Index of

Last updated : Thu Jun 22 02:29:55 JST 2017
Total : 3248 (3042) in this page
000625059.b3lyp_6-31g(d).inp

000625059.b3lyp_6-31g(d).qchem.inp (generated)

000625059.b3lyp_6-31g(d).gjf (generated)

000625059.b3lyp_6-31g(d).firefly.inp (generated)

000625059.b3lyp_6-31g(d).smash.inp (generated)

000625059.b3lyp_6-31g(d).nwchem.inp (generated) 000625059.b3lyp_6-31g(d).log.xz 000625059.td-b3lyp_6-31g+(d).inp 000625059.td-b3lyp_6-31g+(d).log.xz

000625059.td-b3lyp_6-31+g(d).qchem.inp (generated)

000625059.td-b3lyp_6-31+g(d).gjf (generated)

000625059.td-b3lyp_6-31+g(d).firefly.inp (generated)

000625059.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000625059.mol 000625059.PUBCHEM 000625059.mol (via Jmol)
000627934.b3lyp_6-31g(d).inp

000627934.b3lyp_6-31g(d).qchem.inp (generated)

000627934.b3lyp_6-31g(d).gjf (generated)

000627934.b3lyp_6-31g(d).firefly.inp (generated)

000627934.b3lyp_6-31g(d).smash.inp (generated)

000627934.b3lyp_6-31g(d).nwchem.inp (generated) 000627934.b3lyp_6-31g(d).log.xz 000627934.td-b3lyp_6-31g+(d).inp 000627934.td-b3lyp_6-31g+(d).log.xz

000627934.td-b3lyp_6-31+g(d).qchem.inp (generated)

000627934.td-b3lyp_6-31+g(d).gjf (generated)

000627934.td-b3lyp_6-31+g(d).firefly.inp (generated)

000627934.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000627934.mol 000627934.PUBCHEM 000627934.mol (via Jmol)
000628484.b3lyp_6-31g(d).inp

000628484.b3lyp_6-31g(d).qchem.inp (generated)

000628484.b3lyp_6-31g(d).gjf (generated)

000628484.b3lyp_6-31g(d).firefly.inp (generated)

000628484.b3lyp_6-31g(d).smash.inp (generated)

000628484.b3lyp_6-31g(d).nwchem.inp (generated) 000628484.b3lyp_6-31g(d).log.xz 000628484.td-b3lyp_6-31g+(d).inp 000628484.td-b3lyp_6-31g+(d).log.xz

000628484.td-b3lyp_6-31+g(d).qchem.inp (generated)

000628484.td-b3lyp_6-31+g(d).gjf (generated)

000628484.td-b3lyp_6-31+g(d).firefly.inp (generated)

000628484.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000628484.mol 000628484.PUBCHEM 000628484.mol (via Jmol)
000628533.b3lyp_6-31g(d).inp

000628533.b3lyp_6-31g(d).qchem.inp (generated)

000628533.b3lyp_6-31g(d).gjf (generated)

000628533.b3lyp_6-31g(d).firefly.inp (generated)

000628533.b3lyp_6-31g(d).smash.inp (generated)

000628533.b3lyp_6-31g(d).nwchem.inp (generated) 000628533.b3lyp_6-31g(d).log.xz 000628533.td-b3lyp_6-31g+(d).inp 000628533.td-b3lyp_6-31g+(d).log.xz

000628533.td-b3lyp_6-31+g(d).qchem.inp (generated)

000628533.td-b3lyp_6-31+g(d).gjf (generated)

000628533.td-b3lyp_6-31+g(d).firefly.inp (generated)

000628533.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000628533.mol 000628533.PUBCHEM 000628533.mol (via Jmol)
000629419.b3lyp_6-31g(d).inp

000629419.b3lyp_6-31g(d).qchem.inp (generated)

000629419.b3lyp_6-31g(d).gjf (generated)

000629419.b3lyp_6-31g(d).firefly.inp (generated)

000629419.b3lyp_6-31g(d).smash.inp (generated)

000629419.b3lyp_6-31g(d).nwchem.inp (generated) 000629419.b3lyp_6-31g(d).log.xz 000629419.td-b3lyp_6-31g+(d).inp 000629419.td-b3lyp_6-31g+(d).log.xz

000629419.td-b3lyp_6-31+g(d).qchem.inp (generated)

000629419.td-b3lyp_6-31+g(d).gjf (generated)

000629419.td-b3lyp_6-31+g(d).firefly.inp (generated)

000629419.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000629419.mol 000629419.PUBCHEM 000629419.mol (via Jmol)
000629880.b3lyp_6-31g(d).inp

000629880.b3lyp_6-31g(d).qchem.inp (generated)

000629880.b3lyp_6-31g(d).gjf (generated)

000629880.b3lyp_6-31g(d).firefly.inp (generated)

000629880.b3lyp_6-31g(d).smash.inp (generated)

000629880.b3lyp_6-31g(d).nwchem.inp (generated) 000629880.b3lyp_6-31g(d).log.xz 000629880.td-b3lyp_6-31g+(d).inp 000629880.td-b3lyp_6-31g+(d).log.xz

000629880.td-b3lyp_6-31+g(d).qchem.inp (generated)

000629880.td-b3lyp_6-31+g(d).gjf (generated)

000629880.td-b3lyp_6-31+g(d).firefly.inp (generated)

000629880.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000629880.mol 000629880.PUBCHEM 000629880.mol (via Jmol)
000630286.b3lyp_6-31g(d).inp

000630286.b3lyp_6-31g(d).qchem.inp (generated)

000630286.b3lyp_6-31g(d).gjf (generated)

000630286.b3lyp_6-31g(d).firefly.inp (generated)

000630286.b3lyp_6-31g(d).smash.inp (generated)

000630286.b3lyp_6-31g(d).nwchem.inp (generated) 000630286.b3lyp_6-31g(d).log.xz 000630286.td-b3lyp_6-31g+(d).inp 000630286.td-b3lyp_6-31g+(d).log.xz

000630286.td-b3lyp_6-31+g(d).qchem.inp (generated)

000630286.td-b3lyp_6-31+g(d).gjf (generated)

000630286.td-b3lyp_6-31+g(d).firefly.inp (generated)

000630286.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000630286.mol 000630286.PUBCHEM 000630286.mol (via Jmol)
000631297.b3lyp_6-31g(d).inp

000631297.b3lyp_6-31g(d).qchem.inp (generated)

000631297.b3lyp_6-31g(d).gjf (generated)

000631297.b3lyp_6-31g(d).firefly.inp (generated)

000631297.b3lyp_6-31g(d).smash.inp (generated)

000631297.b3lyp_6-31g(d).nwchem.inp (generated) 000631297.b3lyp_6-31g(d).log.xz 000631297.td-b3lyp_6-31g+(d).inp 000631297.td-b3lyp_6-31g+(d).log.xz

000631297.td-b3lyp_6-31+g(d).qchem.inp (generated)

000631297.td-b3lyp_6-31+g(d).gjf (generated)

000631297.td-b3lyp_6-31+g(d).firefly.inp (generated)

000631297.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000631297.mol 000631297.PUBCHEM 000631297.mol (via Jmol)
000631804.b3lyp_6-31g(d).inp

000631804.b3lyp_6-31g(d).qchem.inp (generated)

000631804.b3lyp_6-31g(d).gjf (generated)

000631804.b3lyp_6-31g(d).firefly.inp (generated)

000631804.b3lyp_6-31g(d).smash.inp (generated)

000631804.b3lyp_6-31g(d).nwchem.inp (generated) 000631804.b3lyp_6-31g(d).log.xz 000631804.td-b3lyp_6-31g+(d).inp 000631804.td-b3lyp_6-31g+(d).log.xz

000631804.td-b3lyp_6-31+g(d).qchem.inp (generated)

000631804.td-b3lyp_6-31+g(d).gjf (generated)

000631804.td-b3lyp_6-31+g(d).firefly.inp (generated)

000631804.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000631804.mol 000631804.PUBCHEM 000631804.mol (via Jmol)
000631927.b3lyp_6-31g(d).inp

000631927.b3lyp_6-31g(d).qchem.inp (generated)

000631927.b3lyp_6-31g(d).gjf (generated)

000631927.b3lyp_6-31g(d).firefly.inp (generated)

000631927.b3lyp_6-31g(d).smash.inp (generated)

000631927.b3lyp_6-31g(d).nwchem.inp (generated) 000631927.b3lyp_6-31g(d).log.xz 000631927.td-b3lyp_6-31g+(d).inp 000631927.td-b3lyp_6-31g+(d).log.xz

000631927.td-b3lyp_6-31+g(d).qchem.inp (generated)

000631927.td-b3lyp_6-31+g(d).gjf (generated)

000631927.td-b3lyp_6-31+g(d).firefly.inp (generated)

000631927.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000631927.mol 000631927.PUBCHEM 000631927.mol (via Jmol)
000631973.b3lyp_6-31g(d).inp

000631973.b3lyp_6-31g(d).qchem.inp (generated)

000631973.b3lyp_6-31g(d).gjf (generated)

000631973.b3lyp_6-31g(d).firefly.inp (generated)

000631973.b3lyp_6-31g(d).smash.inp (generated)

000631973.b3lyp_6-31g(d).nwchem.inp (generated) 000631973.b3lyp_6-31g(d).log.xz 000631973.td-b3lyp_6-31g+(d).inp 000631973.td-b3lyp_6-31g+(d).log.xz

000631973.td-b3lyp_6-31+g(d).qchem.inp (generated)

000631973.td-b3lyp_6-31+g(d).gjf (generated)

000631973.td-b3lyp_6-31+g(d).firefly.inp (generated)

000631973.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000631973.mol 000631973.PUBCHEM 000631973.mol (via Jmol)
000633136.b3lyp_6-31g(d).inp

000633136.b3lyp_6-31g(d).qchem.inp (generated)

000633136.b3lyp_6-31g(d).gjf (generated)

000633136.b3lyp_6-31g(d).firefly.inp (generated)

000633136.b3lyp_6-31g(d).smash.inp (generated)

000633136.b3lyp_6-31g(d).nwchem.inp (generated) 000633136.b3lyp_6-31g(d).log.xz 000633136.td-b3lyp_6-31g+(d).inp 000633136.td-b3lyp_6-31g+(d).log.xz

000633136.td-b3lyp_6-31+g(d).qchem.inp (generated)

000633136.td-b3lyp_6-31+g(d).gjf (generated)

000633136.td-b3lyp_6-31+g(d).firefly.inp (generated)

000633136.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000633136.mol 000633136.PUBCHEM 000633136.mol (via Jmol)
000633714.b3lyp_6-31g(d).inp

000633714.b3lyp_6-31g(d).qchem.inp (generated)

000633714.b3lyp_6-31g(d).gjf (generated)

000633714.b3lyp_6-31g(d).firefly.inp (generated)

000633714.b3lyp_6-31g(d).smash.inp (generated)

000633714.b3lyp_6-31g(d).nwchem.inp (generated) 000633714.b3lyp_6-31g(d).log.xz 000633714.td-b3lyp_6-31g+(d).inp 000633714.td-b3lyp_6-31g+(d).log.xz

000633714.td-b3lyp_6-31+g(d).qchem.inp (generated)

000633714.td-b3lyp_6-31+g(d).gjf (generated)

000633714.td-b3lyp_6-31+g(d).firefly.inp (generated)

000633714.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000633714.mol 000633714.PUBCHEM 000633714.mol (via Jmol)
000633747.b3lyp_6-31g(d).inp

000633747.b3lyp_6-31g(d).qchem.inp (generated)

000633747.b3lyp_6-31g(d).gjf (generated)

000633747.b3lyp_6-31g(d).firefly.inp (generated)

000633747.b3lyp_6-31g(d).smash.inp (generated)

000633747.b3lyp_6-31g(d).nwchem.inp (generated) 000633747.b3lyp_6-31g(d).log.xz 000633747.td-b3lyp_6-31g+(d).inp 000633747.td-b3lyp_6-31g+(d).log.xz

000633747.td-b3lyp_6-31+g(d).qchem.inp (generated)

000633747.td-b3lyp_6-31+g(d).gjf (generated)

000633747.td-b3lyp_6-31+g(d).firefly.inp (generated)

000633747.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000633747.mol 000633747.PUBCHEM 000633747.mol (via Jmol)
000634518.b3lyp_6-31g(d).inp

000634518.b3lyp_6-31g(d).qchem.inp (generated)

000634518.b3lyp_6-31g(d).gjf (generated)

000634518.b3lyp_6-31g(d).firefly.inp (generated)

000634518.b3lyp_6-31g(d).smash.inp (generated)

000634518.b3lyp_6-31g(d).nwchem.inp (generated) 000634518.b3lyp_6-31g(d).log.xz 000634518.td-b3lyp_6-31g+(d).inp 000634518.td-b3lyp_6-31g+(d).log.xz

000634518.td-b3lyp_6-31+g(d).qchem.inp (generated)

000634518.td-b3lyp_6-31+g(d).gjf (generated)

000634518.td-b3lyp_6-31+g(d).firefly.inp (generated)

000634518.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000634518.mol 000634518.PUBCHEM 000634518.mol (via Jmol)
000634596.b3lyp_6-31g(d).inp

000634596.b3lyp_6-31g(d).qchem.inp (generated)

000634596.b3lyp_6-31g(d).gjf (generated)

000634596.b3lyp_6-31g(d).firefly.inp (generated)

000634596.b3lyp_6-31g(d).smash.inp (generated)

000634596.b3lyp_6-31g(d).nwchem.inp (generated) 000634596.b3lyp_6-31g(d).log.xz 000634596.td-b3lyp_6-31g+(d).inp 000634596.td-b3lyp_6-31g+(d).log.xz

000634596.td-b3lyp_6-31+g(d).qchem.inp (generated)

000634596.td-b3lyp_6-31+g(d).gjf (generated)

000634596.td-b3lyp_6-31+g(d).firefly.inp (generated)

000634596.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000634596.mol 000634596.PUBCHEM 000634596.mol (via Jmol)
000634983.b3lyp_6-31g(d).inp

000634983.b3lyp_6-31g(d).qchem.inp (generated)

000634983.b3lyp_6-31g(d).gjf (generated)

000634983.b3lyp_6-31g(d).firefly.inp (generated)

000634983.b3lyp_6-31g(d).smash.inp (generated)

000634983.b3lyp_6-31g(d).nwchem.inp (generated) 000634983.b3lyp_6-31g(d).log.xz 000634983.td-b3lyp_6-31g+(d).inp 000634983.td-b3lyp_6-31g+(d).log.xz

000634983.td-b3lyp_6-31+g(d).qchem.inp (generated)

000634983.td-b3lyp_6-31+g(d).gjf (generated)

000634983.td-b3lyp_6-31+g(d).firefly.inp (generated)

000634983.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000634983.mol 000634983.PUBCHEM 000634983.mol (via Jmol)
000634984.b3lyp_6-31g(d).inp

000634984.b3lyp_6-31g(d).qchem.inp (generated)

000634984.b3lyp_6-31g(d).gjf (generated)

000634984.b3lyp_6-31g(d).firefly.inp (generated)

000634984.b3lyp_6-31g(d).smash.inp (generated)

000634984.b3lyp_6-31g(d).nwchem.inp (generated) 000634984.b3lyp_6-31g(d).log.xz 000634984.td-b3lyp_6-31g+(d).inp 000634984.td-b3lyp_6-31g+(d).log.xz

000634984.td-b3lyp_6-31+g(d).qchem.inp (generated)

000634984.td-b3lyp_6-31+g(d).gjf (generated)

000634984.td-b3lyp_6-31+g(d).firefly.inp (generated)

000634984.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000634984.mol 000634984.PUBCHEM 000634984.mol (via Jmol)
000635030.b3lyp_6-31g(d).inp

000635030.b3lyp_6-31g(d).qchem.inp (generated)

000635030.b3lyp_6-31g(d).gjf (generated)

000635030.b3lyp_6-31g(d).firefly.inp (generated)

000635030.b3lyp_6-31g(d).smash.inp (generated)

000635030.b3lyp_6-31g(d).nwchem.inp (generated) 000635030.b3lyp_6-31g(d).log.xz 000635030.td-b3lyp_6-31g+(d).inp 000635030.td-b3lyp_6-31g+(d).log.xz

000635030.td-b3lyp_6-31+g(d).qchem.inp (generated)

000635030.td-b3lyp_6-31+g(d).gjf (generated)

000635030.td-b3lyp_6-31+g(d).firefly.inp (generated)

000635030.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000635030.mol 000635030.PUBCHEM 000635030.mol (via Jmol)
000635182.b3lyp_6-31g(d).inp

000635182.b3lyp_6-31g(d).qchem.inp (generated)

000635182.b3lyp_6-31g(d).gjf (generated)

000635182.b3lyp_6-31g(d).firefly.inp (generated)

000635182.b3lyp_6-31g(d).smash.inp (generated)

000635182.b3lyp_6-31g(d).nwchem.inp (generated) 000635182.b3lyp_6-31g(d).log.xz 000635182.td-b3lyp_6-31g+(d).inp 000635182.td-b3lyp_6-31g+(d).log.xz

000635182.td-b3lyp_6-31+g(d).qchem.inp (generated)

000635182.td-b3lyp_6-31+g(d).gjf (generated)

000635182.td-b3lyp_6-31+g(d).firefly.inp (generated)

000635182.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000635182.mol 000635182.PUBCHEM 000635182.mol (via Jmol)
000635183.b3lyp_6-31g(d).inp

000635183.b3lyp_6-31g(d).qchem.inp (generated)

000635183.b3lyp_6-31g(d).gjf (generated)

000635183.b3lyp_6-31g(d).firefly.inp (generated)

000635183.b3lyp_6-31g(d).smash.inp (generated)

000635183.b3lyp_6-31g(d).nwchem.inp (generated) 000635183.b3lyp_6-31g(d).log.xz 000635183.td-b3lyp_6-31g+(d).inp 000635183.td-b3lyp_6-31g+(d).log.xz

000635183.td-b3lyp_6-31+g(d).qchem.inp (generated)

000635183.td-b3lyp_6-31+g(d).gjf (generated)

000635183.td-b3lyp_6-31+g(d).firefly.inp (generated)

000635183.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000635183.mol 000635183.PUBCHEM 000635183.mol (via Jmol)
000635468.b3lyp_6-31g(d).inp

000635468.b3lyp_6-31g(d).qchem.inp (generated)

000635468.b3lyp_6-31g(d).gjf (generated)

000635468.b3lyp_6-31g(d).firefly.inp (generated)

000635468.b3lyp_6-31g(d).smash.inp (generated)

000635468.b3lyp_6-31g(d).nwchem.inp (generated) 000635468.b3lyp_6-31g(d).log.xz 000635468.td-b3lyp_6-31g+(d).inp 000635468.td-b3lyp_6-31g+(d).log.xz

000635468.td-b3lyp_6-31+g(d).qchem.inp (generated)

000635468.td-b3lyp_6-31+g(d).gjf (generated)

000635468.td-b3lyp_6-31+g(d).firefly.inp (generated)

000635468.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000635468.mol 000635468.PUBCHEM 000635468.mol (via Jmol)
000635825.b3lyp_6-31g(d).inp

000635825.b3lyp_6-31g(d).qchem.inp (generated)

000635825.b3lyp_6-31g(d).gjf (generated)

000635825.b3lyp_6-31g(d).firefly.inp (generated)

000635825.b3lyp_6-31g(d).smash.inp (generated)

000635825.b3lyp_6-31g(d).nwchem.inp (generated) 000635825.b3lyp_6-31g(d).log.xz 000635825.td-b3lyp_6-31g+(d).inp 000635825.td-b3lyp_6-31g+(d).log.xz

000635825.td-b3lyp_6-31+g(d).qchem.inp (generated)

000635825.td-b3lyp_6-31+g(d).gjf (generated)

000635825.td-b3lyp_6-31+g(d).firefly.inp (generated)

000635825.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000635825.mol 000635825.PUBCHEM 000635825.mol (via Jmol)
000635827.b3lyp_6-31g(d).inp

000635827.b3lyp_6-31g(d).qchem.inp (generated)

000635827.b3lyp_6-31g(d).gjf (generated)

000635827.b3lyp_6-31g(d).firefly.inp (generated)

000635827.b3lyp_6-31g(d).smash.inp (generated)

000635827.b3lyp_6-31g(d).nwchem.inp (generated) 000635827.b3lyp_6-31g(d).log.xz 000635827.td-b3lyp_6-31g+(d).inp 000635827.td-b3lyp_6-31g+(d).log.xz

000635827.td-b3lyp_6-31+g(d).qchem.inp (generated)

000635827.td-b3lyp_6-31+g(d).gjf (generated)

000635827.td-b3lyp_6-31+g(d).firefly.inp (generated)

000635827.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000635827.mol 000635827.PUBCHEM 000635827.mol (via Jmol)
000636035.b3lyp_6-31g(d).inp

000636035.b3lyp_6-31g(d).qchem.inp (generated)

000636035.b3lyp_6-31g(d).gjf (generated)

000636035.b3lyp_6-31g(d).firefly.inp (generated)

000636035.b3lyp_6-31g(d).smash.inp (generated)

000636035.b3lyp_6-31g(d).nwchem.inp (generated) 000636035.b3lyp_6-31g(d).log.xz 000636035.td-b3lyp_6-31g+(d).inp 000636035.td-b3lyp_6-31g+(d).log.xz

000636035.td-b3lyp_6-31+g(d).qchem.inp (generated)

000636035.td-b3lyp_6-31+g(d).gjf (generated)

000636035.td-b3lyp_6-31+g(d).firefly.inp (generated)

000636035.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000636035.mol 000636035.PUBCHEM 000636035.mol (via Jmol)
000636200.b3lyp_6-31g(d).inp

000636200.b3lyp_6-31g(d).qchem.inp (generated)

000636200.b3lyp_6-31g(d).gjf (generated)

000636200.b3lyp_6-31g(d).firefly.inp (generated)

000636200.b3lyp_6-31g(d).smash.inp (generated)

000636200.b3lyp_6-31g(d).nwchem.inp (generated) 000636200.b3lyp_6-31g(d).log.xz 000636200.td-b3lyp_6-31g+(d).inp 000636200.td-b3lyp_6-31g+(d).log.xz

000636200.td-b3lyp_6-31+g(d).qchem.inp (generated)

000636200.td-b3lyp_6-31+g(d).gjf (generated)

000636200.td-b3lyp_6-31+g(d).firefly.inp (generated)

000636200.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000636200.mol 000636200.PUBCHEM 000636200.mol (via Jmol)
000636363.b3lyp_6-31g(d).inp

000636363.b3lyp_6-31g(d).qchem.inp (generated)

000636363.b3lyp_6-31g(d).gjf (generated)

000636363.b3lyp_6-31g(d).firefly.inp (generated)

000636363.b3lyp_6-31g(d).smash.inp (generated)

000636363.b3lyp_6-31g(d).nwchem.inp (generated) 000636363.b3lyp_6-31g(d).log.xz 000636363.td-b3lyp_6-31g+(d).inp 000636363.td-b3lyp_6-31g+(d).log.xz

000636363.td-b3lyp_6-31+g(d).qchem.inp (generated)

000636363.td-b3lyp_6-31+g(d).gjf (generated)

000636363.td-b3lyp_6-31+g(d).firefly.inp (generated)

000636363.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000636363.mol 000636363.PUBCHEM 000636363.mol (via Jmol)
000636367.b3lyp_6-31g(d).inp

000636367.b3lyp_6-31g(d).qchem.inp (generated)

000636367.b3lyp_6-31g(d).gjf (generated)

000636367.b3lyp_6-31g(d).firefly.inp (generated)

000636367.b3lyp_6-31g(d).smash.inp (generated)

000636367.b3lyp_6-31g(d).nwchem.inp (generated) 000636367.b3lyp_6-31g(d).log.xz 000636367.td-b3lyp_6-31g+(d).inp 000636367.td-b3lyp_6-31g+(d).log.xz

000636367.td-b3lyp_6-31+g(d).qchem.inp (generated)

000636367.td-b3lyp_6-31+g(d).gjf (generated)

000636367.td-b3lyp_6-31+g(d).firefly.inp (generated)

000636367.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000636367.mol 000636367.PUBCHEM 000636367.mol (via Jmol)
000636434.b3lyp_6-31g(d).inp

000636434.b3lyp_6-31g(d).qchem.inp (generated)

000636434.b3lyp_6-31g(d).gjf (generated)

000636434.b3lyp_6-31g(d).firefly.inp (generated)

000636434.b3lyp_6-31g(d).smash.inp (generated)

000636434.b3lyp_6-31g(d).nwchem.inp (generated) 000636434.b3lyp_6-31g(d).log.xz 000636434.td-b3lyp_6-31g+(d).inp 000636434.td-b3lyp_6-31g+(d).log.xz

000636434.td-b3lyp_6-31+g(d).qchem.inp (generated)

000636434.td-b3lyp_6-31+g(d).gjf (generated)

000636434.td-b3lyp_6-31+g(d).firefly.inp (generated)

000636434.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000636434.mol 000636434.PUBCHEM 000636434.mol (via Jmol)
000636456.b3lyp_6-31g(d).inp

000636456.b3lyp_6-31g(d).qchem.inp (generated)

000636456.b3lyp_6-31g(d).gjf (generated)

000636456.b3lyp_6-31g(d).firefly.inp (generated)

000636456.b3lyp_6-31g(d).smash.inp (generated)

000636456.b3lyp_6-31g(d).nwchem.inp (generated) 000636456.b3lyp_6-31g(d).log.xz 000636456.td-b3lyp_6-31g+(d).inp 000636456.td-b3lyp_6-31g+(d).log.xz

000636456.td-b3lyp_6-31+g(d).qchem.inp (generated)

000636456.td-b3lyp_6-31+g(d).gjf (generated)

000636456.td-b3lyp_6-31+g(d).firefly.inp (generated)

000636456.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000636456.mol 000636456.PUBCHEM 000636456.mol (via Jmol)
000636458.b3lyp_6-31g(d).inp

000636458.b3lyp_6-31g(d).qchem.inp (generated)

000636458.b3lyp_6-31g(d).gjf (generated)

000636458.b3lyp_6-31g(d).firefly.inp (generated)

000636458.b3lyp_6-31g(d).smash.inp (generated)

000636458.b3lyp_6-31g(d).nwchem.inp (generated) 000636458.b3lyp_6-31g(d).log.xz 000636458.td-b3lyp_6-31g+(d).inp 000636458.td-b3lyp_6-31g+(d).log.xz

000636458.td-b3lyp_6-31+g(d).qchem.inp (generated)

000636458.td-b3lyp_6-31+g(d).gjf (generated)

000636458.td-b3lyp_6-31+g(d).firefly.inp (generated)

000636458.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000636458.mol 000636458.PUBCHEM 000636458.mol (via Jmol)
000636461.b3lyp_6-31g(d).inp

000636461.b3lyp_6-31g(d).qchem.inp (generated)

000636461.b3lyp_6-31g(d).gjf (generated)

000636461.b3lyp_6-31g(d).firefly.inp (generated)

000636461.b3lyp_6-31g(d).smash.inp (generated)

000636461.b3lyp_6-31g(d).nwchem.inp (generated) 000636461.b3lyp_6-31g(d).log.xz 000636461.td-b3lyp_6-31g+(d).inp 000636461.td-b3lyp_6-31g+(d).log.xz

000636461.td-b3lyp_6-31+g(d).qchem.inp (generated)

000636461.td-b3lyp_6-31+g(d).gjf (generated)

000636461.td-b3lyp_6-31+g(d).firefly.inp (generated)

000636461.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000636461.mol 000636461.PUBCHEM 000636461.mol (via Jmol)
000636462.b3lyp_6-31g(d).inp

000636462.b3lyp_6-31g(d).qchem.inp (generated)

000636462.b3lyp_6-31g(d).gjf (generated)

000636462.b3lyp_6-31g(d).firefly.inp (generated)

000636462.b3lyp_6-31g(d).smash.inp (generated)

000636462.b3lyp_6-31g(d).nwchem.inp (generated) 000636462.b3lyp_6-31g(d).log.xz 000636462.mol 000636462.PUBCHEM 000636462.mol (via Jmol)
000636464.b3lyp_6-31g(d).inp

000636464.b3lyp_6-31g(d).qchem.inp (generated)

000636464.b3lyp_6-31g(d).gjf (generated)

000636464.b3lyp_6-31g(d).firefly.inp (generated)

000636464.b3lyp_6-31g(d).smash.inp (generated)

000636464.b3lyp_6-31g(d).nwchem.inp (generated) 000636464.b3lyp_6-31g(d).log.xz 000636464.td-b3lyp_6-31g+(d).inp 000636464.td-b3lyp_6-31g+(d).log.xz

000636464.td-b3lyp_6-31+g(d).qchem.inp (generated)

000636464.td-b3lyp_6-31+g(d).gjf (generated)

000636464.td-b3lyp_6-31+g(d).firefly.inp (generated)

000636464.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000636464.mol 000636464.PUBCHEM 000636464.mol (via Jmol)
000636465.b3lyp_6-31g(d).inp

000636465.b3lyp_6-31g(d).qchem.inp (generated)

000636465.b3lyp_6-31g(d).gjf (generated)

000636465.b3lyp_6-31g(d).firefly.inp (generated)

000636465.b3lyp_6-31g(d).smash.inp (generated)

000636465.b3lyp_6-31g(d).nwchem.inp (generated) 000636465.b3lyp_6-31g(d).log.xz 000636465.td-b3lyp_6-31g+(d).inp 000636465.td-b3lyp_6-31g+(d).log.xz

000636465.td-b3lyp_6-31+g(d).qchem.inp (generated)

000636465.td-b3lyp_6-31+g(d).gjf (generated)

000636465.td-b3lyp_6-31+g(d).firefly.inp (generated)

000636465.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000636465.mol 000636465.PUBCHEM 000636465.mol (via Jmol)
000636466.b3lyp_6-31g(d).inp

000636466.b3lyp_6-31g(d).qchem.inp (generated)

000636466.b3lyp_6-31g(d).gjf (generated)

000636466.b3lyp_6-31g(d).firefly.inp (generated)

000636466.b3lyp_6-31g(d).smash.inp (generated)

000636466.b3lyp_6-31g(d).nwchem.inp (generated) 000636466.b3lyp_6-31g(d).log.xz 000636466.td-b3lyp_6-31g+(d).inp 000636466.td-b3lyp_6-31g+(d).log.xz

000636466.td-b3lyp_6-31+g(d).qchem.inp (generated)

000636466.td-b3lyp_6-31+g(d).gjf (generated)

000636466.td-b3lyp_6-31+g(d).firefly.inp (generated)

000636466.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000636466.mol 000636466.PUBCHEM 000636466.mol (via Jmol)
000636468.b3lyp_6-31g(d).inp

000636468.b3lyp_6-31g(d).qchem.inp (generated)

000636468.b3lyp_6-31g(d).gjf (generated)

000636468.b3lyp_6-31g(d).firefly.inp (generated)

000636468.b3lyp_6-31g(d).smash.inp (generated)

000636468.b3lyp_6-31g(d).nwchem.inp (generated) 000636468.b3lyp_6-31g(d).log.xz 000636468.td-b3lyp_6-31g+(d).inp 000636468.td-b3lyp_6-31g+(d).log.xz

000636468.td-b3lyp_6-31+g(d).qchem.inp (generated)

000636468.td-b3lyp_6-31+g(d).gjf (generated)

000636468.td-b3lyp_6-31+g(d).firefly.inp (generated)

000636468.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000636468.mol 000636468.PUBCHEM 000636468.mol (via Jmol)
000636475.b3lyp_6-31g(d).inp

000636475.b3lyp_6-31g(d).qchem.inp (generated)

000636475.b3lyp_6-31g(d).gjf (generated)

000636475.b3lyp_6-31g(d).firefly.inp (generated)

000636475.b3lyp_6-31g(d).smash.inp (generated)

000636475.b3lyp_6-31g(d).nwchem.inp (generated) 000636475.b3lyp_6-31g(d).log.xz 000636475.td-b3lyp_6-31g+(d).inp 000636475.td-b3lyp_6-31g+(d).log.xz

000636475.td-b3lyp_6-31+g(d).qchem.inp (generated)

000636475.td-b3lyp_6-31+g(d).gjf (generated)

000636475.td-b3lyp_6-31+g(d).firefly.inp (generated)

000636475.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000636475.mol 000636475.PUBCHEM 000636475.mol (via Jmol)
000636483.b3lyp_6-31g(d).inp

000636483.b3lyp_6-31g(d).qchem.inp (generated)

000636483.b3lyp_6-31g(d).gjf (generated)

000636483.b3lyp_6-31g(d).firefly.inp (generated)

000636483.b3lyp_6-31g(d).smash.inp (generated)

000636483.b3lyp_6-31g(d).nwchem.inp (generated) 000636483.b3lyp_6-31g(d).log.xz 000636483.mol 000636483.PUBCHEM 000636483.mol (via Jmol)
000636503.b3lyp_6-31g(d).inp

000636503.b3lyp_6-31g(d).qchem.inp (generated)

000636503.b3lyp_6-31g(d).gjf (generated)

000636503.b3lyp_6-31g(d).firefly.inp (generated)

000636503.b3lyp_6-31g(d).smash.inp (generated)

000636503.b3lyp_6-31g(d).nwchem.inp (generated) 000636503.b3lyp_6-31g(d).log.xz 000636503.mol 000636503.PUBCHEM 000636503.mol (via Jmol)
000636505.b3lyp_6-31g(d).inp

000636505.b3lyp_6-31g(d).qchem.inp (generated)

000636505.b3lyp_6-31g(d).gjf (generated)

000636505.b3lyp_6-31g(d).firefly.inp (generated)

000636505.b3lyp_6-31g(d).smash.inp (generated)

000636505.b3lyp_6-31g(d).nwchem.inp (generated) 000636505.b3lyp_6-31g(d).log.xz 000636505.td-b3lyp_6-31g+(d).inp 000636505.td-b3lyp_6-31g+(d).log.xz

000636505.td-b3lyp_6-31+g(d).qchem.inp (generated)

000636505.td-b3lyp_6-31+g(d).gjf (generated)

000636505.td-b3lyp_6-31+g(d).firefly.inp (generated)

000636505.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000636505.mol 000636505.PUBCHEM 000636505.mol (via Jmol)
000636514.b3lyp_6-31g(d).inp

000636514.b3lyp_6-31g(d).qchem.inp (generated)

000636514.b3lyp_6-31g(d).gjf (generated)

