.b3lyp_6-31g(d).gjf (generated)

000052295.b3lyp_6-31g(d).firefly.inp (generated)

000052295.b3lyp_6-31g(d).smash.inp (generated)

000052295.b3lyp_6-31g(d).nwchem.inp (generated) 000052295.b3lyp_6-31g(d).log.xz 000052295.td-b3lyp_6-31g+(d).inp 000052295.td-b3lyp_6-31g+(d).log.xz

000052295.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052295.td-b3lyp_6-31+g(d).gjf (generated)

000052295.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052295.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052295.mol 000052295.PUBCHEM 000052295.mol (via Jmol)
000052303.b3lyp_6-31g(d).inp

000052303.b3lyp_6-31g(d).qchem.inp (generated)

000052303.b3lyp_6-31g(d).gjf (generated)

000052303.b3lyp_6-31g(d).firefly.inp (generated)

000052303.b3lyp_6-31g(d).smash.inp (generated)

000052303.b3lyp_6-31g(d).nwchem.inp (generated) 000052303.b3lyp_6-31g(d).log.xz 000052303.td-b3lyp_6-31g+(d).inp 000052303.td-b3lyp_6-31g+(d).log.xz

000052303.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052303.td-b3lyp_6-31+g(d).gjf (generated)

000052303.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052303.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052303.mol 000052303.PUBCHEM 000052303.mol (via Jmol)
000052304.b3lyp_6-31g(d).inp

000052304.b3lyp_6-31g(d).qchem.inp (generated)

000052304.b3lyp_6-31g(d).gjf (generated)

000052304.b3lyp_6-31g(d).firefly.inp (generated)

000052304.b3lyp_6-31g(d).smash.inp (generated)

000052304.b3lyp_6-31g(d).nwchem.inp (generated) 000052304.b3lyp_6-31g(d).log.xz 000052304.td-b3lyp_6-31g+(d).inp 000052304.td-b3lyp_6-31g+(d).log.xz

000052304.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052304.td-b3lyp_6-31+g(d).gjf (generated)

000052304.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052304.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052304.mol 000052304.PUBCHEM 000052304.mol (via Jmol)
000052307.b3lyp_6-31g(d).inp

000052307.b3lyp_6-31g(d).qchem.inp (generated)

000052307.b3lyp_6-31g(d).gjf (generated)

000052307.b3lyp_6-31g(d).firefly.inp (generated)

000052307.b3lyp_6-31g(d).smash.inp (generated)

000052307.b3lyp_6-31g(d).nwchem.inp (generated) 000052307.b3lyp_6-31g(d).log.xz 000052307.td-b3lyp_6-31g+(d).inp 000052307.td-b3lyp_6-31g+(d).log.xz

000052307.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052307.td-b3lyp_6-31+g(d).gjf (generated)

000052307.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052307.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052307.mol 000052307.PUBCHEM 000052307.mol (via Jmol)
000052311.b3lyp_6-31g(d).inp

000052311.b3lyp_6-31g(d).qchem.inp (generated)

000052311.b3lyp_6-31g(d).gjf (generated)

000052311.b3lyp_6-31g(d).firefly.inp (generated)

000052311.b3lyp_6-31g(d).smash.inp (generated)

000052311.b3lyp_6-31g(d).nwchem.inp (generated) 000052311.b3lyp_6-31g(d).log.xz 000052311.td-b3lyp_6-31g+(d).inp 000052311.td-b3lyp_6-31g+(d).log.xz

000052311.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052311.td-b3lyp_6-31+g(d).gjf (generated)

000052311.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052311.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052311.mol 000052311.PUBCHEM 000052311.mol (via Jmol)
000052313.b3lyp_6-31g(d).inp

000052313.b3lyp_6-31g(d).qchem.inp (generated)

000052313.b3lyp_6-31g(d).gjf (generated)

000052313.b3lyp_6-31g(d).firefly.inp (generated)

000052313.b3lyp_6-31g(d).smash.inp (generated)

000052313.b3lyp_6-31g(d).nwchem.inp (generated) 000052313.b3lyp_6-31g(d).log.xz 000052313.td-b3lyp_6-31g+(d).inp 000052313.td-b3lyp_6-31g+(d).log.xz

000052313.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052313.td-b3lyp_6-31+g(d).gjf (generated)

000052313.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052313.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052313.mol 000052313.PUBCHEM 000052313.mol (via Jmol)
000052314.b3lyp_6-31g(d).inp

000052314.b3lyp_6-31g(d).qchem.inp (generated)

000052314.b3lyp_6-31g(d).gjf (generated)

000052314.b3lyp_6-31g(d).firefly.inp (generated)

000052314.b3lyp_6-31g(d).smash.inp (generated)

000052314.b3lyp_6-31g(d).nwchem.inp (generated) 000052314.b3lyp_6-31g(d).log.xz 000052314.td-b3lyp_6-31g+(d).inp 000052314.td-b3lyp_6-31g+(d).log.xz

000052314.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052314.td-b3lyp_6-31+g(d).gjf (generated)

000052314.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052314.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052314.mol 000052314.PUBCHEM 000052314.mol (via Jmol)
000052321.b3lyp_6-31g(d).inp

000052321.b3lyp_6-31g(d).qchem.inp (generated)

000052321.b3lyp_6-31g(d).gjf (generated)

000052321.b3lyp_6-31g(d).firefly.inp (generated)

000052321.b3lyp_6-31g(d).smash.inp (generated)

000052321.b3lyp_6-31g(d).nwchem.inp (generated) 000052321.b3lyp_6-31g(d).log.xz 000052321.td-b3lyp_6-31g+(d).inp 000052321.td-b3lyp_6-31g+(d).log.xz

000052321.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052321.td-b3lyp_6-31+g(d).gjf (generated)

000052321.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052321.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052321.mol 000052321.PUBCHEM 000052321.mol (via Jmol)
000052323.b3lyp_6-31g(d).inp

000052323.b3lyp_6-31g(d).qchem.inp (generated)

000052323.b3lyp_6-31g(d).gjf (generated)

000052323.b3lyp_6-31g(d).firefly.inp (generated)

000052323.b3lyp_6-31g(d).smash.inp (generated)

000052323.b3lyp_6-31g(d).nwchem.inp (generated) 000052323.b3lyp_6-31g(d).log.xz 000052323.td-b3lyp_6-31g+(d).inp 000052323.td-b3lyp_6-31g+(d).log.xz

000052323.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052323.td-b3lyp_6-31+g(d).gjf (generated)

000052323.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052323.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052323.mol 000052323.PUBCHEM 000052323.mol (via Jmol)
000052324.b3lyp_6-31g(d).inp

000052324.b3lyp_6-31g(d).qchem.inp (generated)

000052324.b3lyp_6-31g(d).gjf (generated)

000052324.b3lyp_6-31g(d).firefly.inp (generated)

000052324.b3lyp_6-31g(d).smash.inp (generated)

000052324.b3lyp_6-31g(d).nwchem.inp (generated) 000052324.b3lyp_6-31g(d).log.xz 000052324.td-b3lyp_6-31g+(d).inp 000052324.td-b3lyp_6-31g+(d).log.xz

000052324.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052324.td-b3lyp_6-31+g(d).gjf (generated)

000052324.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052324.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052324.mol 000052324.PUBCHEM 000052324.mol (via Jmol)
000052328.b3lyp_6-31g(d).inp

000052328.b3lyp_6-31g(d).qchem.inp (generated)

000052328.b3lyp_6-31g(d).gjf (generated)

000052328.b3lyp_6-31g(d).firefly.inp (generated)

000052328.b3lyp_6-31g(d).smash.inp (generated)

000052328.b3lyp_6-31g(d).nwchem.inp (generated) 000052328.b3lyp_6-31g(d).log.xz 000052328.td-b3lyp_6-31g+(d).inp 000052328.td-b3lyp_6-31g+(d).log.xz

000052328.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052328.td-b3lyp_6-31+g(d).gjf (generated)

000052328.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052328.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052328.mol 000052328.PUBCHEM 000052328.mol (via Jmol)
000052330.b3lyp_6-31g(d).inp

000052330.b3lyp_6-31g(d).qchem.inp (generated)

000052330.b3lyp_6-31g(d).gjf (generated)

000052330.b3lyp_6-31g(d).firefly.inp (generated)

000052330.b3lyp_6-31g(d).smash.inp (generated)

000052330.b3lyp_6-31g(d).nwchem.inp (generated) 000052330.b3lyp_6-31g(d).log.xz 000052330.td-b3lyp_6-31g+(d).inp 000052330.td-b3lyp_6-31g+(d).log.xz

000052330.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052330.td-b3lyp_6-31+g(d).gjf (generated)

000052330.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052330.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052330.mol 000052330.PUBCHEM 000052330.mol (via Jmol)
000052331.b3lyp_6-31g(d).inp

000052331.b3lyp_6-31g(d).qchem.inp (generated)

000052331.b3lyp_6-31g(d).gjf (generated)

000052331.b3lyp_6-31g(d).firefly.inp (generated)

000052331.b3lyp_6-31g(d).smash.inp (generated)

000052331.b3lyp_6-31g(d).nwchem.inp (generated) 000052331.b3lyp_6-31g(d).log.xz 000052331.td-b3lyp_6-31g+(d).inp 000052331.td-b3lyp_6-31g+(d).log.xz

000052331.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052331.td-b3lyp_6-31+g(d).gjf (generated)

000052331.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052331.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052331.mol 000052331.PUBCHEM 000052331.mol (via Jmol)
000052344.b3lyp_6-31g(d).inp

000052344.b3lyp_6-31g(d).qchem.inp (generated)

000052344.b3lyp_6-31g(d).gjf (generated)

000052344.b3lyp_6-31g(d).firefly.inp (generated)

000052344.b3lyp_6-31g(d).smash.inp (generated)

000052344.b3lyp_6-31g(d).nwchem.inp (generated) 000052344.b3lyp_6-31g(d).log.xz 000052344.td-b3lyp_6-31g+(d).inp 000052344.td-b3lyp_6-31g+(d).log.xz

000052344.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052344.td-b3lyp_6-31+g(d).gjf (generated)

000052344.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052344.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052344.mol 000052344.PUBCHEM 000052344.mol (via Jmol)
000052346.b3lyp_6-31g(d).inp

000052346.b3lyp_6-31g(d).qchem.inp (generated)

000052346.b3lyp_6-31g(d).gjf (generated)

000052346.b3lyp_6-31g(d).firefly.inp (generated)

000052346.b3lyp_6-31g(d).smash.inp (generated)

000052346.b3lyp_6-31g(d).nwchem.inp (generated) 000052346.b3lyp_6-31g(d).log.xz 000052346.td-b3lyp_6-31g+(d).inp 000052346.td-b3lyp_6-31g+(d).log.xz

000052346.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052346.td-b3lyp_6-31+g(d).gjf (generated)

000052346.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052346.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052346.mol 000052346.PUBCHEM 000052346.mol (via Jmol)
000052348.b3lyp_6-31g(d).inp

000052348.b3lyp_6-31g(d).qchem.inp (generated)

000052348.b3lyp_6-31g(d).gjf (generated)

000052348.b3lyp_6-31g(d).firefly.inp (generated)