000636514.b3lyp_6-31g(d).firefly.inp (generated)

000636514.b3lyp_6-31g(d).smash.inp (generated)

000636514.b3lyp_6-31g(d).nwchem.inp (generated) 000636514.b3lyp_6-31g(d).log.xz 000636514.td-b3lyp_6-31g+(d).inp 000636514.td-b3lyp_6-31g+(d).log.xz

000636514.td-b3lyp_6-31+g(d).qchem.inp (generated)

000636514.td-b3lyp_6-31+g(d).gjf (generated)

000636514.td-b3lyp_6-31+g(d).firefly.inp (generated)

000636514.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000636514.mol 000636514.PUBCHEM 000636514.mol (via Jmol)
000636523.b3lyp_6-31g(d).inp

000636523.b3lyp_6-31g(d).qchem.inp (generated)

000636523.b3lyp_6-31g(d).gjf (generated)

000636523.b3lyp_6-31g(d).firefly.inp (generated)

000636523.b3lyp_6-31g(d).smash.inp (generated)

000636523.b3lyp_6-31g(d).nwchem.inp (generated) 000636523.b3lyp_6-31g(d).log.xz 000636523.mol 000636523.PUBCHEM 000636523.mol (via Jmol)
000636526.b3lyp_6-31g(d).inp

000636526.b3lyp_6-31g(d).qchem.inp (generated)

000636526.b3lyp_6-31g(d).gjf (generated)

000636526.b3lyp_6-31g(d).firefly.inp (generated)

000636526.b3lyp_6-31g(d).smash.inp (generated)

000636526.b3lyp_6-31g(d).nwchem.inp (generated) 000636526.b3lyp_6-31g(d).log.xz 000636526.td-b3lyp_6-31g+(d).inp 000636526.td-b3lyp_6-31g+(d).log.xz

000636526.td-b3lyp_6-31+g(d).qchem.inp (generated)

000636526.td-b3lyp_6-31+g(d).gjf (generated)

000636526.td-b3lyp_6-31+g(d).firefly.inp (generated)

000636526.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000636526.mol 000636526.PUBCHEM 000636526.mol (via Jmol)
000636576.b3lyp_6-31g(d).inp

000636576.b3lyp_6-31g(d).qchem.inp (generated)

000636576.b3lyp_6-31g(d).gjf (generated)

000636576.b3lyp_6-31g(d).firefly.inp (generated)

000636576.b3lyp_6-31g(d).smash.inp (generated)

000636576.b3lyp_6-31g(d).nwchem.inp (generated) 000636576.b3lyp_6-31g(d).log.xz 000636576.mol 000636576.PUBCHEM 000636576.mol (via Jmol)
000636583.b3lyp_6-31g(d).inp

000636583.b3lyp_6-31g(d).qchem.inp (generated)

000636583.b3lyp_6-31g(d).gjf (generated)

000636583.b3lyp_6-31g(d).firefly.inp (generated)

000636583.b3lyp_6-31g(d).smash.inp (generated)

000636583.b3lyp_6-31g(d).nwchem.inp (generated) 000636583.b3lyp_6-31g(d).log.xz 000636583.td-b3lyp_6-31g+(d).inp 000636583.td-b3lyp_6-31g+(d).log.xz

000636583.td-b3lyp_6-31+g(d).qchem.inp (generated)

000636583.td-b3lyp_6-31+g(d).gjf (generated)

000636583.td-b3lyp_6-31+g(d).firefly.inp (generated)

000636583.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000636583.mol 000636583.PUBCHEM 000636583.mol (via Jmol)
000636601.b3lyp_6-31g(d).inp

000636601.b3lyp_6-31g(d).qchem.inp (generated)

000636601.b3lyp_6-31g(d).gjf (generated)

000636601.b3lyp_6-31g(d).firefly.inp (generated)

000636601.b3lyp_6-31g(d).smash.inp (generated)

000636601.b3lyp_6-31g(d).nwchem.inp (generated) 000636601.b3lyp_6-31g(d).log.xz 000636601.td-b3lyp_6-31g+(d).inp 000636601.td-b3lyp_6-31g+(d).log.xz

000636601.td-b3lyp_6-31+g(d).qchem.inp (generated)

000636601.td-b3lyp_6-31+g(d).gjf (generated)

000636601.td-b3lyp_6-31+g(d).firefly.inp (generated)

000636601.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000636601.mol 000636601.PUBCHEM 000636601.mol (via Jmol)
000636630.b3lyp_6-31g(d).inp

000636630.b3lyp_6-31g(d).qchem.inp (generated)

000636630.b3lyp_6-31g(d).gjf (generated)

000636630.b3lyp_6-31g(d).firefly.inp (generated)

000636630.b3lyp_6-31g(d).smash.inp (generated)

000636630.b3lyp_6-31g(d).nwchem.inp (generated) 000636630.b3lyp_6-31g(d).log.xz 000636630.mol 000636630.PUBCHEM 000636630.mol (via Jmol)
000636663.b3lyp_6-31g(d).inp

000636663.b3lyp_6-31g(d).qchem.inp (generated)

000636663.b3lyp_6-31g(d).gjf (generated)

000636663.b3lyp_6-31g(d).firefly.inp (generated)

000636663.b3lyp_6-31g(d).smash.inp (generated)

000636663.b3lyp_6-31g(d).nwchem.inp (generated) 000636663.b3lyp_6-31g(d).log.xz 000636663.td-b3lyp_6-31g+(d).inp 000636663.td-b3lyp_6-31g+(d).log.xz

000636663.td-b3lyp_6-31+g(d).qchem.inp (generated)

000636663.td-b3lyp_6-31+g(d).gjf (generated)

000636663.td-b3lyp_6-31+g(d).firefly.inp (generated)

000636663.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000636663.mol 000636663.PUBCHEM 000636663.mol (via Jmol)
000636678.b3lyp_6-31g(d).inp

000636678.b3lyp_6-31g(d).qchem.inp (generated)

000636678.b3lyp_6-31g(d).gjf (generated)

000636678.b3lyp_6-31g(d).firefly.inp (generated)

000636678.b3lyp_6-31g(d).smash.inp (generated)

000636678.b3lyp_6-31g(d).nwchem.inp (generated) 000636678.b3lyp_6-31g(d).log.xz 000636678.mol 000636678.PUBCHEM 000636678.mol (via Jmol)
000636688.b3lyp_6-31g(d).inp

000636688.b3lyp_6-31g(d).qchem.inp (generated)

000636688.b3lyp_6-31g(d).gjf (generated)

000636688.b3lyp_6-31g(d).firefly.inp (generated)

000636688.b3lyp_6-31g(d).smash.inp (generated)

000636688.b3lyp_6-31g(d).nwchem.inp (generated) 000636688.b3lyp_6-31g(d).log.xz 000636688.td-b3lyp_6-31g+(d).inp 000636688.td-b3lyp_6-31g+(d).log.xz

000636688.td-b3lyp_6-31+g(d).qchem.inp (generated)

000636688.td-b3lyp_6-31+g(d).gjf (generated)

000636688.td-b3lyp_6-31+g(d).firefly.inp (generated)

000636688.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000636688.mol 000636688.PUBCHEM 000636688.mol (via Jmol)
000636697.b3lyp_6-31g(d).inp

000636697.b3lyp_6-31g(d).qchem.inp (generated)

000636697.b3lyp_6-31g(d).gjf (generated)

000636697.b3lyp_6-31g(d).firefly.inp (generated)

000636697.b3lyp_6-31g(d).smash.inp (generated)

000636697.b3lyp_6-31g(d).nwchem.inp (generated) 000636697.b3lyp_6-31g(d).log.xz 000636697.td-b3lyp_6-31g+(d).inp 000636697.td-b3lyp_6-31g+(d).log.xz

000636697.td-b3lyp_6-31+g(d).qchem.inp (generated)

000636697.td-b3lyp_6-31+g(d).gjf (generated)

000636697.td-b3lyp_6-31+g(d).firefly.inp (generated)

000636697.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000636697.mol 000636697.PUBCHEM 000636697.mol (via Jmol)
000636708.b3lyp_6-31g(d).inp

000636708.b3lyp_6-31g(d).qchem.inp (generated)

000636708.b3lyp_6-31g(d).gjf (generated)

000636708.b3lyp_6-31g(d).firefly.inp (generated)

000636708.b3lyp_6-31g(d).smash.inp (generated)

000636708.b3lyp_6-31g(d).nwchem.inp (generated) 000636708.b3lyp_6-31g(d).log.xz 000636708.td-b3lyp_6-31g+(d).inp 000636708.td-b3lyp_6-31g+(d).log.xz

000636708.td-b3lyp_6-31+g(d).qchem.inp (generated)

000636708.td-b3lyp_6-31+g(d).gjf (generated)

000636708.td-b3lyp_6-31+g(d).firefly.inp (generated)

000636708.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000636708.mol 000636708.PUBCHEM 000636708.mol (via Jmol)
000636721.b3lyp_6-31g(d).inp

000636721.b3lyp_6-31g(d).qchem.inp (generated)

000636721.b3lyp_6-31g(d).gjf (generated)

000636721.b3lyp_6-31g(d).firefly.inp (generated)

000636721.b3lyp_6-31g(d).smash.inp (generated)

000636721.b3lyp_6-31g(d).nwchem.inp (generated) 000636721.b3lyp_6-31g(d).log.xz 000636721.td-b3lyp_6-31g+(d).inp 000636721.td-b3lyp_6-31g+(d).log.xz

000636721.td-b3lyp_6-31+g(d).qchem.inp (generated)

000636721.td-b3lyp_6-31+g(d).gjf (generated)

000636721.td-b3lyp_6-31+g(d).firefly.inp (generated)

000636721.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000636721.mol 000636721.PUBCHEM 000636721.mol (via Jmol)
000636730.b3lyp_6-31g(d).inp

000636730.b3lyp_6-31g(d).qchem.inp (generated)

000636730.b3lyp_6-31g(d).gjf (generated)

000636730.b3lyp_6-31g(d).firefly.inp (generated)

000636730.b3lyp_6-31g(d).smash.inp (generated)

000636730.b3lyp_6-31g(d).nwchem.inp (generated) 000636730.b3lyp_6-31g(d).log.xz 000636730.td-b3lyp_6-31g+(d).inp 000636730.td-b3lyp_6-31g+(d).log.xz

000636730.td-b3lyp_6-31+g(d).qchem.inp (generated)

000636730.td-b3lyp_6-31+g(d).gjf (generated)

000636730.td-b3lyp_6-31+g(d).firefly.inp (generated)

000636730.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000636730.mol 000636730.PUBCHEM 000636730.mol (via Jmol)
000636736.b3lyp_6-31g(d).inp

000636736.b3lyp_6-31g(d).qchem.inp (generated)

000636736.b3lyp_6-31g(d).gjf (generated)

000636736.b3lyp_6-31g(d).firefly.inp (generated)

000636736.b3lyp_6-31g(d).smash.inp (generated)

000636736.b3lyp_6-31g(d).nwchem.inp (generated) 000636736.b3lyp_6-31g(d).log.xz 000636736.td-b3lyp_6-31g+(d).inp 000636736.td-b3lyp_6-31g+(d).log.xz

000636736.td-b3lyp_6-31+g(d).qchem.inp (generated)

000636736.td-b3lyp_6-31+g(d).gjf (generated)

000636736.td-b3lyp_6-31+g(d).firefly.inp (generated)

000636736.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000636736.mol 000636736.PUBCHEM 000636736.mol (via Jmol)
000636750.b3lyp_6-31g(d).inp

000636750.b3lyp_6-31g(d).qchem.inp (generated)

000636750.b3lyp_6-31g(d).gjf (generated)

000636750.b3lyp_6-31g(d).firefly.inp (generated)

000636750.b3lyp_6-31g(d).smash.inp (generated)

000636750.b3lyp_6-31g(d).nwchem.inp (generated) 000636750.b3lyp_6-31g(d).log.xz 000636750.td-b3lyp_6-31g+(d).inp 000636750.td-b3lyp_6-31g+(d).log.xz

000636750.td-b3lyp_6-31+g(d).qchem.inp (generated)

000636750.td-b3lyp_6-31+g(d).gjf (generated)

000636750.td-b3lyp_6-31+g(d).firefly.inp (generated)

000636750.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000636750.mol 000636750.PUBCHEM 000636750.mol (via Jmol)
000636757.b3lyp_6-31g(d).inp

000636757.b3lyp_6-31g(d).qchem.inp (generated)

000636757.b3lyp_6-31g(d).gjf (generated)

000636757.b3lyp_6-31g(d).firefly.inp (generated)

000636757.b3lyp_6-31g(d).smash.inp (generated)

000636757.b3lyp_6-31g(d).nwchem.inp (generated) 000636757.b3lyp_6-31g(d).log.xz 000636757.mol 000636757.PUBCHEM 000636757.mol (via Jmol)
000636767.b3lyp_6-31g(d).inp

000636767.b3lyp_6-31g(d).qchem.inp (generated)

000636767.b3lyp_6-31g(d).gjf (generated)

000636767.b3lyp_6-31g(d).firefly.inp (generated)

000636767.b3lyp_6-31g(d).smash.inp (generated)

000636767.b3lyp_6-31g(d).nwchem.inp (generated) 000636767.b3lyp_6-31g(d).log.xz 000636767.td-b3lyp_6-31g+(d).inp 000636767.td-b3lyp_6-31g+(d).log.xz

000636767.td-b3lyp_6-31+g(d).qchem.inp (generated)

000636767.td-b3lyp_6-31+g(d).gjf (generated)

000636767.td-b3lyp_6-31+g(d).firefly.inp (generated)

000636767.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000636767.mol 000636767.PUBCHEM 000636767.mol (via Jmol)
000636818.b3lyp_6-31g(d).inp

000636818.b3lyp_6-31g(d).qchem.inp (generated)

000636818.b3lyp_6-31g(d).gjf (generated)

000636818.b3lyp_6-31g(d).firefly.inp (generated)

000636818.b3lyp_6-31g(d).smash.inp (generated)

000636818.b3lyp_6-31g(d).nwchem.inp (generated) 000636818.b3lyp_6-31g(d).log.xz 000636818.td-b3lyp_6-31g+(d).inp 000636818.td-b3lyp_6-31g+(d).log.xz

000636818.td-b3lyp_6-31+g(d).qchem.inp (generated)

000636818.td-b3lyp_6-31+g(d).gjf (generated)

000636818.td-b3lyp_6-31+g(d).firefly.inp (generated)

000636818.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000636818.mol 000636818.PUBCHEM 000636818.mol (via Jmol)
000636822.b3lyp_6-31g(d).inp

000636822.b3lyp_6-31g(d).qchem.inp (generated)

000636822.b3lyp_6-31g(d).gjf (generated)

000636822.b3lyp_6-31g(d).firefly.inp (generated)

000636822.b3lyp_6-31g(d).smash.inp (generated)

000636822.b3lyp_6-31g(d).nwchem.inp (generated) 000636822.b3lyp_6-31g(d).log.xz 000636822.td-b3lyp_6-31g+(d).inp 000636822.td-b3lyp_6-31g+(d).log.xz

000636822.td-b3lyp_6-31+g(d).qchem.inp (generated)

000636822.td-b3lyp_6-31+g(d).gjf (generated)

000636822.td-b3lyp_6-31+g(d).firefly.inp (generated)

000636822.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000636822.mol 000636822.PUBCHEM 000636822.mol (via Jmol)
000636831.b3lyp_6-31g(d).inp

000636831.b3lyp_6-31g(d).qchem.inp (generated)

000636831.b3lyp_6-31g(d).gjf (generated)

000636831.b3lyp_6-31g(d).firefly.inp (generated)

000636831.b3lyp_6-31g(d).smash.inp (generated)

000636831.b3lyp_6-31g(d).nwchem.inp (generated) 000636831.b3lyp_6-31g(d).log.xz 000636831.td-b3lyp_6-31g+(d).inp 000636831.td-b3lyp_6-31g+(d).log.xz

000636831.td-b3lyp_6-31+g(d).qchem.inp (generated)

000636831.td-b3lyp_6-31+g(d).gjf (generated)

000636831.td-b3lyp_6-31+g(d).firefly.inp (generated)

000636831.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000636831.mol 000636831.PUBCHEM 000636831.mol (via Jmol)
000636858.b3lyp_6-31g(d).inp

000636858.b3lyp_6-31g(d).qchem.inp (generated)

000636858.b3lyp_6-31g(d).gjf (generated)

000636858.b3lyp_6-31g(d).firefly.inp (generated)

000636858.b3lyp_6-31g(d).smash.inp (generated)

000636858.b3lyp_6-31g(d).nwchem.inp (generated) 000636858.b3lyp_6-31g(d).log.xz 000636858.td-b3lyp_6-31g+(d).inp 000636858.td-b3lyp_6-31g+(d).log.xz

000636858.td-b3lyp_6-31+g(d).qchem.inp (generated)

000636858.td-b3lyp_6-31+g(d).gjf (generated)

000636858.td-b3lyp_6-31+g(d).firefly.inp (generated)

000636858.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000636858.mol 000636858.PUBCHEM 000636858.mol (via Jmol)
000636860.b3lyp_6-31g(d).inp

000636860.b3lyp_6-31g(d).qchem.inp (generated)

000636860.b3lyp_6-31g(d).gjf (generated)

000636860.b3lyp_6-31g(d).firefly.inp (generated)

000636860.b3lyp_6-31g(d).smash.inp (generated)

000636860.b3lyp_6-31g(d).nwchem.inp (generated) 000636860.b3lyp_6-31g(d).log.xz 000636860.td-b3lyp_6-31g+(d).inp 000636860.td-b3lyp_6-31g+(d).log.xz

000636860.td-b3lyp_6-31+g(d).qchem.inp (generated)

000636860.td-b3lyp_6-31+g(d).gjf (generated)

000636860.td-b3lyp_6-31+g(d).firefly.inp (generated)

000636860.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000636860.mol 000636860.PUBCHEM 000636860.mol (via Jmol)
000636877.b3lyp_6-31g(d).inp

000636877.b3lyp_6-31g(d).qchem.inp (generated)

000636877.b3lyp_6-31g(d).gjf (generated)

000636877.b3lyp_6-31g(d).firefly.inp (generated)

000636877.b3lyp_6-31g(d).smash.inp (generated)

000636877.b3lyp_6-31g(d).nwchem.inp (generated) 000636877.b3lyp_6-31g(d).log.xz 000636877.td-b3lyp_6-31g+(d).inp 000636877.td-b3lyp_6-31g+(d).log.xz

000636877.td-b3lyp_6-31+g(d).qchem.inp (generated)

000636877.td-b3lyp_6-31+g(d).gjf (generated)

000636877.td-b3lyp_6-31+g(d).firefly.inp (generated)

000636877.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000636877.mol 000636877.PUBCHEM 000636877.mol (via Jmol)
000636890.b3lyp_6-31g(d).inp

000636890.b3lyp_6-31g(d).qchem.inp (generated)

000636890.b3lyp_6-31g(d).gjf (generated)

000636890.b3lyp_6-31g(d).firefly.inp (generated)

000636890.b3lyp_6-31g(d).smash.inp (generated)

000636890.b3lyp_6-31g(d).nwchem.inp (generated) 000636890.b3lyp_6-31g(d).log.xz 000636890.td-b3lyp_6-31g+(d).inp 000636890.td-b3lyp_6-31g+(d).log.xz

000636890.td-b3lyp_6-31+g(d).qchem.inp (generated)

000636890.td-b3lyp_6-31+g(d).gjf (generated)

000636890.td-b3lyp_6-31+g(d).firefly.inp (generated)

000636890.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000636890.mol 000636890.PUBCHEM 000636890.mol (via Jmol)
000636933.b3lyp_6-31g(d).inp

000636933.b3lyp_6-31g(d).qchem.inp (generated)

000636933.b3lyp_6-31g(d).gjf (generated)

000636933.b3lyp_6-31g(d).firefly.inp (generated)

000636933.b3lyp_6-31g(d).smash.inp (generated)

000636933.b3lyp_6-31g(d).nwchem.inp (generated) 000636933.b3lyp_6-31g(d).log.xz 000636933.td-b3lyp_6-31g+(d).inp 000636933.td-b3lyp_6-31g+(d).log.xz

000636933.td-b3lyp_6-31+g(d).qchem.inp (generated)

000636933.td-b3lyp_6-31+g(d).gjf (generated)

000636933.td-b3lyp_6-31+g(d).firefly.inp (generated)

000636933.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000636933.mol 000636933.PUBCHEM 000636933.mol (via Jmol)
000636936.b3lyp_6-31g(d).inp

000636936.b3lyp_6-31g(d).qchem.inp (generated)

000636936.b3lyp_6-31g(d).gjf (generated)

000636936.b3lyp_6-31g(d).firefly.inp (generated)

000636936.b3lyp_6-31g(d).smash.inp (generated)

000636936.b3lyp_6-31g(d).nwchem.inp (generated) 000636936.b3lyp_6-31g(d).log.xz 000636936.td-b3lyp_6-31g+(d).inp 000636936.td-b3lyp_6-31g+(d).log.xz

000636936.td-b3lyp_6-31+g(d).qchem.inp (generated)

000636936.td-b3lyp_6-31+g(d).gjf (generated)

000636936.td-b3lyp_6-31+g(d).firefly.inp (generated)

000636936.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000636936.mol 000636936.PUBCHEM 000636936.mol (via Jmol)
000636938.b3lyp_6-31g(d).inp

000636938.b3lyp_6-31g(d).qchem.inp (generated)

000636938.b3lyp_6-31g(d).gjf (generated)

000636938.b3lyp_6-31g(d).firefly.inp (generated)

000636938.b3lyp_6-31g(d).smash.inp (generated)

000636938.b3lyp_6-31g(d).nwchem.inp (generated) 000636938.b3lyp_6-31g(d).log.xz 000636938.mol 000636938.PUBCHEM 000636938.mol (via Jmol)
000636946.b3lyp_6-31g(d).inp

000636946.b3lyp_6-31g(d).qchem.inp (generated)

000636946.b3lyp_6-31g(d).gjf (generated)

000636946.b3lyp_6-31g(d).firefly.inp (generated)

000636946.b3lyp_6-31g(d).smash.inp (generated)

000636946.b3lyp_6-31g(d).nwchem.inp (generated) 000636946.b3lyp_6-31g(d).log.xz 000636946.td-b3lyp_6-31g+(d).inp 000636946.td-b3lyp_6-31g+(d).log.xz

000636946.td-b3lyp_6-31+g(d).qchem.inp (generated)

000636946.td-b3lyp_6-31+g(d).gjf (generated)

000636946.td-b3lyp_6-31+g(d).firefly.inp (generated)

000636946.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000636946.mol 000636946.PUBCHEM 000636946.mol (via Jmol)
000636947.b3lyp_6-31g(d).inp

000636947.b3lyp_6-31g(d).qchem.inp (generated)

000636947.b3lyp_6-31g(d).gjf (generated)

000636947.b3lyp_6-31g(d).firefly.inp (generated)

000636947.b3lyp_6-31g(d).smash.inp (generated)

000636947.b3lyp_6-31g(d).nwchem.inp (generated) 000636947.b3lyp_6-31g(d).log.xz 000636947.td-b3lyp_6-31g+(d).inp 000636947.td-b3lyp_6-31g+(d).log.xz

000636947.td-b3lyp_6-31+g(d).qchem.inp (generated)

000636947.td-b3lyp_6-31+g(d).gjf (generated)

000636947.td-b3lyp_6-31+g(d).firefly.inp (generated)

000636947.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000636947.mol 000636947.PUBCHEM 000636947.mol (via Jmol)
000636948.b3lyp_6-31g(d).inp

000636948.b3lyp_6-31g(d).qchem.inp (generated)

000636948.b3lyp_6-31g(d).gjf (generated)

000636948.b3lyp_6-31g(d).firefly.inp (generated)

000636948.b3lyp_6-31g(d).smash.inp (generated)

000636948.b3lyp_6-31g(d).nwchem.inp (generated) 000636948.b3lyp_6-31g(d).log.xz 000636948.td-b3lyp_6-31g+(d).inp 000636948.td-b3lyp_6-31g+(d).log.xz

000636948.td-b3lyp_6-31+g(d).qchem.inp (generated)

000636948.td-b3lyp_6-31+g(d).gjf (generated)

000636948.td-b3lyp_6-31+g(d).firefly.inp (generated)

000636948.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000636948.mol 000636948.PUBCHEM 000636948.mol (via Jmol)
000636970.b3lyp_6-31g(d).inp

000636970.b3lyp_6-31g(d).qchem.inp (generated)

000636970.b3lyp_6-31g(d).gjf (generated)

000636970.b3lyp_6-31g(d).firefly.inp (generated)

000636970.b3lyp_6-31g(d).smash.inp (generated)

000636970.b3lyp_6-31g(d).nwchem.inp (generated) 000636970.b3lyp_6-31g(d).log.xz 000636970.td-b3lyp_6-31g+(d).inp 000636970.td-b3lyp_6-31g+(d).log.xz

000636970.td-b3lyp_6-31+g(d).qchem.inp (generated)

000636970.td-b3lyp_6-31+g(d).gjf (generated)

000636970.td-b3lyp_6-31+g(d).firefly.inp (generated)

000636970.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000636970.mol 000636970.PUBCHEM 000636970.mol (via Jmol)
000636972.b3lyp_6-31g(d).inp

000636972.b3lyp_6-31g(d).qchem.inp (generated)

000636972.b3lyp_6-31g(d).gjf (generated)

000636972.b3lyp_6-31g(d).firefly.inp (generated)

000636972.b3lyp_6-31g(d).smash.inp (generated)

000636972.b3lyp_6-31g(d).nwchem.inp (generated) 000636972.b3lyp_6-31g(d).log.xz 000636972.mol 000636972.PUBCHEM 000636972.mol (via Jmol)
000636986.b3lyp_6-31g(d).inp

000636986.b3lyp_6-31g(d).qchem.inp (generated)

000636986.b3lyp_6-31g(d).gjf (generated)

000636986.b3lyp_6-31g(d).firefly.inp (generated)

000636986.b3lyp_6-31g(d).smash.inp (generated)

000636986.b3lyp_6-31g(d).nwchem.inp (generated) 000636986.b3lyp_6-31g(d).log.xz 000636986.td-b3lyp_6-31g+(d).inp 000636986.td-b3lyp_6-31g+(d).log.xz

000636986.td-b3lyp_6-31+g(d).qchem.inp (generated)

000636986.td-b3lyp_6-31+g(d).gjf (generated)

000636986.td-b3lyp_6-31+g(d).firefly.inp (generated)

000636986.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000636986.mol 000636986.PUBCHEM 000636986.mol (via Jmol)
000636991.b3lyp_6-31g(d).inp

000636991.b3lyp_6-31g(d).qchem.inp (generated)

000636991.b3lyp_6-31g(d).gjf (generated)

000636991.b3lyp_6-31g(d).firefly.inp (generated)

000636991.b3lyp_6-31g(d).smash.inp (generated)

000636991.b3lyp_6-31g(d).nwchem.inp (generated) 000636991.b3lyp_6-31g(d).log.xz 000636991.td-b3lyp_6-31g+(d).inp 000636991.td-b3lyp_6-31g+(d).log.xz

000636991.td-b3lyp_6-31+g(d).qchem.inp (generated)

000636991.td-b3lyp_6-31+g(d).gjf (generated)

000636991.td-b3lyp_6-31+g(d).firefly.inp (generated)

000636991.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000636991.mol 000636991.PUBCHEM 000636991.mol (via Jmol)
000637042.b3lyp_6-31g(d).inp

000637042.b3lyp_6-31g(d).qchem.inp (generated)

000637042.b3lyp_6-31g(d).gjf (generated)

000637042.b3lyp_6-31g(d).firefly.inp (generated)

000637042.b3lyp_6-31g(d).smash.inp (generated)

000637042.b3lyp_6-31g(d).nwchem.inp (generated) 000637042.b3lyp_6-31g(d).log.xz 000637042.td-b3lyp_6-31g+(d).inp 000637042.td-b3lyp_6-31g+(d).log.xz

000637042.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637042.td-b3lyp_6-31+g(d).gjf (generated)

000637042.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637042.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637042.mol 000637042.PUBCHEM 000637042.mol (via Jmol)
000637084.b3lyp_6-31g(d).inp

000637084.b3lyp_6-31g(d).qchem.inp (generated)

000637084.b3lyp_6-31g(d).gjf (generated)

000637084.b3lyp_6-31g(d).firefly.inp (generated)

000637084.b3lyp_6-31g(d).smash.inp (generated)

000637084.b3lyp_6-31g(d).nwchem.inp (generated) 000637084.b3lyp_6-31g(d).log.xz 000637084.td-b3lyp_6-31g+(d).inp 000637084.td-b3lyp_6-31g+(d).log.xz

000637084.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637084.td-b3lyp_6-31+g(d).gjf (generated)

000637084.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637084.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637084.mol 000637084.PUBCHEM 000637084.mol (via Jmol)
000637089.b3lyp_6-31g(d).inp

000637089.b3lyp_6-31g(d).qchem.inp (generated)

000637089.b3lyp_6-31g(d).gjf (generated)

000637089.b3lyp_6-31g(d).firefly.inp (generated)

000637089.b3lyp_6-31g(d).smash.inp (generated)

000637089.b3lyp_6-31g(d).nwchem.inp (generated) 000637089.b3lyp_6-31g(d).log.xz 000637089.td-b3lyp_6-31g+(d).inp 000637089.td-b3lyp_6-31g+(d).log.xz

000637089.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637089.td-b3lyp_6-31+g(d).gjf (generated)

000637089.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637089.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637089.mol 000637089.PUBCHEM 000637089.mol (via Jmol)
000637090.b3lyp_6-31g(d).inp

000637090.b3lyp_6-31g(d).qchem.inp (generated)

000637090.b3lyp_6-31g(d).gjf (generated)

000637090.b3lyp_6-31g(d).firefly.inp (generated)

000637090.b3lyp_6-31g(d).smash.inp (generated)

000637090.b3lyp_6-31g(d).nwchem.inp (generated) 000637090.b3lyp_6-31g(d).log.xz 000637090.td-b3lyp_6-31g+(d).inp 000637090.td-b3lyp_6-31g+(d).log.xz

000637090.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637090.td-b3lyp_6-31+g(d).gjf (generated)

000637090.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637090.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637090.mol 000637090.PUBCHEM 000637090.mol (via Jmol)
000637095.b3lyp_6-31g(d).inp

000637095.b3lyp_6-31g(d).qchem.inp (generated)

000637095.b3lyp_6-31g(d).gjf (generated)

000637095.b3lyp_6-31g(d).firefly.inp (generated)

000637095.b3lyp_6-31g(d).smash.inp (generated)

000637095.b3lyp_6-31g(d).nwchem.inp (generated) 000637095.b3lyp_6-31g(d).log.xz 000637095.td-b3lyp_6-31g+(d).inp 000637095.td-b3lyp_6-31g+(d).log.xz

000637095.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637095.td-b3lyp_6-31+g(d).gjf (generated)

000637095.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637095.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637095.mol 000637095.PUBCHEM 000637095.mol (via Jmol)
000637108.b3lyp_6-31g(d).inp

000637108.b3lyp_6-31g(d).qchem.inp (generated)

000637108.b3lyp_6-31g(d).gjf (generated)

000637108.b3lyp_6-31g(d).firefly.inp (generated)

000637108.b3lyp_6-31g(d).smash.inp (generated)

000637108.b3lyp_6-31g(d).nwchem.inp (generated) 000637108.b3lyp_6-31g(d).log.xz 000637108.td-b3lyp_6-31g+(d).inp 000637108.td-b3lyp_6-31g+(d).log.xz

000637108.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637108.td-b3lyp_6-31+g(d).gjf (generated)

000637108.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637108.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637108.mol 000637108.PUBCHEM 000637108.mol (via Jmol)
000637113.b3lyp_6-31g(d).inp

000637113.b3lyp_6-31g(d).qchem.inp (generated)

000637113.b3lyp_6-31g(d).gjf (generated)

000637113.b3lyp_6-31g(d).firefly.inp (generated)

000637113.b3lyp_6-31g(d).smash.inp (generated)

000637113.b3lyp_6-31g(d).nwchem.inp (generated) 000637113.b3lyp_6-31g(d).log.xz 000637113.td-b3lyp_6-31g+(d).inp 000637113.td-b3lyp_6-31g+(d).log.xz

000637113.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637113.td-b3lyp_6-31+g(d).gjf (generated)

000637113.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637113.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637113.mol 000637113.PUBCHEM 000637113.mol (via Jmol)
000637130.b3lyp_6-31g(d).inp

000637130.b3lyp_6-31g(d).qchem.inp (generated)

000637130.b3lyp_6-31g(d).gjf (generated)

000637130.b3lyp_6-31g(d).firefly.inp (generated)

000637130.b3lyp_6-31g(d).smash.inp (generated)

000637130.b3lyp_6-31g(d).nwchem.inp (generated) 000637130.b3lyp_6-31g(d).log.xz 000637130.td-b3lyp_6-31g+(d).inp 000637130.td-b3lyp_6-31g+(d).log.xz

000637130.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637130.td-b3lyp_6-31+g(d).gjf (generated)

000637130.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637130.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637130.mol 000637130.PUBCHEM 000637130.mol (via Jmol)
000637131.b3lyp_6-31g(d).inp

000637131.b3lyp_6-31g(d).qchem.inp (generated)

000637131.b3lyp_6-31g(d).gjf (generated)

000637131.b3lyp_6-31g(d).firefly.inp (generated)

000637131.b3lyp_6-31g(d).smash.inp (generated)

000637131.b3lyp_6-31g(d).nwchem.inp (generated) 000637131.b3lyp_6-31g(d).log.xz 000637131.td-b3lyp_6-31g+(d).inp 000637131.td-b3lyp_6-31g+(d).log.xz

000637131.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637131.td-b3lyp_6-31+g(d).gjf (generated)

000637131.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637131.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637131.mol 000637131.PUBCHEM 000637131.mol (via Jmol)
000637132.b3lyp_6-31g(d).inp

000637132.b3lyp_6-31g(d).qchem.inp (generated)

000637132.b3lyp_6-31g(d).gjf (generated)

000637132.b3lyp_6-31g(d).firefly.inp (generated)

000637132.b3lyp_6-31g(d).smash.inp (generated)

000637132.b3lyp_6-31g(d).nwchem.inp (generated) 000637132.b3lyp_6-31g(d).log.xz 000637132.td-b3lyp_6-31g+(d).inp 000637132.td-b3lyp_6-31g+(d).log.xz

000637132.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637132.td-b3lyp_6-31+g(d).gjf (generated)

000637132.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637132.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637132.mol 000637132.PUBCHEM 000637132.mol (via Jmol)
000637145.b3lyp_6-31g(d).inp

000637145.b3lyp_6-31g(d).qchem.inp (generated)

000637145.b3lyp_6-31g(d).gjf (generated)

000637145.b3lyp_6-31g(d).firefly.inp (generated)

000637145.b3lyp_6-31g(d).smash.inp (generated)

000637145.b3lyp_6-31g(d).nwchem.inp (generated) 000637145.b3lyp_6-31g(d).log.xz 000637145.td-b3lyp_6-31g+(d).inp 000637145.td-b3lyp_6-31g+(d).log.xz

000637145.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637145.td-b3lyp_6-31+g(d).gjf (generated)

000637145.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637145.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637145.mol 000637145.PUBCHEM 000637145.mol (via Jmol)
000637146.b3lyp_6-31g(d).inp

000637146.b3lyp_6-31g(d).qchem.inp (generated)

000637146.b3lyp_6-31g(d).gjf (generated)

000637146.b3lyp_6-31g(d).firefly.inp (generated)

000637146.b3lyp_6-31g(d).smash.inp (generated)

000637146.b3lyp_6-31g(d).nwchem.inp (generated) 000637146.b3lyp_6-31g(d).log.xz 000637146.td-b3lyp_6-31g+(d).inp 000637146.td-b3lyp_6-31g+(d).log.xz

000637146.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637146.td-b3lyp_6-31+g(d).gjf (generated)

000637146.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637146.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637146.mol 000637146.PUBCHEM 000637146.mol (via Jmol)
000637147.b3lyp_6-31g(d).inp

000637147.b3lyp_6-31g(d).qchem.inp (generated)

000637147.b3lyp_6-31g(d).gjf (generated)

000637147.b3lyp_6-31g(d).firefly.inp (generated)

000637147.b3lyp_6-31g(d).smash.inp (generated)

000637147.b3lyp_6-31g(d).nwchem.inp (generated) 000637147.b3lyp_6-31g(d).log.xz 000637147.td-b3lyp_6-31g+(d).inp 000637147.td-b3lyp_6-31g+(d).log.xz

000637147.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637147.td-b3lyp_6-31+g(d).gjf (generated)

000637147.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637147.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637147.mol 000637147.PUBCHEM 000637147.mol (via Jmol)
000637149.b3lyp_6-31g(d).inp

000637149.b3lyp_6-31g(d).qchem.inp (generated)

000637149.b3lyp_6-31g(d).gjf (generated)

000637149.b3lyp_6-31g(d).firefly.inp (generated)

000637149.b3lyp_6-31g(d).smash.inp (generated)

000637149.b3lyp_6-31g(d).nwchem.inp (generated) 000637149.b3lyp_6-31g(d).log.xz 000637149.td-b3lyp_6-31g+(d).inp 000637149.td-b3lyp_6-31g+(d).log.xz

000637149.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637149.td-b3lyp_6-31+g(d).gjf (generated)

000637149.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637149.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637149.mol 000637149.PUBCHEM 000637149.mol (via Jmol)
000637154.b3lyp_6-31g(d).inp

000637154.b3lyp_6-31g(d).qchem.inp (generated)

000637154.b3lyp_6-31g(d).gjf (generated)

000637154.b3lyp_6-31g(d).firefly.inp (generated)

000637154.b3lyp_6-31g(d).smash.inp (generated)

000637154.b3lyp_6-31g(d).nwchem.inp (generated) 000637154.b3lyp_6-31g(d).log.xz 000637154.td-b3lyp_6-31g+(d).inp 000637154.td-b3lyp_6-31g+(d).log.xz

000637154.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637154.td-b3lyp_6-31+g(d).gjf (generated)

000637154.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637154.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637154.mol 000637154.PUBCHEM 000637154.mol (via Jmol)
000637155.b3lyp_6-31g(d).inp

000637155.b3lyp_6-31g(d).qchem.inp (generated)

000637155.b3lyp_6-31g(d).gjf (generated)

000637155.b3lyp_6-31g(d).firefly.inp (generated)

000637155.b3lyp_6-31g(d).smash.inp (generated)

000637155.b3lyp_6-31g(d).nwchem.inp (generated) 000637155.b3lyp_6-31g(d).log.xz 000637155.td-b3lyp_6-31g+(d).inp 000637155.td-b3lyp_6-31g+(d).log.xz

000637155.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637155.td-b3lyp_6-31+g(d).gjf (generated)

000637155.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637155.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637155.mol 000637155.PUBCHEM 000637155.mol (via Jmol)
000637165.b3lyp_6-31g(d).inp

000637165.b3lyp_6-31g(d).qchem.inp (generated)

000637165.b3lyp_6-31g(d).gjf (generated)

000637165.b3lyp_6-31g(d).firefly.inp (generated)

000637165.b3lyp_6-31g(d).smash.inp (generated)

000637165.b3lyp_6-31g(d).nwchem.inp (generated) 000637165.b3lyp_6-31g(d).log.xz 000637165.td-b3lyp_6-31g+(d).inp 000637165.td-b3lyp_6-31g+(d).log.xz

000637165.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637165.td-b3lyp_6-31+g(d).gjf (generated)

000637165.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637165.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637165.mol 000637165.PUBCHEM 000637165.mol (via Jmol)
000637201.b3lyp_6-31g(d).inp

000637201.b3lyp_6-31g(d).qchem.inp (generated)

000637201.b3lyp_6-31g(d).gjf (generated)

000637201.b3lyp_6-31g(d).firefly.inp (generated)

000637201.b3lyp_6-31g(d).smash.inp (generated)

000637201.b3lyp_6-31g(d).nwchem.inp (generated) 000637201.b3lyp_6-31g(d).log.xz 000637201.td-b3lyp_6-31g+(d).inp 000637201.td-b3lyp_6-31g+(d).log.xz

000637201.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637201.td-b3lyp_6-31+g(d).gjf (generated)

000637201.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637201.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637201.mol 000637201.PUBCHEM 000637201.mol (via Jmol)
000637223.b3lyp_6-31g(d).inp

000637223.b3lyp_6-31g(d).qchem.inp (generated)

000637223.b3lyp_6-31g(d).gjf (generated)

000637223.b3lyp_6-31g(d).firefly.inp (generated)

000637223.b3lyp_6-31g(d).smash.inp (generated)

000637223.b3lyp_6-31g(d).nwchem.inp (generated) 000637223.b3lyp_6-31g(d).log.xz 000637223.td-b3lyp_6-31g+(d).inp 000637223.td-b3lyp_6-31g+(d).log.xz

000637223.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637223.td-b3lyp_6-31+g(d).gjf (generated)

000637223.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637223.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637223.mol 000637223.PUBCHEM 000637223.mol (via Jmol)
000637257.b3lyp_6-31g(d).inp

000637257.b3lyp_6-31g(d).qchem.inp (generated)

000637257.b3lyp_6-31g(d).gjf (generated)

000637257.b3lyp_6-31g(d).firefly.inp (generated)

000637257.b3lyp_6-31g(d).smash.inp (generated)

000637257.b3lyp_6-31g(d).nwchem.inp (generated) 000637257.b3lyp_6-31g(d).log.xz 000637257.td-b3lyp_6-31g+(d).inp 000637257.td-b3lyp_6-31g+(d).log.xz

000637257.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637257.td-b3lyp_6-31+g(d).gjf (generated)

000637257.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637257.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637257.mol 000637257.PUBCHEM 000637257.mol (via Jmol)
000637258.b3lyp_6-31g(d).inp

000637258.b3lyp_6-31g(d).qchem.inp (generated)

000637258.b3lyp_6-31g(d).gjf (generated)

000637258.b3lyp_6-31g(d).firefly.inp (generated)

000637258.b3lyp_6-31g(d).smash.inp (generated)

000637258.b3lyp_6-31g(d).nwchem.inp (generated) 000637258.b3lyp_6-31g(d).log.xz 000637258.td-b3lyp_6-31g+(d).inp 000637258.td-b3lyp_6-31g+(d).log.xz

000637258.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637258.td-b3lyp_6-31+g(d).gjf (generated)

000637258.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637258.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637258.mol 000637258.PUBCHEM 000637258.mol (via Jmol)
000637259.b3lyp_6-31g(d).inp

000637259.b3lyp_6-31g(d).qchem.inp (generated)

000637259.b3lyp_6-31g(d).gjf (generated)

000637259.b3lyp_6-31g(d).firefly.inp (generated)

000637259.b3lyp_6-31g(d).smash.inp (generated)

000637259.b3lyp_6-31g(d).nwchem.inp (generated) 000637259.b3lyp_6-31g(d).log.xz 000637259.td-b3lyp_6-31g+(d).inp 000637259.td-b3lyp_6-31g+(d).log.xz

000637259.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637259.td-b3lyp_6-31+g(d).gjf (generated)

000637259.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637259.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637259.mol 000637259.PUBCHEM 000637259.mol (via Jmol)
000637269.b3lyp_6-31g(d).inp

000637269.b3lyp_6-31g(d).qchem.inp (generated)

000637269.b3lyp_6-31g(d).gjf (generated)

000637269.b3lyp_6-31g(d).firefly.inp (generated)

000637269.b3lyp_6-31g(d).smash.inp (generated)

000637269.b3lyp_6-31g(d).nwchem.inp (generated) 000637269.b3lyp_6-31g(d).log.xz 000637269.mol 000637269.PUBCHEM 000637269.mol (via Jmol)
000637271.b3lyp_6-31g(d).inp

000637271.b3lyp_6-31g(d).qchem.inp (generated)

000637271.b3lyp_6-31g(d).gjf (generated)

000637271.b3lyp_6-31g(d).firefly.inp (generated)

000637271.b3lyp_6-31g(d).smash.inp (generated)

000637271.b3lyp_6-31g(d).nwchem.inp (generated) 000637271.b3lyp_6-31g(d).log.xz 000637271.td-b3lyp_6-31g+(d).inp 000637271.td-b3lyp_6-31g+(d).log.xz

000637271.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637271.td-b3lyp_6-31+g(d).gjf (generated)

000637271.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637271.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637271.mol 000637271.PUBCHEM 000637271.mol (via Jmol)
000637277.b3lyp_6-31g(d).inp

000637277.b3lyp_6-31g(d).qchem.inp (generated)

000637277.b3lyp_6-31g(d).gjf (generated)

000637277.b3lyp_6-31g(d).firefly.inp (generated)

000637277.b3lyp_6-31g(d).smash.inp (generated)

000637277.b3lyp_6-31g(d).nwchem.inp (generated) 000637277.b3lyp_6-31g(d).log.xz 000637277.td-b3lyp_6-31g+(d).inp 000637277.td-b3lyp_6-31g+(d).log.xz

000637277.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637277.td-b3lyp_6-31+g(d).gjf (generated)

000637277.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637277.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637277.mol 000637277.PUBCHEM 000637277.mol (via Jmol)
000637281.b3lyp_6-31g(d).inp

000637281.b3lyp_6-31g(d).qchem.inp (generated)

000637281.b3lyp_6-31g(d).gjf (generated)

000637281.b3lyp_6-31g(d).firefly.inp (generated)

000637281.b3lyp_6-31g(d).smash.inp (generated)

000637281.b3lyp_6-31g(d).nwchem.inp (generated) 000637281.b3lyp_6-31g(d).log.xz 000637281.td-b3lyp_6-31g+(d).inp 000637281.td-b3lyp_6-31g+(d).log.xz

000637281.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637281.td-b3lyp_6-31+g(d).gjf (generated)

000637281.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637281.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637281.mol 000637281.PUBCHEM 000637281.mol (via Jmol)
000637290.b3lyp_6-31g(d).inp

000637290.b3lyp_6-31g(d).qchem.inp (generated)

000637290.b3lyp_6-31g(d).gjf (generated)

000637290.b3lyp_6-31g(d).firefly.inp (generated)

000637290.b3lyp_6-31g(d).smash.inp (generated)

000637290.b3lyp_6-31g(d).nwchem.inp (generated) 000637290.b3lyp_6-31g(d).log.xz 000637290.td-b3lyp_6-31g+(d).inp 000637290.td-b3lyp_6-31g+(d).log.xz

000637290.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637290.td-b3lyp_6-31+g(d).gjf (generated)

000637290.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637290.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637290.mol 000637290.PUBCHEM 000637290.mol (via Jmol)
000637299.b3lyp_6-31g(d).inp

000637299.b3lyp_6-31g(d).qchem.inp (generated)

000637299.b3lyp_6-31g(d).gjf (generated)

000637299.b3lyp_6-31g(d).firefly.inp (generated)

000637299.b3lyp_6-31g(d).smash.inp (generated)

000637299.b3lyp_6-31g(d).nwchem.inp (generated) 000637299.b3lyp_6-31g(d).log.xz 000637299.mol 000637299.PUBCHEM 000637299.mol (via Jmol)
000637303.b3lyp_6-31g(d).inp

000637303.b3lyp_6-31g(d).qchem.inp (generated)

000637303.b3lyp_6-31g(d).gjf (generated)

000637303.b3lyp_6-31g(d).firefly.inp (generated)

000637303.b3lyp_6-31g(d).smash.inp (generated)

000637303.b3lyp_6-31g(d).nwchem.inp (generated) 000637303.b3lyp_6-31g(d).log.xz 000637303.mol 000637303.PUBCHEM 000637303.mol (via Jmol)
000637328.b3lyp_6-31g(d).inp

000637328.b3lyp_6-31g(d).qchem.inp (generated)

000637328.b3lyp_6-31g(d).gjf (generated)

000637328.b3lyp_6-31g(d).firefly.inp (generated)

000637328.b3lyp_6-31g(d).smash.inp (generated)

000637328.b3lyp_6-31g(d).nwchem.inp (generated) 000637328.b3lyp_6-31g(d).log.xz 000637328.td-b3lyp_6-31g+(d).inp 000637328.td-b3lyp_6-31g+(d).log.xz

000637328.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637328.td-b3lyp_6-31+g(d).gjf (generated)

000637328.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637328.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637328.mol 000637328.PUBCHEM 000637328.mol (via Jmol)
000637329.b3lyp_6-31g(d).inp

000637329.b3lyp_6-31g(d).qchem.inp (generated)

000637329.b3lyp_6-31g(d).gjf (generated)

000637329.b3lyp_6-31g(d).firefly.inp (generated)

000637329.b3lyp_6-31g(d).smash.inp (generated)

000637329.b3lyp_6-31g(d).nwchem.inp (generated) 000637329.b3lyp_6-31g(d).log.xz 000637329.td-b3lyp_6-31g+(d).inp 000637329.td-b3lyp_6-31g+(d).log.xz

000637329.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637329.td-b3lyp_6-31+g(d).gjf (generated)

000637329.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637329.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637329.mol 000637329.PUBCHEM 000637329.mol (via Jmol)
000637330.b3lyp_6-31g(d).inp

000637330.b3lyp_6-31g(d).qchem.inp (generated)

000637330.b3lyp_6-31g(d).gjf (generated)

000637330.b3lyp_6-31g(d).firefly.inp (generated)

000637330.b3lyp_6-31g(d).smash.inp (generated)

000637330.b3lyp_6-31g(d).nwchem.inp (generated) 000637330.b3lyp_6-31g(d).log.xz 000637330.td-b3lyp_6-31g+(d).inp 000637330.td-b3lyp_6-31g+(d).log.xz

000637330.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637330.td-b3lyp_6-31+g(d).gjf (generated)

000637330.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637330.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637330.mol 000637330.PUBCHEM 000637330.mol (via Jmol)
000637335.b3lyp_6-31g(d).inp

000637335.b3lyp_6-31g(d).qchem.inp (generated)

000637335.b3lyp_6-31g(d).gjf (generated)

000637335.b3lyp_6-31g(d).firefly.inp (generated)

000637335.b3lyp_6-31g(d).smash.inp (generated)

000637335.b3lyp_6-31g(d).nwchem.inp (generated) 000637335.b3lyp_6-31g(d).log.xz 000637335.td-b3lyp_6-31g+(d).inp 000637335.td-b3lyp_6-31g+(d).log.xz

000637335.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637335.td-b3lyp_6-31+g(d).gjf (generated)

000637335.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637335.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637335.mol 000637335.PUBCHEM 000637335.mol (via Jmol)
000637336.b3lyp_6-31g(d).inp

000637336.b3lyp_6-31g(d).qchem.inp (generated)

000637336.b3lyp_6-31g(d).gjf (generated)

000637336.b3lyp_6-31g(d).firefly.inp (generated)

000637336.b3lyp_6-31g(d).smash.inp (generated)

000637336.b3lyp_6-31g(d).nwchem.inp (generated) 000637336.b3lyp_6-31g(d).log.xz 000637336.td-b3lyp_6-31g+(d).inp 000637336.td-b3lyp_6-31g+(d).log.xz

000637336.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637336.td-b3lyp_6-31+g(d).gjf (generated)

000637336.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637336.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637336.mol 000637336.PUBCHEM 000637336.mol (via Jmol)
000637337.b3lyp_6-31g(d).inp

000637337.b3lyp_6-31g(d).qchem.inp (generated)

000637337.b3lyp_6-31g(d).gjf (generated)

000637337.b3lyp_6-31g(d).firefly.inp (generated)

000637337.b3lyp_6-31g(d).smash.inp (generated)

000637337.b3lyp_6-31g(d).nwchem.inp (generated) 000637337.b3lyp_6-31g(d).log.xz 000637337.td-b3lyp_6-31g+(d).inp 000637337.td-b3lyp_6-31g+(d).log.xz

000637337.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637337.td-b3lyp_6-31+g(d).gjf (generated)

000637337.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637337.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637337.mol 000637337.PUBCHEM 000637337.mol (via Jmol)
000637339.b3lyp_6-31g(d).inp

000637339.b3lyp_6-31g(d).qchem.inp (generated)

000637339.b3lyp_6-31g(d).gjf (generated)

000637339.b3lyp_6-31g(d).firefly.inp (generated)

000637339.b3lyp_6-31g(d).smash.inp (generated)

000637339.b3lyp_6-31g(d).nwchem.inp (generated) 000637339.b3lyp_6-31g(d).log.xz 000637339.td-b3lyp_6-31g+(d).inp 000637339.td-b3lyp_6-31g+(d).log.xz

000637339.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637339.td-b3lyp_6-31+g(d).gjf (generated)

000637339.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637339.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637339.mol 000637339.PUBCHEM 000637339.mol (via Jmol)
000637340.b3lyp_6-31g(d).inp

000637340.b3lyp_6-31g(d).qchem.inp (generated)

000637340.b3lyp_6-31g(d).gjf (generated)

000637340.b3lyp_6-31g(d).firefly.inp (generated)

000637340.b3lyp_6-31g(d).smash.inp (generated)

000637340.b3lyp_6-31g(d).nwchem.inp (generated) 000637340.b3lyp_6-31g(d).log.xz 000637340.td-b3lyp_6-31g+(d).inp 000637340.td-b3lyp_6-31g+(d).log.xz

000637340.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637340.td-b3lyp_6-31+g(d).gjf (generated)

000637340.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637340.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637340.mol 000637340.PUBCHEM 000637340.mol (via Jmol)
000637341.b3lyp_6-31g(d).inp

000637341.b3lyp_6-31g(d).qchem.inp (generated)

000637341.b3lyp_6-31g(d).gjf (generated)

000637341.b3lyp_6-31g(d).firefly.inp (generated)

000637341.b3lyp_6-31g(d).smash.inp (generated)

000637341.b3lyp_6-31g(d).nwchem.inp (generated) 000637341.b3lyp_6-31g(d).log.xz 000637341.td-b3lyp_6-31g+(d).inp 000637341.td-b3lyp_6-31g+(d).log.xz

000637341.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637341.td-b3lyp_6-31+g(d).gjf (generated)

000637341.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637341.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637341.mol 000637341.PUBCHEM 000637341.mol (via Jmol)
000637342.b3lyp_6-31g(d).inp

000637342.b3lyp_6-31g(d).qchem.inp (generated)

000637342.b3lyp_6-31g(d).gjf (generated)

000637342.b3lyp_6-31g(d).firefly.inp (generated)

000637342.b3lyp_6-31g(d).smash.inp (generated)

000637342.b3lyp_6-31g(d).nwchem.inp (generated) 000637342.b3lyp_6-31g(d).log.xz 000637342.td-b3lyp_6-31g+(d).inp 000637342.td-b3lyp_6-31g+(d).log.xz

000637342.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637342.td-b3lyp_6-31+g(d).gjf (generated)

000637342.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637342.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637342.mol 000637342.PUBCHEM 000637342.mol (via Jmol)
000637344.b3lyp_6-31g(d).inp

000637344.b3lyp_6-31g(d).qchem.inp (generated)

000637344.b3lyp_6-31g(d).gjf (generated)

000637344.b3lyp_6-31g(d).firefly.inp (generated)

000637344.b3lyp_6-31g(d).smash.inp (generated)

000637344.b3lyp_6-31g(d).nwchem.inp (generated) 000637344.b3lyp_6-31g(d).log.xz 000637344.td-b3lyp_6-31g+(d).inp 000637344.td-b3lyp_6-31g+(d).log.xz

000637344.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637344.td-b3lyp_6-31+g(d).gjf (generated)

000637344.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637344.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637344.mol 000637344.PUBCHEM 000637344.mol (via Jmol)
000637346.b3lyp_6-31g(d).inp

000637346.b3lyp_6-31g(d).qchem.inp (generated)

000637346.b3lyp_6-31g(d).gjf (generated)

000637346.b3lyp_6-31g(d).firefly.inp (generated)

000637346.b3lyp_6-31g(d).smash.inp (generated)

000637346.b3lyp_6-31g(d).nwchem.inp (generated) 000637346.b3lyp_6-31g(d).log.xz 000637346.td-b3lyp_6-31g+(d).inp 000637346.td-b3lyp_6-31g+(d).log.xz

000637346.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637346.td-b3lyp_6-31+g(d).gjf (generated)

000637346.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637346.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637346.mol 000637346.PUBCHEM 000637346.mol (via Jmol)
000637348.b3lyp_6-31g(d).inp

000637348.b3lyp_6-31g(d).qchem.inp (generated)

000637348.b3lyp_6-31g(d).gjf (generated)

000637348.b3lyp_6-31g(d).firefly.inp (generated)

000637348.b3lyp_6-31g(d).smash.inp (generated)

000637348.b3lyp_6-31g(d).nwchem.inp (generated) 000637348.b3lyp_6-31g(d).log.xz 000637348.td-b3lyp_6-31g+(d).inp 000637348.td-b3lyp_6-31g+(d).log.xz

000637348.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637348.td-b3lyp_6-31+g(d).gjf (generated)

000637348.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637348.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637348.mol 000637348.PUBCHEM 000637348.mol (via Jmol)
000637352.b3lyp_6-31g(d).inp

000637352.b3lyp_6-31g(d).qchem.inp (generated)

000637352.b3lyp_6-31g(d).gjf (generated)

000637352.b3lyp_6-31g(d).firefly.inp (generated)

000637352.b3lyp_6-31g(d).smash.inp (generated)

000637352.b3lyp_6-31g(d).nwchem.inp (generated) 000637352.b3lyp_6-31g(d).log.xz 000637352.td-b3lyp_6-31g+(d).inp 000637352.td-b3lyp_6-31g+(d).log.xz

000637352.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637352.td-b3lyp_6-31+g(d).gjf (generated)

000637352.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637352.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637352.mol 000637352.PUBCHEM 000637352.mol (via Jmol)
000637353.b3lyp_6-31g(d).inp

000637353.b3lyp_6-31g(d).qchem.inp (generated)

000637353.b3lyp_6-31g(d).gjf (generated)

000637353.b3lyp_6-31g(d).firefly.inp (generated)

000637353.b3lyp_6-31g(d).smash.inp (generated)

000637353.b3lyp_6-31g(d).nwchem.inp (generated) 000637353.b3lyp_6-31g(d).log.xz 000637353.td-b3lyp_6-31g+(d).inp 000637353.td-b3lyp_6-31g+(d).log.xz

000637353.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637353.td-b3lyp_6-31+g(d).gjf (generated)

000637353.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637353.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637353.mol 000637353.PUBCHEM 000637353.mol (via Jmol)
000637354.b3lyp_6-31g(d).inp

000637354.b3lyp_6-31g(d).qchem.inp (generated)

000637354.b3lyp_6-31g(d).gjf (generated)

000637354.b3lyp_6-31g(d).firefly.inp (generated)

000637354.b3lyp_6-31g(d).smash.inp (generated)

000637354.b3lyp_6-31g(d).nwchem.inp (generated) 000637354.b3lyp_6-31g(d).log.xz 000637354.td-b3lyp_6-31g+(d).inp 000637354.td-b3lyp_6-31g+(d).log.xz

000637354.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637354.td-b3lyp_6-31+g(d).gjf (generated)

000637354.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637354.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637354.mol 000637354.PUBCHEM 000637354.mol (via Jmol)
000637356.b3lyp_6-31g(d).inp

000637356.b3lyp_6-31g(d).qchem.inp (generated)

000637356.b3lyp_6-31g(d).gjf (generated)

000637356.b3lyp_6-31g(d).firefly.inp (generated)

000637356.b3lyp_6-31g(d).smash.inp (generated)

000637356.b3lyp_6-31g(d).nwchem.inp (generated) 000637356.b3lyp_6-31g(d).log.xz 000637356.td-b3lyp_6-31g+(d).inp 000637356.td-b3lyp_6-31g+(d).log.xz

000637356.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637356.td-b3lyp_6-31+g(d).gjf (generated)

000637356.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637356.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637356.mol 000637356.PUBCHEM 000637356.mol (via Jmol)
000637357.b3lyp_6-31g(d).inp

000637357.b3lyp_6-31g(d).qchem.inp (generated)

000637357.b3lyp_6-31g(d).gjf (generated)

000637357.b3lyp_6-31g(d).firefly.inp (generated)

000637357.b3lyp_6-31g(d).smash.inp (generated)

000637357.b3lyp_6-31g(d).nwchem.inp (generated) 000637357.b3lyp_6-31g(d).log.xz 000637357.td-b3lyp_6-31g+(d).inp 000637357.td-b3lyp_6-31g+(d).log.xz

000637357.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637357.td-b3lyp_6-31+g(d).gjf (generated)

000637357.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637357.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637357.mol 000637357.PUBCHEM 000637357.mol (via Jmol)
000637358.b3lyp_6-31g(d).inp

000637358.b3lyp_6-31g(d).qchem.inp (generated)

000637358.b3lyp_6-31g(d).gjf (generated)

000637358.b3lyp_6-31g(d).firefly.inp (generated)

000637358.b3lyp_6-31g(d).smash.inp (generated)

000637358.b3lyp_6-31g(d).nwchem.inp (generated) 000637358.b3lyp_6-31g(d).log.xz 000637358.td-b3lyp_6-31g+(d).inp 000637358.td-b3lyp_6-31g+(d).log.xz

000637358.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637358.td-b3lyp_6-31+g(d).gjf (generated)

000637358.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637358.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637358.mol 000637358.PUBCHEM 000637358.mol (via Jmol)
000637360.b3lyp_6-31g(d).inp

000637360.b3lyp_6-31g(d).qchem.inp (generated)

000637360.b3lyp_6-31g(d).gjf (generated)

000637360.b3lyp_6-31g(d).firefly.inp (generated)

000637360.b3lyp_6-31g(d).smash.inp (generated)

000637360.b3lyp_6-31g(d).nwchem.inp (generated) 000637360.b3lyp_6-31g(d).log.xz 000637360.mol 000637360.PUBCHEM 000637360.mol (via Jmol)
000637361.b3lyp_6-31g(d).inp

000637361.b3lyp_6-31g(d).qchem.inp (generated)

000637361.b3lyp_6-31g(d).gjf (generated)

000637361.b3lyp_6-31g(d).firefly.inp (generated)

000637361.b3lyp_6-31g(d).smash.inp (generated)

000637361.b3lyp_6-31g(d).nwchem.inp (generated) 000637361.b3lyp_6-31g(d).log.xz 000637361.td-b3lyp_6-31g+(d).inp 000637361.td-b3lyp_6-31g+(d).log.xz

000637361.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637361.td-b3lyp_6-31+g(d).gjf (generated)

000637361.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637361.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637361.mol 000637361.PUBCHEM 000637361.mol (via Jmol)
000637362.b3lyp_6-31g(d).inp

000637362.b3lyp_6-31g(d).qchem.inp (generated)

000637362.b3lyp_6-31g(d).gjf (generated)

000637362.b3lyp_6-31g(d).firefly.inp (generated)

000637362.b3lyp_6-31g(d).smash.inp (generated)

000637362.b3lyp_6-31g(d).nwchem.inp (generated) 000637362.b3lyp_6-31g(d).log.xz 000637362.mol 000637362.PUBCHEM 000637362.mol (via Jmol)
000637364.b3lyp_6-31g(d).inp

000637364.b3lyp_6-31g(d).qchem.inp (generated)

000637364.b3lyp_6-31g(d).gjf (generated)

000637364.b3lyp_6-31g(d).firefly.inp (generated)

000637364.b3lyp_6-31g(d).smash.inp (generated)

000637364.b3lyp_6-31g(d).nwchem.inp (generated) 000637364.b3lyp_6-31g(d).log.xz 000637364.td-b3lyp_6-31g+(d).inp 000637364.td-b3lyp_6-31g+(d).log.xz

000637364.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637364.td-b3lyp_6-31+g(d).gjf (generated)

000637364.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637364.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637364.mol 000637364.PUBCHEM 000637364.mol (via Jmol)
000637365.b3lyp_6-31g(d).inp

000637365.b3lyp_6-31g(d).qchem.inp (generated)

000637365.b3lyp_6-31g(d).gjf (generated)

000637365.b3lyp_6-31g(d).firefly.inp (generated)

000637365.b3lyp_6-31g(d).smash.inp (generated)

000637365.b3lyp_6-31g(d).nwchem.inp (generated) 000637365.b3lyp_6-31g(d).log.xz 000637365.td-b3lyp_6-31g+(d).inp 000637365.td-b3lyp_6-31g+(d).log.xz

000637365.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637365.td-b3lyp_6-31+g(d).gjf (generated)

000637365.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637365.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637365.mol 000637365.PUBCHEM 000637365.mol (via Jmol)
000637366.b3lyp_6-31g(d).inp

000637366.b3lyp_6-31g(d).qchem.inp (generated)

000637366.b3lyp_6-31g(d).gjf (generated)

000637366.b3lyp_6-31g(d).firefly.inp (generated)

000637366.b3lyp_6-31g(d).smash.inp (generated)

000637366.b3lyp_6-31g(d).nwchem.inp (generated) 000637366.b3lyp_6-31g(d).log.xz 000637366.td-b3lyp_6-31g+(d).inp 000637366.td-b3lyp_6-31g+(d).log.xz

000637366.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637366.td-b3lyp_6-31+g(d).gjf (generated)

000637366.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637366.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637366.mol 000637366.PUBCHEM 000637366.mol (via Jmol)
000637367.b3lyp_6-31g(d).inp

000637367.b3lyp_6-31g(d).qchem.inp (generated)

000637367.b3lyp_6-31g(d).gjf (generated)

000637367.b3lyp_6-31g(d).firefly.inp (generated)

000637367.b3lyp_6-31g(d).smash.inp (generated)

000637367.b3lyp_6-31g(d).nwchem.inp (generated) 000637367.b3lyp_6-31g(d).log.xz 000637367.td-b3lyp_6-31g+(d).inp 000637367.td-b3lyp_6-31g+(d).log.xz

000637367.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637367.td-b3lyp_6-31+g(d).gjf (generated)

000637367.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637367.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637367.mol 000637367.PUBCHEM 000637367.mol (via Jmol)
000637369.b3lyp_6-31g(d).inp

000637369.b3lyp_6-31g(d).qchem.inp (generated)

000637369.b3lyp_6-31g(d).gjf (generated)

000637369.b3lyp_6-31g(d).firefly.inp (generated)

000637369.b3lyp_6-31g(d).smash.inp (generated)

000637369.b3lyp_6-31g(d).nwchem.inp (generated) 000637369.b3lyp_6-31g(d).log.xz 000637369.td-b3lyp_6-31g+(d).inp 000637369.td-b3lyp_6-31g+(d).log.xz

000637369.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637369.td-b3lyp_6-31+g(d).gjf (generated)

000637369.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637369.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637369.mol 000637369.PUBCHEM 000637369.mol (via Jmol)
000637370.b3lyp_6-31g(d).inp

000637370.b3lyp_6-31g(d).qchem.inp (generated)

000637370.b3lyp_6-31g(d).gjf (generated)

000637370.b3lyp_6-31g(d).firefly.inp (generated)

000637370.b3lyp_6-31g(d).smash.inp (generated)

000637370.b3lyp_6-31g(d).nwchem.inp (generated) 000637370.b3lyp_6-31g(d).log.xz 000637370.td-b3lyp_6-31g+(d).inp 000637370.td-b3lyp_6-31g+(d).log.xz

000637370.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637370.td-b3lyp_6-31+g(d).gjf (generated)

000637370.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637370.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637370.mol 000637370.PUBCHEM 000637370.mol (via Jmol)
000637372.b3lyp_6-31g(d).inp

000637372.b3lyp_6-31g(d).qchem.inp (generated)

000637372.b3lyp_6-31g(d).gjf (generated)

000637372.b3lyp_6-31g(d).firefly.inp (generated)

000637372.b3lyp_6-31g(d).smash.inp (generated)

000637372.b3lyp_6-31g(d).nwchem.inp (generated) 000637372.b3lyp_6-31g(d).log.xz 000637372.td-b3lyp_6-31g+(d).inp 000637372.td-b3lyp_6-31g+(d).log.xz

000637372.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637372.td-b3lyp_6-31+g(d).gjf (generated)

000637372.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637372.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637372.mol 000637372.PUBCHEM 000637372.mol (via Jmol)
000637374.b3lyp_6-31g(d).inp

000637374.b3lyp_6-31g(d).qchem.inp (generated)

000637374.b3lyp_6-31g(d).gjf (generated)

000637374.b3lyp_6-31g(d).firefly.inp (generated)

000637374.b3lyp_6-31g(d).smash.inp (generated)

000637374.b3lyp_6-31g(d).nwchem.inp (generated) 000637374.b3lyp_6-31g(d).log.xz 000637374.td-b3lyp_6-31g+(d).inp 000637374.td-b3lyp_6-31g+(d).log.xz