000052348.b3lyp_6-31g(d).smash.inp (generated)

000052348.b3lyp_6-31g(d).nwchem.inp (generated) 000052348.b3lyp_6-31g(d).log.xz 000052348.td-b3lyp_6-31g+(d).inp 000052348.td-b3lyp_6-31g+(d).log.xz

000052348.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052348.td-b3lyp_6-31+g(d).gjf (generated)

000052348.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052348.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052348.mol 000052348.PUBCHEM 000052348.mol (via Jmol)
000052360.b3lyp_6-31g(d).inp

000052360.b3lyp_6-31g(d).qchem.inp (generated)

000052360.b3lyp_6-31g(d).gjf (generated)

000052360.b3lyp_6-31g(d).firefly.inp (generated)

000052360.b3lyp_6-31g(d).smash.inp (generated)

000052360.b3lyp_6-31g(d).nwchem.inp (generated) 000052360.b3lyp_6-31g(d).log.xz 000052360.td-b3lyp_6-31g+(d).inp 000052360.td-b3lyp_6-31g+(d).log.xz

000052360.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052360.td-b3lyp_6-31+g(d).gjf (generated)

000052360.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052360.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052360.mol 000052360.PUBCHEM 000052360.mol (via Jmol)
000052364.b3lyp_6-31g(d).inp

000052364.b3lyp_6-31g(d).qchem.inp (generated)

000052364.b3lyp_6-31g(d).gjf (generated)

000052364.b3lyp_6-31g(d).firefly.inp (generated)

000052364.b3lyp_6-31g(d).smash.inp (generated)

000052364.b3lyp_6-31g(d).nwchem.inp (generated) 000052364.b3lyp_6-31g(d).log.xz 000052364.td-b3lyp_6-31g+(d).inp 000052364.td-b3lyp_6-31g+(d).log.xz

000052364.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052364.td-b3lyp_6-31+g(d).gjf (generated)

000052364.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052364.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052364.mol 000052364.PUBCHEM 000052364.mol (via Jmol)
000052366.b3lyp_6-31g(d).inp

000052366.b3lyp_6-31g(d).qchem.inp (generated)

000052366.b3lyp_6-31g(d).gjf (generated)

000052366.b3lyp_6-31g(d).firefly.inp (generated)

000052366.b3lyp_6-31g(d).smash.inp (generated)

000052366.b3lyp_6-31g(d).nwchem.inp (generated) 000052366.b3lyp_6-31g(d).log.xz 000052366.td-b3lyp_6-31g+(d).inp 000052366.td-b3lyp_6-31g+(d).log.xz

000052366.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052366.td-b3lyp_6-31+g(d).gjf (generated)

000052366.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052366.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052366.mol 000052366.PUBCHEM 000052366.mol (via Jmol)
000052371.b3lyp_6-31g(d).inp

000052371.b3lyp_6-31g(d).qchem.inp (generated)

000052371.b3lyp_6-31g(d).gjf (generated)

000052371.b3lyp_6-31g(d).firefly.inp (generated)

000052371.b3lyp_6-31g(d).smash.inp (generated)

000052371.b3lyp_6-31g(d).nwchem.inp (generated) 000052371.b3lyp_6-31g(d).log.xz 000052371.td-b3lyp_6-31g+(d).inp 000052371.td-b3lyp_6-31g+(d).log.xz

000052371.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052371.td-b3lyp_6-31+g(d).gjf (generated)

000052371.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052371.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052371.mol 000052371.PUBCHEM 000052371.mol (via Jmol)
000052373.b3lyp_6-31g(d).inp

000052373.b3lyp_6-31g(d).qchem.inp (generated)

000052373.b3lyp_6-31g(d).gjf (generated)

000052373.b3lyp_6-31g(d).firefly.inp (generated)

000052373.b3lyp_6-31g(d).smash.inp (generated)

000052373.b3lyp_6-31g(d).nwchem.inp (generated) 000052373.b3lyp_6-31g(d).log.xz 000052373.td-b3lyp_6-31g+(d).inp 000052373.td-b3lyp_6-31g+(d).log.xz

000052373.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052373.td-b3lyp_6-31+g(d).gjf (generated)

000052373.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052373.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052373.mol 000052373.PUBCHEM 000052373.mol (via Jmol)
000052375.b3lyp_6-31g(d).inp

000052375.b3lyp_6-31g(d).qchem.inp (generated)

000052375.b3lyp_6-31g(d).gjf (generated)

000052375.b3lyp_6-31g(d).firefly.inp (generated)

000052375.b3lyp_6-31g(d).smash.inp (generated)

000052375.b3lyp_6-31g(d).nwchem.inp (generated) 000052375.b3lyp_6-31g(d).log.xz 000052375.td-b3lyp_6-31g+(d).inp 000052375.td-b3lyp_6-31g+(d).log.xz

000052375.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052375.td-b3lyp_6-31+g(d).gjf (generated)

000052375.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052375.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052375.mol 000052375.PUBCHEM 000052375.mol (via Jmol)
000052381.b3lyp_6-31g(d).inp

000052381.b3lyp_6-31g(d).qchem.inp (generated)

000052381.b3lyp_6-31g(d).gjf (generated)

000052381.b3lyp_6-31g(d).firefly.inp (generated)

000052381.b3lyp_6-31g(d).smash.inp (generated)

000052381.b3lyp_6-31g(d).nwchem.inp (generated) 000052381.b3lyp_6-31g(d).log.xz 000052381.td-b3lyp_6-31g+(d).inp 000052381.td-b3lyp_6-31g+(d).log.xz

000052381.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052381.td-b3lyp_6-31+g(d).gjf (generated)

000052381.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052381.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052381.mol 000052381.PUBCHEM 000052381.mol (via Jmol)
000052383.b3lyp_6-31g(d).inp

000052383.b3lyp_6-31g(d).qchem.inp (generated)

000052383.b3lyp_6-31g(d).gjf (generated)

000052383.b3lyp_6-31g(d).firefly.inp (generated)

000052383.b3lyp_6-31g(d).smash.inp (generated)

000052383.b3lyp_6-31g(d).nwchem.inp (generated) 000052383.b3lyp_6-31g(d).log.xz 000052383.td-b3lyp_6-31g+(d).inp 000052383.td-b3lyp_6-31g+(d).log.xz

000052383.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052383.td-b3lyp_6-31+g(d).gjf (generated)

000052383.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052383.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052383.mol 000052383.PUBCHEM 000052383.mol (via Jmol)
000052388.b3lyp_6-31g(d).inp

000052388.b3lyp_6-31g(d).qchem.inp (generated)

000052388.b3lyp_6-31g(d).gjf (generated)

000052388.b3lyp_6-31g(d).firefly.inp (generated)

000052388.b3lyp_6-31g(d).smash.inp (generated)

000052388.b3lyp_6-31g(d).nwchem.inp (generated) 000052388.b3lyp_6-31g(d).log.xz 000052388.td-b3lyp_6-31g+(d).inp 000052388.td-b3lyp_6-31g+(d).log.xz

000052388.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052388.td-b3lyp_6-31+g(d).gjf (generated)

000052388.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052388.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052388.mol 000052388.PUBCHEM 000052388.mol (via Jmol)
000052402.b3lyp_6-31g(d).inp

000052402.b3lyp_6-31g(d).qchem.inp (generated)

000052402.b3lyp_6-31g(d).gjf (generated)

000052402.b3lyp_6-31g(d).firefly.inp (generated)

000052402.b3lyp_6-31g(d).smash.inp (generated)

000052402.b3lyp_6-31g(d).nwchem.inp (generated) 000052402.b3lyp_6-31g(d).log.xz 000052402.td-b3lyp_6-31g+(d).inp 000052402.td-b3lyp_6-31g+(d).log.xz

000052402.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052402.td-b3lyp_6-31+g(d).gjf (generated)

000052402.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052402.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052402.mol 000052402.PUBCHEM 000052402.mol (via Jmol)
000052403.b3lyp_6-31g(d).inp

000052403.b3lyp_6-31g(d).qchem.inp (generated)

000052403.b3lyp_6-31g(d).gjf (generated)

000052403.b3lyp_6-31g(d).firefly.inp (generated)

000052403.b3lyp_6-31g(d).smash.inp (generated)

000052403.b3lyp_6-31g(d).nwchem.inp (generated) 000052403.b3lyp_6-31g(d).log.xz 000052403.td-b3lyp_6-31g+(d).inp 000052403.td-b3lyp_6-31g+(d).log.xz

000052403.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052403.td-b3lyp_6-31+g(d).gjf (generated)

000052403.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052403.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052403.mol 000052403.PUBCHEM 000052403.mol (via Jmol)
000052404.b3lyp_6-31g(d).inp

000052404.b3lyp_6-31g(d).qchem.inp (generated)

000052404.b3lyp_6-31g(d).gjf (generated)

000052404.b3lyp_6-31g(d).firefly.inp (generated)

000052404.b3lyp_6-31g(d).smash.inp (generated)

000052404.b3lyp_6-31g(d).nwchem.inp (generated) 000052404.b3lyp_6-31g(d).log.xz 000052404.td-b3lyp_6-31g+(d).inp 000052404.td-b3lyp_6-31g+(d).log.xz

000052404.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052404.td-b3lyp_6-31+g(d).gjf (generated)

000052404.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052404.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052404.mol 000052404.PUBCHEM 000052404.mol (via Jmol)
000052407.b3lyp_6-31g(d).inp

000052407.b3lyp_6-31g(d).qchem.inp (generated)

000052407.b3lyp_6-31g(d).gjf (generated)

000052407.b3lyp_6-31g(d).firefly.inp (generated)

000052407.b3lyp_6-31g(d).smash.inp (generated)

000052407.b3lyp_6-31g(d).nwchem.inp (generated) 000052407.b3lyp_6-31g(d).log.xz 000052407.td-b3lyp_6-31g+(d).inp 000052407.td-b3lyp_6-31g+(d).log.xz

000052407.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052407.td-b3lyp_6-31+g(d).gjf (generated)

000052407.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052407.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052407.mol 000052407.PUBCHEM 000052407.mol (via Jmol)
000052411.b3lyp_6-31g(d).inp

000052411.b3lyp_6-31g(d).qchem.inp (generated)

000052411.b3lyp_6-31g(d).gjf (generated)

000052411.b3lyp_6-31g(d).firefly.inp (generated)

000052411.b3lyp_6-31g(d).smash.inp (generated)

000052411.b3lyp_6-31g(d).nwchem.inp (generated) 000052411.b3lyp_6-31g(d).log.xz 000052411.td-b3lyp_6-31g+(d).inp 000052411.td-b3lyp_6-31g+(d).log.xz

000052411.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052411.td-b3lyp_6-31+g(d).gjf (generated)

000052411.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052411.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052411.mol 000052411.PUBCHEM 000052411.mol (via Jmol)
000052413.b3lyp_6-31g(d).inp

000052413.b3lyp_6-31g(d).qchem.inp (generated)

000052413.b3lyp_6-31g(d).gjf (generated)

000052413.b3lyp_6-31g(d).firefly.inp (generated)

000052413.b3lyp_6-31g(d).smash.inp (generated)