000637374.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637374.td-b3lyp_6-31+g(d).gjf (generated)

000637374.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637374.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637374.mol 000637374.PUBCHEM 000637374.mol (via Jmol)
000637385.b3lyp_6-31g(d).inp

000637385.b3lyp_6-31g(d).qchem.inp (generated)

000637385.b3lyp_6-31g(d).gjf (generated)

000637385.b3lyp_6-31g(d).firefly.inp (generated)

000637385.b3lyp_6-31g(d).smash.inp (generated)

000637385.b3lyp_6-31g(d).nwchem.inp (generated) 000637385.b3lyp_6-31g(d).log.xz 000637385.mol 000637385.PUBCHEM 000637385.mol (via Jmol)
000637415.b3lyp_6-31g(d).inp

000637415.b3lyp_6-31g(d).qchem.inp (generated)

000637415.b3lyp_6-31g(d).gjf (generated)

000637415.b3lyp_6-31g(d).firefly.inp (generated)

000637415.b3lyp_6-31g(d).smash.inp (generated)

000637415.b3lyp_6-31g(d).nwchem.inp (generated) 000637415.b3lyp_6-31g(d).log.xz 000637415.td-b3lyp_6-31g+(d).inp 000637415.td-b3lyp_6-31g+(d).log.xz

000637415.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637415.td-b3lyp_6-31+g(d).gjf (generated)

000637415.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637415.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637415.mol 000637415.PUBCHEM 000637415.mol (via Jmol)
000637451.b3lyp_6-31g(d).inp

000637451.b3lyp_6-31g(d).qchem.inp (generated)

000637451.b3lyp_6-31g(d).gjf (generated)

000637451.b3lyp_6-31g(d).firefly.inp (generated)

000637451.b3lyp_6-31g(d).smash.inp (generated)

000637451.b3lyp_6-31g(d).nwchem.inp (generated) 000637451.b3lyp_6-31g(d).log.xz 000637451.mol 000637451.PUBCHEM 000637451.mol (via Jmol)
000637460.b3lyp_6-31g(d).inp

000637460.b3lyp_6-31g(d).qchem.inp (generated)

000637460.b3lyp_6-31g(d).gjf (generated)

000637460.b3lyp_6-31g(d).firefly.inp (generated)

000637460.b3lyp_6-31g(d).smash.inp (generated)

000637460.b3lyp_6-31g(d).nwchem.inp (generated) 000637460.b3lyp_6-31g(d).log.xz 000637460.td-b3lyp_6-31g+(d).inp 000637460.td-b3lyp_6-31g+(d).log.xz

000637460.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637460.td-b3lyp_6-31+g(d).gjf (generated)

000637460.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637460.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637460.mol 000637460.PUBCHEM 000637460.mol (via Jmol)
000637473.b3lyp_6-31g(d).inp

000637473.b3lyp_6-31g(d).qchem.inp (generated)

000637473.b3lyp_6-31g(d).gjf (generated)

000637473.b3lyp_6-31g(d).firefly.inp (generated)

000637473.b3lyp_6-31g(d).smash.inp (generated)

000637473.b3lyp_6-31g(d).nwchem.inp (generated) 000637473.b3lyp_6-31g(d).log.xz 000637473.mol 000637473.PUBCHEM 000637473.mol (via Jmol)
000637486.b3lyp_6-31g(d).inp

000637486.b3lyp_6-31g(d).qchem.inp (generated)

000637486.b3lyp_6-31g(d).gjf (generated)

000637486.b3lyp_6-31g(d).firefly.inp (generated)

000637486.b3lyp_6-31g(d).smash.inp (generated)

000637486.b3lyp_6-31g(d).nwchem.inp (generated) 000637486.b3lyp_6-31g(d).log.xz 000637486.td-b3lyp_6-31g+(d).inp 000637486.td-b3lyp_6-31g+(d).log.xz

000637486.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637486.td-b3lyp_6-31+g(d).gjf (generated)

000637486.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637486.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637486.mol 000637486.PUBCHEM 000637486.mol (via Jmol)
000637495.b3lyp_6-31g(d).inp

000637495.b3lyp_6-31g(d).qchem.inp (generated)

000637495.b3lyp_6-31g(d).gjf (generated)

000637495.b3lyp_6-31g(d).firefly.inp (generated)

000637495.b3lyp_6-31g(d).smash.inp (generated)

000637495.b3lyp_6-31g(d).nwchem.inp (generated) 000637495.b3lyp_6-31g(d).log.xz 000637495.td-b3lyp_6-31g+(d).inp 000637495.td-b3lyp_6-31g+(d).log.xz

000637495.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637495.td-b3lyp_6-31+g(d).gjf (generated)

000637495.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637495.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637495.mol 000637495.PUBCHEM 000637495.mol (via Jmol)
000637496.b3lyp_6-31g(d).inp

000637496.b3lyp_6-31g(d).qchem.inp (generated)

000637496.b3lyp_6-31g(d).gjf (generated)

000637496.b3lyp_6-31g(d).firefly.inp (generated)

000637496.b3lyp_6-31g(d).smash.inp (generated)

000637496.b3lyp_6-31g(d).nwchem.inp (generated) 000637496.b3lyp_6-31g(d).log.xz 000637496.td-b3lyp_6-31g+(d).inp 000637496.td-b3lyp_6-31g+(d).log.xz

000637496.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637496.td-b3lyp_6-31+g(d).gjf (generated)

000637496.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637496.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637496.mol 000637496.PUBCHEM 000637496.mol (via Jmol)
000637497.b3lyp_6-31g(d).inp

000637497.b3lyp_6-31g(d).qchem.inp (generated)

000637497.b3lyp_6-31g(d).gjf (generated)

000637497.b3lyp_6-31g(d).firefly.inp (generated)

000637497.b3lyp_6-31g(d).smash.inp (generated)

000637497.b3lyp_6-31g(d).nwchem.inp (generated) 000637497.b3lyp_6-31g(d).log.xz 000637497.td-b3lyp_6-31g+(d).inp 000637497.td-b3lyp_6-31g+(d).log.xz

000637497.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637497.td-b3lyp_6-31+g(d).gjf (generated)

000637497.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637497.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637497.mol 000637497.PUBCHEM 000637497.mol (via Jmol)
000637498.b3lyp_6-31g(d).inp

000637498.b3lyp_6-31g(d).qchem.inp (generated)

000637498.b3lyp_6-31g(d).gjf (generated)

000637498.b3lyp_6-31g(d).firefly.inp (generated)

000637498.b3lyp_6-31g(d).smash.inp (generated)

000637498.b3lyp_6-31g(d).nwchem.inp (generated) 000637498.b3lyp_6-31g(d).log.xz 000637498.td-b3lyp_6-31g+(d).inp 000637498.td-b3lyp_6-31g+(d).log.xz

000637498.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637498.td-b3lyp_6-31+g(d).gjf (generated)

000637498.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637498.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637498.mol 000637498.PUBCHEM 000637498.mol (via Jmol)
000637499.b3lyp_6-31g(d).inp

000637499.b3lyp_6-31g(d).qchem.inp (generated)

000637499.b3lyp_6-31g(d).gjf (generated)

000637499.b3lyp_6-31g(d).firefly.inp (generated)

000637499.b3lyp_6-31g(d).smash.inp (generated)

000637499.b3lyp_6-31g(d).nwchem.inp (generated) 000637499.b3lyp_6-31g(d).log.xz 000637499.td-b3lyp_6-31g+(d).inp 000637499.td-b3lyp_6-31g+(d).log.xz

000637499.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637499.td-b3lyp_6-31+g(d).gjf (generated)

000637499.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637499.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637499.mol 000637499.PUBCHEM 000637499.mol (via Jmol)
000637500.b3lyp_6-31g(d).inp

000637500.b3lyp_6-31g(d).qchem.inp (generated)

000637500.b3lyp_6-31g(d).gjf (generated)

000637500.b3lyp_6-31g(d).firefly.inp (generated)

000637500.b3lyp_6-31g(d).smash.inp (generated)

000637500.b3lyp_6-31g(d).nwchem.inp (generated) 000637500.b3lyp_6-31g(d).log.xz 000637500.td-b3lyp_6-31g+(d).inp 000637500.td-b3lyp_6-31g+(d).log.xz

000637500.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637500.td-b3lyp_6-31+g(d).gjf (generated)

000637500.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637500.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637500.mol 000637500.PUBCHEM 000637500.mol (via Jmol)
000637501.b3lyp_6-31g(d).inp

000637501.b3lyp_6-31g(d).qchem.inp (generated)

000637501.b3lyp_6-31g(d).gjf (generated)

000637501.b3lyp_6-31g(d).firefly.inp (generated)

000637501.b3lyp_6-31g(d).smash.inp (generated)

000637501.b3lyp_6-31g(d).nwchem.inp (generated) 000637501.b3lyp_6-31g(d).log.xz 000637501.td-b3lyp_6-31g+(d).inp 000637501.td-b3lyp_6-31g+(d).log.xz

000637501.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637501.td-b3lyp_6-31+g(d).gjf (generated)

000637501.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637501.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637501.mol 000637501.PUBCHEM 000637501.mol (via Jmol)
000637502.b3lyp_6-31g(d).inp

000637502.b3lyp_6-31g(d).qchem.inp (generated)

000637502.b3lyp_6-31g(d).gjf (generated)

000637502.b3lyp_6-31g(d).firefly.inp (generated)

000637502.b3lyp_6-31g(d).smash.inp (generated)

000637502.b3lyp_6-31g(d).nwchem.inp (generated) 000637502.b3lyp_6-31g(d).log.xz 000637502.td-b3lyp_6-31g+(d).inp 000637502.td-b3lyp_6-31g+(d).log.xz

000637502.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637502.td-b3lyp_6-31+g(d).gjf (generated)

000637502.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637502.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637502.mol 000637502.PUBCHEM 000637502.mol (via Jmol)
000637503.b3lyp_6-31g(d).inp

000637503.b3lyp_6-31g(d).qchem.inp (generated)

000637503.b3lyp_6-31g(d).gjf (generated)

000637503.b3lyp_6-31g(d).firefly.inp (generated)

000637503.b3lyp_6-31g(d).smash.inp (generated)

000637503.b3lyp_6-31g(d).nwchem.inp (generated) 000637503.b3lyp_6-31g(d).log.xz 000637503.td-b3lyp_6-31g+(d).inp 000637503.td-b3lyp_6-31g+(d).log.xz

000637503.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637503.td-b3lyp_6-31+g(d).gjf (generated)

000637503.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637503.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637503.mol 000637503.PUBCHEM 000637503.mol (via Jmol)
000637504.b3lyp_6-31g(d).inp

000637504.b3lyp_6-31g(d).qchem.inp (generated)

000637504.b3lyp_6-31g(d).gjf (generated)

000637504.b3lyp_6-31g(d).firefly.inp (generated)

000637504.b3lyp_6-31g(d).smash.inp (generated)

000637504.b3lyp_6-31g(d).nwchem.inp (generated) 000637504.b3lyp_6-31g(d).log.xz 000637504.td-b3lyp_6-31g+(d).inp 000637504.td-b3lyp_6-31g+(d).log.xz

000637504.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637504.td-b3lyp_6-31+g(d).gjf (generated)

000637504.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637504.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637504.mol 000637504.PUBCHEM 000637504.mol (via Jmol)
000637505.b3lyp_6-31g(d).inp

000637505.b3lyp_6-31g(d).qchem.inp (generated)

000637505.b3lyp_6-31g(d).gjf (generated)

000637505.b3lyp_6-31g(d).firefly.inp (generated)

000637505.b3lyp_6-31g(d).smash.inp (generated)

000637505.b3lyp_6-31g(d).nwchem.inp (generated) 000637505.b3lyp_6-31g(d).log.xz 000637505.td-b3lyp_6-31g+(d).inp 000637505.td-b3lyp_6-31g+(d).log.xz

000637505.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637505.td-b3lyp_6-31+g(d).gjf (generated)

000637505.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637505.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637505.mol 000637505.PUBCHEM 000637505.mol (via Jmol)
000637507.b3lyp_6-31g(d).inp

000637507.b3lyp_6-31g(d).qchem.inp (generated)

000637507.b3lyp_6-31g(d).gjf (generated)

000637507.b3lyp_6-31g(d).firefly.inp (generated)

000637507.b3lyp_6-31g(d).smash.inp (generated)

000637507.b3lyp_6-31g(d).nwchem.inp (generated) 000637507.b3lyp_6-31g(d).log.xz 000637507.td-b3lyp_6-31g+(d).inp 000637507.td-b3lyp_6-31g+(d).log.xz

000637507.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637507.td-b3lyp_6-31+g(d).gjf (generated)

000637507.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637507.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637507.mol 000637507.PUBCHEM 000637507.mol (via Jmol)
000637509.b3lyp_6-31g(d).inp

000637509.b3lyp_6-31g(d).qchem.inp (generated)

000637509.b3lyp_6-31g(d).gjf (generated)

000637509.b3lyp_6-31g(d).firefly.inp (generated)

000637509.b3lyp_6-31g(d).smash.inp (generated)

000637509.b3lyp_6-31g(d).nwchem.inp (generated) 000637509.b3lyp_6-31g(d).log.xz 000637509.td-b3lyp_6-31g+(d).inp 000637509.td-b3lyp_6-31g+(d).log.xz

000637509.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637509.td-b3lyp_6-31+g(d).gjf (generated)

000637509.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637509.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637509.mol 000637509.PUBCHEM 000637509.mol (via Jmol)
000637510.b3lyp_6-31g(d).inp

000637510.b3lyp_6-31g(d).qchem.inp (generated)

000637510.b3lyp_6-31g(d).gjf (generated)

000637510.b3lyp_6-31g(d).firefly.inp (generated)

000637510.b3lyp_6-31g(d).smash.inp (generated)

000637510.b3lyp_6-31g(d).nwchem.inp (generated) 000637510.b3lyp_6-31g(d).log.xz 000637510.td-b3lyp_6-31g+(d).inp 000637510.td-b3lyp_6-31g+(d).log.xz

000637510.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637510.td-b3lyp_6-31+g(d).gjf (generated)

000637510.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637510.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637510.mol 000637510.PUBCHEM 000637510.mol (via Jmol)
000637511.b3lyp_6-31g(d).inp

000637511.b3lyp_6-31g(d).qchem.inp (generated)

000637511.b3lyp_6-31g(d).gjf (generated)

000637511.b3lyp_6-31g(d).firefly.inp (generated)

000637511.b3lyp_6-31g(d).smash.inp (generated)

000637511.b3lyp_6-31g(d).nwchem.inp (generated) 000637511.b3lyp_6-31g(d).log.xz 000637511.td-b3lyp_6-31g+(d).inp 000637511.td-b3lyp_6-31g+(d).log.xz

000637511.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637511.td-b3lyp_6-31+g(d).gjf (generated)

000637511.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637511.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637511.mol 000637511.PUBCHEM 000637511.mol (via Jmol)
000637512.b3lyp_6-31g(d).inp

000637512.b3lyp_6-31g(d).qchem.inp (generated)

000637512.b3lyp_6-31g(d).gjf (generated)

000637512.b3lyp_6-31g(d).firefly.inp (generated)

000637512.b3lyp_6-31g(d).smash.inp (generated)

000637512.b3lyp_6-31g(d).nwchem.inp (generated) 000637512.b3lyp_6-31g(d).log.xz 000637512.td-b3lyp_6-31g+(d).inp 000637512.td-b3lyp_6-31g+(d).log.xz

000637512.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637512.td-b3lyp_6-31+g(d).gjf (generated)

000637512.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637512.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637512.mol 000637512.PUBCHEM 000637512.mol (via Jmol)
000637514.b3lyp_6-31g(d).inp

000637514.b3lyp_6-31g(d).qchem.inp (generated)

000637514.b3lyp_6-31g(d).gjf (generated)

000637514.b3lyp_6-31g(d).firefly.inp (generated)

000637514.b3lyp_6-31g(d).smash.inp (generated)

000637514.b3lyp_6-31g(d).nwchem.inp (generated) 000637514.b3lyp_6-31g(d).log.xz 000637514.td-b3lyp_6-31g+(d).inp 000637514.td-b3lyp_6-31g+(d).log.xz

000637514.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637514.td-b3lyp_6-31+g(d).gjf (generated)

000637514.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637514.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637514.mol 000637514.PUBCHEM 000637514.mol (via Jmol)
000637515.b3lyp_6-31g(d).inp

000637515.b3lyp_6-31g(d).qchem.inp (generated)

000637515.b3lyp_6-31g(d).gjf (generated)

000637515.b3lyp_6-31g(d).firefly.inp (generated)

000637515.b3lyp_6-31g(d).smash.inp (generated)

000637515.b3lyp_6-31g(d).nwchem.inp (generated) 000637515.b3lyp_6-31g(d).log.xz 000637515.td-b3lyp_6-31g+(d).inp 000637515.td-b3lyp_6-31g+(d).log.xz

000637515.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637515.td-b3lyp_6-31+g(d).gjf (generated)

000637515.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637515.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637515.mol 000637515.PUBCHEM 000637515.mol (via Jmol)
000637516.b3lyp_6-31g(d).inp

000637516.b3lyp_6-31g(d).qchem.inp (generated)

000637516.b3lyp_6-31g(d).gjf (generated)

000637516.b3lyp_6-31g(d).firefly.inp (generated)

000637516.b3lyp_6-31g(d).smash.inp (generated)

000637516.b3lyp_6-31g(d).nwchem.inp (generated) 000637516.b3lyp_6-31g(d).log.xz 000637516.td-b3lyp_6-31g+(d).inp 000637516.td-b3lyp_6-31g+(d).log.xz

000637516.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637516.td-b3lyp_6-31+g(d).gjf (generated)

000637516.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637516.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637516.mol 000637516.PUBCHEM 000637516.mol (via Jmol)
000637518.b3lyp_6-31g(d).inp

000637518.b3lyp_6-31g(d).qchem.inp (generated)

000637518.b3lyp_6-31g(d).gjf (generated)

000637518.b3lyp_6-31g(d).firefly.inp (generated)

000637518.b3lyp_6-31g(d).smash.inp (generated)

000637518.b3lyp_6-31g(d).nwchem.inp (generated) 000637518.b3lyp_6-31g(d).log.xz 000637518.td-b3lyp_6-31g+(d).inp 000637518.td-b3lyp_6-31g+(d).log.xz

000637518.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637518.td-b3lyp_6-31+g(d).gjf (generated)

000637518.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637518.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637518.mol 000637518.PUBCHEM 000637518.mol (via Jmol)
000637519.b3lyp_6-31g(d).inp

000637519.b3lyp_6-31g(d).qchem.inp (generated)

000637519.b3lyp_6-31g(d).gjf (generated)

000637519.b3lyp_6-31g(d).firefly.inp (generated)

000637519.b3lyp_6-31g(d).smash.inp (generated)

000637519.b3lyp_6-31g(d).nwchem.inp (generated) 000637519.b3lyp_6-31g(d).log.xz 000637519.td-b3lyp_6-31g+(d).inp 000637519.td-b3lyp_6-31g+(d).log.xz

000637519.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637519.td-b3lyp_6-31+g(d).gjf (generated)

000637519.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637519.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637519.mol 000637519.PUBCHEM 000637519.mol (via Jmol)
000637520.b3lyp_6-31g(d).inp

000637520.b3lyp_6-31g(d).qchem.inp (generated)

000637520.b3lyp_6-31g(d).gjf (generated)

000637520.b3lyp_6-31g(d).firefly.inp (generated)

000637520.b3lyp_6-31g(d).smash.inp (generated)

000637520.b3lyp_6-31g(d).nwchem.inp (generated) 000637520.b3lyp_6-31g(d).log.xz 000637520.td-b3lyp_6-31g+(d).inp 000637520.td-b3lyp_6-31g+(d).log.xz

000637520.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637520.td-b3lyp_6-31+g(d).gjf (generated)

000637520.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637520.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637520.mol 000637520.PUBCHEM 000637520.mol (via Jmol)
000637521.b3lyp_6-31g(d).inp

000637521.b3lyp_6-31g(d).qchem.inp (generated)

000637521.b3lyp_6-31g(d).gjf (generated)

000637521.b3lyp_6-31g(d).firefly.inp (generated)

000637521.b3lyp_6-31g(d).smash.inp (generated)

000637521.b3lyp_6-31g(d).nwchem.inp (generated) 000637521.b3lyp_6-31g(d).log.xz 000637521.td-b3lyp_6-31g+(d).inp 000637521.td-b3lyp_6-31g+(d).log.xz

000637521.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637521.td-b3lyp_6-31+g(d).gjf (generated)

000637521.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637521.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637521.mol 000637521.PUBCHEM 000637521.mol (via Jmol)
000637523.b3lyp_6-31g(d).inp

000637523.b3lyp_6-31g(d).qchem.inp (generated)

000637523.b3lyp_6-31g(d).gjf (generated)

000637523.b3lyp_6-31g(d).firefly.inp (generated)

000637523.b3lyp_6-31g(d).smash.inp (generated)

000637523.b3lyp_6-31g(d).nwchem.inp (generated) 000637523.b3lyp_6-31g(d).log.xz 000637523.td-b3lyp_6-31g+(d).inp 000637523.td-b3lyp_6-31g+(d).log.xz

000637523.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637523.td-b3lyp_6-31+g(d).gjf (generated)

000637523.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637523.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637523.mol 000637523.PUBCHEM 000637523.mol (via Jmol)
000637524.b3lyp_6-31g(d).inp

000637524.b3lyp_6-31g(d).qchem.inp (generated)

000637524.b3lyp_6-31g(d).gjf (generated)

000637524.b3lyp_6-31g(d).firefly.inp (generated)

000637524.b3lyp_6-31g(d).smash.inp (generated)

000637524.b3lyp_6-31g(d).nwchem.inp (generated) 000637524.b3lyp_6-31g(d).log.xz 000637524.td-b3lyp_6-31g+(d).inp 000637524.td-b3lyp_6-31g+(d).log.xz

000637524.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637524.td-b3lyp_6-31+g(d).gjf (generated)

000637524.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637524.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637524.mol 000637524.PUBCHEM 000637524.mol (via Jmol)
000637525.b3lyp_6-31g(d).inp

000637525.b3lyp_6-31g(d).qchem.inp (generated)

000637525.b3lyp_6-31g(d).gjf (generated)

000637525.b3lyp_6-31g(d).firefly.inp (generated)

000637525.b3lyp_6-31g(d).smash.inp (generated)

000637525.b3lyp_6-31g(d).nwchem.inp (generated) 000637525.b3lyp_6-31g(d).log.xz 000637525.td-b3lyp_6-31g+(d).inp 000637525.td-b3lyp_6-31g+(d).log.xz

000637525.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637525.td-b3lyp_6-31+g(d).gjf (generated)

000637525.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637525.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637525.mol 000637525.PUBCHEM 000637525.mol (via Jmol)
000637527.b3lyp_6-31g(d).inp

000637527.b3lyp_6-31g(d).qchem.inp (generated)

000637527.b3lyp_6-31g(d).gjf (generated)

000637527.b3lyp_6-31g(d).firefly.inp (generated)

000637527.b3lyp_6-31g(d).smash.inp (generated)

000637527.b3lyp_6-31g(d).nwchem.inp (generated) 000637527.b3lyp_6-31g(d).log.xz 000637527.td-b3lyp_6-31g+(d).inp 000637527.td-b3lyp_6-31g+(d).log.xz

000637527.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637527.td-b3lyp_6-31+g(d).gjf (generated)

000637527.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637527.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637527.mol 000637527.PUBCHEM 000637527.mol (via Jmol)
000637528.b3lyp_6-31g(d).inp

000637528.b3lyp_6-31g(d).qchem.inp (generated)

000637528.b3lyp_6-31g(d).gjf (generated)

000637528.b3lyp_6-31g(d).firefly.inp (generated)

000637528.b3lyp_6-31g(d).smash.inp (generated)

000637528.b3lyp_6-31g(d).nwchem.inp (generated) 000637528.b3lyp_6-31g(d).log.xz 000637528.td-b3lyp_6-31g+(d).inp 000637528.td-b3lyp_6-31g+(d).log.xz

000637528.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637528.td-b3lyp_6-31+g(d).gjf (generated)

000637528.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637528.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637528.mol 000637528.PUBCHEM 000637528.mol (via Jmol)
000637529.b3lyp_6-31g(d).inp

000637529.b3lyp_6-31g(d).qchem.inp (generated)

000637529.b3lyp_6-31g(d).gjf (generated)

000637529.b3lyp_6-31g(d).firefly.inp (generated)

000637529.b3lyp_6-31g(d).smash.inp (generated)

000637529.b3lyp_6-31g(d).nwchem.inp (generated) 000637529.b3lyp_6-31g(d).log.xz 000637529.td-b3lyp_6-31g+(d).inp 000637529.td-b3lyp_6-31g+(d).log.xz

000637529.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637529.td-b3lyp_6-31+g(d).gjf (generated)

000637529.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637529.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637529.mol 000637529.PUBCHEM 000637529.mol (via Jmol)
000637530.b3lyp_6-31g(d).inp

000637530.b3lyp_6-31g(d).qchem.inp (generated)

000637530.b3lyp_6-31g(d).gjf (generated)

000637530.b3lyp_6-31g(d).firefly.inp (generated)

000637530.b3lyp_6-31g(d).smash.inp (generated)

000637530.b3lyp_6-31g(d).nwchem.inp (generated) 000637530.b3lyp_6-31g(d).log.xz 000637530.td-b3lyp_6-31g+(d).inp 000637530.td-b3lyp_6-31g+(d).log.xz

000637530.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637530.td-b3lyp_6-31+g(d).gjf (generated)

000637530.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637530.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637530.mol 000637530.PUBCHEM 000637530.mol (via Jmol)
000637531.b3lyp_6-31g(d).inp

000637531.b3lyp_6-31g(d).qchem.inp (generated)

000637531.b3lyp_6-31g(d).gjf (generated)

000637531.b3lyp_6-31g(d).firefly.inp (generated)

000637531.b3lyp_6-31g(d).smash.inp (generated)

000637531.b3lyp_6-31g(d).nwchem.inp (generated) 000637531.b3lyp_6-31g(d).log.xz 000637531.td-b3lyp_6-31g+(d).inp 000637531.td-b3lyp_6-31g+(d).log.xz

000637531.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637531.td-b3lyp_6-31+g(d).gjf (generated)

000637531.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637531.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637531.mol 000637531.PUBCHEM 000637531.mol (via Jmol)
000637532.b3lyp_6-31g(d).inp

000637532.b3lyp_6-31g(d).qchem.inp (generated)

000637532.b3lyp_6-31g(d).gjf (generated)

000637532.b3lyp_6-31g(d).firefly.inp (generated)

000637532.b3lyp_6-31g(d).smash.inp (generated)

000637532.b3lyp_6-31g(d).nwchem.inp (generated) 000637532.b3lyp_6-31g(d).log.xz 000637532.td-b3lyp_6-31g+(d).inp 000637532.td-b3lyp_6-31g+(d).log.xz

000637532.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637532.td-b3lyp_6-31+g(d).gjf (generated)

000637532.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637532.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637532.mol 000637532.PUBCHEM 000637532.mol (via Jmol)
000637533.b3lyp_6-31g(d).inp

000637533.b3lyp_6-31g(d).qchem.inp (generated)

000637533.b3lyp_6-31g(d).gjf (generated)

000637533.b3lyp_6-31g(d).firefly.inp (generated)

000637533.b3lyp_6-31g(d).smash.inp (generated)

000637533.b3lyp_6-31g(d).nwchem.inp (generated) 000637533.b3lyp_6-31g(d).log.xz 000637533.mol 000637533.PUBCHEM 000637533.mol (via Jmol)
000637534.b3lyp_6-31g(d).inp

000637534.b3lyp_6-31g(d).qchem.inp (generated)

000637534.b3lyp_6-31g(d).gjf (generated)

000637534.b3lyp_6-31g(d).firefly.inp (generated)

000637534.b3lyp_6-31g(d).smash.inp (generated)

000637534.b3lyp_6-31g(d).nwchem.inp (generated) 000637534.b3lyp_6-31g(d).log.xz 000637534.td-b3lyp_6-31g+(d).inp 000637534.td-b3lyp_6-31g+(d).log.xz

000637534.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637534.td-b3lyp_6-31+g(d).gjf (generated)

000637534.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637534.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637534.mol 000637534.PUBCHEM 000637534.mol (via Jmol)
000637537.b3lyp_6-31g(d).inp

000637537.b3lyp_6-31g(d).qchem.inp (generated)

000637537.b3lyp_6-31g(d).gjf (generated)

000637537.b3lyp_6-31g(d).firefly.inp (generated)

000637537.b3lyp_6-31g(d).smash.inp (generated)

000637537.b3lyp_6-31g(d).nwchem.inp (generated) 000637537.b3lyp_6-31g(d).log.xz 000637537.td-b3lyp_6-31g+(d).inp 000637537.td-b3lyp_6-31g+(d).log.xz

000637537.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637537.td-b3lyp_6-31+g(d).gjf (generated)

000637537.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637537.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637537.mol 000637537.PUBCHEM 000637537.mol (via Jmol)
000637538.b3lyp_6-31g(d).inp

000637538.b3lyp_6-31g(d).qchem.inp (generated)

000637538.b3lyp_6-31g(d).gjf (generated)

000637538.b3lyp_6-31g(d).firefly.inp (generated)

000637538.b3lyp_6-31g(d).smash.inp (generated)

000637538.b3lyp_6-31g(d).nwchem.inp (generated) 000637538.b3lyp_6-31g(d).log.xz 000637538.td-b3lyp_6-31g+(d).inp 000637538.td-b3lyp_6-31g+(d).log.xz

000637538.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637538.td-b3lyp_6-31+g(d).gjf (generated)

000637538.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637538.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637538.mol 000637538.PUBCHEM 000637538.mol (via Jmol)
000637539.b3lyp_6-31g(d).inp

000637539.b3lyp_6-31g(d).qchem.inp (generated)

000637539.b3lyp_6-31g(d).gjf (generated)

000637539.b3lyp_6-31g(d).firefly.inp (generated)

000637539.b3lyp_6-31g(d).smash.inp (generated)

000637539.b3lyp_6-31g(d).nwchem.inp (generated) 000637539.b3lyp_6-31g(d).log.xz 000637539.td-b3lyp_6-31g+(d).inp 000637539.td-b3lyp_6-31g+(d).log.xz

000637539.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637539.td-b3lyp_6-31+g(d).gjf (generated)

000637539.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637539.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637539.mol 000637539.PUBCHEM 000637539.mol (via Jmol)
000637541.b3lyp_6-31g(d).inp

000637541.b3lyp_6-31g(d).qchem.inp (generated)

000637541.b3lyp_6-31g(d).gjf (generated)

000637541.b3lyp_6-31g(d).firefly.inp (generated)

000637541.b3lyp_6-31g(d).smash.inp (generated)

000637541.b3lyp_6-31g(d).nwchem.inp (generated) 000637541.b3lyp_6-31g(d).log.xz 000637541.td-b3lyp_6-31g+(d).inp 000637541.td-b3lyp_6-31g+(d).log.xz

000637541.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637541.td-b3lyp_6-31+g(d).gjf (generated)

000637541.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637541.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637541.mol 000637541.PUBCHEM 000637541.mol (via Jmol)
000637542.b3lyp_6-31g(d).inp

000637542.b3lyp_6-31g(d).qchem.inp (generated)

000637542.b3lyp_6-31g(d).gjf (generated)

000637542.b3lyp_6-31g(d).firefly.inp (generated)

000637542.b3lyp_6-31g(d).smash.inp (generated)

000637542.b3lyp_6-31g(d).nwchem.inp (generated) 000637542.b3lyp_6-31g(d).log.xz 000637542.td-b3lyp_6-31g+(d).inp 000637542.td-b3lyp_6-31g+(d).log.xz

000637542.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637542.td-b3lyp_6-31+g(d).gjf (generated)

000637542.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637542.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637542.mol 000637542.PUBCHEM 000637542.mol (via Jmol)
000637543.b3lyp_6-31g(d).inp

000637543.b3lyp_6-31g(d).qchem.inp (generated)

000637543.b3lyp_6-31g(d).gjf (generated)

000637543.b3lyp_6-31g(d).firefly.inp (generated)

000637543.b3lyp_6-31g(d).smash.inp (generated)

000637543.b3lyp_6-31g(d).nwchem.inp (generated) 000637543.b3lyp_6-31g(d).log.xz 000637543.td-b3lyp_6-31g+(d).inp 000637543.td-b3lyp_6-31g+(d).log.xz

000637543.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637543.td-b3lyp_6-31+g(d).gjf (generated)

000637543.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637543.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637543.mol 000637543.PUBCHEM 000637543.mol (via Jmol)
000637548.b3lyp_6-31g(d).inp

000637548.b3lyp_6-31g(d).qchem.inp (generated)

000637548.b3lyp_6-31g(d).gjf (generated)

000637548.b3lyp_6-31g(d).firefly.inp (generated)

000637548.b3lyp_6-31g(d).smash.inp (generated)

000637548.b3lyp_6-31g(d).nwchem.inp (generated) 000637548.b3lyp_6-31g(d).log.xz 000637548.td-b3lyp_6-31g+(d).inp 000637548.td-b3lyp_6-31g+(d).log.xz

000637548.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637548.td-b3lyp_6-31+g(d).gjf (generated)

000637548.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637548.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637548.mol 000637548.PUBCHEM 000637548.mol (via Jmol)
000637551.b3lyp_6-31g(d).inp

000637551.b3lyp_6-31g(d).qchem.inp (generated)

000637551.b3lyp_6-31g(d).gjf (generated)

000637551.b3lyp_6-31g(d).firefly.inp (generated)

000637551.b3lyp_6-31g(d).smash.inp (generated)

000637551.b3lyp_6-31g(d).nwchem.inp (generated) 000637551.b3lyp_6-31g(d).log.xz 000637551.td-b3lyp_6-31g+(d).inp 000637551.td-b3lyp_6-31g+(d).log.xz

000637551.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637551.td-b3lyp_6-31+g(d).gjf (generated)

000637551.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637551.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637551.mol 000637551.PUBCHEM 000637551.mol (via Jmol)
000637553.b3lyp_6-31g(d).inp

000637553.b3lyp_6-31g(d).qchem.inp (generated)

000637553.b3lyp_6-31g(d).gjf (generated)

000637553.b3lyp_6-31g(d).firefly.inp (generated)