000052413.b3lyp_6-31g(d).nwchem.inp (generated) 000052413.b3lyp_6-31g(d).log.xz 000052413.td-b3lyp_6-31g+(d).inp 000052413.td-b3lyp_6-31g+(d).log.xz

000052413.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052413.td-b3lyp_6-31+g(d).gjf (generated)

000052413.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052413.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052413.mol 000052413.PUBCHEM 000052413.mol (via Jmol)
000052425.b3lyp_6-31g(d).inp

000052425.b3lyp_6-31g(d).qchem.inp (generated)

000052425.b3lyp_6-31g(d).gjf (generated)

000052425.b3lyp_6-31g(d).firefly.inp (generated)

000052425.b3lyp_6-31g(d).smash.inp (generated)

000052425.b3lyp_6-31g(d).nwchem.inp (generated) 000052425.b3lyp_6-31g(d).log.xz 000052425.td-b3lyp_6-31g+(d).inp 000052425.td-b3lyp_6-31g+(d).log.xz

000052425.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052425.td-b3lyp_6-31+g(d).gjf (generated)

000052425.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052425.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052425.mol 000052425.PUBCHEM 000052425.mol (via Jmol)
000052483.b3lyp_6-31g(d).inp

000052483.b3lyp_6-31g(d).qchem.inp (generated)

000052483.b3lyp_6-31g(d).gjf (generated)

000052483.b3lyp_6-31g(d).firefly.inp (generated)

000052483.b3lyp_6-31g(d).smash.inp (generated)

000052483.b3lyp_6-31g(d).nwchem.inp (generated) 000052483.b3lyp_6-31g(d).log.xz 000052483.td-b3lyp_6-31g+(d).inp 000052483.td-b3lyp_6-31g+(d).log.xz

000052483.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052483.td-b3lyp_6-31+g(d).gjf (generated)

000052483.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052483.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052483.mol 000052483.PUBCHEM 000052483.mol (via Jmol)
000052503.b3lyp_6-31g(d).inp

000052503.b3lyp_6-31g(d).qchem.inp (generated)

000052503.b3lyp_6-31g(d).gjf (generated)

000052503.b3lyp_6-31g(d).firefly.inp (generated)

000052503.b3lyp_6-31g(d).smash.inp (generated)

000052503.b3lyp_6-31g(d).nwchem.inp (generated) 000052503.b3lyp_6-31g(d).log.xz 000052503.td-b3lyp_6-31g+(d).inp 000052503.td-b3lyp_6-31g+(d).log.xz

000052503.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052503.td-b3lyp_6-31+g(d).gjf (generated)

000052503.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052503.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052503.mol 000052503.PUBCHEM 000052503.mol (via Jmol)
000052505.b3lyp_6-31g(d).inp

000052505.b3lyp_6-31g(d).qchem.inp (generated)

000052505.b3lyp_6-31g(d).gjf (generated)

000052505.b3lyp_6-31g(d).firefly.inp (generated)

000052505.b3lyp_6-31g(d).smash.inp (generated)

000052505.b3lyp_6-31g(d).nwchem.inp (generated) 000052505.b3lyp_6-31g(d).log.xz 000052505.td-b3lyp_6-31g+(d).inp 000052505.td-b3lyp_6-31g+(d).log.xz

000052505.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052505.td-b3lyp_6-31+g(d).gjf (generated)

000052505.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052505.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052505.mol 000052505.PUBCHEM 000052505.mol (via Jmol)
000052506.b3lyp_6-31g(d).inp

000052506.b3lyp_6-31g(d).qchem.inp (generated)

000052506.b3lyp_6-31g(d).gjf (generated)

000052506.b3lyp_6-31g(d).firefly.inp (generated)

000052506.b3lyp_6-31g(d).smash.inp (generated)

000052506.b3lyp_6-31g(d).nwchem.inp (generated) 000052506.b3lyp_6-31g(d).log.xz 000052506.td-b3lyp_6-31g+(d).inp 000052506.td-b3lyp_6-31g+(d).log.xz

000052506.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052506.td-b3lyp_6-31+g(d).gjf (generated)

000052506.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052506.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052506.mol 000052506.PUBCHEM 000052506.mol (via Jmol)
000052519.b3lyp_6-31g(d).inp

000052519.b3lyp_6-31g(d).qchem.inp (generated)

000052519.b3lyp_6-31g(d).gjf (generated)

000052519.b3lyp_6-31g(d).firefly.inp (generated)

000052519.b3lyp_6-31g(d).smash.inp (generated)

000052519.b3lyp_6-31g(d).nwchem.inp (generated) 000052519.b3lyp_6-31g(d).log.xz 000052519.td-b3lyp_6-31g+(d).inp 000052519.td-b3lyp_6-31g+(d).log.xz

000052519.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052519.td-b3lyp_6-31+g(d).gjf (generated)

000052519.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052519.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052519.mol 000052519.PUBCHEM 000052519.mol (via Jmol)
000052521.b3lyp_6-31g(d).inp

000052521.b3lyp_6-31g(d).qchem.inp (generated)

000052521.b3lyp_6-31g(d).gjf (generated)

000052521.b3lyp_6-31g(d).firefly.inp (generated)

000052521.b3lyp_6-31g(d).smash.inp (generated)

000052521.b3lyp_6-31g(d).nwchem.inp (generated) 000052521.b3lyp_6-31g(d).log.xz 000052521.td-b3lyp_6-31g+(d).inp 000052521.td-b3lyp_6-31g+(d).log.xz

000052521.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052521.td-b3lyp_6-31+g(d).gjf (generated)

000052521.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052521.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052521.mol 000052521.PUBCHEM 000052521.mol (via Jmol)
000052532.b3lyp_6-31g(d).inp

000052532.b3lyp_6-31g(d).qchem.inp (generated)

000052532.b3lyp_6-31g(d).gjf (generated)

000052532.b3lyp_6-31g(d).firefly.inp (generated)

000052532.b3lyp_6-31g(d).smash.inp (generated)

000052532.b3lyp_6-31g(d).nwchem.inp (generated) 000052532.b3lyp_6-31g(d).log.xz 000052532.td-b3lyp_6-31g+(d).inp 000052532.td-b3lyp_6-31g+(d).log.xz

000052532.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052532.td-b3lyp_6-31+g(d).gjf (generated)

000052532.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052532.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052532.mol 000052532.PUBCHEM 000052532.mol (via Jmol)
000052536.b3lyp_6-31g(d).inp

000052536.b3lyp_6-31g(d).qchem.inp (generated)

000052536.b3lyp_6-31g(d).gjf (generated)

000052536.b3lyp_6-31g(d).firefly.inp (generated)

000052536.b3lyp_6-31g(d).smash.inp (generated)

000052536.b3lyp_6-31g(d).nwchem.inp (generated) 000052536.b3lyp_6-31g(d).log.xz 000052536.td-b3lyp_6-31g+(d).inp 000052536.td-b3lyp_6-31g+(d).log.xz

000052536.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052536.td-b3lyp_6-31+g(d).gjf (generated)

000052536.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052536.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052536.mol 000052536.PUBCHEM 000052536.mol (via Jmol)
000052539.b3lyp_6-31g(d).inp

000052539.b3lyp_6-31g(d).qchem.inp (generated)

000052539.b3lyp_6-31g(d).gjf (generated)

000052539.b3lyp_6-31g(d).firefly.inp (generated)

000052539.b3lyp_6-31g(d).smash.inp (generated)

000052539.b3lyp_6-31g(d).nwchem.inp (generated) 000052539.b3lyp_6-31g(d).log.xz 000052539.td-b3lyp_6-31g+(d).inp 000052539.td-b3lyp_6-31g+(d).log.xz

000052539.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052539.td-b3lyp_6-31+g(d).gjf (generated)

000052539.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052539.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052539.mol 000052539.PUBCHEM 000052539.mol (via Jmol)
000052545.b3lyp_6-31g(d).inp

000052545.b3lyp_6-31g(d).qchem.inp (generated)

000052545.b3lyp_6-31g(d).gjf (generated)

000052545.b3lyp_6-31g(d).firefly.inp (generated)

000052545.b3lyp_6-31g(d).smash.inp (generated)

000052545.b3lyp_6-31g(d).nwchem.inp (generated) 000052545.b3lyp_6-31g(d).log.xz 000052545.td-b3lyp_6-31g+(d).inp 000052545.td-b3lyp_6-31g+(d).log.xz

000052545.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052545.td-b3lyp_6-31+g(d).gjf (generated)

000052545.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052545.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052545.mol 000052545.PUBCHEM 000052545.mol (via Jmol)
000052547.b3lyp_6-31g(d).inp

000052547.b3lyp_6-31g(d).qchem.inp (generated)

000052547.b3lyp_6-31g(d).gjf (generated)

000052547.b3lyp_6-31g(d).firefly.inp (generated)

000052547.b3lyp_6-31g(d).smash.inp (generated)

000052547.b3lyp_6-31g(d).nwchem.inp (generated) 000052547.b3lyp_6-31g(d).log.xz 000052547.td-b3lyp_6-31g+(d).inp 000052547.td-b3lyp_6-31g+(d).log.xz

000052547.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052547.td-b3lyp_6-31+g(d).gjf (generated)

000052547.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052547.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052547.mol 000052547.PUBCHEM 000052547.mol (via Jmol)
000052549.b3lyp_6-31g(d).inp

000052549.b3lyp_6-31g(d).qchem.inp (generated)

000052549.b3lyp_6-31g(d).gjf (generated)

000052549.b3lyp_6-31g(d).firefly.inp (generated)

000052549.b3lyp_6-31g(d).smash.inp (generated)

000052549.b3lyp_6-31g(d).nwchem.inp (generated) 000052549.b3lyp_6-31g(d).log.xz 000052549.td-b3lyp_6-31g+(d).inp 000052549.td-b3lyp_6-31g+(d).log.xz

000052549.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052549.td-b3lyp_6-31+g(d).gjf (generated)

000052549.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052549.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052549.mol 000052549.PUBCHEM 000052549.mol (via Jmol)
000052550.b3lyp_6-31g(d).inp

000052550.b3lyp_6-31g(d).qchem.inp (generated)

000052550.b3lyp_6-31g(d).gjf (generated)

000052550.b3lyp_6-31g(d).firefly.inp (generated)

000052550.b3lyp_6-31g(d).smash.inp (generated)

000052550.b3lyp_6-31g(d).nwchem.inp (generated) 000052550.b3lyp_6-31g(d).log.xz 000052550.td-b3lyp_6-31g+(d).inp 000052550.td-b3lyp_6-31g+(d).log.xz

000052550.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052550.td-b3lyp_6-31+g(d).gjf (generated)

000052550.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052550.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052550.mol 000052550.PUBCHEM 000052550.mol (via Jmol)
000052554.b3lyp_6-31g(d).inp

000052554.b3lyp_6-31g(d).qchem.inp (generated)

000052554.b3lyp_6-31g(d).gjf (generated)

000052554.b3lyp_6-31g(d).firefly.inp (generated)

000052554.b3lyp_6-31g(d).smash.inp (generated)

000052554.b3lyp_6-31g(d).nwchem.inp (generated) 000052554.b3lyp_6-31g(d).log.xz 000052554.td-b3lyp_6-31g+(d).inp 000052554.td-b3lyp_6-31g+(d).log.xz