000637553.b3lyp_6-31g(d).smash.inp (generated)

000637553.b3lyp_6-31g(d).nwchem.inp (generated) 000637553.b3lyp_6-31g(d).log.xz 000637553.td-b3lyp_6-31g+(d).inp 000637553.td-b3lyp_6-31g+(d).log.xz

000637553.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637553.td-b3lyp_6-31+g(d).gjf (generated)

000637553.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637553.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637553.mol 000637553.PUBCHEM 000637553.mol (via Jmol)
000637554.b3lyp_6-31g(d).inp

000637554.b3lyp_6-31g(d).qchem.inp (generated)

000637554.b3lyp_6-31g(d).gjf (generated)

000637554.b3lyp_6-31g(d).firefly.inp (generated)

000637554.b3lyp_6-31g(d).smash.inp (generated)

000637554.b3lyp_6-31g(d).nwchem.inp (generated) 000637554.b3lyp_6-31g(d).log.xz 000637554.td-b3lyp_6-31g+(d).inp 000637554.td-b3lyp_6-31g+(d).log.xz

000637554.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637554.td-b3lyp_6-31+g(d).gjf (generated)

000637554.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637554.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637554.mol 000637554.PUBCHEM 000637554.mol (via Jmol)
000637559.b3lyp_6-31g(d).inp

000637559.b3lyp_6-31g(d).qchem.inp (generated)

000637559.b3lyp_6-31g(d).gjf (generated)

000637559.b3lyp_6-31g(d).firefly.inp (generated)

000637559.b3lyp_6-31g(d).smash.inp (generated)

000637559.b3lyp_6-31g(d).nwchem.inp (generated) 000637559.b3lyp_6-31g(d).log.xz 000637559.td-b3lyp_6-31g+(d).inp 000637559.td-b3lyp_6-31g+(d).log.xz

000637559.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637559.td-b3lyp_6-31+g(d).gjf (generated)

000637559.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637559.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637559.mol 000637559.PUBCHEM 000637559.mol (via Jmol)
000637562.b3lyp_6-31g(d).inp

000637562.b3lyp_6-31g(d).qchem.inp (generated)

000637562.b3lyp_6-31g(d).gjf (generated)

000637562.b3lyp_6-31g(d).firefly.inp (generated)

000637562.b3lyp_6-31g(d).smash.inp (generated)

000637562.b3lyp_6-31g(d).nwchem.inp (generated) 000637562.b3lyp_6-31g(d).log.xz 000637562.td-b3lyp_6-31g+(d).inp 000637562.td-b3lyp_6-31g+(d).log.xz

000637562.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637562.td-b3lyp_6-31+g(d).gjf (generated)

000637562.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637562.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637562.mol 000637562.PUBCHEM 000637562.mol (via Jmol)
000637563.b3lyp_6-31g(d).inp

000637563.b3lyp_6-31g(d).qchem.inp (generated)

000637563.b3lyp_6-31g(d).gjf (generated)

000637563.b3lyp_6-31g(d).firefly.inp (generated)

000637563.b3lyp_6-31g(d).smash.inp (generated)

000637563.b3lyp_6-31g(d).nwchem.inp (generated) 000637563.b3lyp_6-31g(d).log.xz 000637563.td-b3lyp_6-31g+(d).inp 000637563.td-b3lyp_6-31g+(d).log.xz

000637563.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637563.td-b3lyp_6-31+g(d).gjf (generated)

000637563.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637563.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637563.mol 000637563.PUBCHEM 000637563.mol (via Jmol)
000637564.b3lyp_6-31g(d).inp

000637564.b3lyp_6-31g(d).qchem.inp (generated)

000637564.b3lyp_6-31g(d).gjf (generated)

000637564.b3lyp_6-31g(d).firefly.inp (generated)

000637564.b3lyp_6-31g(d).smash.inp (generated)

000637564.b3lyp_6-31g(d).nwchem.inp (generated) 000637564.b3lyp_6-31g(d).log.xz 000637564.td-b3lyp_6-31g+(d).inp 000637564.td-b3lyp_6-31g+(d).log.xz

000637564.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637564.td-b3lyp_6-31+g(d).gjf (generated)

000637564.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637564.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637564.mol 000637564.PUBCHEM 000637564.mol (via Jmol)
000637565.b3lyp_6-31g(d).inp

000637565.b3lyp_6-31g(d).qchem.inp (generated)

000637565.b3lyp_6-31g(d).gjf (generated)

000637565.b3lyp_6-31g(d).firefly.inp (generated)

000637565.b3lyp_6-31g(d).smash.inp (generated)

000637565.b3lyp_6-31g(d).nwchem.inp (generated) 000637565.b3lyp_6-31g(d).log.xz 000637565.td-b3lyp_6-31g+(d).inp 000637565.td-b3lyp_6-31g+(d).log.xz

000637565.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637565.td-b3lyp_6-31+g(d).gjf (generated)

000637565.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637565.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637565.mol 000637565.PUBCHEM 000637565.mol (via Jmol)
000637566.b3lyp_6-31g(d).inp

000637566.b3lyp_6-31g(d).qchem.inp (generated)

000637566.b3lyp_6-31g(d).gjf (generated)

000637566.b3lyp_6-31g(d).firefly.inp (generated)

000637566.b3lyp_6-31g(d).smash.inp (generated)

000637566.b3lyp_6-31g(d).nwchem.inp (generated) 000637566.b3lyp_6-31g(d).log.xz 000637566.td-b3lyp_6-31g+(d).inp 000637566.td-b3lyp_6-31g+(d).log.xz

000637566.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637566.td-b3lyp_6-31+g(d).gjf (generated)

000637566.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637566.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637566.mol 000637566.PUBCHEM 000637566.mol (via Jmol)
000637571.b3lyp_6-31g(d).inp

000637571.b3lyp_6-31g(d).qchem.inp (generated)

000637571.b3lyp_6-31g(d).gjf (generated)

000637571.b3lyp_6-31g(d).firefly.inp (generated)

000637571.b3lyp_6-31g(d).smash.inp (generated)

000637571.b3lyp_6-31g(d).nwchem.inp (generated) 000637571.b3lyp_6-31g(d).log.xz 000637571.td-b3lyp_6-31g+(d).inp 000637571.td-b3lyp_6-31g+(d).log.xz

000637571.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637571.td-b3lyp_6-31+g(d).gjf (generated)

000637571.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637571.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637571.mol 000637571.PUBCHEM 000637571.mol (via Jmol)
000637572.b3lyp_6-31g(d).inp

000637572.b3lyp_6-31g(d).qchem.inp (generated)

000637572.b3lyp_6-31g(d).gjf (generated)

000637572.b3lyp_6-31g(d).firefly.inp (generated)

000637572.b3lyp_6-31g(d).smash.inp (generated)

000637572.b3lyp_6-31g(d).nwchem.inp (generated) 000637572.b3lyp_6-31g(d).log.xz 000637572.td-b3lyp_6-31g+(d).inp 000637572.td-b3lyp_6-31g+(d).log.xz

000637572.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637572.td-b3lyp_6-31+g(d).gjf (generated)

000637572.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637572.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637572.mol 000637572.PUBCHEM 000637572.mol (via Jmol)
000637573.b3lyp_6-31g(d).inp

000637573.b3lyp_6-31g(d).qchem.inp (generated)

000637573.b3lyp_6-31g(d).gjf (generated)

000637573.b3lyp_6-31g(d).firefly.inp (generated)

000637573.b3lyp_6-31g(d).smash.inp (generated)

000637573.b3lyp_6-31g(d).nwchem.inp (generated) 000637573.b3lyp_6-31g(d).log.xz 000637573.td-b3lyp_6-31g+(d).inp 000637573.td-b3lyp_6-31g+(d).log.xz

000637573.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637573.td-b3lyp_6-31+g(d).gjf (generated)

000637573.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637573.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637573.mol 000637573.PUBCHEM 000637573.mol (via Jmol)
000637575.b3lyp_6-31g(d).inp

000637575.b3lyp_6-31g(d).qchem.inp (generated)

000637575.b3lyp_6-31g(d).gjf (generated)

000637575.b3lyp_6-31g(d).firefly.inp (generated)

000637575.b3lyp_6-31g(d).smash.inp (generated)

000637575.b3lyp_6-31g(d).nwchem.inp (generated) 000637575.b3lyp_6-31g(d).log.xz 000637575.td-b3lyp_6-31g+(d).inp 000637575.td-b3lyp_6-31g+(d).log.xz

000637575.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637575.td-b3lyp_6-31+g(d).gjf (generated)

000637575.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637575.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637575.mol 000637575.PUBCHEM 000637575.mol (via Jmol)
000637585.b3lyp_6-31g(d).inp

000637585.b3lyp_6-31g(d).qchem.inp (generated)

000637585.b3lyp_6-31g(d).gjf (generated)

000637585.b3lyp_6-31g(d).firefly.inp (generated)

000637585.b3lyp_6-31g(d).smash.inp (generated)

000637585.b3lyp_6-31g(d).nwchem.inp (generated) 000637585.b3lyp_6-31g(d).log.xz 000637585.td-b3lyp_6-31g+(d).inp 000637585.td-b3lyp_6-31g+(d).log.xz

000637585.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637585.td-b3lyp_6-31+g(d).gjf (generated)

000637585.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637585.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637585.mol 000637585.PUBCHEM 000637585.mol (via Jmol)
000637587.b3lyp_6-31g(d).inp

000637587.b3lyp_6-31g(d).qchem.inp (generated)

000637587.b3lyp_6-31g(d).gjf (generated)

000637587.b3lyp_6-31g(d).firefly.inp (generated)

000637587.b3lyp_6-31g(d).smash.inp (generated)

000637587.b3lyp_6-31g(d).nwchem.inp (generated) 000637587.b3lyp_6-31g(d).log.xz 000637587.mol 000637587.PUBCHEM 000637587.mol (via Jmol)
000637589.b3lyp_6-31g(d).inp

000637589.b3lyp_6-31g(d).qchem.inp (generated)

000637589.b3lyp_6-31g(d).gjf (generated)

000637589.b3lyp_6-31g(d).firefly.inp (generated)

000637589.b3lyp_6-31g(d).smash.inp (generated)

000637589.b3lyp_6-31g(d).nwchem.inp (generated) 000637589.b3lyp_6-31g(d).log.xz 000637589.td-b3lyp_6-31g+(d).inp 000637589.td-b3lyp_6-31g+(d).log.xz

000637589.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637589.td-b3lyp_6-31+g(d).gjf (generated)

000637589.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637589.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637589.mol 000637589.PUBCHEM 000637589.mol (via Jmol)
000637590.b3lyp_6-31g(d).inp

000637590.b3lyp_6-31g(d).qchem.inp (generated)

000637590.b3lyp_6-31g(d).gjf (generated)

000637590.b3lyp_6-31g(d).firefly.inp (generated)

000637590.b3lyp_6-31g(d).smash.inp (generated)

000637590.b3lyp_6-31g(d).nwchem.inp (generated) 000637590.b3lyp_6-31g(d).log.xz 000637590.td-b3lyp_6-31g+(d).inp 000637590.td-b3lyp_6-31g+(d).log.xz

000637590.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637590.td-b3lyp_6-31+g(d).gjf (generated)

000637590.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637590.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637590.mol 000637590.PUBCHEM 000637590.mol (via Jmol)
000637591.b3lyp_6-31g(d).inp

000637591.b3lyp_6-31g(d).qchem.inp (generated)

000637591.b3lyp_6-31g(d).gjf (generated)

000637591.b3lyp_6-31g(d).firefly.inp (generated)

000637591.b3lyp_6-31g(d).smash.inp (generated)

000637591.b3lyp_6-31g(d).nwchem.inp (generated) 000637591.b3lyp_6-31g(d).log.xz 000637591.td-b3lyp_6-31g+(d).inp 000637591.td-b3lyp_6-31g+(d).log.xz

000637591.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637591.td-b3lyp_6-31+g(d).gjf (generated)

000637591.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637591.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637591.mol 000637591.PUBCHEM 000637591.mol (via Jmol)
000637592.b3lyp_6-31g(d).inp

000637592.b3lyp_6-31g(d).qchem.inp (generated)

000637592.b3lyp_6-31g(d).gjf (generated)

000637592.b3lyp_6-31g(d).firefly.inp (generated)

000637592.b3lyp_6-31g(d).smash.inp (generated)

000637592.b3lyp_6-31g(d).nwchem.inp (generated) 000637592.b3lyp_6-31g(d).log.xz 000637592.td-b3lyp_6-31g+(d).inp 000637592.td-b3lyp_6-31g+(d).log.xz

000637592.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637592.td-b3lyp_6-31+g(d).gjf (generated)

000637592.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637592.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637592.mol 000637592.PUBCHEM 000637592.mol (via Jmol)
000637593.b3lyp_6-31g(d).inp

000637593.b3lyp_6-31g(d).qchem.inp (generated)

000637593.b3lyp_6-31g(d).gjf (generated)

000637593.b3lyp_6-31g(d).firefly.inp (generated)

000637593.b3lyp_6-31g(d).smash.inp (generated)

000637593.b3lyp_6-31g(d).nwchem.inp (generated) 000637593.b3lyp_6-31g(d).log.xz 000637593.td-b3lyp_6-31g+(d).inp 000637593.td-b3lyp_6-31g+(d).log.xz

000637593.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637593.td-b3lyp_6-31+g(d).gjf (generated)

000637593.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637593.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637593.mol 000637593.PUBCHEM 000637593.mol (via Jmol)
000637594.b3lyp_6-31g(d).inp

000637594.b3lyp_6-31g(d).qchem.inp (generated)

000637594.b3lyp_6-31g(d).gjf (generated)

000637594.b3lyp_6-31g(d).firefly.inp (generated)

000637594.b3lyp_6-31g(d).smash.inp (generated)

000637594.b3lyp_6-31g(d).nwchem.inp (generated) 000637594.b3lyp_6-31g(d).log.xz 000637594.td-b3lyp_6-31g+(d).inp 000637594.td-b3lyp_6-31g+(d).log.xz

000637594.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637594.td-b3lyp_6-31+g(d).gjf (generated)

000637594.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637594.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637594.mol 000637594.PUBCHEM 000637594.mol (via Jmol)
000637596.b3lyp_6-31g(d).inp

000637596.b3lyp_6-31g(d).qchem.inp (generated)

000637596.b3lyp_6-31g(d).gjf (generated)

000637596.b3lyp_6-31g(d).firefly.inp (generated)

000637596.b3lyp_6-31g(d).smash.inp (generated)

000637596.b3lyp_6-31g(d).nwchem.inp (generated) 000637596.b3lyp_6-31g(d).log.xz 000637596.td-b3lyp_6-31g+(d).inp 000637596.td-b3lyp_6-31g+(d).log.xz

000637596.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637596.td-b3lyp_6-31+g(d).gjf (generated)

000637596.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637596.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637596.mol 000637596.PUBCHEM 000637596.mol (via Jmol)
000637599.b3lyp_6-31g(d).inp

000637599.b3lyp_6-31g(d).qchem.inp (generated)

000637599.b3lyp_6-31g(d).gjf (generated)

000637599.b3lyp_6-31g(d).firefly.inp (generated)

000637599.b3lyp_6-31g(d).smash.inp (generated)

000637599.b3lyp_6-31g(d).nwchem.inp (generated) 000637599.b3lyp_6-31g(d).log.xz 000637599.td-b3lyp_6-31g+(d).inp 000637599.td-b3lyp_6-31g+(d).log.xz

000637599.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637599.td-b3lyp_6-31+g(d).gjf (generated)

000637599.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637599.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637599.mol 000637599.PUBCHEM 000637599.mol (via Jmol)
000637600.b3lyp_6-31g(d).inp

000637600.b3lyp_6-31g(d).qchem.inp (generated)

000637600.b3lyp_6-31g(d).gjf (generated)

000637600.b3lyp_6-31g(d).firefly.inp (generated)

000637600.b3lyp_6-31g(d).smash.inp (generated)

000637600.b3lyp_6-31g(d).nwchem.inp (generated) 000637600.b3lyp_6-31g(d).log.xz 000637600.mol 000637600.PUBCHEM 000637600.mol (via Jmol)
000637601.b3lyp_6-31g(d).inp

000637601.b3lyp_6-31g(d).qchem.inp (generated)

000637601.b3lyp_6-31g(d).gjf (generated)

000637601.b3lyp_6-31g(d).firefly.inp (generated)

000637601.b3lyp_6-31g(d).smash.inp (generated)

000637601.b3lyp_6-31g(d).nwchem.inp (generated) 000637601.b3lyp_6-31g(d).log.xz 000637601.td-b3lyp_6-31g+(d).inp 000637601.td-b3lyp_6-31g+(d).log.xz

000637601.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637601.td-b3lyp_6-31+g(d).gjf (generated)

000637601.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637601.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637601.mol 000637601.PUBCHEM 000637601.mol (via Jmol)
000637602.b3lyp_6-31g(d).inp

000637602.b3lyp_6-31g(d).qchem.inp (generated)

000637602.b3lyp_6-31g(d).gjf (generated)

000637602.b3lyp_6-31g(d).firefly.inp (generated)

000637602.b3lyp_6-31g(d).smash.inp (generated)

000637602.b3lyp_6-31g(d).nwchem.inp (generated) 000637602.b3lyp_6-31g(d).log.xz 000637602.td-b3lyp_6-31g+(d).inp 000637602.td-b3lyp_6-31g+(d).log.xz

000637602.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637602.td-b3lyp_6-31+g(d).gjf (generated)

000637602.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637602.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637602.mol 000637602.PUBCHEM 000637602.mol (via Jmol)
000637603.b3lyp_6-31g(d).inp

000637603.b3lyp_6-31g(d).qchem.inp (generated)

000637603.b3lyp_6-31g(d).gjf (generated)

000637603.b3lyp_6-31g(d).firefly.inp (generated)

000637603.b3lyp_6-31g(d).smash.inp (generated)

000637603.b3lyp_6-31g(d).nwchem.inp (generated) 000637603.b3lyp_6-31g(d).log.xz 000637603.td-b3lyp_6-31g+(d).inp 000637603.td-b3lyp_6-31g+(d).log.xz

000637603.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637603.td-b3lyp_6-31+g(d).gjf (generated)

000637603.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637603.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637603.mol 000637603.PUBCHEM 000637603.mol (via Jmol)
000637604.b3lyp_6-31g(d).inp

000637604.b3lyp_6-31g(d).qchem.inp (generated)

000637604.b3lyp_6-31g(d).gjf (generated)

000637604.b3lyp_6-31g(d).firefly.inp (generated)

000637604.b3lyp_6-31g(d).smash.inp (generated)

000637604.b3lyp_6-31g(d).nwchem.inp (generated) 000637604.b3lyp_6-31g(d).log.xz 000637604.td-b3lyp_6-31g+(d).inp 000637604.td-b3lyp_6-31g+(d).log.xz

000637604.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637604.td-b3lyp_6-31+g(d).gjf (generated)

000637604.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637604.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637604.mol 000637604.PUBCHEM 000637604.mol (via Jmol)
000637606.b3lyp_6-31g(d).inp

000637606.b3lyp_6-31g(d).qchem.inp (generated)

000637606.b3lyp_6-31g(d).gjf (generated)

000637606.b3lyp_6-31g(d).firefly.inp (generated)

000637606.b3lyp_6-31g(d).smash.inp (generated)

000637606.b3lyp_6-31g(d).nwchem.inp (generated) 000637606.b3lyp_6-31g(d).log.xz 000637606.td-b3lyp_6-31g+(d).inp 000637606.td-b3lyp_6-31g+(d).log.xz

000637606.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637606.td-b3lyp_6-31+g(d).gjf (generated)

000637606.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637606.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637606.mol 000637606.PUBCHEM 000637606.mol (via Jmol)
000637609.b3lyp_6-31g(d).inp

000637609.b3lyp_6-31g(d).qchem.inp (generated)

000637609.b3lyp_6-31g(d).gjf (generated)

000637609.b3lyp_6-31g(d).firefly.inp (generated)

000637609.b3lyp_6-31g(d).smash.inp (generated)

000637609.b3lyp_6-31g(d).nwchem.inp (generated) 000637609.b3lyp_6-31g(d).log.xz 000637609.td-b3lyp_6-31g+(d).inp 000637609.td-b3lyp_6-31g+(d).log.xz

000637609.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637609.td-b3lyp_6-31+g(d).gjf (generated)

000637609.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637609.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637609.mol 000637609.PUBCHEM 000637609.mol (via Jmol)
000637612.b3lyp_6-31g(d).inp

000637612.b3lyp_6-31g(d).qchem.inp (generated)

000637612.b3lyp_6-31g(d).gjf (generated)

000637612.b3lyp_6-31g(d).firefly.inp (generated)

000637612.b3lyp_6-31g(d).smash.inp (generated)

000637612.b3lyp_6-31g(d).nwchem.inp (generated) 000637612.b3lyp_6-31g(d).log.xz 000637612.td-b3lyp_6-31g+(d).inp 000637612.td-b3lyp_6-31g+(d).log.xz

000637612.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637612.td-b3lyp_6-31+g(d).gjf (generated)

000637612.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637612.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637612.mol 000637612.PUBCHEM 000637612.mol (via Jmol)
000637618.b3lyp_6-31g(d).inp

000637618.b3lyp_6-31g(d).qchem.inp (generated)

000637618.b3lyp_6-31g(d).gjf (generated)

000637618.b3lyp_6-31g(d).firefly.inp (generated)

000637618.b3lyp_6-31g(d).smash.inp (generated)

000637618.b3lyp_6-31g(d).nwchem.inp (generated) 000637618.b3lyp_6-31g(d).log.xz 000637618.mol 000637618.PUBCHEM 000637618.mol (via Jmol)
000637638.b3lyp_6-31g(d).inp

000637638.b3lyp_6-31g(d).qchem.inp (generated)

000637638.b3lyp_6-31g(d).gjf (generated)

000637638.b3lyp_6-31g(d).firefly.inp (generated)

000637638.b3lyp_6-31g(d).smash.inp (generated)

000637638.b3lyp_6-31g(d).nwchem.inp (generated) 000637638.b3lyp_6-31g(d).log.xz 000637638.td-b3lyp_6-31g+(d).inp 000637638.td-b3lyp_6-31g+(d).log.xz

000637638.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637638.td-b3lyp_6-31+g(d).gjf (generated)

000637638.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637638.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637638.mol 000637638.PUBCHEM 000637638.mol (via Jmol)
000637639.b3lyp_6-31g(d).inp

000637639.b3lyp_6-31g(d).qchem.inp (generated)

000637639.b3lyp_6-31g(d).gjf (generated)

000637639.b3lyp_6-31g(d).firefly.inp (generated)

000637639.b3lyp_6-31g(d).smash.inp (generated)

000637639.b3lyp_6-31g(d).nwchem.inp (generated) 000637639.b3lyp_6-31g(d).log.xz 000637639.td-b3lyp_6-31g+(d).inp 000637639.td-b3lyp_6-31g+(d).log.xz

000637639.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637639.td-b3lyp_6-31+g(d).gjf (generated)

000637639.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637639.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637639.mol 000637639.PUBCHEM 000637639.mol (via Jmol)
000637640.b3lyp_6-31g(d).inp

000637640.b3lyp_6-31g(d).qchem.inp (generated)

000637640.b3lyp_6-31g(d).gjf (generated)

000637640.b3lyp_6-31g(d).firefly.inp (generated)

000637640.b3lyp_6-31g(d).smash.inp (generated)

000637640.b3lyp_6-31g(d).nwchem.inp (generated) 000637640.b3lyp_6-31g(d).log.xz 000637640.td-b3lyp_6-31g+(d).inp 000637640.td-b3lyp_6-31g+(d).log.xz

000637640.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637640.td-b3lyp_6-31+g(d).gjf (generated)

000637640.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637640.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637640.mol 000637640.PUBCHEM 000637640.mol (via Jmol)
000637641.b3lyp_6-31g(d).inp

000637641.b3lyp_6-31g(d).qchem.inp (generated)

000637641.b3lyp_6-31g(d).gjf (generated)

000637641.b3lyp_6-31g(d).firefly.inp (generated)

000637641.b3lyp_6-31g(d).smash.inp (generated)

000637641.b3lyp_6-31g(d).nwchem.inp (generated) 000637641.b3lyp_6-31g(d).log.xz 000637641.td-b3lyp_6-31g+(d).inp 000637641.td-b3lyp_6-31g+(d).log.xz

000637641.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637641.td-b3lyp_6-31+g(d).gjf (generated)

000637641.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637641.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637641.mol 000637641.PUBCHEM 000637641.mol (via Jmol)
000637642.b3lyp_6-31g(d).inp

000637642.b3lyp_6-31g(d).qchem.inp (generated)

000637642.b3lyp_6-31g(d).gjf (generated)

000637642.b3lyp_6-31g(d).firefly.inp (generated)

000637642.b3lyp_6-31g(d).smash.inp (generated)

000637642.b3lyp_6-31g(d).nwchem.inp (generated) 000637642.b3lyp_6-31g(d).log.xz 000637642.td-b3lyp_6-31g+(d).inp 000637642.td-b3lyp_6-31g+(d).log.xz

000637642.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637642.td-b3lyp_6-31+g(d).gjf (generated)

000637642.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637642.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637642.mol 000637642.PUBCHEM 000637642.mol (via Jmol)
000637643.b3lyp_6-31g(d).inp

000637643.b3lyp_6-31g(d).qchem.inp (generated)

000637643.b3lyp_6-31g(d).gjf (generated)

000637643.b3lyp_6-31g(d).firefly.inp (generated)

000637643.b3lyp_6-31g(d).smash.inp (generated)

000637643.b3lyp_6-31g(d).nwchem.inp (generated) 000637643.b3lyp_6-31g(d).log.xz 000637643.td-b3lyp_6-31g+(d).inp 000637643.td-b3lyp_6-31g+(d).log.xz

000637643.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637643.td-b3lyp_6-31+g(d).gjf (generated)

000637643.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637643.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637643.mol 000637643.PUBCHEM 000637643.mol (via Jmol)
000637647.b3lyp_6-31g(d).inp

000637647.b3lyp_6-31g(d).qchem.inp (generated)

000637647.b3lyp_6-31g(d).gjf (generated)

000637647.b3lyp_6-31g(d).firefly.inp (generated)

000637647.b3lyp_6-31g(d).smash.inp (generated)

000637647.b3lyp_6-31g(d).nwchem.inp (generated) 000637647.b3lyp_6-31g(d).log.xz 000637647.td-b3lyp_6-31g+(d).inp 000637647.td-b3lyp_6-31g+(d).log.xz

000637647.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637647.td-b3lyp_6-31+g(d).gjf (generated)

000637647.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637647.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637647.mol 000637647.PUBCHEM 000637647.mol (via Jmol)
000637650.b3lyp_6-31g(d).inp

000637650.b3lyp_6-31g(d).qchem.inp (generated)

000637650.b3lyp_6-31g(d).gjf (generated)

000637650.b3lyp_6-31g(d).firefly.inp (generated)

000637650.b3lyp_6-31g(d).smash.inp (generated)

000637650.b3lyp_6-31g(d).nwchem.inp (generated) 000637650.b3lyp_6-31g(d).log.xz 000637650.td-b3lyp_6-31g+(d).inp 000637650.td-b3lyp_6-31g+(d).log.xz

000637650.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637650.td-b3lyp_6-31+g(d).gjf (generated)

000637650.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637650.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637650.mol 000637650.PUBCHEM 000637650.mol (via Jmol)
000637651.b3lyp_6-31g(d).inp

000637651.b3lyp_6-31g(d).qchem.inp (generated)

000637651.b3lyp_6-31g(d).gjf (generated)

000637651.b3lyp_6-31g(d).firefly.inp (generated)

000637651.b3lyp_6-31g(d).smash.inp (generated)

000637651.b3lyp_6-31g(d).nwchem.inp (generated) 000637651.b3lyp_6-31g(d).log.xz 000637651.td-b3lyp_6-31g+(d).inp 000637651.td-b3lyp_6-31g+(d).log.xz

000637651.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637651.td-b3lyp_6-31+g(d).gjf (generated)

000637651.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637651.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637651.mol 000637651.PUBCHEM 000637651.mol (via Jmol)
000637652.b3lyp_6-31g(d).inp

000637652.b3lyp_6-31g(d).qchem.inp (generated)

000637652.b3lyp_6-31g(d).gjf (generated)

000637652.b3lyp_6-31g(d).firefly.inp (generated)

000637652.b3lyp_6-31g(d).smash.inp (generated)

000637652.b3lyp_6-31g(d).nwchem.inp (generated) 000637652.b3lyp_6-31g(d).log.xz 000637652.td-b3lyp_6-31g+(d).inp 000637652.td-b3lyp_6-31g+(d).log.xz

000637652.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637652.td-b3lyp_6-31+g(d).gjf (generated)

000637652.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637652.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637652.mol 000637652.PUBCHEM 000637652.mol (via Jmol)
000637653.b3lyp_6-31g(d).inp

000637653.b3lyp_6-31g(d).qchem.inp (generated)

000637653.b3lyp_6-31g(d).gjf (generated)

000637653.b3lyp_6-31g(d).firefly.inp (generated)

000637653.b3lyp_6-31g(d).smash.inp (generated)

000637653.b3lyp_6-31g(d).nwchem.inp (generated) 000637653.b3lyp_6-31g(d).log.xz 000637653.td-b3lyp_6-31g+(d).inp 000637653.td-b3lyp_6-31g+(d).log.xz

000637653.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637653.td-b3lyp_6-31+g(d).gjf (generated)

000637653.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637653.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637653.mol 000637653.PUBCHEM 000637653.mol (via Jmol)
000637654.b3lyp_6-31g(d).inp

000637654.b3lyp_6-31g(d).qchem.inp (generated)

000637654.b3lyp_6-31g(d).gjf (generated)

000637654.b3lyp_6-31g(d).firefly.inp (generated)

000637654.b3lyp_6-31g(d).smash.inp (generated)

000637654.b3lyp_6-31g(d).nwchem.inp (generated) 000637654.b3lyp_6-31g(d).log.xz 000637654.td-b3lyp_6-31g+(d).inp 000637654.td-b3lyp_6-31g+(d).log.xz

000637654.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637654.td-b3lyp_6-31+g(d).gjf (generated)

000637654.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637654.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637654.mol 000637654.PUBCHEM 000637654.mol (via Jmol)
000637655.b3lyp_6-31g(d).inp

000637655.b3lyp_6-31g(d).qchem.inp (generated)

000637655.b3lyp_6-31g(d).gjf (generated)

000637655.b3lyp_6-31g(d).firefly.inp (generated)

000637655.b3lyp_6-31g(d).smash.inp (generated)

000637655.b3lyp_6-31g(d).nwchem.inp (generated) 000637655.b3lyp_6-31g(d).log.xz 000637655.td-b3lyp_6-31g+(d).inp 000637655.td-b3lyp_6-31g+(d).log.xz

000637655.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637655.td-b3lyp_6-31+g(d).gjf (generated)

000637655.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637655.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637655.mol 000637655.PUBCHEM 000637655.mol (via Jmol)
000637656.b3lyp_6-31g(d).inp

000637656.b3lyp_6-31g(d).qchem.inp (generated)

000637656.b3lyp_6-31g(d).gjf (generated)

000637656.b3lyp_6-31g(d).firefly.inp (generated)

000637656.b3lyp_6-31g(d).smash.inp (generated)

000637656.b3lyp_6-31g(d).nwchem.inp (generated) 000637656.b3lyp_6-31g(d).log.xz 000637656.td-b3lyp_6-31g+(d).inp 000637656.td-b3lyp_6-31g+(d).log.xz

000637656.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637656.td-b3lyp_6-31+g(d).gjf (generated)

000637656.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637656.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637656.mol 000637656.PUBCHEM 000637656.mol (via Jmol)
000637657.b3lyp_6-31g(d).inp

000637657.b3lyp_6-31g(d).qchem.inp (generated)

000637657.b3lyp_6-31g(d).gjf (generated)

000637657.b3lyp_6-31g(d).firefly.inp (generated)

000637657.b3lyp_6-31g(d).smash.inp (generated)

000637657.b3lyp_6-31g(d).nwchem.inp (generated) 000637657.b3lyp_6-31g(d).log.xz 000637657.td-b3lyp_6-31g+(d).inp 000637657.td-b3lyp_6-31g+(d).log.xz

000637657.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637657.td-b3lyp_6-31+g(d).gjf (generated)

000637657.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637657.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637657.mol 000637657.PUBCHEM 000637657.mol (via Jmol)
000637658.b3lyp_6-31g(d).inp

000637658.b3lyp_6-31g(d).qchem.inp (generated)

000637658.b3lyp_6-31g(d).gjf (generated)

000637658.b3lyp_6-31g(d).firefly.inp (generated)

000637658.b3lyp_6-31g(d).smash.inp (generated)

000637658.b3lyp_6-31g(d).nwchem.inp (generated) 000637658.b3lyp_6-31g(d).log.xz 000637658.mol 000637658.PUBCHEM 000637658.mol (via Jmol)
000637659.b3lyp_6-31g(d).inp

000637659.b3lyp_6-31g(d).qchem.inp (generated)

000637659.b3lyp_6-31g(d).gjf (generated)

000637659.b3lyp_6-31g(d).firefly.inp (generated)

000637659.b3lyp_6-31g(d).smash.inp (generated)

000637659.b3lyp_6-31g(d).nwchem.inp (generated) 000637659.b3lyp_6-31g(d).log.xz 000637659.td-b3lyp_6-31g+(d).inp 000637659.td-b3lyp_6-31g+(d).log.xz

000637659.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637659.td-b3lyp_6-31+g(d).gjf (generated)

000637659.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637659.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637659.mol 000637659.PUBCHEM 000637659.mol (via Jmol)
000637661.b3lyp_6-31g(d).inp

000637661.b3lyp_6-31g(d).qchem.inp (generated)

000637661.b3lyp_6-31g(d).gjf (generated)

000637661.b3lyp_6-31g(d).firefly.inp (generated)

000637661.b3lyp_6-31g(d).smash.inp (generated)

000637661.b3lyp_6-31g(d).nwchem.inp (generated) 000637661.b3lyp_6-31g(d).log.xz 000637661.td-b3lyp_6-31g+(d).inp 000637661.td-b3lyp_6-31g+(d).log.xz

000637661.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637661.td-b3lyp_6-31+g(d).gjf (generated)

000637661.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637661.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637661.mol 000637661.PUBCHEM 000637661.mol (via Jmol)
000637662.b3lyp_6-31g(d).inp

000637662.b3lyp_6-31g(d).qchem.inp (generated)

000637662.b3lyp_6-31g(d).gjf (generated)

000637662.b3lyp_6-31g(d).firefly.inp (generated)

000637662.b3lyp_6-31g(d).smash.inp (generated)

000637662.b3lyp_6-31g(d).nwchem.inp (generated) 000637662.b3lyp_6-31g(d).log.xz 000637662.td-b3lyp_6-31g+(d).inp 000637662.td-b3lyp_6-31g+(d).log.xz

000637662.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637662.td-b3lyp_6-31+g(d).gjf (generated)

000637662.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637662.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637662.mol 000637662.PUBCHEM 000637662.mol (via Jmol)
000637663.b3lyp_6-31g(d).inp

000637663.b3lyp_6-31g(d).qchem.inp (generated)

000637663.b3lyp_6-31g(d).gjf (generated)

000637663.b3lyp_6-31g(d).firefly.inp (generated)

000637663.b3lyp_6-31g(d).smash.inp (generated)

000637663.b3lyp_6-31g(d).nwchem.inp (generated) 000637663.b3lyp_6-31g(d).log.xz 000637663.mol 000637663.PUBCHEM 000637663.mol (via Jmol)
000637665.b3lyp_6-31g(d).inp

000637665.b3lyp_6-31g(d).qchem.inp (generated)

000637665.b3lyp_6-31g(d).gjf (generated)

000637665.b3lyp_6-31g(d).firefly.inp (generated)

000637665.b3lyp_6-31g(d).smash.inp (generated)

000637665.b3lyp_6-31g(d).nwchem.inp (generated) 000637665.b3lyp_6-31g(d).log.xz 000637665.td-b3lyp_6-31g+(d).inp 000637665.td-b3lyp_6-31g+(d).log.xz

000637665.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637665.td-b3lyp_6-31+g(d).gjf (generated)

000637665.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637665.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637665.mol 000637665.PUBCHEM 000637665.mol (via Jmol)
000637666.b3lyp_6-31g(d).inp

000637666.b3lyp_6-31g(d).qchem.inp (generated)

000637666.b3lyp_6-31g(d).gjf (generated)

000637666.b3lyp_6-31g(d).firefly.inp (generated)

000637666.b3lyp_6-31g(d).smash.inp (generated)

000637666.b3lyp_6-31g(d).nwchem.inp (generated) 000637666.b3lyp_6-31g(d).log.xz 000637666.td-b3lyp_6-31g+(d).inp 000637666.td-b3lyp_6-31g+(d).log.xz

000637666.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637666.td-b3lyp_6-31+g(d).gjf (generated)

000637666.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637666.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637666.mol 000637666.PUBCHEM 000637666.mol (via Jmol)
000637667.b3lyp_6-31g(d).inp

000637667.b3lyp_6-31g(d).qchem.inp (generated)

000637667.b3lyp_6-31g(d).gjf (generated)

000637667.b3lyp_6-31g(d).firefly.inp (generated)

000637667.b3lyp_6-31g(d).smash.inp (generated)

000637667.b3lyp_6-31g(d).nwchem.inp (generated) 000637667.b3lyp_6-31g(d).log.xz 000637667.td-b3lyp_6-31g+(d).inp 000637667.td-b3lyp_6-31g+(d).log.xz

000637667.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637667.td-b3lyp_6-31+g(d).gjf (generated)

000637667.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637667.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637667.mol 000637667.PUBCHEM 000637667.mol (via Jmol)
000637668.b3lyp_6-31g(d).inp

000637668.b3lyp_6-31g(d).qchem.inp (generated)

000637668.b3lyp_6-31g(d).gjf (generated)

000637668.b3lyp_6-31g(d).firefly.inp (generated)

000637668.b3lyp_6-31g(d).smash.inp (generated)

000637668.b3lyp_6-31g(d).nwchem.inp (generated) 000637668.b3lyp_6-31g(d).log.xz 000637668.td-b3lyp_6-31g+(d).inp 000637668.td-b3lyp_6-31g+(d).log.xz

000637668.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637668.td-b3lyp_6-31+g(d).gjf (generated)

000637668.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637668.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637668.mol 000637668.PUBCHEM 000637668.mol (via Jmol)
000637669.b3lyp_6-31g(d).inp

000637669.b3lyp_6-31g(d).qchem.inp (generated)

000637669.b3lyp_6-31g(d).gjf (generated)

000637669.b3lyp_6-31g(d).firefly.inp (generated)

000637669.b3lyp_6-31g(d).smash.inp (generated)

000637669.b3lyp_6-31g(d).nwchem.inp (generated) 000637669.b3lyp_6-31g(d).log.xz 000637669.mol 000637669.PUBCHEM 000637669.mol (via Jmol)
000637671.b3lyp_6-31g(d).inp

000637671.b3lyp_6-31g(d).qchem.inp (generated)

000637671.b3lyp_6-31g(d).gjf (generated)

000637671.b3lyp_6-31g(d).firefly.inp (generated)

000637671.b3lyp_6-31g(d).smash.inp (generated)

000637671.b3lyp_6-31g(d).nwchem.inp (generated) 000637671.b3lyp_6-31g(d).log.xz 000637671.td-b3lyp_6-31g+(d).inp 000637671.td-b3lyp_6-31g+(d).log.xz

000637671.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637671.td-b3lyp_6-31+g(d).gjf (generated)

000637671.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637671.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637671.mol 000637671.PUBCHEM 000637671.mol (via Jmol)
000637672.b3lyp_6-31g(d).inp

000637672.b3lyp_6-31g(d).qchem.inp (generated)

000637672.b3lyp_6-31g(d).gjf (generated)

000637672.b3lyp_6-31g(d).firefly.inp (generated)

000637672.b3lyp_6-31g(d).smash.inp (generated)

000637672.b3lyp_6-31g(d).nwchem.inp (generated) 000637672.b3lyp_6-31g(d).log.xz 000637672.mol 000637672.PUBCHEM 000637672.mol (via Jmol)
000637673.b3lyp_6-31g(d).inp

000637673.b3lyp_6-31g(d).qchem.inp (generated)

000637673.b3lyp_6-31g(d).gjf (generated)

000637673.b3lyp_6-31g(d).firefly.inp (generated)

000637673.b3lyp_6-31g(d).smash.inp (generated)

000637673.b3lyp_6-31g(d).nwchem.inp (generated) 000637673.b3lyp_6-31g(d).log.xz 000637673.td-b3lyp_6-31g+(d).inp 000637673.td-b3lyp_6-31g+(d).log.xz

000637673.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637673.td-b3lyp_6-31+g(d).gjf (generated)

000637673.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637673.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637673.mol 000637673.PUBCHEM 000637673.mol (via Jmol)
000637674.b3lyp_6-31g(d).inp

000637674.b3lyp_6-31g(d).qchem.inp (generated)

000637674.b3lyp_6-31g(d).gjf (generated)

000637674.b3lyp_6-31g(d).firefly.inp (generated)

000637674.b3lyp_6-31g(d).smash.inp (generated)

000637674.b3lyp_6-31g(d).nwchem.inp (generated) 000637674.b3lyp_6-31g(d).log.xz 000637674.td-b3lyp_6-31g+(d).inp 000637674.td-b3lyp_6-31g+(d).log.xz

000637674.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637674.td-b3lyp_6-31+g(d).gjf (generated)

000637674.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637674.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637674.mol 000637674.PUBCHEM 000637674.mol (via Jmol)
000637676.b3lyp_6-31g(d).inp

000637676.b3lyp_6-31g(d).qchem.inp (generated)

000637676.b3lyp_6-31g(d).gjf (generated)

000637676.b3lyp_6-31g(d).firefly.inp (generated)

000637676.b3lyp_6-31g(d).smash.inp (generated)

000637676.b3lyp_6-31g(d).nwchem.inp (generated) 000637676.b3lyp_6-31g(d).log.xz 000637676.td-b3lyp_6-31g+(d).inp 000637676.td-b3lyp_6-31g+(d).log.xz

000637676.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637676.td-b3lyp_6-31+g(d).gjf (generated)

000637676.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637676.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637676.mol 000637676.PUBCHEM 000637676.mol (via Jmol)
000637718.b3lyp_6-31g(d).inp

000637718.b3lyp_6-31g(d).qchem.inp (generated)

000637718.b3lyp_6-31g(d).gjf (generated)

000637718.b3lyp_6-31g(d).firefly.inp (generated)

000637718.b3lyp_6-31g(d).smash.inp (generated)

000637718.b3lyp_6-31g(d).nwchem.inp (generated) 000637718.b3lyp_6-31g(d).log.xz 000637718.td-b3lyp_6-31g+(d).inp 000637718.td-b3lyp_6-31g+(d).log.xz

000637718.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637718.td-b3lyp_6-31+g(d).gjf (generated)

000637718.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637718.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637718.mol 000637718.PUBCHEM 000637718.mol (via Jmol)
000637719.b3lyp_6-31g(d).inp

000637719.b3lyp_6-31g(d).qchem.inp (generated)

000637719.b3lyp_6-31g(d).gjf (generated)

000637719.b3lyp_6-31g(d).firefly.inp (generated)

000637719.b3lyp_6-31g(d).smash.inp (generated)

000637719.b3lyp_6-31g(d).nwchem.inp (generated) 000637719.b3lyp_6-31g(d).log.xz 000637719.td-b3lyp_6-31g+(d).inp 000637719.td-b3lyp_6-31g+(d).log.xz

000637719.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637719.td-b3lyp_6-31+g(d).gjf (generated)

000637719.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637719.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637719.mol 000637719.PUBCHEM 000637719.mol (via Jmol)
000637721.b3lyp_6-31g(d).inp

000637721.b3lyp_6-31g(d).qchem.inp (generated)

000637721.b3lyp_6-31g(d).gjf (generated)

000637721.b3lyp_6-31g(d).firefly.inp (generated)

000637721.b3lyp_6-31g(d).smash.inp (generated)

000637721.b3lyp_6-31g(d).nwchem.inp (generated) 000637721.b3lyp_6-31g(d).log.xz 000637721.td-b3lyp_6-31g+(d).inp 000637721.td-b3lyp_6-31g+(d).log.xz

000637721.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637721.td-b3lyp_6-31+g(d).gjf (generated)

000637721.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637721.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637721.mol 000637721.PUBCHEM 000637721.mol (via Jmol)
000637724.b3lyp_6-31g(d).inp

000637724.b3lyp_6-31g(d).qchem.inp (generated)

000637724.b3lyp_6-31g(d).gjf (generated)

000637724.b3lyp_6-31g(d).firefly.inp (generated)

000637724.b3lyp_6-31g(d).smash.inp (generated)

000637724.b3lyp_6-31g(d).nwchem.inp (generated) 000637724.b3lyp_6-31g(d).log.xz 000637724.td-b3lyp_6-31g+(d).inp 000637724.td-b3lyp_6-31g+(d).log.xz

000637724.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637724.td-b3lyp_6-31+g(d).gjf (generated)

000637724.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637724.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637724.mol 000637724.PUBCHEM 000637724.mol (via Jmol)
000637725.b3lyp_6-31g(d).inp

000637725.b3lyp_6-31g(d).qchem.inp (generated)

000637725.b3lyp_6-31g(d).gjf (generated)

000637725.b3lyp_6-31g(d).firefly.inp (generated)

000637725.b3lyp_6-31g(d).smash.inp (generated)

000637725.b3lyp_6-31g(d).nwchem.inp (generated) 000637725.b3lyp_6-31g(d).log.xz 000637725.td-b3lyp_6-31g+(d).inp 000637725.td-b3lyp_6-31g+(d).log.xz

000637725.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637725.td-b3lyp_6-31+g(d).gjf (generated)

000637725.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637725.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637725.mol 000637725.PUBCHEM 000637725.mol (via Jmol)
000637727.b3lyp_6-31g(d).inp

000637727.b3lyp_6-31g(d).qchem.inp (generated)

000637727.b3lyp_6-31g(d).gjf (generated)

000637727.b3lyp_6-31g(d).firefly.inp (generated)

000637727.b3lyp_6-31g(d).smash.inp (generated)

000637727.b3lyp_6-31g(d).nwchem.inp (generated) 000637727.b3lyp_6-31g(d).log.xz 000637727.td-b3lyp_6-31g+(d).inp 000637727.td-b3lyp_6-31g+(d).log.xz

000637727.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637727.td-b3lyp_6-31+g(d).gjf (generated)

000637727.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637727.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637727.mol 000637727.PUBCHEM 000637727.mol (via Jmol)
000637733.b3lyp_6-31g(d).inp

000637733.b3lyp_6-31g(d).qchem.inp (generated)

000637733.b3lyp_6-31g(d).gjf (generated)

000637733.b3lyp_6-31g(d).firefly.inp (generated)

000637733.b3lyp_6-31g(d).smash.inp (generated)

000637733.b3lyp_6-31g(d).nwchem.inp (generated) 000637733.b3lyp_6-31g(d).log.xz 000637733.td-b3lyp_6-31g+(d).inp 000637733.td-b3lyp_6-31g+(d).log.xz

000637733.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637733.td-b3lyp_6-31+g(d).gjf (generated)

000637733.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637733.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637733.mol 000637733.PUBCHEM 000637733.mol (via Jmol)
000637734.b3lyp_6-31g(d).inp

000637734.b3lyp_6-31g(d).qchem.inp (generated)

000637734.b3lyp_6-31g(d).gjf (generated)

000637734.b3lyp_6-31g(d).firefly.inp (generated)

000637734.b3lyp_6-31g(d).smash.inp (generated)

000637734.b3lyp_6-31g(d).nwchem.inp (generated) 000637734.b3lyp_6-31g(d).log.xz 000637734.td-b3lyp_6-31g+(d).inp 000637734.td-b3lyp_6-31g+(d).log.xz

000637734.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637734.td-b3lyp_6-31+g(d).gjf (generated)

000637734.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637734.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637734.mol 000637734.PUBCHEM 000637734.mol (via Jmol)
000637735.b3lyp_6-31g(d).inp

000637735.b3lyp_6-31g(d).qchem.inp (generated)

000637735.b3lyp_6-31g(d).gjf (generated)

000637735.b3lyp_6-31g(d).firefly.inp (generated)

000637735.b3lyp_6-31g(d).smash.inp (generated)

000637735.b3lyp_6-31g(d).nwchem.inp (generated) 000637735.b3lyp_6-31g(d).log.xz 000637735.td-b3lyp_6-31g+(d).inp 000637735.td-b3lyp_6-31g+(d).log.xz

000637735.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637735.td-b3lyp_6-31+g(d).gjf (generated)

000637735.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637735.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637735.mol 000637735.PUBCHEM 000637735.mol (via Jmol)
000637736.b3lyp_6-31g(d).inp

000637736.b3lyp_6-31g(d).qchem.inp (generated)

000637736.b3lyp_6-31g(d).gjf (generated)

000637736.b3lyp_6-31g(d).firefly.inp (generated)

000637736.b3lyp_6-31g(d).smash.inp (generated)

000637736.b3lyp_6-31g(d).nwchem.inp (generated) 000637736.b3lyp_6-31g(d).log.xz 000637736.td-b3lyp_6-31g+(d).inp 000637736.td-b3lyp_6-31g+(d).log.xz

000637736.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637736.td-b3lyp_6-31+g(d).gjf (generated)

000637736.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637736.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637736.mol 000637736.PUBCHEM 000637736.mol (via Jmol)
000637737.b3lyp_6-31g(d).inp

000637737.b3lyp_6-31g(d).qchem.inp (generated)

000637737.b3lyp_6-31g(d).gjf (generated)

000637737.b3lyp_6-31g(d).firefly.inp (generated)

000637737.b3lyp_6-31g(d).smash.inp (generated)

000637737.b3lyp_6-31g(d).nwchem.inp (generated) 000637737.b3lyp_6-31g(d).log.xz 000637737.mol 000637737.PUBCHEM 000637737.mol (via Jmol)
000637752.b3lyp_6-31g(d).inp

000637752.b3lyp_6-31g(d).qchem.inp (generated)

000637752.b3lyp_6-31g(d).gjf (generated)

000637752.b3lyp_6-31g(d).firefly.inp (generated)

000637752.b3lyp_6-31g(d).smash.inp (generated)

000637752.b3lyp_6-31g(d).nwchem.inp (generated) 000637752.b3lyp_6-31g(d).log.xz 000637752.td-b3lyp_6-31g+(d).inp 000637752.td-b3lyp_6-31g+(d).log.xz

000637752.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637752.td-b3lyp_6-31+g(d).gjf (generated)

000637752.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637752.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637752.mol 000637752.PUBCHEM 000637752.mol (via Jmol)
000637753.b3lyp_6-31g(d).inp

000637753.b3lyp_6-31g(d).qchem.inp (generated)

000637753.b3lyp_6-31g(d).gjf (generated)

000637753.b3lyp_6-31g(d).firefly.inp (generated)

000637753.b3lyp_6-31g(d).smash.inp (generated)

000637753.b3lyp_6-31g(d).nwchem.inp (generated) 000637753.b3lyp_6-31g(d).log.xz 000637753.td-b3lyp_6-31g+(d).inp 000637753.td-b3lyp_6-31g+(d).log.xz

000637753.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637753.td-b3lyp_6-31+g(d).gjf (generated)

000637753.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637753.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637753.mol 000637753.PUBCHEM 000637753.mol (via Jmol)
000637754.b3lyp_6-31g(d).inp

000637754.b3lyp_6-31g(d).qchem.inp (generated)

000637754.b3lyp_6-31g(d).gjf (generated)

000637754.b3lyp_6-31g(d).firefly.inp (generated)

000637754.b3lyp_6-31g(d).smash.inp (generated)

000637754.b3lyp_6-31g(d).nwchem.inp (generated) 000637754.b3lyp_6-31g(d).log.xz 000637754.td-b3lyp_6-31g+(d).inp 000637754.td-b3lyp_6-31g+(d).log.xz

000637754.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637754.td-b3lyp_6-31+g(d).gjf (generated)

000637754.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637754.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637754.mol 000637754.PUBCHEM 000637754.mol (via Jmol)
000637756.b3lyp_6-31g(d).inp

000637756.b3lyp_6-31g(d).qchem.inp (generated)

000637756.b3lyp_6-31g(d).gjf (generated)

000637756.b3lyp_6-31g(d).firefly.inp (generated)

000637756.b3lyp_6-31g(d).smash.inp (generated)

000637756.b3lyp_6-31g(d).nwchem.inp (generated) 000637756.b3lyp_6-31g(d).log.xz 000637756.td-b3lyp_6-31g+(d).inp 000637756.td-b3lyp_6-31g+(d).log.xz

000637756.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637756.td-b3lyp_6-31+g(d).gjf (generated)

000637756.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637756.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637756.mol 000637756.PUBCHEM 000637756.mol (via Jmol)
000637757.b3lyp_6-31g(d).inp

000637757.b3lyp_6-31g(d).qchem.inp (generated)

000637757.b3lyp_6-31g(d).gjf (generated)

000637757.b3lyp_6-31g(d).firefly.inp (generated)

000637757.b3lyp_6-31g(d).smash.inp (generated)

000637757.b3lyp_6-31g(d).nwchem.inp (generated) 000637757.b3lyp_6-31g(d).log.xz 000637757.td-b3lyp_6-31g+(d).inp 000637757.td-b3lyp_6-31g+(d).log.xz

000637757.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637757.td-b3lyp_6-31+g(d).gjf (generated)

000637757.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637757.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637757.mol 000637757.PUBCHEM 000637757.mol (via Jmol)
000637759.b3lyp_6-31g(d).inp

000637759.b3lyp_6-31g(d).qchem.inp (generated)

000637759.b3lyp_6-31g(d).gjf (generated)

000637759.b3lyp_6-31g(d).firefly.inp (generated)

000637759.b3lyp_6-31g(d).smash.inp (generated)

000637759.b3lyp_6-31g(d).nwchem.inp (generated) 000637759.b3lyp_6-31g(d).log.xz 000637759.td-b3lyp_6-31g+(d).inp 000637759.td-b3lyp_6-31g+(d).log.xz

000637759.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637759.td-b3lyp_6-31+g(d).gjf (generated)

000637759.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637759.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637759.mol 000637759.PUBCHEM 000637759.mol (via Jmol)
000637760.b3lyp_6-31g(d).inp

000637760.b3lyp_6-31g(d).qchem.inp (generated)

000637760.b3lyp_6-31g(d).gjf (generated)

000637760.b3lyp_6-31g(d).firefly.inp (generated)

000637760.b3lyp_6-31g(d).smash.inp (generated)

000637760.b3lyp_6-31g(d).nwchem.inp (generated) 000637760.b3lyp_6-31g(d).log.xz 000637760.td-b3lyp_6-31g+(d).inp 000637760.td-b3lyp_6-31g+(d).log.xz

000637760.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637760.td-b3lyp_6-31+g(d).gjf (generated)

000637760.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637760.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637760.mol 000637760.PUBCHEM 000637760.mol (via Jmol)
000637761.b3lyp_6-31g(d).inp

000637761.b3lyp_6-31g(d).qchem.inp (generated)

000637761.b3lyp_6-31g(d).gjf (generated)

000637761.b3lyp_6-31g(d).firefly.inp (generated)

000637761.b3lyp_6-31g(d).smash.inp (generated)

000637761.b3lyp_6-31g(d).nwchem.inp (generated) 000637761.b3lyp_6-31g(d).log.xz 000637761.td-b3lyp_6-31g+(d).inp 000637761.td-b3lyp_6-31g+(d).log.xz

000637761.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637761.td-b3lyp_6-31+g(d).gjf (generated)

000637761.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637761.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637761.mol 000637761.PUBCHEM 000637761.mol (via Jmol)
000637762.b3lyp_6-31g(d).inp

000637762.b3lyp_6-31g(d).qchem.inp (generated)

000637762.b3lyp_6-31g(d).gjf (generated)

000637762.b3lyp_6-31g(d).firefly.inp (generated)

000637762.b3lyp_6-31g(d).smash.inp (generated)

000637762.b3lyp_6-31g(d).nwchem.inp (generated) 000637762.b3lyp_6-31g(d).log.xz 000637762.td-b3lyp_6-31g+(d).inp 000637762.td-b3lyp_6-31g+(d).log.xz

000637762.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637762.td-b3lyp_6-31+g(d).gjf (generated)

000637762.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637762.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637762.mol 000637762.PUBCHEM 000637762.mol (via Jmol)
000637764.b3lyp_6-31g(d).inp

000637764.b3lyp_6-31g(d).qchem.inp (generated)

000637764.b3lyp_6-31g(d).gjf (generated)

000637764.b3lyp_6-31g(d).firefly.inp (generated)

000637764.b3lyp_6-31g(d).smash.inp (generated)

000637764.b3lyp_6-31g(d).nwchem.inp (generated) 000637764.b3lyp_6-31g(d).log.xz 000637764.td-b3lyp_6-31g+(d).inp 000637764.td-b3lyp_6-31g+(d).log.xz

000637764.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637764.td-b3lyp_6-31+g(d).gjf (generated)

000637764.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637764.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637764.mol 000637764.PUBCHEM 000637764.mol (via Jmol)
000637765.b3lyp_6-31g(d).inp

000637765.b3lyp_6-31g(d).qchem.inp (generated)

000637765.b3lyp_6-31g(d).gjf (generated)

000637765.b3lyp_6-31g(d).firefly.inp (generated)

000637765.b3lyp_6-31g(d).smash.inp (generated)

000637765.b3lyp_6-31g(d).nwchem.inp (generated) 000637765.b3lyp_6-31g(d).log.xz 000637765.td-b3lyp_6-31g+(d).inp 000637765.td-b3lyp_6-31g+(d).log.xz

000637765.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637765.td-b3lyp_6-31+g(d).gjf (generated)

000637765.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637765.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637765.mol 000637765.PUBCHEM 000637765.mol (via Jmol)
000637767.b3lyp_6-31g(d).inp

000637767.b3lyp_6-31g(d).qchem.inp (generated)

000637767.b3lyp_6-31g(d).gjf (generated)

000637767.b3lyp_6-31g(d).firefly.inp (generated)

000637767.b3lyp_6-31g(d).smash.inp (generated)

000637767.b3lyp_6-31g(d).nwchem.inp (generated) 000637767.b3lyp_6-31g(d).log.xz 000637767.td-b3lyp_6-31g+(d).inp 000637767.td-b3lyp_6-31g+(d).log.xz

000637767.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637767.td-b3lyp_6-31+g(d).gjf (generated)

000637767.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637767.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637767.mol 000637767.PUBCHEM 000637767.mol (via Jmol)
000637768.b3lyp_6-31g(d).inp

000637768.b3lyp_6-31g(d).qchem.inp (generated)

000637768.b3lyp_6-31g(d).gjf (generated)

000637768.b3lyp_6-31g(d).firefly.inp (generated)

000637768.b3lyp_6-31g(d).smash.inp (generated)

000637768.b3lyp_6-31g(d).nwchem.inp (generated) 000637768.b3lyp_6-31g(d).log.xz 000637768.td-b3lyp_6-31g+(d).inp 000637768.td-b3lyp_6-31g+(d).log.xz

000637768.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637768.td-b3lyp_6-31+g(d).gjf (generated)

000637768.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637768.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637768.mol 000637768.PUBCHEM 000637768.mol (via Jmol)
000637769.b3lyp_6-31g(d).inp

000637769.b3lyp_6-31g(d).qchem.inp (generated)

000637769.b3lyp_6-31g(d).gjf (generated)

000637769.b3lyp_6-31g(d).firefly.inp (generated)

000637769.b3lyp_6-31g(d).smash.inp (generated)

000637769.b3lyp_6-31g(d).nwchem.inp (generated) 000637769.b3lyp_6-31g(d).log.xz 000637769.td-b3lyp_6-31g+(d).inp 000637769.td-b3lyp_6-31g+(d).log.xz

000637769.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637769.td-b3lyp_6-31+g(d).gjf (generated)

000637769.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637769.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637769.mol 000637769.PUBCHEM 000637769.mol (via Jmol)
000637770.b3lyp_6-31g(d).inp

000637770.b3lyp_6-31g(d).qchem.inp (generated)

000637770.b3lyp_6-31g(d).gjf (generated)

000637770.b3lyp_6-31g(d).firefly.inp (generated)

000637770.b3lyp_6-31g(d).smash.inp (generated)

000637770.b3lyp_6-31g(d).nwchem.inp (generated) 000637770.b3lyp_6-31g(d).log.xz 000637770.td-b3lyp_6-31g+(d).inp 000637770.td-b3lyp_6-31g+(d).log.xz

000637770.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637770.td-b3lyp_6-31+g(d).gjf (generated)

000637770.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637770.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637770.mol 000637770.PUBCHEM 000637770.mol (via Jmol)
000637771.b3lyp_6-31g(d).inp

000637771.b3lyp_6-31g(d).qchem.inp (generated)

000637771.b3lyp_6-31g(d).gjf (generated)

000637771.b3lyp_6-31g(d).firefly.inp (generated)

000637771.b3lyp_6-31g(d).smash.inp (generated)

000637771.b3lyp_6-31g(d).nwchem.inp (generated) 000637771.b3lyp_6-31g(d).log.xz 000637771.td-b3lyp_6-31g+(d).inp 000637771.td-b3lyp_6-31g+(d).log.xz

000637771.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637771.td-b3lyp_6-31+g(d).gjf (generated)

000637771.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637771.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637771.mol 000637771.PUBCHEM 000637771.mol (via Jmol)
000637772.b3lyp_6-31g(d).inp

000637772.b3lyp_6-31g(d).qchem.inp (generated)

000637772.b3lyp_6-31g(d).gjf (generated)

000637772.b3lyp_6-31g(d).firefly.inp (generated)

000637772.b3lyp_6-31g(d).smash.inp (generated)

000637772.b3lyp_6-31g(d).nwchem.inp (generated) 000637772.b3lyp_6-31g(d).log.xz 000637772.td-b3lyp_6-31g+(d).inp 000637772.td-b3lyp_6-31g+(d).log.xz

000637772.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637772.td-b3lyp_6-31+g(d).gjf (generated)

000637772.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637772.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637772.mol 000637772.PUBCHEM 000637772.mol (via Jmol)
000637773.b3lyp_6-31g(d).inp

000637773.b3lyp_6-31g(d).qchem.inp (generated)

000637773.b3lyp_6-31g(d).gjf (generated)

000637773.b3lyp_6-31g(d).firefly.inp (generated)

000637773.b3lyp_6-31g(d).smash.inp (generated)

000637773.b3lyp_6-31g(d).nwchem.inp (generated) 000637773.b3lyp_6-31g(d).log.xz 000637773.td-b3lyp_6-31g+(d).inp 000637773.td-b3lyp_6-31g+(d).log.xz

000637773.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637773.td-b3lyp_6-31+g(d).gjf (generated)

000637773.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637773.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637773.mol 000637773.PUBCHEM 000637773.mol (via Jmol)
000637774.b3lyp_6-31g(d).inp

000637774.b3lyp_6-31g(d).qchem.inp (generated)

000637774.b3lyp_6-31g(d).gjf (generated)

000637774.b3lyp_6-31g(d).firefly.inp (generated)

000637774.b3lyp_6-31g(d).smash.inp (generated)

000637774.b3lyp_6-31g(d).nwchem.inp (generated) 000637774.b3lyp_6-31g(d).log.xz 000637774.td-b3lyp_6-31g+(d).inp 000637774.td-b3lyp_6-31g+(d).log.xz

000637774.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637774.td-b3lyp_6-31+g(d).gjf (generated)

000637774.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637774.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637774.mol 000637774.PUBCHEM 000637774.mol (via Jmol)
000637775.b3lyp_6-31g(d).inp

000637775.b3lyp_6-31g(d).qchem.inp (generated)

000637775.b3lyp_6-31g(d).gjf (generated)

000637775.b3lyp_6-31g(d).firefly.inp (generated)

000637775.b3lyp_6-31g(d).smash.inp (generated)

000637775.b3lyp_6-31g(d).nwchem.inp (generated) 000637775.b3lyp_6-31g(d).log.xz 000637775.mol 000637775.PUBCHEM 000637775.mol (via Jmol)
000637776.b3lyp_6-31g(d).inp

000637776.b3lyp_6-31g(d).qchem.inp (generated)

000637776.b3lyp_6-31g(d).gjf (generated)

000637776.b3lyp_6-31g(d).firefly.inp (generated)

000637776.b3lyp_6-31g(d).smash.inp (generated)

000637776.b3lyp_6-31g(d).nwchem.inp (generated) 000637776.b3lyp_6-31g(d).log.xz 000637776.td-b3lyp_6-31g+(d).inp 000637776.td-b3lyp_6-31g+(d).log.xz

000637776.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637776.td-b3lyp_6-31+g(d).gjf (generated)

000637776.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637776.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637776.mol 000637776.PUBCHEM 000637776.mol (via Jmol)
000637777.b3lyp_6-31g(d).inp

000637777.b3lyp_6-31g(d).qchem.inp (generated)

000637777.b3lyp_6-31g(d).gjf (generated)

000637777.b3lyp_6-31g(d).firefly.inp (generated)

000637777.b3lyp_6-31g(d).smash.inp (generated)

000637777.b3lyp_6-31g(d).nwchem.inp (generated) 000637777.b3lyp_6-31g(d).log.xz 000637777.td-b3lyp_6-31g+(d).inp 000637777.td-b3lyp_6-31g+(d).log.xz

000637777.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637777.td-b3lyp_6-31+g(d).gjf (generated)

000637777.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637777.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637777.mol 000637777.PUBCHEM 000637777.mol (via Jmol)
000637778.b3lyp_6-31g(d).inp

000637778.b3lyp_6-31g(d).qchem.inp (generated)

000637778.b3lyp_6-31g(d).gjf (generated)

000637778.b3lyp_6-31g(d).firefly.inp (generated)

000637778.b3lyp_6-31g(d).smash.inp (generated)

000637778.b3lyp_6-31g(d).nwchem.inp (generated) 000637778.b3lyp_6-31g(d).log.xz 000637778.td-b3lyp_6-31g+(d).inp 000637778.td-b3lyp_6-31g+(d).log.xz

000637778.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637778.td-b3lyp_6-31+g(d).gjf (generated)

000637778.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637778.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637778.mol 000637778.PUBCHEM 000637778.mol (via Jmol)
000637779.b3lyp_6-31g(d).inp

000637779.b3lyp_6-31g(d).qchem.inp (generated)

000637779.b3lyp_6-31g(d).gjf (generated)

000637779.b3lyp_6-31g(d).firefly.inp (generated)

000637779.b3lyp_6-31g(d).smash.inp (generated)

000637779.b3lyp_6-31g(d).nwchem.inp (generated) 000637779.b3lyp_6-31g(d).log.xz 000637779.td-b3lyp_6-31g+(d).inp 000637779.td-b3lyp_6-31g+(d).log.xz

000637779.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637779.td-b3lyp_6-31+g(d).gjf (generated)

000637779.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637779.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637779.mol 000637779.PUBCHEM 000637779.mol (via Jmol)
000637780.b3lyp_6-31g(d).inp

000637780.b3lyp_6-31g(d).qchem.inp (generated)

000637780.b3lyp_6-31g(d).gjf (generated)

000637780.b3lyp_6-31g(d).firefly.inp (generated)

000637780.b3lyp_6-31g(d).smash.inp (generated)

000637780.b3lyp_6-31g(d).nwchem.inp (generated) 000637780.b3lyp_6-31g(d).log.xz 000637780.td-b3lyp_6-31g+(d).inp 000637780.td-b3lyp_6-31g+(d).log.xz

000637780.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637780.td-b3lyp_6-31+g(d).gjf (generated)

000637780.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637780.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637780.mol 000637780.PUBCHEM 000637780.mol (via Jmol)
000637781.b3lyp_6-31g(d).inp

000637781.b3lyp_6-31g(d).qchem.inp (generated)

000637781.b3lyp_6-31g(d).gjf (generated)

000637781.b3lyp_6-31g(d).firefly.inp (generated)

000637781.b3lyp_6-31g(d).smash.inp (generated)

000637781.b3lyp_6-31g(d).nwchem.inp (generated) 000637781.b3lyp_6-31g(d).log.xz 000637781.td-b3lyp_6-31g+(d).inp 000637781.td-b3lyp_6-31g+(d).log.xz

000637781.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637781.td-b3lyp_6-31+g(d).gjf (generated)

000637781.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637781.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637781.mol 000637781.PUBCHEM 000637781.mol (via Jmol)
000637782.b3lyp_6-31g(d).inp