000052554.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052554.td-b3lyp_6-31+g(d).gjf (generated)

000052554.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052554.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052554.mol 000052554.PUBCHEM 000052554.mol (via Jmol)
000052558.b3lyp_6-31g(d).inp

000052558.b3lyp_6-31g(d).qchem.inp (generated)

000052558.b3lyp_6-31g(d).gjf (generated)

000052558.b3lyp_6-31g(d).firefly.inp (generated)

000052558.b3lyp_6-31g(d).smash.inp (generated)

000052558.b3lyp_6-31g(d).nwchem.inp (generated) 000052558.b3lyp_6-31g(d).log.xz 000052558.td-b3lyp_6-31g+(d).inp 000052558.td-b3lyp_6-31g+(d).log.xz

000052558.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052558.td-b3lyp_6-31+g(d).gjf (generated)

000052558.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052558.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052558.mol 000052558.PUBCHEM 000052558.mol (via Jmol)
000052559.b3lyp_6-31g(d).inp

000052559.b3lyp_6-31g(d).qchem.inp (generated)

000052559.b3lyp_6-31g(d).gjf (generated)

000052559.b3lyp_6-31g(d).firefly.inp (generated)

000052559.b3lyp_6-31g(d).smash.inp (generated)

000052559.b3lyp_6-31g(d).nwchem.inp (generated) 000052559.b3lyp_6-31g(d).log.xz 000052559.td-b3lyp_6-31g+(d).inp 000052559.td-b3lyp_6-31g+(d).log.xz

000052559.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052559.td-b3lyp_6-31+g(d).gjf (generated)

000052559.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052559.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052559.mol 000052559.PUBCHEM 000052559.mol (via Jmol)
000052561.b3lyp_6-31g(d).inp

000052561.b3lyp_6-31g(d).qchem.inp (generated)

000052561.b3lyp_6-31g(d).gjf (generated)

000052561.b3lyp_6-31g(d).firefly.inp (generated)

000052561.b3lyp_6-31g(d).smash.inp (generated)

000052561.b3lyp_6-31g(d).nwchem.inp (generated) 000052561.b3lyp_6-31g(d).log.xz 000052561.td-b3lyp_6-31g+(d).inp 000052561.td-b3lyp_6-31g+(d).log.xz

000052561.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052561.td-b3lyp_6-31+g(d).gjf (generated)

000052561.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052561.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052561.mol 000052561.PUBCHEM 000052561.mol (via Jmol)
000052564.b3lyp_6-31g(d).inp

000052564.b3lyp_6-31g(d).qchem.inp (generated)

000052564.b3lyp_6-31g(d).gjf (generated)

000052564.b3lyp_6-31g(d).firefly.inp (generated)

000052564.b3lyp_6-31g(d).smash.inp (generated)

000052564.b3lyp_6-31g(d).nwchem.inp (generated) 000052564.b3lyp_6-31g(d).log.xz 000052564.td-b3lyp_6-31g+(d).inp 000052564.td-b3lyp_6-31g+(d).log.xz

000052564.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052564.td-b3lyp_6-31+g(d).gjf (generated)

000052564.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052564.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052564.mol 000052564.PUBCHEM 000052564.mol (via Jmol)
000052570.b3lyp_6-31g(d).inp

000052570.b3lyp_6-31g(d).qchem.inp (generated)

000052570.b3lyp_6-31g(d).gjf (generated)

000052570.b3lyp_6-31g(d).firefly.inp (generated)

000052570.b3lyp_6-31g(d).smash.inp (generated)

000052570.b3lyp_6-31g(d).nwchem.inp (generated) 000052570.b3lyp_6-31g(d).log.xz 000052570.td-b3lyp_6-31g+(d).inp 000052570.td-b3lyp_6-31g+(d).log.xz

000052570.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052570.td-b3lyp_6-31+g(d).gjf (generated)

000052570.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052570.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052570.mol 000052570.PUBCHEM 000052570.mol (via Jmol)
000052573.b3lyp_6-31g(d).inp

000052573.b3lyp_6-31g(d).qchem.inp (generated)

000052573.b3lyp_6-31g(d).gjf (generated)

000052573.b3lyp_6-31g(d).firefly.inp (generated)

000052573.b3lyp_6-31g(d).smash.inp (generated)

000052573.b3lyp_6-31g(d).nwchem.inp (generated) 000052573.b3lyp_6-31g(d).log.xz 000052573.td-b3lyp_6-31g+(d).inp 000052573.td-b3lyp_6-31g+(d).log.xz

000052573.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052573.td-b3lyp_6-31+g(d).gjf (generated)

000052573.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052573.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052573.mol 000052573.PUBCHEM 000052573.mol (via Jmol)
000052575.b3lyp_6-31g(d).inp

000052575.b3lyp_6-31g(d).qchem.inp (generated)

000052575.b3lyp_6-31g(d).gjf (generated)

000052575.b3lyp_6-31g(d).firefly.inp (generated)

000052575.b3lyp_6-31g(d).smash.inp (generated)

000052575.b3lyp_6-31g(d).nwchem.inp (generated) 000052575.b3lyp_6-31g(d).log.xz 000052575.td-b3lyp_6-31g+(d).inp 000052575.td-b3lyp_6-31g+(d).log.xz

000052575.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052575.td-b3lyp_6-31+g(d).gjf (generated)

000052575.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052575.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052575.mol 000052575.PUBCHEM 000052575.mol (via Jmol)
000052577.b3lyp_6-31g(d).inp

000052577.b3lyp_6-31g(d).qchem.inp (generated)

000052577.b3lyp_6-31g(d).gjf (generated)

000052577.b3lyp_6-31g(d).firefly.inp (generated)

000052577.b3lyp_6-31g(d).smash.inp (generated)

000052577.b3lyp_6-31g(d).nwchem.inp (generated) 000052577.b3lyp_6-31g(d).log.xz 000052577.td-b3lyp_6-31g+(d).inp 000052577.td-b3lyp_6-31g+(d).log.xz

000052577.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052577.td-b3lyp_6-31+g(d).gjf (generated)

000052577.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052577.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052577.mol 000052577.PUBCHEM 000052577.mol (via Jmol)
000052591.b3lyp_6-31g(d).inp

000052591.b3lyp_6-31g(d).qchem.inp (generated)

000052591.b3lyp_6-31g(d).gjf (generated)

000052591.b3lyp_6-31g(d).firefly.inp (generated)

000052591.b3lyp_6-31g(d).smash.inp (generated)

000052591.b3lyp_6-31g(d).nwchem.inp (generated) 000052591.b3lyp_6-31g(d).log.xz 000052591.td-b3lyp_6-31g+(d).inp 000052591.td-b3lyp_6-31g+(d).log.xz

000052591.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052591.td-b3lyp_6-31+g(d).gjf (generated)

000052591.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052591.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052591.mol 000052591.PUBCHEM 000052591.mol (via Jmol)
000052612.b3lyp_6-31g(d).inp

000052612.b3lyp_6-31g(d).qchem.inp (generated)

000052612.b3lyp_6-31g(d).gjf (generated)

000052612.b3lyp_6-31g(d).firefly.inp (generated)

000052612.b3lyp_6-31g(d).smash.inp (generated)

000052612.b3lyp_6-31g(d).nwchem.inp (generated) 000052612.b3lyp_6-31g(d).log.xz 000052612.td-b3lyp_6-31g+(d).inp 000052612.td-b3lyp_6-31g+(d).log.xz

000052612.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052612.td-b3lyp_6-31+g(d).gjf (generated)

000052612.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052612.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052612.mol 000052612.PUBCHEM 000052612.mol (via Jmol)
000052616.b3lyp_6-31g(d).inp

000052616.b3lyp_6-31g(d).qchem.inp (generated)

000052616.b3lyp_6-31g(d).gjf (generated)

000052616.b3lyp_6-31g(d).firefly.inp (generated)

000052616.b3lyp_6-31g(d).smash.inp (generated)

000052616.b3lyp_6-31g(d).nwchem.inp (generated) 000052616.b3lyp_6-31g(d).log.xz 000052616.td-b3lyp_6-31g+(d).inp 000052616.td-b3lyp_6-31g+(d).log.xz

000052616.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052616.td-b3lyp_6-31+g(d).gjf (generated)

000052616.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052616.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052616.mol 000052616.PUBCHEM 000052616.mol (via Jmol)
000052621.b3lyp_6-31g(d).inp

000052621.b3lyp_6-31g(d).qchem.inp (generated)

000052621.b3lyp_6-31g(d).gjf (generated)

000052621.b3lyp_6-31g(d).firefly.inp (generated)

000052621.b3lyp_6-31g(d).smash.inp (generated)

000052621.b3lyp_6-31g(d).nwchem.inp (generated) 000052621.b3lyp_6-31g(d).log.xz 000052621.td-b3lyp_6-31g+(d).inp 000052621.td-b3lyp_6-31g+(d).log.xz

000052621.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052621.td-b3lyp_6-31+g(d).gjf (generated)

000052621.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052621.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052621.mol 000052621.PUBCHEM 000052621.mol (via Jmol)
000052648.b3lyp_6-31g(d).inp

000052648.b3lyp_6-31g(d).qchem.inp (generated)

000052648.b3lyp_6-31g(d).gjf (generated)

000052648.b3lyp_6-31g(d).firefly.inp (generated)

000052648.b3lyp_6-31g(d).smash.inp (generated)

000052648.b3lyp_6-31g(d).nwchem.inp (generated) 000052648.b3lyp_6-31g(d).log.xz 000052648.td-b3lyp_6-31g+(d).inp 000052648.td-b3lyp_6-31g+(d).log.xz

000052648.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052648.td-b3lyp_6-31+g(d).gjf (generated)

000052648.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052648.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052648.mol 000052648.PUBCHEM 000052648.mol (via Jmol)
000052652.b3lyp_6-31g(d).inp

000052652.b3lyp_6-31g(d).qchem.inp (generated)

000052652.b3lyp_6-31g(d).gjf (generated)

000052652.b3lyp_6-31g(d).firefly.inp (generated)

000052652.b3lyp_6-31g(d).smash.inp (generated)

000052652.b3lyp_6-31g(d).nwchem.inp (generated) 000052652.b3lyp_6-31g(d).log.xz 000052652.td-b3lyp_6-31g+(d).inp 000052652.td-b3lyp_6-31g+(d).log.xz

000052652.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052652.td-b3lyp_6-31+g(d).gjf (generated)

000052652.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052652.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052652.mol 000052652.PUBCHEM 000052652.mol (via Jmol)
000052683.b3lyp_6-31g(d).inp

000052683.b3lyp_6-31g(d).qchem.inp (generated)

000052683.b3lyp_6-31g(d).gjf (generated)

000052683.b3lyp_6-31g(d).firefly.inp (generated)

000052683.b3lyp_6-31g(d).smash.inp (generated)

000052683.b3lyp_6-31g(d).nwchem.inp (generated) 000052683.b3lyp_6-31g(d).log.xz 000052683.td-b3lyp_6-31g+(d).inp 000052683.td-b3lyp_6-31g+(d).log.xz

000052683.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052683.td-b3lyp_6-31+g(d).gjf (generated)

000052683.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052683.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052683.mol 000052683.PUBCHEM 000052683.mol (via Jmol)
000052684.b3lyp_6-31g(d).inp

000052684.b3lyp_6-31g(d).qchem.inp (generated)

000052684.b3lyp_6-31g(d).gjf (generated)

000052684.b3lyp_6-31g(d).firefly.inp (generated)

000052684.b3lyp_6-31g(d).smash.inp (generated)

000052684.b3lyp_6-31g(d).nwchem.inp (generated) 000052684.b3lyp_6-31g(d).log.xz 000052684.td-b3lyp_6-31g+(d).inp 000052684.td-b3lyp_6-31g+(d).log.xz

000052684.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052684.td-b3lyp_6-31+g(d).gjf (generated)

000052684.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052684.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052684.mol 000052684.PUBCHEM 000052684.mol (via Jmol)
000052685.b3lyp_6-31g(d).inp

000052685.b3lyp_6-31g(d).qchem.inp (generated)

000052685.b3lyp_6-31g(d).gjf (generated)

000052685.b3lyp_6-31g(d).firefly.inp (generated)

000052685.b3lyp_6-31g(d).smash.inp (generated)

000052685.b3lyp_6-31g(d).nwchem.inp (generated) 000052685.b3lyp_6-31g(d).log.xz 000052685.td-b3lyp_6-31g+(d).inp 000052685.td-b3lyp_6-31g+(d).log.xz

000052685.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052685.td-b3lyp_6-31+g(d).gjf (generated)

000052685.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052685.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052685.mol 000052685.PUBCHEM 000052685.mol (via Jmol)
000052687.b3lyp_6-31g(d).inp

000052687.b3lyp_6-31g(d).qchem.inp (generated)

000052687.b3lyp_6-31g(d).gjf (generated)

000052687.b3lyp_6-31g(d).firefly.inp (generated)

000052687.b3lyp_6-31g(d).smash.inp (generated)

000052687.b3lyp_6-31g(d).nwchem.inp (generated) 000052687.b3lyp_6-31g(d).log.xz 000052687.td-b3lyp_6-31g+(d).inp 000052687.td-b3lyp_6-31g+(d).log.xz

000052687.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052687.td-b3lyp_6-31+g(d).gjf (generated)

000052687.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052687.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052687.mol 000052687.PUBCHEM 000052687.mol (via Jmol)
000052688.b3lyp_6-31g(d).inp

000052688.b3lyp_6-31g(d).qchem.inp (generated)

000052688.b3lyp_6-31g(d).gjf (generated)

000052688.b3lyp_6-31g(d).firefly.inp (generated)

000052688.b3lyp_6-31g(d).smash.inp (generated)

000052688.b3lyp_6-31g(d).nwchem.inp (generated) 000052688.b3lyp_6-31g(d).log.xz 000052688.td-b3lyp_6-31g+(d).inp 000052688.td-b3lyp_6-31g+(d).log.xz

000052688.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052688.td-b3lyp_6-31+g(d).gjf (generated)

000052688.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052688.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052688.mol 000052688.PUBCHEM 000052688.mol (via Jmol)
000052689.b3lyp_6-31g(d).inp

000052689.b3lyp_6-31g(d).qchem.inp (generated)

000052689.b3lyp_6-31g(d).gjf (generated)

000052689.b3lyp_6-31g(d).firefly.inp (generated)

000052689.b3lyp_6-31g(d).smash.inp (generated)

000052689.b3lyp_6-31g(d).nwchem.inp (generated) 000052689.b3lyp_6-31g(d).log.xz 000052689.td-b3lyp_6-31g+(d).inp 000052689.td-b3lyp_6-31g+(d).log.xz

000052689.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052689.td-b3lyp_6-31+g(d).gjf (generated)

000052689.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052689.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052689.mol 000052689.PUBCHEM 000052689.mol (via Jmol)
000052692.b3lyp_6-31g(d).inp

000052692.b3lyp_6-31g(d).qchem.inp (generated)

000052692.b3lyp_6-31g(d).gjf (generated)

000052692.b3lyp_6-31g(d).firefly.inp (generated)

000052692.b3lyp_6-31g(d).smash.inp (generated)

000052692.b3lyp_6-31g(d).nwchem.inp (generated) 000052692.b3lyp_6-31g(d).log.xz 000052692.td-b3lyp_6-31g+(d).inp 000052692.td-b3lyp_6-31g+(d).log.xz

000052692.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052692.td-b3lyp_6-31+g(d).gjf (generated)

000052692.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052692.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052692.mol 000052692.PUBCHEM 000052692.mol (via Jmol)
000052693.b3lyp_6-31g(d).inp

000052693.b3lyp_6-31g(d).qchem.inp (generated)

000052693.b3lyp_6-31g(d).gjf (generated)

000052693.b3lyp_6-31g(d).firefly.inp (generated)

000052693.b3lyp_6-31g(d).smash.inp (generated)

000052693.b3lyp_6-31g(d).nwchem.inp (generated) 000052693.b3lyp_6-31g(d).log.xz 000052693.td-b3lyp_6-31g+(d).inp 000052693.td-b3lyp_6-31g+(d).log.xz

000052693.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052693.td-b3lyp_6-31+g(d).gjf (generated)

000052693.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052693.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052693.mol 000052693.PUBCHEM 000052693.mol (via Jmol)
000052694.b3lyp_6-31g(d).inp

000052694.b3lyp_6-31g(d).qchem.inp (generated)

000052694.b3lyp_6-31g(d).gjf (generated)

000052694.b3lyp_6-31g(d).firefly.inp (generated)

000052694.b3lyp_6-31g(d).smash.inp (generated)

000052694.b3lyp_6-31g(d).nwchem.inp (generated) 000052694.b3lyp_6-31g(d).log.xz 000052694.td-b3lyp_6-31g+(d).inp 000052694.td-b3lyp_6-31g+(d).log.xz

000052694.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052694.td-b3lyp_6-31+g(d).gjf (generated)

000052694.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052694.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052694.mol 000052694.PUBCHEM 000052694.mol (via Jmol)
000052696.b3lyp_6-31g(d).inp

000052696.b3lyp_6-31g(d).qchem.inp (generated)

000052696.b3lyp_6-31g(d).gjf (generated)

000052696.b3lyp_6-31g(d).firefly.inp (generated)

000052696.b3lyp_6-31g(d).smash.inp (generated)

000052696.b3lyp_6-31g(d).nwchem.inp (generated) 000052696.b3lyp_6-31g(d).log.xz 000052696.td-b3lyp_6-31g+(d).inp 000052696.td-b3lyp_6-31g+(d).log.xz

000052696.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052696.td-b3lyp_6-31+g(d).gjf (generated)

000052696.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052696.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052696.mol 000052696.PUBCHEM 000052696.mol (via Jmol)
000052697.b3lyp_6-31g(d).inp

000052697.b3lyp_6-31g(d).qchem.inp (generated)

000052697.b3lyp_6-31g(d).gjf (generated)

000052697.b3lyp_6-31g(d).firefly.inp (generated)

000052697.b3lyp_6-31g(d).smash.inp (generated)

000052697.b3lyp_6-31g(d).nwchem.inp (generated) 000052697.b3lyp_6-31g(d).log.xz 000052697.td-b3lyp_6-31g+(d).inp 000052697.td-b3lyp_6-31g+(d).log.xz

000052697.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052697.td-b3lyp_6-31+g(d).gjf (generated)

000052697.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052697.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052697.mol 000052697.PUBCHEM 000052697.mol (via Jmol)
000052699.b3lyp_6-31g(d).inp

000052699.b3lyp_6-31g(d).qchem.inp (generated)

000052699.b3lyp_6-31g(d).gjf (generated)

000052699.b3lyp_6-31g(d).firefly.inp (generated)

000052699.b3lyp_6-31g(d).smash.inp (generated)

000052699.b3lyp_6-31g(d).nwchem.inp (generated) 000052699.b3lyp_6-31g(d).log.xz 000052699.td-b3lyp_6-31g+(d).inp 000052699.td-b3lyp_6-31g+(d).log.xz

000052699.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052699.td-b3lyp_6-31+g(d).gjf (generated)

000052699.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052699.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052699.mol 000052699.PUBCHEM 000052699.mol (via Jmol)
000052700.b3lyp_6-31g(d).inp

000052700.b3lyp_6-31g(d).qchem.inp (generated)

000052700.b3lyp_6-31g(d).gjf (generated)

000052700.b3lyp_6-31g(d).firefly.inp (generated)

000052700.b3lyp_6-31g(d).smash.inp (generated)

000052700.b3lyp_6-31g(d).nwchem.inp (generated) 000052700.b3lyp_6-31g(d).log.xz 000052700.td-b3lyp_6-31g+(d).inp 000052700.td-b3lyp_6-31g+(d).log.xz

000052700.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052700.td-b3lyp_6-31+g(d).gjf (generated)

000052700.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052700.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052700.mol 000052700.PUBCHEM 000052700.mol (via Jmol)
000052701.b3lyp_6-31g(d).inp

000052701.b3lyp_6-31g(d).qchem.inp (generated)

000052701.b3lyp_6-31g(d).gjf (generated)

000052701.b3lyp_6-31g(d).firefly.inp (generated)

000052701.b3lyp_6-31g(d).smash.inp (generated)

000052701.b3lyp_6-31g(d).nwchem.inp (generated) 000052701.b3lyp_6-31g(d).log.xz 000052701.td-b3lyp_6-31g+(d).inp 000052701.td-b3lyp_6-31g+(d).log.xz

000052701.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052701.td-b3lyp_6-31+g(d).gjf (generated)

000052701.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052701.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052701.mol 000052701.PUBCHEM 000052701.mol (via Jmol)
000052702.b3lyp_6-31g(d).inp

000052702.b3lyp_6-31g(d).qchem.inp (generated)

000052702.b3lyp_6-31g(d).gjf (generated)

000052702.b3lyp_6-31g(d).firefly.inp (generated)

000052702.b3lyp_6-31g(d).smash.inp (generated)

000052702.b3lyp_6-31g(d).nwchem.inp (generated) 000052702.b3lyp_6-31g(d).log.xz 000052702.td-b3lyp_6-31g+(d).inp 000052702.td-b3lyp_6-31g+(d).log.xz

000052702.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052702.td-b3lyp_6-31+g(d).gjf (generated)

000052702.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052702.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052702.mol 000052702.PUBCHEM 000052702.mol (via Jmol)
000052733.b3lyp_6-31g(d).inp

000052733.b3lyp_6-31g(d).qchem.inp (generated)

000052733.b3lyp_6-31g(d).gjf (generated)

000052733.b3lyp_6-31g(d).firefly.inp (generated)

000052733.b3lyp_6-31g(d).smash.inp (generated)

000052733.b3lyp_6-31g(d).nwchem.inp (generated) 000052733.b3lyp_6-31g(d).log.xz 000052733.td-b3lyp_6-31g+(d).inp 000052733.td-b3lyp_6-31g+(d).log.xz

000052733.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052733.td-b3lyp_6-31+g(d).gjf (generated)

000052733.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052733.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052733.mol 000052733.PUBCHEM 000052733.mol (via Jmol)
000052754.b3lyp_6-31g(d).inp

000052754.b3lyp_6-31g(d).qchem.inp (generated)

000052754.b3lyp_6-31g(d).gjf (generated)