000637782.b3lyp_6-31g(d).qchem.inp (generated)

000637782.b3lyp_6-31g(d).gjf (generated)

000637782.b3lyp_6-31g(d).firefly.inp (generated)

000637782.b3lyp_6-31g(d).smash.inp (generated)

000637782.b3lyp_6-31g(d).nwchem.inp (generated) 000637782.b3lyp_6-31g(d).log.xz 000637782.td-b3lyp_6-31g+(d).inp 000637782.td-b3lyp_6-31g+(d).log.xz

000637782.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637782.td-b3lyp_6-31+g(d).gjf (generated)

000637782.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637782.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637782.mol 000637782.PUBCHEM 000637782.mol (via Jmol)
000637783.b3lyp_6-31g(d).inp

000637783.b3lyp_6-31g(d).qchem.inp (generated)

000637783.b3lyp_6-31g(d).gjf (generated)

000637783.b3lyp_6-31g(d).firefly.inp (generated)

000637783.b3lyp_6-31g(d).smash.inp (generated)

000637783.b3lyp_6-31g(d).nwchem.inp (generated) 000637783.b3lyp_6-31g(d).log.xz 000637783.td-b3lyp_6-31g+(d).inp 000637783.td-b3lyp_6-31g+(d).log.xz

000637783.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637783.td-b3lyp_6-31+g(d).gjf (generated)

000637783.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637783.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637783.mol 000637783.PUBCHEM 000637783.mol (via Jmol)
000637784.b3lyp_6-31g(d).inp

000637784.b3lyp_6-31g(d).qchem.inp (generated)

000637784.b3lyp_6-31g(d).gjf (generated)

000637784.b3lyp_6-31g(d).firefly.inp (generated)

000637784.b3lyp_6-31g(d).smash.inp (generated)

000637784.b3lyp_6-31g(d).nwchem.inp (generated) 000637784.b3lyp_6-31g(d).log.xz 000637784.td-b3lyp_6-31g+(d).inp 000637784.td-b3lyp_6-31g+(d).log.xz

000637784.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637784.td-b3lyp_6-31+g(d).gjf (generated)

000637784.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637784.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637784.mol 000637784.PUBCHEM 000637784.mol (via Jmol)
000637785.b3lyp_6-31g(d).inp

000637785.b3lyp_6-31g(d).qchem.inp (generated)

000637785.b3lyp_6-31g(d).gjf (generated)

000637785.b3lyp_6-31g(d).firefly.inp (generated)

000637785.b3lyp_6-31g(d).smash.inp (generated)

000637785.b3lyp_6-31g(d).nwchem.inp (generated) 000637785.b3lyp_6-31g(d).log.xz 000637785.td-b3lyp_6-31g+(d).inp 000637785.td-b3lyp_6-31g+(d).log.xz

000637785.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637785.td-b3lyp_6-31+g(d).gjf (generated)

000637785.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637785.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637785.mol 000637785.PUBCHEM 000637785.mol (via Jmol)
000637787.b3lyp_6-31g(d).inp

000637787.b3lyp_6-31g(d).qchem.inp (generated)

000637787.b3lyp_6-31g(d).gjf (generated)

000637787.b3lyp_6-31g(d).firefly.inp (generated)

000637787.b3lyp_6-31g(d).smash.inp (generated)

000637787.b3lyp_6-31g(d).nwchem.inp (generated) 000637787.b3lyp_6-31g(d).log.xz 000637787.td-b3lyp_6-31g+(d).inp 000637787.td-b3lyp_6-31g+(d).log.xz

000637787.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637787.td-b3lyp_6-31+g(d).gjf (generated)

000637787.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637787.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637787.mol 000637787.PUBCHEM 000637787.mol (via Jmol)
000637789.b3lyp_6-31g(d).inp

000637789.b3lyp_6-31g(d).qchem.inp (generated)

000637789.b3lyp_6-31g(d).gjf (generated)

000637789.b3lyp_6-31g(d).firefly.inp (generated)

000637789.b3lyp_6-31g(d).smash.inp (generated)

000637789.b3lyp_6-31g(d).nwchem.inp (generated) 000637789.b3lyp_6-31g(d).log.xz 000637789.td-b3lyp_6-31g+(d).inp 000637789.td-b3lyp_6-31g+(d).log.xz

000637789.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637789.td-b3lyp_6-31+g(d).gjf (generated)

000637789.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637789.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637789.mol 000637789.PUBCHEM 000637789.mol (via Jmol)
000637793.b3lyp_6-31g(d).inp

000637793.b3lyp_6-31g(d).qchem.inp (generated)

000637793.b3lyp_6-31g(d).gjf (generated)

000637793.b3lyp_6-31g(d).firefly.inp (generated)

000637793.b3lyp_6-31g(d).smash.inp (generated)

000637793.b3lyp_6-31g(d).nwchem.inp (generated) 000637793.b3lyp_6-31g(d).log.xz 000637793.td-b3lyp_6-31g+(d).inp 000637793.td-b3lyp_6-31g+(d).log.xz

000637793.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637793.td-b3lyp_6-31+g(d).gjf (generated)

000637793.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637793.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637793.mol 000637793.PUBCHEM 000637793.mol (via Jmol)
000637795.b3lyp_6-31g(d).inp

000637795.b3lyp_6-31g(d).qchem.inp (generated)

000637795.b3lyp_6-31g(d).gjf (generated)

000637795.b3lyp_6-31g(d).firefly.inp (generated)

000637795.b3lyp_6-31g(d).smash.inp (generated)

000637795.b3lyp_6-31g(d).nwchem.inp (generated) 000637795.b3lyp_6-31g(d).log.xz 000637795.td-b3lyp_6-31g+(d).inp 000637795.td-b3lyp_6-31g+(d).log.xz

000637795.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637795.td-b3lyp_6-31+g(d).gjf (generated)

000637795.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637795.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637795.mol 000637795.PUBCHEM 000637795.mol (via Jmol)
000637796.b3lyp_6-31g(d).inp

000637796.b3lyp_6-31g(d).qchem.inp (generated)

000637796.b3lyp_6-31g(d).gjf (generated)

000637796.b3lyp_6-31g(d).firefly.inp (generated)

000637796.b3lyp_6-31g(d).smash.inp (generated)

000637796.b3lyp_6-31g(d).nwchem.inp (generated) 000637796.b3lyp_6-31g(d).log.xz 000637796.td-b3lyp_6-31g+(d).inp 000637796.td-b3lyp_6-31g+(d).log.xz

000637796.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637796.td-b3lyp_6-31+g(d).gjf (generated)

000637796.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637796.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637796.mol 000637796.PUBCHEM 000637796.mol (via Jmol)
000637797.b3lyp_6-31g(d).inp

000637797.b3lyp_6-31g(d).qchem.inp (generated)

000637797.b3lyp_6-31g(d).gjf (generated)

000637797.b3lyp_6-31g(d).firefly.inp (generated)

000637797.b3lyp_6-31g(d).smash.inp (generated)

000637797.b3lyp_6-31g(d).nwchem.inp (generated) 000637797.b3lyp_6-31g(d).log.xz 000637797.td-b3lyp_6-31g+(d).inp 000637797.td-b3lyp_6-31g+(d).log.xz

000637797.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637797.td-b3lyp_6-31+g(d).gjf (generated)

000637797.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637797.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637797.mol 000637797.PUBCHEM 000637797.mol (via Jmol)
000637798.b3lyp_6-31g(d).inp

000637798.b3lyp_6-31g(d).qchem.inp (generated)

000637798.b3lyp_6-31g(d).gjf (generated)

000637798.b3lyp_6-31g(d).firefly.inp (generated)

000637798.b3lyp_6-31g(d).smash.inp (generated)

000637798.b3lyp_6-31g(d).nwchem.inp (generated) 000637798.b3lyp_6-31g(d).log.xz 000637798.td-b3lyp_6-31g+(d).inp 000637798.td-b3lyp_6-31g+(d).log.xz

000637798.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637798.td-b3lyp_6-31+g(d).gjf (generated)

000637798.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637798.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637798.mol 000637798.PUBCHEM 000637798.mol (via Jmol)
000637799.b3lyp_6-31g(d).inp

000637799.b3lyp_6-31g(d).qchem.inp (generated)

000637799.b3lyp_6-31g(d).gjf (generated)

000637799.b3lyp_6-31g(d).firefly.inp (generated)

000637799.b3lyp_6-31g(d).smash.inp (generated)

000637799.b3lyp_6-31g(d).nwchem.inp (generated) 000637799.b3lyp_6-31g(d).log.xz 000637799.td-b3lyp_6-31g+(d).inp 000637799.td-b3lyp_6-31g+(d).log.xz

000637799.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637799.td-b3lyp_6-31+g(d).gjf (generated)

000637799.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637799.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637799.mol 000637799.PUBCHEM 000637799.mol (via Jmol)
000637800.b3lyp_6-31g(d).inp

000637800.b3lyp_6-31g(d).qchem.inp (generated)

000637800.b3lyp_6-31g(d).gjf (generated)

000637800.b3lyp_6-31g(d).firefly.inp (generated)

000637800.b3lyp_6-31g(d).smash.inp (generated)

000637800.b3lyp_6-31g(d).nwchem.inp (generated) 000637800.b3lyp_6-31g(d).log.xz 000637800.td-b3lyp_6-31g+(d).inp 000637800.td-b3lyp_6-31g+(d).log.xz

000637800.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637800.td-b3lyp_6-31+g(d).gjf (generated)

000637800.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637800.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637800.mol 000637800.PUBCHEM 000637800.mol (via Jmol)
000637801.b3lyp_6-31g(d).inp

000637801.b3lyp_6-31g(d).qchem.inp (generated)

000637801.b3lyp_6-31g(d).gjf (generated)

000637801.b3lyp_6-31g(d).firefly.inp (generated)

000637801.b3lyp_6-31g(d).smash.inp (generated)

000637801.b3lyp_6-31g(d).nwchem.inp (generated) 000637801.b3lyp_6-31g(d).log.xz 000637801.td-b3lyp_6-31g+(d).inp 000637801.td-b3lyp_6-31g+(d).log.xz

000637801.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637801.td-b3lyp_6-31+g(d).gjf (generated)

000637801.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637801.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637801.mol 000637801.PUBCHEM 000637801.mol (via Jmol)
000637802.b3lyp_6-31g(d).inp

000637802.b3lyp_6-31g(d).qchem.inp (generated)

000637802.b3lyp_6-31g(d).gjf (generated)

000637802.b3lyp_6-31g(d).firefly.inp (generated)

000637802.b3lyp_6-31g(d).smash.inp (generated)

000637802.b3lyp_6-31g(d).nwchem.inp (generated) 000637802.b3lyp_6-31g(d).log.xz 000637802.td-b3lyp_6-31g+(d).inp 000637802.td-b3lyp_6-31g+(d).log.xz

000637802.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637802.td-b3lyp_6-31+g(d).gjf (generated)

000637802.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637802.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637802.mol 000637802.PUBCHEM 000637802.mol (via Jmol)
000637803.b3lyp_6-31g(d).inp

000637803.b3lyp_6-31g(d).qchem.inp (generated)

000637803.b3lyp_6-31g(d).gjf (generated)

000637803.b3lyp_6-31g(d).firefly.inp (generated)

000637803.b3lyp_6-31g(d).smash.inp (generated)

000637803.b3lyp_6-31g(d).nwchem.inp (generated) 000637803.b3lyp_6-31g(d).log.xz 000637803.td-b3lyp_6-31g+(d).inp 000637803.td-b3lyp_6-31g+(d).log.xz

000637803.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637803.td-b3lyp_6-31+g(d).gjf (generated)

000637803.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637803.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637803.mol 000637803.PUBCHEM 000637803.mol (via Jmol)
000637804.b3lyp_6-31g(d).inp

000637804.b3lyp_6-31g(d).qchem.inp (generated)

000637804.b3lyp_6-31g(d).gjf (generated)

000637804.b3lyp_6-31g(d).firefly.inp (generated)

000637804.b3lyp_6-31g(d).smash.inp (generated)

000637804.b3lyp_6-31g(d).nwchem.inp (generated) 000637804.b3lyp_6-31g(d).log.xz 000637804.td-b3lyp_6-31g+(d).inp 000637804.td-b3lyp_6-31g+(d).log.xz

000637804.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637804.td-b3lyp_6-31+g(d).gjf (generated)

000637804.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637804.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637804.mol 000637804.PUBCHEM 000637804.mol (via Jmol)
000637805.b3lyp_6-31g(d).inp

000637805.b3lyp_6-31g(d).qchem.inp (generated)

000637805.b3lyp_6-31g(d).gjf (generated)

000637805.b3lyp_6-31g(d).firefly.inp (generated)

000637805.b3lyp_6-31g(d).smash.inp (generated)

000637805.b3lyp_6-31g(d).nwchem.inp (generated) 000637805.b3lyp_6-31g(d).log.xz 000637805.td-b3lyp_6-31g+(d).inp 000637805.td-b3lyp_6-31g+(d).log.xz

000637805.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637805.td-b3lyp_6-31+g(d).gjf (generated)

000637805.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637805.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637805.mol 000637805.PUBCHEM 000637805.mol (via Jmol)
000637806.b3lyp_6-31g(d).inp

000637806.b3lyp_6-31g(d).qchem.inp (generated)

000637806.b3lyp_6-31g(d).gjf (generated)

000637806.b3lyp_6-31g(d).firefly.inp (generated)

000637806.b3lyp_6-31g(d).smash.inp (generated)

000637806.b3lyp_6-31g(d).nwchem.inp (generated) 000637806.b3lyp_6-31g(d).log.xz 000637806.td-b3lyp_6-31g+(d).inp 000637806.td-b3lyp_6-31g+(d).log.xz

000637806.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637806.td-b3lyp_6-31+g(d).gjf (generated)

000637806.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637806.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637806.mol 000637806.PUBCHEM 000637806.mol (via Jmol)
000637807.b3lyp_6-31g(d).inp

000637807.b3lyp_6-31g(d).qchem.inp (generated)

000637807.b3lyp_6-31g(d).gjf (generated)

000637807.b3lyp_6-31g(d).firefly.inp (generated)

000637807.b3lyp_6-31g(d).smash.inp (generated)

000637807.b3lyp_6-31g(d).nwchem.inp (generated) 000637807.b3lyp_6-31g(d).log.xz 000637807.td-b3lyp_6-31g+(d).inp 000637807.td-b3lyp_6-31g+(d).log.xz

000637807.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637807.td-b3lyp_6-31+g(d).gjf (generated)

000637807.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637807.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637807.mol 000637807.PUBCHEM 000637807.mol (via Jmol)
000637808.b3lyp_6-31g(d).inp

000637808.b3lyp_6-31g(d).qchem.inp (generated)

000637808.b3lyp_6-31g(d).gjf (generated)

000637808.b3lyp_6-31g(d).firefly.inp (generated)

000637808.b3lyp_6-31g(d).smash.inp (generated)

000637808.b3lyp_6-31g(d).nwchem.inp (generated) 000637808.b3lyp_6-31g(d).log.xz 000637808.td-b3lyp_6-31g+(d).inp 000637808.td-b3lyp_6-31g+(d).log.xz

000637808.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637808.td-b3lyp_6-31+g(d).gjf (generated)

000637808.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637808.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637808.mol 000637808.PUBCHEM 000637808.mol (via Jmol)
000637809.b3lyp_6-31g(d).inp

000637809.b3lyp_6-31g(d).qchem.inp (generated)

000637809.b3lyp_6-31g(d).gjf (generated)

000637809.b3lyp_6-31g(d).firefly.inp (generated)

000637809.b3lyp_6-31g(d).smash.inp (generated)

000637809.b3lyp_6-31g(d).nwchem.inp (generated) 000637809.b3lyp_6-31g(d).log.xz 000637809.td-b3lyp_6-31g+(d).inp 000637809.td-b3lyp_6-31g+(d).log.xz

000637809.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637809.td-b3lyp_6-31+g(d).gjf (generated)

000637809.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637809.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637809.mol 000637809.PUBCHEM 000637809.mol (via Jmol)
000637810.b3lyp_6-31g(d).inp

000637810.b3lyp_6-31g(d).qchem.inp (generated)

000637810.b3lyp_6-31g(d).gjf (generated)

000637810.b3lyp_6-31g(d).firefly.inp (generated)

000637810.b3lyp_6-31g(d).smash.inp (generated)

000637810.b3lyp_6-31g(d).nwchem.inp (generated) 000637810.b3lyp_6-31g(d).log.xz 000637810.td-b3lyp_6-31g+(d).inp 000637810.td-b3lyp_6-31g+(d).log.xz

000637810.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637810.td-b3lyp_6-31+g(d).gjf (generated)

000637810.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637810.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637810.mol 000637810.PUBCHEM 000637810.mol (via Jmol)
000637811.b3lyp_6-31g(d).inp

000637811.b3lyp_6-31g(d).qchem.inp (generated)

000637811.b3lyp_6-31g(d).gjf (generated)

000637811.b3lyp_6-31g(d).firefly.inp (generated)

000637811.b3lyp_6-31g(d).smash.inp (generated)

000637811.b3lyp_6-31g(d).nwchem.inp (generated) 000637811.b3lyp_6-31g(d).log.xz 000637811.td-b3lyp_6-31g+(d).inp 000637811.td-b3lyp_6-31g+(d).log.xz

000637811.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637811.td-b3lyp_6-31+g(d).gjf (generated)

000637811.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637811.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637811.mol 000637811.PUBCHEM 000637811.mol (via Jmol)
000637812.b3lyp_6-31g(d).inp

000637812.b3lyp_6-31g(d).qchem.inp (generated)

000637812.b3lyp_6-31g(d).gjf (generated)

000637812.b3lyp_6-31g(d).firefly.inp (generated)

000637812.b3lyp_6-31g(d).smash.inp (generated)

000637812.b3lyp_6-31g(d).nwchem.inp (generated) 000637812.b3lyp_6-31g(d).log.xz 000637812.td-b3lyp_6-31g+(d).inp 000637812.td-b3lyp_6-31g+(d).log.xz

000637812.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637812.td-b3lyp_6-31+g(d).gjf (generated)

000637812.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637812.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637812.mol 000637812.PUBCHEM 000637812.mol (via Jmol)
000637813.b3lyp_6-31g(d).inp

000637813.b3lyp_6-31g(d).qchem.inp (generated)

000637813.b3lyp_6-31g(d).gjf (generated)

000637813.b3lyp_6-31g(d).firefly.inp (generated)

000637813.b3lyp_6-31g(d).smash.inp (generated)

000637813.b3lyp_6-31g(d).nwchem.inp (generated) 000637813.b3lyp_6-31g(d).log.xz 000637813.td-b3lyp_6-31g+(d).inp 000637813.td-b3lyp_6-31g+(d).log.xz

000637813.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637813.td-b3lyp_6-31+g(d).gjf (generated)

000637813.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637813.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637813.mol 000637813.PUBCHEM 000637813.mol (via Jmol)
000637814.b3lyp_6-31g(d).inp

000637814.b3lyp_6-31g(d).qchem.inp (generated)

000637814.b3lyp_6-31g(d).gjf (generated)

000637814.b3lyp_6-31g(d).firefly.inp (generated)

000637814.b3lyp_6-31g(d).smash.inp (generated)

000637814.b3lyp_6-31g(d).nwchem.inp (generated) 000637814.b3lyp_6-31g(d).log.xz 000637814.td-b3lyp_6-31g+(d).inp 000637814.td-b3lyp_6-31g+(d).log.xz

000637814.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637814.td-b3lyp_6-31+g(d).gjf (generated)

000637814.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637814.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637814.mol 000637814.PUBCHEM 000637814.mol (via Jmol)
000637815.b3lyp_6-31g(d).inp

000637815.b3lyp_6-31g(d).qchem.inp (generated)

000637815.b3lyp_6-31g(d).gjf (generated)

000637815.b3lyp_6-31g(d).firefly.inp (generated)

000637815.b3lyp_6-31g(d).smash.inp (generated)

000637815.b3lyp_6-31g(d).nwchem.inp (generated) 000637815.b3lyp_6-31g(d).log.xz 000637815.td-b3lyp_6-31g+(d).inp 000637815.td-b3lyp_6-31g+(d).log.xz

000637815.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637815.td-b3lyp_6-31+g(d).gjf (generated)

000637815.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637815.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637815.mol 000637815.PUBCHEM 000637815.mol (via Jmol)
000637816.b3lyp_6-31g(d).inp

000637816.b3lyp_6-31g(d).qchem.inp (generated)

000637816.b3lyp_6-31g(d).gjf (generated)

000637816.b3lyp_6-31g(d).firefly.inp (generated)

000637816.b3lyp_6-31g(d).smash.inp (generated)

000637816.b3lyp_6-31g(d).nwchem.inp (generated) 000637816.b3lyp_6-31g(d).log.xz 000637816.td-b3lyp_6-31g+(d).inp 000637816.td-b3lyp_6-31g+(d).log.xz

000637816.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637816.td-b3lyp_6-31+g(d).gjf (generated)

000637816.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637816.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637816.mol 000637816.PUBCHEM 000637816.mol (via Jmol)
000637817.b3lyp_6-31g(d).inp

000637817.b3lyp_6-31g(d).qchem.inp (generated)

000637817.b3lyp_6-31g(d).gjf (generated)

000637817.b3lyp_6-31g(d).firefly.inp (generated)

000637817.b3lyp_6-31g(d).smash.inp (generated)

000637817.b3lyp_6-31g(d).nwchem.inp (generated) 000637817.b3lyp_6-31g(d).log.xz 000637817.td-b3lyp_6-31g+(d).inp 000637817.td-b3lyp_6-31g+(d).log.xz

000637817.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637817.td-b3lyp_6-31+g(d).gjf (generated)

000637817.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637817.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637817.mol 000637817.PUBCHEM 000637817.mol (via Jmol)
000637818.b3lyp_6-31g(d).inp

000637818.b3lyp_6-31g(d).qchem.inp (generated)

000637818.b3lyp_6-31g(d).gjf (generated)

000637818.b3lyp_6-31g(d).firefly.inp (generated)

000637818.b3lyp_6-31g(d).smash.inp (generated)

000637818.b3lyp_6-31g(d).nwchem.inp (generated) 000637818.b3lyp_6-31g(d).log.xz 000637818.td-b3lyp_6-31g+(d).inp 000637818.td-b3lyp_6-31g+(d).log.xz

000637818.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637818.td-b3lyp_6-31+g(d).gjf (generated)

000637818.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637818.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637818.mol 000637818.PUBCHEM 000637818.mol (via Jmol)
000637819.b3lyp_6-31g(d).inp

000637819.b3lyp_6-31g(d).qchem.inp (generated)

000637819.b3lyp_6-31g(d).gjf (generated)

000637819.b3lyp_6-31g(d).firefly.inp (generated)

000637819.b3lyp_6-31g(d).smash.inp (generated)

000637819.b3lyp_6-31g(d).nwchem.inp (generated) 000637819.b3lyp_6-31g(d).log.xz 000637819.td-b3lyp_6-31g+(d).inp 000637819.td-b3lyp_6-31g+(d).log.xz

000637819.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637819.td-b3lyp_6-31+g(d).gjf (generated)

000637819.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637819.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637819.mol 000637819.PUBCHEM 000637819.mol (via Jmol)
000637822.b3lyp_6-31g(d).inp

000637822.b3lyp_6-31g(d).qchem.inp (generated)

000637822.b3lyp_6-31g(d).gjf (generated)

000637822.b3lyp_6-31g(d).firefly.inp (generated)

000637822.b3lyp_6-31g(d).smash.inp (generated)

000637822.b3lyp_6-31g(d).nwchem.inp (generated) 000637822.b3lyp_6-31g(d).log.xz 000637822.td-b3lyp_6-31g+(d).inp 000637822.td-b3lyp_6-31g+(d).log.xz

000637822.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637822.td-b3lyp_6-31+g(d).gjf (generated)

000637822.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637822.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637822.mol 000637822.PUBCHEM 000637822.mol (via Jmol)
000637838.b3lyp_6-31g(d).inp

000637838.b3lyp_6-31g(d).qchem.inp (generated)

000637838.b3lyp_6-31g(d).gjf (generated)

000637838.b3lyp_6-31g(d).firefly.inp (generated)

000637838.b3lyp_6-31g(d).smash.inp (generated)

000637838.b3lyp_6-31g(d).nwchem.inp (generated) 000637838.b3lyp_6-31g(d).log.xz 000637838.td-b3lyp_6-31g+(d).inp 000637838.td-b3lyp_6-31g+(d).log.xz

000637838.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637838.td-b3lyp_6-31+g(d).gjf (generated)

000637838.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637838.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637838.mol 000637838.PUBCHEM 000637838.mol (via Jmol)
000637853.b3lyp_6-31g(d).inp

000637853.b3lyp_6-31g(d).qchem.inp (generated)

000637853.b3lyp_6-31g(d).gjf (generated)

000637853.b3lyp_6-31g(d).firefly.inp (generated)

000637853.b3lyp_6-31g(d).smash.inp (generated)

000637853.b3lyp_6-31g(d).nwchem.inp (generated) 000637853.b3lyp_6-31g(d).log.xz 000637853.td-b3lyp_6-31g+(d).inp 000637853.td-b3lyp_6-31g+(d).log.xz

000637853.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637853.td-b3lyp_6-31+g(d).gjf (generated)

000637853.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637853.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637853.mol 000637853.PUBCHEM 000637853.mol (via Jmol)
000637862.b3lyp_6-31g(d).inp

000637862.b3lyp_6-31g(d).qchem.inp (generated)

000637862.b3lyp_6-31g(d).gjf (generated)

000637862.b3lyp_6-31g(d).firefly.inp (generated)

000637862.b3lyp_6-31g(d).smash.inp (generated)

000637862.b3lyp_6-31g(d).nwchem.inp (generated) 000637862.b3lyp_6-31g(d).log.xz 000637862.td-b3lyp_6-31g+(d).inp 000637862.td-b3lyp_6-31g+(d).log.xz

000637862.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637862.td-b3lyp_6-31+g(d).gjf (generated)

000637862.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637862.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637862.mol 000637862.PUBCHEM 000637862.mol (via Jmol)
000637873.b3lyp_6-31g(d).inp

000637873.b3lyp_6-31g(d).qchem.inp (generated)

000637873.b3lyp_6-31g(d).gjf (generated)

000637873.b3lyp_6-31g(d).firefly.inp (generated)

000637873.b3lyp_6-31g(d).smash.inp (generated)

000637873.b3lyp_6-31g(d).nwchem.inp (generated) 000637873.b3lyp_6-31g(d).log.xz 000637873.td-b3lyp_6-31g+(d).inp 000637873.td-b3lyp_6-31g+(d).log.xz

000637873.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637873.td-b3lyp_6-31+g(d).gjf (generated)

000637873.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637873.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637873.mol 000637873.PUBCHEM 000637873.mol (via Jmol)
000637881.b3lyp_6-31g(d).inp

000637881.b3lyp_6-31g(d).qchem.inp (generated)

000637881.b3lyp_6-31g(d).gjf (generated)

000637881.b3lyp_6-31g(d).firefly.inp (generated)

000637881.b3lyp_6-31g(d).smash.inp (generated)

000637881.b3lyp_6-31g(d).nwchem.inp (generated) 000637881.b3lyp_6-31g(d).log.xz 000637881.td-b3lyp_6-31g+(d).inp 000637881.td-b3lyp_6-31g+(d).log.xz

000637881.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637881.td-b3lyp_6-31+g(d).gjf (generated)

000637881.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637881.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637881.mol 000637881.PUBCHEM 000637881.mol (via Jmol)
000637883.b3lyp_6-31g(d).inp

000637883.b3lyp_6-31g(d).qchem.inp (generated)

000637883.b3lyp_6-31g(d).gjf (generated)

000637883.b3lyp_6-31g(d).firefly.inp (generated)

000637883.b3lyp_6-31g(d).smash.inp (generated)

000637883.b3lyp_6-31g(d).nwchem.inp (generated) 000637883.b3lyp_6-31g(d).log.xz 000637883.td-b3lyp_6-31g+(d).inp 000637883.td-b3lyp_6-31g+(d).log.xz

000637883.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637883.td-b3lyp_6-31+g(d).gjf (generated)

000637883.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637883.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637883.mol 000637883.PUBCHEM 000637883.mol (via Jmol)
000637886.b3lyp_6-31g(d).inp

000637886.b3lyp_6-31g(d).qchem.inp (generated)

000637886.b3lyp_6-31g(d).gjf (generated)

000637886.b3lyp_6-31g(d).firefly.inp (generated)

000637886.b3lyp_6-31g(d).smash.inp (generated)

000637886.b3lyp_6-31g(d).nwchem.inp (generated) 000637886.b3lyp_6-31g(d).log.xz 000637886.td-b3lyp_6-31g+(d).inp 000637886.td-b3lyp_6-31g+(d).log.xz

000637886.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637886.td-b3lyp_6-31+g(d).gjf (generated)

000637886.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637886.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637886.mol 000637886.PUBCHEM 000637886.mol (via Jmol)
000637892.b3lyp_6-31g(d).inp

000637892.b3lyp_6-31g(d).qchem.inp (generated)

000637892.b3lyp_6-31g(d).gjf (generated)

000637892.b3lyp_6-31g(d).firefly.inp (generated)

000637892.b3lyp_6-31g(d).smash.inp (generated)

000637892.b3lyp_6-31g(d).nwchem.inp (generated) 000637892.b3lyp_6-31g(d).log.xz 000637892.td-b3lyp_6-31g+(d).inp 000637892.td-b3lyp_6-31g+(d).log.xz

000637892.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637892.td-b3lyp_6-31+g(d).gjf (generated)

000637892.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637892.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637892.mol 000637892.PUBCHEM 000637892.mol (via Jmol)
000637894.b3lyp_6-31g(d).inp

000637894.b3lyp_6-31g(d).qchem.inp (generated)

000637894.b3lyp_6-31g(d).gjf (generated)

000637894.b3lyp_6-31g(d).firefly.inp (generated)

000637894.b3lyp_6-31g(d).smash.inp (generated)

000637894.b3lyp_6-31g(d).nwchem.inp (generated) 000637894.b3lyp_6-31g(d).log.xz 000637894.td-b3lyp_6-31g+(d).inp 000637894.td-b3lyp_6-31g+(d).log.xz

000637894.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637894.td-b3lyp_6-31+g(d).gjf (generated)

000637894.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637894.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637894.mol 000637894.PUBCHEM 000637894.mol (via Jmol)
000637895.b3lyp_6-31g(d).inp

000637895.b3lyp_6-31g(d).qchem.inp (generated)

000637895.b3lyp_6-31g(d).gjf (generated)

000637895.b3lyp_6-31g(d).firefly.inp (generated)

000637895.b3lyp_6-31g(d).smash.inp (generated)

000637895.b3lyp_6-31g(d).nwchem.inp (generated) 000637895.b3lyp_6-31g(d).log.xz 000637895.td-b3lyp_6-31g+(d).inp 000637895.td-b3lyp_6-31g+(d).log.xz

000637895.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637895.td-b3lyp_6-31+g(d).gjf (generated)

000637895.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637895.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637895.mol 000637895.PUBCHEM 000637895.mol (via Jmol)
000637896.b3lyp_6-31g(d).inp

000637896.b3lyp_6-31g(d).qchem.inp (generated)

000637896.b3lyp_6-31g(d).gjf (generated)

000637896.b3lyp_6-31g(d).firefly.inp (generated)

000637896.b3lyp_6-31g(d).smash.inp (generated)

000637896.b3lyp_6-31g(d).nwchem.inp (generated) 000637896.b3lyp_6-31g(d).log.xz 000637896.td-b3lyp_6-31g+(d).inp 000637896.td-b3lyp_6-31g+(d).log.xz

000637896.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637896.td-b3lyp_6-31+g(d).gjf (generated)

000637896.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637896.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637896.mol 000637896.PUBCHEM 000637896.mol (via Jmol)
000637897.b3lyp_6-31g(d).inp

000637897.b3lyp_6-31g(d).qchem.inp (generated)

000637897.b3lyp_6-31g(d).gjf (generated)

000637897.b3lyp_6-31g(d).firefly.inp (generated)

000637897.b3lyp_6-31g(d).smash.inp (generated)

000637897.b3lyp_6-31g(d).nwchem.inp (generated) 000637897.b3lyp_6-31g(d).log.xz 000637897.td-b3lyp_6-31g+(d).inp 000637897.td-b3lyp_6-31g+(d).log.xz

000637897.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637897.td-b3lyp_6-31+g(d).gjf (generated)

000637897.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637897.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637897.mol 000637897.PUBCHEM 000637897.mol (via Jmol)
000637898.b3lyp_6-31g(d).inp

000637898.b3lyp_6-31g(d).qchem.inp (generated)

000637898.b3lyp_6-31g(d).gjf (generated)

000637898.b3lyp_6-31g(d).firefly.inp (generated)

000637898.b3lyp_6-31g(d).smash.inp (generated)

000637898.b3lyp_6-31g(d).nwchem.inp (generated) 000637898.b3lyp_6-31g(d).log.xz 000637898.td-b3lyp_6-31g+(d).inp 000637898.td-b3lyp_6-31g+(d).log.xz

000637898.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637898.td-b3lyp_6-31+g(d).gjf (generated)

000637898.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637898.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637898.mol 000637898.PUBCHEM 000637898.mol (via Jmol)
000637899.b3lyp_6-31g(d).inp

000637899.b3lyp_6-31g(d).qchem.inp (generated)

000637899.b3lyp_6-31g(d).gjf (generated)

000637899.b3lyp_6-31g(d).firefly.inp (generated)

000637899.b3lyp_6-31g(d).smash.inp (generated)

000637899.b3lyp_6-31g(d).nwchem.inp (generated) 000637899.b3lyp_6-31g(d).log.xz 000637899.td-b3lyp_6-31g+(d).inp 000637899.td-b3lyp_6-31g+(d).log.xz

000637899.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637899.td-b3lyp_6-31+g(d).gjf (generated)

000637899.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637899.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637899.mol 000637899.PUBCHEM 000637899.mol (via Jmol)
000637900.b3lyp_6-31g(d).inp

000637900.b3lyp_6-31g(d).qchem.inp (generated)

000637900.b3lyp_6-31g(d).gjf (generated)

000637900.b3lyp_6-31g(d).firefly.inp (generated)

000637900.b3lyp_6-31g(d).smash.inp (generated)