000052754.b3lyp_6-31g(d).firefly.inp (generated)

000052754.b3lyp_6-31g(d).smash.inp (generated)

000052754.b3lyp_6-31g(d).nwchem.inp (generated) 000052754.b3lyp_6-31g(d).log.xz 000052754.td-b3lyp_6-31g+(d).inp 000052754.td-b3lyp_6-31g+(d).log.xz

000052754.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052754.td-b3lyp_6-31+g(d).gjf (generated)

000052754.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052754.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052754.mol 000052754.PUBCHEM 000052754.mol (via Jmol)
000052755.b3lyp_6-31g(d).inp

000052755.b3lyp_6-31g(d).qchem.inp (generated)

000052755.b3lyp_6-31g(d).gjf (generated)

000052755.b3lyp_6-31g(d).firefly.inp (generated)

000052755.b3lyp_6-31g(d).smash.inp (generated)

000052755.b3lyp_6-31g(d).nwchem.inp (generated) 000052755.b3lyp_6-31g(d).log.xz 000052755.td-b3lyp_6-31g+(d).inp 000052755.td-b3lyp_6-31g+(d).log.xz

000052755.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052755.td-b3lyp_6-31+g(d).gjf (generated)

000052755.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052755.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052755.mol 000052755.PUBCHEM 000052755.mol (via Jmol)
000052757.b3lyp_6-31g(d).inp

000052757.b3lyp_6-31g(d).qchem.inp (generated)

000052757.b3lyp_6-31g(d).gjf (generated)

000052757.b3lyp_6-31g(d).firefly.inp (generated)

000052757.b3lyp_6-31g(d).smash.inp (generated)

000052757.b3lyp_6-31g(d).nwchem.inp (generated) 000052757.b3lyp_6-31g(d).log.xz 000052757.td-b3lyp_6-31g+(d).inp 000052757.td-b3lyp_6-31g+(d).log.xz

000052757.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052757.td-b3lyp_6-31+g(d).gjf (generated)

000052757.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052757.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052757.mol 000052757.PUBCHEM 000052757.mol (via Jmol)
000052762.b3lyp_6-31g(d).inp

000052762.b3lyp_6-31g(d).qchem.inp (generated)

000052762.b3lyp_6-31g(d).gjf (generated)

000052762.b3lyp_6-31g(d).firefly.inp (generated)

000052762.b3lyp_6-31g(d).smash.inp (generated)

000052762.b3lyp_6-31g(d).nwchem.inp (generated) 000052762.b3lyp_6-31g(d).log.xz 000052762.td-b3lyp_6-31g+(d).inp 000052762.td-b3lyp_6-31g+(d).log.xz

000052762.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052762.td-b3lyp_6-31+g(d).gjf (generated)

000052762.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052762.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052762.mol 000052762.PUBCHEM 000052762.mol (via Jmol)
000052778.b3lyp_6-31g(d).inp

000052778.b3lyp_6-31g(d).qchem.inp (generated)

000052778.b3lyp_6-31g(d).gjf (generated)

000052778.b3lyp_6-31g(d).firefly.inp (generated)

000052778.b3lyp_6-31g(d).smash.inp (generated)

000052778.b3lyp_6-31g(d).nwchem.inp (generated) 000052778.b3lyp_6-31g(d).log.xz 000052778.td-b3lyp_6-31g+(d).inp 000052778.td-b3lyp_6-31g+(d).log.xz

000052778.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052778.td-b3lyp_6-31+g(d).gjf (generated)

000052778.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052778.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052778.mol 000052778.PUBCHEM 000052778.mol (via Jmol)
000052780.b3lyp_6-31g(d).inp

000052780.b3lyp_6-31g(d).qchem.inp (generated)

000052780.b3lyp_6-31g(d).gjf (generated)

000052780.b3lyp_6-31g(d).firefly.inp (generated)

000052780.b3lyp_6-31g(d).smash.inp (generated)

000052780.b3lyp_6-31g(d).nwchem.inp (generated) 000052780.b3lyp_6-31g(d).log.xz 000052780.td-b3lyp_6-31g+(d).inp 000052780.td-b3lyp_6-31g+(d).log.xz

000052780.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052780.td-b3lyp_6-31+g(d).gjf (generated)

000052780.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052780.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052780.mol 000052780.PUBCHEM 000052780.mol (via Jmol)
000052789.b3lyp_6-31g(d).inp

000052789.b3lyp_6-31g(d).qchem.inp (generated)

000052789.b3lyp_6-31g(d).gjf (generated)

000052789.b3lyp_6-31g(d).firefly.inp (generated)

000052789.b3lyp_6-31g(d).smash.inp (generated)

000052789.b3lyp_6-31g(d).nwchem.inp (generated) 000052789.b3lyp_6-31g(d).log.xz 000052789.td-b3lyp_6-31g+(d).inp 000052789.td-b3lyp_6-31g+(d).log.xz

000052789.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052789.td-b3lyp_6-31+g(d).gjf (generated)

000052789.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052789.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052789.mol 000052789.PUBCHEM 000052789.mol (via Jmol)
000052792.b3lyp_6-31g(d).inp

000052792.b3lyp_6-31g(d).qchem.inp (generated)

000052792.b3lyp_6-31g(d).gjf (generated)

000052792.b3lyp_6-31g(d).firefly.inp (generated)

000052792.b3lyp_6-31g(d).smash.inp (generated)

000052792.b3lyp_6-31g(d).nwchem.inp (generated) 000052792.b3lyp_6-31g(d).log.xz 000052792.td-b3lyp_6-31g+(d).inp 000052792.td-b3lyp_6-31g+(d).log.xz

000052792.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052792.td-b3lyp_6-31+g(d).gjf (generated)

000052792.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052792.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052792.mol 000052792.PUBCHEM 000052792.mol (via Jmol)
000052794.b3lyp_6-31g(d).inp

000052794.b3lyp_6-31g(d).qchem.inp (generated)

000052794.b3lyp_6-31g(d).gjf (generated)

000052794.b3lyp_6-31g(d).firefly.inp (generated)

000052794.b3lyp_6-31g(d).smash.inp (generated)

000052794.b3lyp_6-31g(d).nwchem.inp (generated) 000052794.b3lyp_6-31g(d).log.xz 000052794.td-b3lyp_6-31g+(d).inp 000052794.td-b3lyp_6-31g+(d).log.xz

000052794.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052794.td-b3lyp_6-31+g(d).gjf (generated)

000052794.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052794.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052794.mol 000052794.PUBCHEM 000052794.mol (via Jmol)
000052796.b3lyp_6-31g(d).inp

000052796.b3lyp_6-31g(d).qchem.inp (generated)

000052796.b3lyp_6-31g(d).gjf (generated)

000052796.b3lyp_6-31g(d).firefly.inp (generated)

000052796.b3lyp_6-31g(d).smash.inp (generated)

000052796.b3lyp_6-31g(d).nwchem.inp (generated) 000052796.b3lyp_6-31g(d).log.xz 000052796.td-b3lyp_6-31g+(d).inp 000052796.td-b3lyp_6-31g+(d).log.xz

000052796.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052796.td-b3lyp_6-31+g(d).gjf (generated)

000052796.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052796.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052796.mol 000052796.PUBCHEM 000052796.mol (via Jmol)
000052801.b3lyp_6-31g(d).inp

000052801.b3lyp_6-31g(d).qchem.inp (generated)

000052801.b3lyp_6-31g(d).gjf (generated)

000052801.b3lyp_6-31g(d).firefly.inp (generated)

000052801.b3lyp_6-31g(d).smash.inp (generated)

000052801.b3lyp_6-31g(d).nwchem.inp (generated) 000052801.b3lyp_6-31g(d).log.xz 000052801.td-b3lyp_6-31g+(d).inp 000052801.td-b3lyp_6-31g+(d).log.xz

000052801.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052801.td-b3lyp_6-31+g(d).gjf (generated)

000052801.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052801.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052801.mol 000052801.PUBCHEM 000052801.mol (via Jmol)
000052803.b3lyp_6-31g(d).inp

000052803.b3lyp_6-31g(d).qchem.inp (generated)

000052803.b3lyp_6-31g(d).gjf (generated)

000052803.b3lyp_6-31g(d).firefly.inp (generated)

000052803.b3lyp_6-31g(d).smash.inp (generated)

000052803.b3lyp_6-31g(d).nwchem.inp (generated) 000052803.b3lyp_6-31g(d).log.xz 000052803.td-b3lyp_6-31g+(d).inp 000052803.td-b3lyp_6-31g+(d).log.xz

000052803.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052803.td-b3lyp_6-31+g(d).gjf (generated)

000052803.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052803.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052803.mol 000052803.PUBCHEM 000052803.mol (via Jmol)
000052808.b3lyp_6-31g(d).inp

000052808.b3lyp_6-31g(d).qchem.inp (generated)

000052808.b3lyp_6-31g(d).gjf (generated)

000052808.b3lyp_6-31g(d).firefly.inp (generated)

000052808.b3lyp_6-31g(d).smash.inp (generated)

000052808.b3lyp_6-31g(d).nwchem.inp (generated) 000052808.b3lyp_6-31g(d).log.xz 000052808.td-b3lyp_6-31g+(d).inp 000052808.td-b3lyp_6-31g+(d).log.xz

000052808.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052808.td-b3lyp_6-31+g(d).gjf (generated)

000052808.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052808.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052808.mol 000052808.PUBCHEM 000052808.mol (via Jmol)
000052811.b3lyp_6-31g(d).inp

000052811.b3lyp_6-31g(d).qchem.inp (generated)

000052811.b3lyp_6-31g(d).gjf (generated)

000052811.b3lyp_6-31g(d).firefly.inp (generated)

000052811.b3lyp_6-31g(d).smash.inp (generated)

000052811.b3lyp_6-31g(d).nwchem.inp (generated) 000052811.b3lyp_6-31g(d).log.xz 000052811.td-b3lyp_6-31g+(d).inp 000052811.td-b3lyp_6-31g+(d).log.xz

000052811.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052811.td-b3lyp_6-31+g(d).gjf (generated)

000052811.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052811.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052811.mol 000052811.PUBCHEM 000052811.mol (via Jmol)
000052814.b3lyp_6-31g(d).inp

000052814.b3lyp_6-31g(d).qchem.inp (generated)

000052814.b3lyp_6-31g(d).gjf (generated)

000052814.b3lyp_6-31g(d).firefly.inp (generated)

000052814.b3lyp_6-31g(d).smash.inp (generated)

000052814.b3lyp_6-31g(d).nwchem.inp (generated) 000052814.b3lyp_6-31g(d).log.xz 000052814.td-b3lyp_6-31g+(d).inp 000052814.td-b3lyp_6-31g+(d).log.xz

000052814.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052814.td-b3lyp_6-31+g(d).gjf (generated)

000052814.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052814.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052814.mol 000052814.PUBCHEM 000052814.mol (via Jmol)
000052816.b3lyp_6-31g(d).inp

000052816.b3lyp_6-31g(d).qchem.inp (generated)

000052816.b3lyp_6-31g(d).gjf (generated)

000052816.b3lyp_6-31g(d).firefly.inp (generated)

000052816.b3lyp_6-31g(d).smash.inp (generated)

000052816.b3lyp_6-31g(d).nwchem.inp (generated) 000052816.b3lyp_6-31g(d).log.xz 000052816.td-b3lyp_6-31g+(d).inp 000052816.td-b3lyp_6-31g+(d).log.xz

000052816.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052816.td-b3lyp_6-31+g(d).gjf (generated)

000052816.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052816.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052816.mol 000052816.PUBCHEM 000052816.mol (via Jmol)
000052837.b3lyp_6-31g(d).inp

000052837.b3lyp_6-31g(d).qchem.inp (generated)

000052837.b3lyp_6-31g(d).gjf (generated)

000052837.b3lyp_6-31g(d).firefly.inp (generated)

000052837.b3lyp_6-31g(d).smash.inp (generated)

000052837.b3lyp_6-31g(d).nwchem.inp (generated) 000052837.b3lyp_6-31g(d).log.xz 000052837.td-b3lyp_6-31g+(d).inp 000052837.td-b3lyp_6-31g+(d).log.xz

000052837.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052837.td-b3lyp_6-31+g(d).gjf (generated)

000052837.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052837.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052837.mol 000052837.PUBCHEM 000052837.mol (via Jmol)
000052839.b3lyp_6-31g(d).inp

000052839.b3lyp_6-31g(d).qchem.inp (generated)

000052839.b3lyp_6-31g(d).gjf (generated)

000052839.b3lyp_6-31g(d).firefly.inp (generated)

000052839.b3lyp_6-31g(d).smash.inp (generated)

000052839.b3lyp_6-31g(d).nwchem.inp (generated) 000052839.b3lyp_6-31g(d).log.xz 000052839.td-b3lyp_6-31g+(d).inp 000052839.td-b3lyp_6-31g+(d).log.xz

000052839.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052839.td-b3lyp_6-31+g(d).gjf (generated)

000052839.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052839.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052839.mol 000052839.PUBCHEM 000052839.mol (via Jmol)
000052841.b3lyp_6-31g(d).inp

000052841.b3lyp_6-31g(d).qchem.inp (generated)

000052841.b3lyp_6-31g(d).gjf (generated)

000052841.b3lyp_6-31g(d).firefly.inp (generated)

000052841.b3lyp_6-31g(d).smash.inp (generated)

000052841.b3lyp_6-31g(d).nwchem.inp (generated) 000052841.b3lyp_6-31g(d).log.xz 000052841.td-b3lyp_6-31g+(d).inp 000052841.td-b3lyp_6-31g+(d).log.xz

000052841.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052841.td-b3lyp_6-31+g(d).gjf (generated)

000052841.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052841.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052841.mol 000052841.PUBCHEM 000052841.mol (via Jmol)
000052848.b3lyp_6-31g(d).inp

000052848.b3lyp_6-31g(d).qchem.inp (generated)

000052848.b3lyp_6-31g(d).gjf (generated)

000052848.b3lyp_6-31g(d).firefly.inp (generated)

000052848.b3lyp_6-31g(d).smash.inp (generated)

000052848.b3lyp_6-31g(d).nwchem.inp (generated) 000052848.b3lyp_6-31g(d).log.xz 000052848.td-b3lyp_6-31g+(d).inp 000052848.td-b3lyp_6-31g+(d).log.xz

000052848.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052848.td-b3lyp_6-31+g(d).gjf (generated)

000052848.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052848.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052848.mol 000052848.PUBCHEM 000052848.mol (via Jmol)
000052855.b3lyp_6-31g(d).inp

000052855.b3lyp_6-31g(d).qchem.inp (generated)

000052855.b3lyp_6-31g(d).gjf (generated)

000052855.b3lyp_6-31g(d).firefly.inp (generated)

000052855.b3lyp_6-31g(d).smash.inp (generated)

000052855.b3lyp_6-31g(d).nwchem.inp (generated) 000052855.b3lyp_6-31g(d).log.xz 000052855.td-b3lyp_6-31g+(d).inp 000052855.td-b3lyp_6-31g+(d).log.xz

000052855.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052855.td-b3lyp_6-31+g(d).gjf (generated)

000052855.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052855.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052855.mol 000052855.PUBCHEM 000052855.mol (via Jmol)
000052856.b3lyp_6-31g(d).inp

000052856.b3lyp_6-31g(d).qchem.inp (generated)

000052856.b3lyp_6-31g(d).gjf (generated)

000052856.b3lyp_6-31g(d).firefly.inp (generated)

000052856.b3lyp_6-31g(d).smash.inp (generated)

000052856.b3lyp_6-31g(d).nwchem.inp (generated) 000052856.b3lyp_6-31g(d).log.xz 000052856.td-b3lyp_6-31g+(d).inp 000052856.td-b3lyp_6-31g+(d).log.xz

000052856.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052856.td-b3lyp_6-31+g(d).gjf (generated)

000052856.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052856.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052856.mol 000052856.PUBCHEM 000052856.mol (via Jmol)
000052862.b3lyp_6-31g(d).inp

000052862.b3lyp_6-31g(d).qchem.inp (generated)

000052862.b3lyp_6-31g(d).gjf (generated)

000052862.b3lyp_6-31g(d).firefly.inp (generated)

000052862.b3lyp_6-31g(d).smash.inp (generated)

000052862.b3lyp_6-31g(d).nwchem.inp (generated) 000052862.b3lyp_6-31g(d).log.xz 000052862.td-b3lyp_6-31g+(d).inp 000052862.td-b3lyp_6-31g+(d).log.xz

000052862.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052862.td-b3lyp_6-31+g(d).gjf (generated)

000052862.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052862.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052862.mol 000052862.PUBCHEM 000052862.mol (via Jmol)
000052864.b3lyp_6-31g(d).inp

000052864.b3lyp_6-31g(d).qchem.inp (generated)

000052864.b3lyp_6-31g(d).gjf (generated)

000052864.b3lyp_6-31g(d).firefly.inp (generated)

000052864.b3lyp_6-31g(d).smash.inp (generated)

000052864.b3lyp_6-31g(d).nwchem.inp (generated) 000052864.b3lyp_6-31g(d).log.xz 000052864.td-b3lyp_6-31g+(d).inp 000052864.td-b3lyp_6-31g+(d).log.xz

000052864.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052864.td-b3lyp_6-31+g(d).gjf (generated)

000052864.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052864.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052864.mol 000052864.PUBCHEM 000052864.mol (via Jmol)
000052866.b3lyp_6-31g(d).inp

000052866.b3lyp_6-31g(d).qchem.inp (generated)

000052866.b3lyp_6-31g(d).gjf (generated)

000052866.b3lyp_6-31g(d).firefly.inp (generated)

000052866.b3lyp_6-31g(d).smash.inp (generated)

000052866.b3lyp_6-31g(d).nwchem.inp (generated) 000052866.b3lyp_6-31g(d).log.xz 000052866.td-b3lyp_6-31g+(d).inp 000052866.td-b3lyp_6-31g+(d).log.xz

000052866.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052866.td-b3lyp_6-31+g(d).gjf (generated)

000052866.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052866.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052866.mol 000052866.PUBCHEM 000052866.mol (via Jmol)
000052896.b3lyp_6-31g(d).inp

000052896.b3lyp_6-31g(d).qchem.inp (generated)

000052896.b3lyp_6-31g(d).gjf (generated)

000052896.b3lyp_6-31g(d).firefly.inp (generated)

000052896.b3lyp_6-31g(d).smash.inp (generated)

000052896.b3lyp_6-31g(d).nwchem.inp (generated) 000052896.b3lyp_6-31g(d).log.xz 000052896.td-b3lyp_6-31g+(d).inp 000052896.td-b3lyp_6-31g+(d).log.xz

000052896.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052896.td-b3lyp_6-31+g(d).gjf (generated)

000052896.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052896.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052896.mol 000052896.PUBCHEM 000052896.mol (via Jmol)
000052897.b3lyp_6-31g(d).inp

000052897.b3lyp_6-31g(d).qchem.inp (generated)

000052897.b3lyp_6-31g(d).gjf (generated)

000052897.b3lyp_6-31g(d).firefly.inp (generated)

000052897.b3lyp_6-31g(d).smash.inp (generated)

000052897.b3lyp_6-31g(d).nwchem.inp (generated) 000052897.b3lyp_6-31g(d).log.xz 000052897.td-b3lyp_6-31g+(d).inp 000052897.td-b3lyp_6-31g+(d).log.xz

000052897.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052897.td-b3lyp_6-31+g(d).gjf (generated)

000052897.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052897.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052897.mol 000052897.PUBCHEM 000052897.mol (via Jmol)
000052899.b3lyp_6-31g(d).inp

000052899.b3lyp_6-31g(d).qchem.inp (generated)

000052899.b3lyp_6-31g(d).gjf (generated)

000052899.b3lyp_6-31g(d).firefly.inp (generated)

000052899.b3lyp_6-31g(d).smash.inp (generated)

000052899.b3lyp_6-31g(d).nwchem.inp (generated) 000052899.b3lyp_6-31g(d).log.xz 000052899.td-b3lyp_6-31g+(d).inp 000052899.td-b3lyp_6-31g+(d).log.xz

000052899.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052899.td-b3lyp_6-31+g(d).gjf (generated)

000052899.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052899.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052899.mol 000052899.PUBCHEM 000052899.mol (via Jmol)
000052906.b3lyp_6-31g(d).inp

000052906.b3lyp_6-31g(d).qchem.inp (generated)

000052906.b3lyp_6-31g(d).gjf (generated)

000052906.b3lyp_6-31g(d).firefly.inp (generated)

000052906.b3lyp_6-31g(d).smash.inp (generated)

000052906.b3lyp_6-31g(d).nwchem.inp (generated) 000052906.b3lyp_6-31g(d).log.xz 000052906.td-b3lyp_6-31g+(d).inp 000052906.td-b3lyp_6-31g+(d).log.xz

000052906.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052906.td-b3lyp_6-31+g(d).gjf (generated)

000052906.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052906.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052906.mol 000052906.PUBCHEM 000052906.mol (via Jmol)
000052913.b3lyp_6-31g(d).inp

000052913.b3lyp_6-31g(d).qchem.inp (generated)

000052913.b3lyp_6-31g(d).gjf (generated)

000052913.b3lyp_6-31g(d).firefly.inp (generated)

000052913.b3lyp_6-31g(d).smash.inp (generated)

000052913.b3lyp_6-31g(d).nwchem.inp (generated) 000052913.b3lyp_6-31g(d).log.xz 000052913.td-b3lyp_6-31g+(d).inp 000052913.td-b3lyp_6-31g+(d).log.xz

000052913.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052913.td-b3lyp_6-31+g(d).gjf (generated)

000052913.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052913.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052913.mol 000052913.PUBCHEM 000052913.mol (via Jmol)
000052943.b3lyp_6-31g(d).inp

000052943.b3lyp_6-31g(d).qchem.inp (generated)

000052943.b3lyp_6-31g(d).gjf (generated)

000052943.b3lyp_6-31g(d).firefly.inp (generated)

000052943.b3lyp_6-31g(d).smash.inp (generated)

000052943.b3lyp_6-31g(d).nwchem.inp (generated) 000052943.b3lyp_6-31g(d).log.xz 000052943.td-b3lyp_6-31g+(d).inp 000052943.td-b3lyp_6-31g+(d).log.xz

000052943.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052943.td-b3lyp_6-31+g(d).gjf (generated)

000052943.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052943.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052943.mol 000052943.PUBCHEM 000052943.mol (via Jmol)
000052961.b3lyp_6-31g(d).inp

000052961.b3lyp_6-31g(d).qchem.inp (generated)

000052961.b3lyp_6-31g(d).gjf (generated)

000052961.b3lyp_6-31g(d).firefly.inp (generated)

000052961.b3lyp_6-31g(d).smash.inp (generated)

000052961.b3lyp_6-31g(d).nwchem.inp (generated) 000052961.b3lyp_6-31g(d).log.xz 000052961.td-b3lyp_6-31g+(d).inp 000052961.td-b3lyp_6-31g+(d).log.xz

000052961.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052961.td-b3lyp_6-31+g(d).gjf (generated)

000052961.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052961.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052961.mol 000052961.PUBCHEM 000052961.mol (via Jmol)
000052971.b3lyp_6-31g(d).inp

000052971.b3lyp_6-31g(d).qchem.inp (generated)

000052971.b3lyp_6-31g(d).gjf (generated)

000052971.b3lyp_6-31g(d).firefly.inp (generated)

000052971.b3lyp_6-31g(d).smash.inp (generated)

000052971.b3lyp_6-31g(d).nwchem.inp (generated) 000052971.b3lyp_6-31g(d).log.xz 000052971.td-b3lyp_6-31g+(d).inp 000052971.td-b3lyp_6-31g+(d).log.xz

000052971.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052971.td-b3lyp_6-31+g(d).gjf (generated)

000052971.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052971.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052971.mol 000052971.PUBCHEM 000052971.mol (via Jmol)
000052973.b3lyp_6-31g(d).inp

000052973.b3lyp_6-31g(d).qchem.inp (generated)

000052973.b3lyp_6-31g(d).gjf (generated)

000052973.b3lyp_6-31g(d).firefly.inp (generated)

000052973.b3lyp_6-31g(d).smash.inp (generated)

000052973.b3lyp_6-31g(d).nwchem.inp (generated) 000052973.b3lyp_6-31g(d).log.xz 000052973.td-b3lyp_6-31g+(d).inp 000052973.td-b3lyp_6-31g+(d).log.xz

000052973.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052973.td-b3lyp_6-31+g(d).gjf (generated)

000052973.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052973.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052973.mol 000052973.PUBCHEM 000052973.mol (via Jmol)
000052976.b3lyp_6-31g(d).inp

000052976.b3lyp_6-31g(d).qchem.inp (generated)

000052976.b3lyp_6-31g(d).gjf (generated)

000052976.b3lyp_6-31g(d).firefly.inp (generated)

000052976.b3lyp_6-31g(d).smash.inp (generated)

000052976.b3lyp_6-31g(d).nwchem.inp (generated) 000052976.b3lyp_6-31g(d).log.xz 000052976.td-b3lyp_6-31g+(d).inp 000052976.td-b3lyp_6-31g+(d).log.xz

000052976.td-b3lyp_6-31+g(d).qchem.inp (generated)

000052976.td-b3lyp_6-31+g(d).gjf (generated)

000052976.td-b3lyp_6-31+g(d).firefly.inp (generated)

000052976.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000052976.mol 000052976.PUBCHEM 000052976.mol (via Jmol)
000053001.b3lyp_6-31g(d).inp

000053001.b3lyp_6-31g(d).qchem.inp (generated)

000053001.b3lyp_6-31g(d).gjf (generated)

000053001.b3lyp_6-31g(d).firefly.inp (generated)

000053001.b3lyp_6-31g(d).smash.inp (generated)

000053001.b3lyp_6-31g(d).nwchem.inp (generated) 000053001.b3lyp_6-31g(d).log.xz 000053001.td-b3lyp_6-31g+(d).inp 000053001.td-b3lyp_6-31g+(d).log.xz

000053001.td-b3lyp_6-31+g(d).qchem.inp (generated)

000053001.td-b3lyp_6-31+g(d).gjf (generated)

000053001.td-b3lyp_6-31+g(d).firefly.inp (generated)

000053001.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000053001.mol 000053001.PUBCHEM 000053001.mol (via Jmol)
000053027.b3lyp_6-31g(d).inp

000053027.b3lyp_6-31g(d).qchem.inp (generated)

000053027.b3lyp_6-31g(d).gjf (generated)

000053027.b3lyp_6-31g(d).firefly.inp (generated)

000053027.b3lyp_6-31g(d).smash.inp (generated)

000053027.b3lyp_6-31g(d).nwchem.inp (generated) 000053027.b3lyp_6-31g(d).log.xz 000053027.td-b3lyp_6-31g+(d).inp 000053027.td-b3lyp_6-31g+(d).log.xz

000053027.td-b3lyp_6-31+g(d).qchem.inp (generated)

000053027.td-b3lyp_6-31+g(d).gjf (generated)

000053027.td-b3lyp_6-31+g(d).firefly.inp (generated)

000053027.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000053027.mol 000053027.PUBCHEM 000053027.mol (via Jmol)
000053042.b3lyp_6-31g(d).inp

000053042.b3lyp_6-31g(d).qchem.inp (generated)

000053042.b3lyp_6-31g(d).gjf (generated)

000053042.b3lyp_6-31g(d).firefly.inp (generated)

000053042.b3lyp_6-31g(d).smash.inp (generated)

000053042.b3lyp_6-31g(d).nwchem.inp (generated) 000053042.b3lyp_6-31g(d).log.xz 000053042.td-b3lyp_6-31g+(d).inp 000053042.td-b3lyp_6-31g+(d).log.xz

000053042.td-b3lyp_6-31+g(d).qchem.inp (generated)

000053042.td-b3lyp_6-31+g(d).gjf (generated)

000053042.td-b3lyp_6-31+g(d).firefly.inp (generated)

000053042.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000053042.mol 000053042.PUBCHEM 000053042.mol (via Jmol)
000053044.b3lyp_6-31g(d).inp

000053044.b3lyp_6-31g(d).qchem.inp (generated)

000053044.b3lyp_6-31g(d).gjf (generated)

000053044.b3lyp_6-31g(d).firefly.inp (generated)

000053044.b3lyp_6-31g(d).smash.inp (generated)

000053044.b3lyp_6-31g(d).nwchem.inp (generated) 000053044.b3lyp_6-31g(d).log.xz 000053044.td-b3lyp_6-31g+(d).inp 000053044.td-b3lyp_6-31g+(d).log.xz

000053044.td-b3lyp_6-31+g(d).qchem.inp (generated)

000053044.td-b3lyp_6-31+g(d).gjf (generated)

000053044.td-b3lyp_6-31+g(d).firefly.inp (generated)

000053044.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000053044.mol 000053044.PUBCHEM 000053044.mol (via Jmol)
000053080.b3lyp_6-31g(d).inp

000053080.b3lyp_6-31g(d).qchem.inp (generated)

000053080.b3lyp_6-31g(d).gjf (generated)

000053080.b3lyp_6-31g(d).firefly.inp (generated)

000053080.b3lyp_6-31g(d).smash.inp (generated)

000053080.b3lyp_6-31g(d).nwchem.inp (generated) 000053080.b3lyp_6-31g(d).log.xz 000053080.td-b3lyp_6-31g+(d).inp 000053080.td-b3lyp_6-31g+(d).log.xz

000053080.td-b3lyp_6-31+g(d).qchem.inp (generated)

000053080.td-b3lyp_6-31+g(d).gjf (generated)

000053080.td-b3lyp_6-31+g(d).firefly.inp (generated)

000053080.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000053080.mol 000053080.PUBCHEM 000053080.mol (via Jmol)
000053083.b3lyp_6-31g(d).inp

000053083.b3lyp_6-31g(d).qchem.inp (generated)

000053083.b3lyp_6-31g(d).gjf (generated)

000053083.b3lyp_6-31g(d).firefly.inp (generated)

000053083.b3lyp_6-31g(d).smash.inp (generated)

000053083.b3lyp_6-31g(d).nwchem.inp (generated) 000053083.b3lyp_6-31g(d).log.xz 000053083.td-b3lyp_6-31g+(d).inp 000053083.td-b3lyp_6-31g+(d).log.xz

000053083.td-b3lyp_6-31+g(d).qchem.inp (generated)

000053083.td-b3lyp_6-31+g(d).gjf (generated)

000053083.td-b3lyp_6-31+g(d).firefly.inp (generated)

000053083.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000053083.mol 000053083.PUBCHEM 000053083.mol (via Jmol)
000053124.b3lyp_6-31g(d).inp

000053124.b3lyp_6-31g(d).qchem.inp (generated)

000053124.b3lyp_6-31g(d).gjf (generated)

000053124.b3lyp_6-31g(d).firefly.inp (generated)

000053124.b3lyp_6-31g(d).smash.inp (generated)

000053124.b3lyp_6-31g(d).nwchem.inp (generated) 000053124.b3lyp_6-31g(d).log.xz 000053124.td-b3lyp_6-31g+(d).inp 000053124.td-b3lyp_6-31g+(d).log.xz

000053124.td-b3lyp_6-31+g(d).qchem.inp (generated)

000053124.td-b3lyp_6-31+g(d).gjf (generated)

000053124.td-b3lyp_6-31+g(d).firefly.inp (generated)

000053124.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000053124.mol 000053124.PUBCHEM 000053124.mol (via Jmol)
000053137.b3lyp_6-31g(d).inp

000053137.b3lyp_6-31g(d).qchem.inp (generated)

000053137.b3lyp_6-31g(d).gjf (generated)

000053137.b3lyp_6-31g(d).firefly.inp (generated)

000053137.b3lyp_6-31g(d).smash.inp (generated)

000053137.b3lyp_6-31g(d).nwchem.inp (generated) 000053137.b3lyp_6-31g(d).log.xz 000053137.td-b3lyp_6-31g+(d).inp 000053137.td-b3lyp_6-31g+(d).log.xz

000053137.td-b3lyp_6-31+g(d).qchem.inp (generated)

000053137.td-b3lyp_6-31+g(d).gjf (generated)

000053137.td-b3lyp_6-31+g(d).firefly.inp (generated)

000053137.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000053137.mol 000053137.PUBCHEM 000053137.mol (via Jmol)
000053139.b3lyp_6-31g(d).inp

000053139.b3lyp_6-31g(d).qchem.inp (generated)

000053139.b3lyp_6-31g(d).gjf (generated)

000053139.b3lyp_6-31g(d).firefly.inp (generated)

000053139.b3lyp_6-31g(d).smash.inp (generated)

000053139.b3lyp_6-31g(d).nwchem.inp (generated) 000053139.b3lyp_6-31g(d).log.xz 000053139.td-b3lyp_6-31g+(d).inp 000053139.td-b3lyp_6-31g+(d).log.xz

000053139.td-b3lyp_6-31+g(d).qchem.inp (generated)

000053139.td-b3lyp_6-31+g(d).gjf (generated)

000053139.td-b3lyp_6-31+g(d).firefly.inp (generated)

000053139.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000053139.mol 000053139.PUBCHEM 000053139.mol (via Jmol)