000637900.b3lyp_6-31g(d).nwchem.inp (generated) 000637900.b3lyp_6-31g(d).log.xz 000637900.td-b3lyp_6-31g+(d).inp 000637900.td-b3lyp_6-31g+(d).log.xz

000637900.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637900.td-b3lyp_6-31+g(d).gjf (generated)

000637900.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637900.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637900.mol 000637900.PUBCHEM 000637900.mol (via Jmol)
000637902.b3lyp_6-31g(d).inp

000637902.b3lyp_6-31g(d).qchem.inp (generated)

000637902.b3lyp_6-31g(d).gjf (generated)

000637902.b3lyp_6-31g(d).firefly.inp (generated)

000637902.b3lyp_6-31g(d).smash.inp (generated)

000637902.b3lyp_6-31g(d).nwchem.inp (generated) 000637902.b3lyp_6-31g(d).log.xz 000637902.td-b3lyp_6-31g+(d).inp 000637902.td-b3lyp_6-31g+(d).log.xz

000637902.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637902.td-b3lyp_6-31+g(d).gjf (generated)

000637902.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637902.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637902.mol 000637902.PUBCHEM 000637902.mol (via Jmol)
000637903.b3lyp_6-31g(d).inp

000637903.b3lyp_6-31g(d).qchem.inp (generated)

000637903.b3lyp_6-31g(d).gjf (generated)

000637903.b3lyp_6-31g(d).firefly.inp (generated)

000637903.b3lyp_6-31g(d).smash.inp (generated)

000637903.b3lyp_6-31g(d).nwchem.inp (generated) 000637903.b3lyp_6-31g(d).log.xz 000637903.td-b3lyp_6-31g+(d).inp 000637903.td-b3lyp_6-31g+(d).log.xz

000637903.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637903.td-b3lyp_6-31+g(d).gjf (generated)

000637903.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637903.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637903.mol 000637903.PUBCHEM 000637903.mol (via Jmol)
000637904.b3lyp_6-31g(d).inp

000637904.b3lyp_6-31g(d).qchem.inp (generated)

000637904.b3lyp_6-31g(d).gjf (generated)

000637904.b3lyp_6-31g(d).firefly.inp (generated)

000637904.b3lyp_6-31g(d).smash.inp (generated)

000637904.b3lyp_6-31g(d).nwchem.inp (generated) 000637904.b3lyp_6-31g(d).log.xz 000637904.td-b3lyp_6-31g+(d).inp 000637904.td-b3lyp_6-31g+(d).log.xz

000637904.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637904.td-b3lyp_6-31+g(d).gjf (generated)

000637904.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637904.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637904.mol 000637904.PUBCHEM 000637904.mol (via Jmol)
000637908.b3lyp_6-31g(d).inp

000637908.b3lyp_6-31g(d).qchem.inp (generated)

000637908.b3lyp_6-31g(d).gjf (generated)

000637908.b3lyp_6-31g(d).firefly.inp (generated)

000637908.b3lyp_6-31g(d).smash.inp (generated)

000637908.b3lyp_6-31g(d).nwchem.inp (generated) 000637908.b3lyp_6-31g(d).log.xz 000637908.td-b3lyp_6-31g+(d).inp 000637908.td-b3lyp_6-31g+(d).log.xz

000637908.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637908.td-b3lyp_6-31+g(d).gjf (generated)

000637908.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637908.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637908.mol 000637908.PUBCHEM 000637908.mol (via Jmol)
000637909.b3lyp_6-31g(d).inp

000637909.b3lyp_6-31g(d).qchem.inp (generated)

000637909.b3lyp_6-31g(d).gjf (generated)

000637909.b3lyp_6-31g(d).firefly.inp (generated)

000637909.b3lyp_6-31g(d).smash.inp (generated)

000637909.b3lyp_6-31g(d).nwchem.inp (generated) 000637909.b3lyp_6-31g(d).log.xz 000637909.td-b3lyp_6-31g+(d).inp 000637909.td-b3lyp_6-31g+(d).log.xz

000637909.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637909.td-b3lyp_6-31+g(d).gjf (generated)

000637909.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637909.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637909.mol 000637909.PUBCHEM 000637909.mol (via Jmol)
000637910.b3lyp_6-31g(d).inp

000637910.b3lyp_6-31g(d).qchem.inp (generated)

000637910.b3lyp_6-31g(d).gjf (generated)

000637910.b3lyp_6-31g(d).firefly.inp (generated)

000637910.b3lyp_6-31g(d).smash.inp (generated)

000637910.b3lyp_6-31g(d).nwchem.inp (generated) 000637910.b3lyp_6-31g(d).log.xz 000637910.td-b3lyp_6-31g+(d).inp 000637910.td-b3lyp_6-31g+(d).log.xz

000637910.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637910.td-b3lyp_6-31+g(d).gjf (generated)

000637910.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637910.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637910.mol 000637910.PUBCHEM 000637910.mol (via Jmol)
000637911.b3lyp_6-31g(d).inp

000637911.b3lyp_6-31g(d).qchem.inp (generated)

000637911.b3lyp_6-31g(d).gjf (generated)

000637911.b3lyp_6-31g(d).firefly.inp (generated)

000637911.b3lyp_6-31g(d).smash.inp (generated)

000637911.b3lyp_6-31g(d).nwchem.inp (generated) 000637911.b3lyp_6-31g(d).log.xz 000637911.td-b3lyp_6-31g+(d).inp 000637911.td-b3lyp_6-31g+(d).log.xz

000637911.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637911.td-b3lyp_6-31+g(d).gjf (generated)

000637911.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637911.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637911.mol 000637911.PUBCHEM 000637911.mol (via Jmol)
000637912.b3lyp_6-31g(d).inp

000637912.b3lyp_6-31g(d).qchem.inp (generated)

000637912.b3lyp_6-31g(d).gjf (generated)

000637912.b3lyp_6-31g(d).firefly.inp (generated)

000637912.b3lyp_6-31g(d).smash.inp (generated)

000637912.b3lyp_6-31g(d).nwchem.inp (generated) 000637912.b3lyp_6-31g(d).log.xz 000637912.td-b3lyp_6-31g+(d).inp 000637912.td-b3lyp_6-31g+(d).log.xz

000637912.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637912.td-b3lyp_6-31+g(d).gjf (generated)

000637912.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637912.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637912.mol 000637912.PUBCHEM 000637912.mol (via Jmol)
000637914.b3lyp_6-31g(d).inp

000637914.b3lyp_6-31g(d).qchem.inp (generated)

000637914.b3lyp_6-31g(d).gjf (generated)

000637914.b3lyp_6-31g(d).firefly.inp (generated)

000637914.b3lyp_6-31g(d).smash.inp (generated)

000637914.b3lyp_6-31g(d).nwchem.inp (generated) 000637914.b3lyp_6-31g(d).log.xz 000637914.td-b3lyp_6-31g+(d).inp 000637914.td-b3lyp_6-31g+(d).log.xz

000637914.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637914.td-b3lyp_6-31+g(d).gjf (generated)

000637914.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637914.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637914.mol 000637914.PUBCHEM 000637914.mol (via Jmol)
000637915.b3lyp_6-31g(d).inp

000637915.b3lyp_6-31g(d).qchem.inp (generated)

000637915.b3lyp_6-31g(d).gjf (generated)

000637915.b3lyp_6-31g(d).firefly.inp (generated)

000637915.b3lyp_6-31g(d).smash.inp (generated)

000637915.b3lyp_6-31g(d).nwchem.inp (generated) 000637915.b3lyp_6-31g(d).log.xz 000637915.td-b3lyp_6-31g+(d).inp 000637915.td-b3lyp_6-31g+(d).log.xz

000637915.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637915.td-b3lyp_6-31+g(d).gjf (generated)

000637915.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637915.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637915.mol 000637915.PUBCHEM 000637915.mol (via Jmol)
000637916.b3lyp_6-31g(d).inp

000637916.b3lyp_6-31g(d).qchem.inp (generated)

000637916.b3lyp_6-31g(d).gjf (generated)

000637916.b3lyp_6-31g(d).firefly.inp (generated)

000637916.b3lyp_6-31g(d).smash.inp (generated)

000637916.b3lyp_6-31g(d).nwchem.inp (generated) 000637916.b3lyp_6-31g(d).log.xz 000637916.td-b3lyp_6-31g+(d).inp 000637916.td-b3lyp_6-31g+(d).log.xz

000637916.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637916.td-b3lyp_6-31+g(d).gjf (generated)

000637916.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637916.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637916.mol 000637916.PUBCHEM 000637916.mol (via Jmol)
000637917.b3lyp_6-31g(d).inp

000637917.b3lyp_6-31g(d).qchem.inp (generated)

000637917.b3lyp_6-31g(d).gjf (generated)

000637917.b3lyp_6-31g(d).firefly.inp (generated)

000637917.b3lyp_6-31g(d).smash.inp (generated)

000637917.b3lyp_6-31g(d).nwchem.inp (generated) 000637917.b3lyp_6-31g(d).log.xz 000637917.td-b3lyp_6-31g+(d).inp 000637917.td-b3lyp_6-31g+(d).log.xz

000637917.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637917.td-b3lyp_6-31+g(d).gjf (generated)

000637917.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637917.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637917.mol 000637917.PUBCHEM 000637917.mol (via Jmol)
000637918.b3lyp_6-31g(d).inp

000637918.b3lyp_6-31g(d).qchem.inp (generated)

000637918.b3lyp_6-31g(d).gjf (generated)

000637918.b3lyp_6-31g(d).firefly.inp (generated)

000637918.b3lyp_6-31g(d).smash.inp (generated)

000637918.b3lyp_6-31g(d).nwchem.inp (generated) 000637918.b3lyp_6-31g(d).log.xz 000637918.td-b3lyp_6-31g+(d).inp 000637918.td-b3lyp_6-31g+(d).log.xz

000637918.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637918.td-b3lyp_6-31+g(d).gjf (generated)

000637918.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637918.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637918.mol 000637918.PUBCHEM 000637918.mol (via Jmol)
000637919.b3lyp_6-31g(d).inp

000637919.b3lyp_6-31g(d).qchem.inp (generated)

000637919.b3lyp_6-31g(d).gjf (generated)

000637919.b3lyp_6-31g(d).firefly.inp (generated)

000637919.b3lyp_6-31g(d).smash.inp (generated)

000637919.b3lyp_6-31g(d).nwchem.inp (generated) 000637919.b3lyp_6-31g(d).log.xz 000637919.td-b3lyp_6-31g+(d).inp 000637919.td-b3lyp_6-31g+(d).log.xz

000637919.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637919.td-b3lyp_6-31+g(d).gjf (generated)

000637919.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637919.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637919.mol 000637919.PUBCHEM 000637919.mol (via Jmol)
000637920.b3lyp_6-31g(d).inp

000637920.b3lyp_6-31g(d).qchem.inp (generated)

000637920.b3lyp_6-31g(d).gjf (generated)

000637920.b3lyp_6-31g(d).firefly.inp (generated)

000637920.b3lyp_6-31g(d).smash.inp (generated)

000637920.b3lyp_6-31g(d).nwchem.inp (generated) 000637920.b3lyp_6-31g(d).log.xz 000637920.td-b3lyp_6-31g+(d).inp 000637920.td-b3lyp_6-31g+(d).log.xz

000637920.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637920.td-b3lyp_6-31+g(d).gjf (generated)

000637920.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637920.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637920.mol 000637920.PUBCHEM 000637920.mol (via Jmol)
000637921.b3lyp_6-31g(d).inp

000637921.b3lyp_6-31g(d).qchem.inp (generated)

000637921.b3lyp_6-31g(d).gjf (generated)

000637921.b3lyp_6-31g(d).firefly.inp (generated)

000637921.b3lyp_6-31g(d).smash.inp (generated)

000637921.b3lyp_6-31g(d).nwchem.inp (generated) 000637921.b3lyp_6-31g(d).log.xz 000637921.td-b3lyp_6-31g+(d).inp 000637921.td-b3lyp_6-31g+(d).log.xz

000637921.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637921.td-b3lyp_6-31+g(d).gjf (generated)

000637921.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637921.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637921.mol 000637921.PUBCHEM 000637921.mol (via Jmol)
000637922.b3lyp_6-31g(d).inp

000637922.b3lyp_6-31g(d).qchem.inp (generated)

000637922.b3lyp_6-31g(d).gjf (generated)

000637922.b3lyp_6-31g(d).firefly.inp (generated)

000637922.b3lyp_6-31g(d).smash.inp (generated)

000637922.b3lyp_6-31g(d).nwchem.inp (generated) 000637922.b3lyp_6-31g(d).log.xz 000637922.td-b3lyp_6-31g+(d).inp 000637922.td-b3lyp_6-31g+(d).log.xz

000637922.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637922.td-b3lyp_6-31+g(d).gjf (generated)

000637922.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637922.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637922.mol 000637922.PUBCHEM 000637922.mol (via Jmol)
000637923.b3lyp_6-31g(d).inp

000637923.b3lyp_6-31g(d).qchem.inp (generated)

000637923.b3lyp_6-31g(d).gjf (generated)

000637923.b3lyp_6-31g(d).firefly.inp (generated)

000637923.b3lyp_6-31g(d).smash.inp (generated)

000637923.b3lyp_6-31g(d).nwchem.inp (generated) 000637923.b3lyp_6-31g(d).log.xz 000637923.td-b3lyp_6-31g+(d).inp 000637923.td-b3lyp_6-31g+(d).log.xz

000637923.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637923.td-b3lyp_6-31+g(d).gjf (generated)

000637923.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637923.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637923.mol 000637923.PUBCHEM 000637923.mol (via Jmol)
000637924.b3lyp_6-31g(d).inp

000637924.b3lyp_6-31g(d).qchem.inp (generated)

000637924.b3lyp_6-31g(d).gjf (generated)

000637924.b3lyp_6-31g(d).firefly.inp (generated)

000637924.b3lyp_6-31g(d).smash.inp (generated)

000637924.b3lyp_6-31g(d).nwchem.inp (generated) 000637924.b3lyp_6-31g(d).log.xz 000637924.td-b3lyp_6-31g+(d).inp 000637924.td-b3lyp_6-31g+(d).log.xz

000637924.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637924.td-b3lyp_6-31+g(d).gjf (generated)

000637924.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637924.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637924.mol 000637924.PUBCHEM 000637924.mol (via Jmol)
000637926.b3lyp_6-31g(d).inp

000637926.b3lyp_6-31g(d).qchem.inp (generated)

000637926.b3lyp_6-31g(d).gjf (generated)

000637926.b3lyp_6-31g(d).firefly.inp (generated)

000637926.b3lyp_6-31g(d).smash.inp (generated)

000637926.b3lyp_6-31g(d).nwchem.inp (generated) 000637926.b3lyp_6-31g(d).log.xz 000637926.td-b3lyp_6-31g+(d).inp 000637926.td-b3lyp_6-31g+(d).log.xz

000637926.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637926.td-b3lyp_6-31+g(d).gjf (generated)

000637926.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637926.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637926.mol 000637926.PUBCHEM 000637926.mol (via Jmol)
000637927.b3lyp_6-31g(d).inp

000637927.b3lyp_6-31g(d).qchem.inp (generated)

000637927.b3lyp_6-31g(d).gjf (generated)

000637927.b3lyp_6-31g(d).firefly.inp (generated)

000637927.b3lyp_6-31g(d).smash.inp (generated)

000637927.b3lyp_6-31g(d).nwchem.inp (generated) 000637927.b3lyp_6-31g(d).log.xz 000637927.td-b3lyp_6-31g+(d).inp 000637927.td-b3lyp_6-31g+(d).log.xz

000637927.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637927.td-b3lyp_6-31+g(d).gjf (generated)

000637927.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637927.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637927.mol 000637927.PUBCHEM 000637927.mol (via Jmol)
000637928.b3lyp_6-31g(d).inp

000637928.b3lyp_6-31g(d).qchem.inp (generated)

000637928.b3lyp_6-31g(d).gjf (generated)

000637928.b3lyp_6-31g(d).firefly.inp (generated)

000637928.b3lyp_6-31g(d).smash.inp (generated)

000637928.b3lyp_6-31g(d).nwchem.inp (generated) 000637928.b3lyp_6-31g(d).log.xz 000637928.td-b3lyp_6-31g+(d).inp 000637928.td-b3lyp_6-31g+(d).log.xz

000637928.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637928.td-b3lyp_6-31+g(d).gjf (generated)

000637928.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637928.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637928.mol 000637928.PUBCHEM 000637928.mol (via Jmol)
000637929.b3lyp_6-31g(d).inp

000637929.b3lyp_6-31g(d).qchem.inp (generated)

000637929.b3lyp_6-31g(d).gjf (generated)

000637929.b3lyp_6-31g(d).firefly.inp (generated)

000637929.b3lyp_6-31g(d).smash.inp (generated)

000637929.b3lyp_6-31g(d).nwchem.inp (generated) 000637929.b3lyp_6-31g(d).log.xz 000637929.td-b3lyp_6-31g+(d).inp 000637929.td-b3lyp_6-31g+(d).log.xz

000637929.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637929.td-b3lyp_6-31+g(d).gjf (generated)

000637929.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637929.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637929.mol 000637929.PUBCHEM 000637929.mol (via Jmol)
000637930.b3lyp_6-31g(d).inp

000637930.b3lyp_6-31g(d).qchem.inp (generated)

000637930.b3lyp_6-31g(d).gjf (generated)

000637930.b3lyp_6-31g(d).firefly.inp (generated)

000637930.b3lyp_6-31g(d).smash.inp (generated)

000637930.b3lyp_6-31g(d).nwchem.inp (generated) 000637930.b3lyp_6-31g(d).log.xz 000637930.td-b3lyp_6-31g+(d).inp 000637930.td-b3lyp_6-31g+(d).log.xz

000637930.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637930.td-b3lyp_6-31+g(d).gjf (generated)

000637930.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637930.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637930.mol 000637930.PUBCHEM 000637930.mol (via Jmol)
000637934.b3lyp_6-31g(d).inp

000637934.b3lyp_6-31g(d).qchem.inp (generated)

000637934.b3lyp_6-31g(d).gjf (generated)

000637934.b3lyp_6-31g(d).firefly.inp (generated)

000637934.b3lyp_6-31g(d).smash.inp (generated)

000637934.b3lyp_6-31g(d).nwchem.inp (generated) 000637934.b3lyp_6-31g(d).log.xz 000637934.td-b3lyp_6-31g+(d).inp 000637934.td-b3lyp_6-31g+(d).log.xz

000637934.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637934.td-b3lyp_6-31+g(d).gjf (generated)

000637934.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637934.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637934.mol 000637934.PUBCHEM 000637934.mol (via Jmol)
000637936.b3lyp_6-31g(d).inp

000637936.b3lyp_6-31g(d).qchem.inp (generated)

000637936.b3lyp_6-31g(d).gjf (generated)

000637936.b3lyp_6-31g(d).firefly.inp (generated)

000637936.b3lyp_6-31g(d).smash.inp (generated)

000637936.b3lyp_6-31g(d).nwchem.inp (generated) 000637936.b3lyp_6-31g(d).log.xz 000637936.td-b3lyp_6-31g+(d).inp 000637936.td-b3lyp_6-31g+(d).log.xz

000637936.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637936.td-b3lyp_6-31+g(d).gjf (generated)

000637936.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637936.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637936.mol 000637936.PUBCHEM 000637936.mol (via Jmol)
000637939.b3lyp_6-31g(d).inp

000637939.b3lyp_6-31g(d).qchem.inp (generated)

000637939.b3lyp_6-31g(d).gjf (generated)

000637939.b3lyp_6-31g(d).firefly.inp (generated)

000637939.b3lyp_6-31g(d).smash.inp (generated)

000637939.b3lyp_6-31g(d).nwchem.inp (generated) 000637939.b3lyp_6-31g(d).log.xz 000637939.td-b3lyp_6-31g+(d).inp 000637939.td-b3lyp_6-31g+(d).log.xz

000637939.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637939.td-b3lyp_6-31+g(d).gjf (generated)

000637939.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637939.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637939.mol 000637939.PUBCHEM 000637939.mol (via Jmol)
000637941.b3lyp_6-31g(d).inp

000637941.b3lyp_6-31g(d).qchem.inp (generated)

000637941.b3lyp_6-31g(d).gjf (generated)

000637941.b3lyp_6-31g(d).firefly.inp (generated)

000637941.b3lyp_6-31g(d).smash.inp (generated)

000637941.b3lyp_6-31g(d).nwchem.inp (generated) 000637941.b3lyp_6-31g(d).log.xz 000637941.td-b3lyp_6-31g+(d).inp 000637941.td-b3lyp_6-31g+(d).log.xz

000637941.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637941.td-b3lyp_6-31+g(d).gjf (generated)

000637941.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637941.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637941.mol 000637941.PUBCHEM 000637941.mol (via Jmol)
000637942.b3lyp_6-31g(d).inp

000637942.b3lyp_6-31g(d).qchem.inp (generated)

000637942.b3lyp_6-31g(d).gjf (generated)

000637942.b3lyp_6-31g(d).firefly.inp (generated)

000637942.b3lyp_6-31g(d).smash.inp (generated)

000637942.b3lyp_6-31g(d).nwchem.inp (generated) 000637942.b3lyp_6-31g(d).log.xz 000637942.td-b3lyp_6-31g+(d).inp 000637942.td-b3lyp_6-31g+(d).log.xz

000637942.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637942.td-b3lyp_6-31+g(d).gjf (generated)

000637942.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637942.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637942.mol 000637942.PUBCHEM 000637942.mol (via Jmol)
000637943.b3lyp_6-31g(d).inp

000637943.b3lyp_6-31g(d).qchem.inp (generated)

000637943.b3lyp_6-31g(d).gjf (generated)

000637943.b3lyp_6-31g(d).firefly.inp (generated)

000637943.b3lyp_6-31g(d).smash.inp (generated)

000637943.b3lyp_6-31g(d).nwchem.inp (generated) 000637943.b3lyp_6-31g(d).log.xz 000637943.td-b3lyp_6-31g+(d).inp 000637943.td-b3lyp_6-31g+(d).log.xz

000637943.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637943.td-b3lyp_6-31+g(d).gjf (generated)

000637943.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637943.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637943.mol 000637943.PUBCHEM 000637943.mol (via Jmol)
000637944.b3lyp_6-31g(d).inp

000637944.b3lyp_6-31g(d).qchem.inp (generated)

000637944.b3lyp_6-31g(d).gjf (generated)

000637944.b3lyp_6-31g(d).firefly.inp (generated)

000637944.b3lyp_6-31g(d).smash.inp (generated)

000637944.b3lyp_6-31g(d).nwchem.inp (generated) 000637944.b3lyp_6-31g(d).log.xz 000637944.td-b3lyp_6-31g+(d).inp 000637944.td-b3lyp_6-31g+(d).log.xz

000637944.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637944.td-b3lyp_6-31+g(d).gjf (generated)

000637944.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637944.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637944.mol 000637944.PUBCHEM 000637944.mol (via Jmol)
000637945.b3lyp_6-31g(d).inp

000637945.b3lyp_6-31g(d).qchem.inp (generated)

000637945.b3lyp_6-31g(d).gjf (generated)

000637945.b3lyp_6-31g(d).firefly.inp (generated)

000637945.b3lyp_6-31g(d).smash.inp (generated)

000637945.b3lyp_6-31g(d).nwchem.inp (generated) 000637945.b3lyp_6-31g(d).log.xz 000637945.td-b3lyp_6-31g+(d).inp 000637945.td-b3lyp_6-31g+(d).log.xz

000637945.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637945.td-b3lyp_6-31+g(d).gjf (generated)

000637945.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637945.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637945.mol 000637945.PUBCHEM 000637945.mol (via Jmol)
000637946.b3lyp_6-31g(d).inp

000637946.b3lyp_6-31g(d).qchem.inp (generated)

000637946.b3lyp_6-31g(d).gjf (generated)

000637946.b3lyp_6-31g(d).firefly.inp (generated)

000637946.b3lyp_6-31g(d).smash.inp (generated)

000637946.b3lyp_6-31g(d).nwchem.inp (generated) 000637946.b3lyp_6-31g(d).log.xz 000637946.td-b3lyp_6-31g+(d).inp 000637946.td-b3lyp_6-31g+(d).log.xz

000637946.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637946.td-b3lyp_6-31+g(d).gjf (generated)

000637946.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637946.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637946.mol 000637946.PUBCHEM 000637946.mol (via Jmol)
000637947.b3lyp_6-31g(d).inp

000637947.b3lyp_6-31g(d).qchem.inp (generated)

000637947.b3lyp_6-31g(d).gjf (generated)

000637947.b3lyp_6-31g(d).firefly.inp (generated)

000637947.b3lyp_6-31g(d).smash.inp (generated)

000637947.b3lyp_6-31g(d).nwchem.inp (generated) 000637947.b3lyp_6-31g(d).log.xz 000637947.td-b3lyp_6-31g+(d).inp 000637947.td-b3lyp_6-31g+(d).log.xz

000637947.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637947.td-b3lyp_6-31+g(d).gjf (generated)

000637947.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637947.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637947.mol 000637947.PUBCHEM 000637947.mol (via Jmol)
000637949.b3lyp_6-31g(d).inp

000637949.b3lyp_6-31g(d).qchem.inp (generated)

000637949.b3lyp_6-31g(d).gjf (generated)

000637949.b3lyp_6-31g(d).firefly.inp (generated)

000637949.b3lyp_6-31g(d).smash.inp (generated)

000637949.b3lyp_6-31g(d).nwchem.inp (generated) 000637949.b3lyp_6-31g(d).log.xz 000637949.td-b3lyp_6-31g+(d).inp 000637949.td-b3lyp_6-31g+(d).log.xz

000637949.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637949.td-b3lyp_6-31+g(d).gjf (generated)

000637949.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637949.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637949.mol 000637949.PUBCHEM 000637949.mol (via Jmol)
000637950.b3lyp_6-31g(d).inp

000637950.b3lyp_6-31g(d).qchem.inp (generated)

000637950.b3lyp_6-31g(d).gjf (generated)

000637950.b3lyp_6-31g(d).firefly.inp (generated)

000637950.b3lyp_6-31g(d).smash.inp (generated)

000637950.b3lyp_6-31g(d).nwchem.inp (generated) 000637950.b3lyp_6-31g(d).log.xz 000637950.td-b3lyp_6-31g+(d).inp 000637950.td-b3lyp_6-31g+(d).log.xz

000637950.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637950.td-b3lyp_6-31+g(d).gjf (generated)

000637950.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637950.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637950.mol 000637950.PUBCHEM 000637950.mol (via Jmol)
000637951.b3lyp_6-31g(d).inp

000637951.b3lyp_6-31g(d).qchem.inp (generated)

000637951.b3lyp_6-31g(d).gjf (generated)

000637951.b3lyp_6-31g(d).firefly.inp (generated)

000637951.b3lyp_6-31g(d).smash.inp (generated)

000637951.b3lyp_6-31g(d).nwchem.inp (generated) 000637951.b3lyp_6-31g(d).log.xz 000637951.td-b3lyp_6-31g+(d).inp 000637951.td-b3lyp_6-31g+(d).log.xz

000637951.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637951.td-b3lyp_6-31+g(d).gjf (generated)

000637951.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637951.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637951.mol 000637951.PUBCHEM 000637951.mol (via Jmol)
000637952.b3lyp_6-31g(d).inp

000637952.b3lyp_6-31g(d).qchem.inp (generated)

000637952.b3lyp_6-31g(d).gjf (generated)

000637952.b3lyp_6-31g(d).firefly.inp (generated)

000637952.b3lyp_6-31g(d).smash.inp (generated)

000637952.b3lyp_6-31g(d).nwchem.inp (generated) 000637952.b3lyp_6-31g(d).log.xz 000637952.td-b3lyp_6-31g+(d).inp 000637952.td-b3lyp_6-31g+(d).log.xz

000637952.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637952.td-b3lyp_6-31+g(d).gjf (generated)

000637952.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637952.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637952.mol 000637952.PUBCHEM 000637952.mol (via Jmol)
000637953.b3lyp_6-31g(d).inp

000637953.b3lyp_6-31g(d).qchem.inp (generated)

000637953.b3lyp_6-31g(d).gjf (generated)

000637953.b3lyp_6-31g(d).firefly.inp (generated)

000637953.b3lyp_6-31g(d).smash.inp (generated)

000637953.b3lyp_6-31g(d).nwchem.inp (generated) 000637953.b3lyp_6-31g(d).log.xz 000637953.td-b3lyp_6-31g+(d).inp 000637953.td-b3lyp_6-31g+(d).log.xz

000637953.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637953.td-b3lyp_6-31+g(d).gjf (generated)

000637953.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637953.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637953.mol 000637953.PUBCHEM 000637953.mol (via Jmol)
000637955.b3lyp_6-31g(d).inp

000637955.b3lyp_6-31g(d).qchem.inp (generated)

000637955.b3lyp_6-31g(d).gjf (generated)

000637955.b3lyp_6-31g(d).firefly.inp (generated)

000637955.b3lyp_6-31g(d).smash.inp (generated)

000637955.b3lyp_6-31g(d).nwchem.inp (generated) 000637955.b3lyp_6-31g(d).log.xz 000637955.td-b3lyp_6-31g+(d).inp 000637955.td-b3lyp_6-31g+(d).log.xz

000637955.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637955.td-b3lyp_6-31+g(d).gjf (generated)

000637955.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637955.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637955.mol 000637955.PUBCHEM 000637955.mol (via Jmol)
000637956.b3lyp_6-31g(d).inp

000637956.b3lyp_6-31g(d).qchem.inp (generated)

000637956.b3lyp_6-31g(d).gjf (generated)

000637956.b3lyp_6-31g(d).firefly.inp (generated)

000637956.b3lyp_6-31g(d).smash.inp (generated)

000637956.b3lyp_6-31g(d).nwchem.inp (generated) 000637956.b3lyp_6-31g(d).log.xz 000637956.td-b3lyp_6-31g+(d).inp 000637956.td-b3lyp_6-31g+(d).log.xz

000637956.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637956.td-b3lyp_6-31+g(d).gjf (generated)

000637956.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637956.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637956.mol 000637956.PUBCHEM 000637956.mol (via Jmol)
000637961.b3lyp_6-31g(d).inp

000637961.b3lyp_6-31g(d).qchem.inp (generated)

000637961.b3lyp_6-31g(d).gjf (generated)

000637961.b3lyp_6-31g(d).firefly.inp (generated)

000637961.b3lyp_6-31g(d).smash.inp (generated)

000637961.b3lyp_6-31g(d).nwchem.inp (generated) 000637961.b3lyp_6-31g(d).log.xz 000637961.td-b3lyp_6-31g+(d).inp 000637961.td-b3lyp_6-31g+(d).log.xz

000637961.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637961.td-b3lyp_6-31+g(d).gjf (generated)

000637961.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637961.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637961.mol 000637961.PUBCHEM 000637961.mol (via Jmol)
000637962.b3lyp_6-31g(d).inp

000637962.b3lyp_6-31g(d).qchem.inp (generated)

000637962.b3lyp_6-31g(d).gjf (generated)

000637962.b3lyp_6-31g(d).firefly.inp (generated)

000637962.b3lyp_6-31g(d).smash.inp (generated)

000637962.b3lyp_6-31g(d).nwchem.inp (generated) 000637962.b3lyp_6-31g(d).log.xz 000637962.td-b3lyp_6-31g+(d).inp 000637962.td-b3lyp_6-31g+(d).log.xz

000637962.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637962.td-b3lyp_6-31+g(d).gjf (generated)

000637962.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637962.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637962.mol 000637962.PUBCHEM 000637962.mol (via Jmol)
000637963.b3lyp_6-31g(d).inp

000637963.b3lyp_6-31g(d).qchem.inp (generated)

000637963.b3lyp_6-31g(d).gjf (generated)

000637963.b3lyp_6-31g(d).firefly.inp (generated)

000637963.b3lyp_6-31g(d).smash.inp (generated)

000637963.b3lyp_6-31g(d).nwchem.inp (generated) 000637963.b3lyp_6-31g(d).log.xz 000637963.td-b3lyp_6-31g+(d).inp 000637963.td-b3lyp_6-31g+(d).log.xz

000637963.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637963.td-b3lyp_6-31+g(d).gjf (generated)

000637963.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637963.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637963.mol 000637963.PUBCHEM 000637963.mol (via Jmol)
000637964.b3lyp_6-31g(d).inp

000637964.b3lyp_6-31g(d).qchem.inp (generated)

000637964.b3lyp_6-31g(d).gjf (generated)

000637964.b3lyp_6-31g(d).firefly.inp (generated)

000637964.b3lyp_6-31g(d).smash.inp (generated)

000637964.b3lyp_6-31g(d).nwchem.inp (generated) 000637964.b3lyp_6-31g(d).log.xz 000637964.td-b3lyp_6-31g+(d).inp 000637964.td-b3lyp_6-31g+(d).log.xz

000637964.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637964.td-b3lyp_6-31+g(d).gjf (generated)

000637964.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637964.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637964.mol 000637964.PUBCHEM 000637964.mol (via Jmol)
000637965.b3lyp_6-31g(d).inp

000637965.b3lyp_6-31g(d).qchem.inp (generated)

000637965.b3lyp_6-31g(d).gjf (generated)

000637965.b3lyp_6-31g(d).firefly.inp (generated)

000637965.b3lyp_6-31g(d).smash.inp (generated)

000637965.b3lyp_6-31g(d).nwchem.inp (generated) 000637965.b3lyp_6-31g(d).log.xz 000637965.td-b3lyp_6-31g+(d).inp 000637965.td-b3lyp_6-31g+(d).log.xz

000637965.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637965.td-b3lyp_6-31+g(d).gjf (generated)

000637965.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637965.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637965.mol 000637965.PUBCHEM 000637965.mol (via Jmol)
000637966.b3lyp_6-31g(d).inp

000637966.b3lyp_6-31g(d).qchem.inp (generated)

000637966.b3lyp_6-31g(d).gjf (generated)

000637966.b3lyp_6-31g(d).firefly.inp (generated)

000637966.b3lyp_6-31g(d).smash.inp (generated)

000637966.b3lyp_6-31g(d).nwchem.inp (generated) 000637966.b3lyp_6-31g(d).log.xz 000637966.td-b3lyp_6-31g+(d).inp 000637966.td-b3lyp_6-31g+(d).log.xz

000637966.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637966.td-b3lyp_6-31+g(d).gjf (generated)

000637966.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637966.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637966.mol 000637966.PUBCHEM 000637966.mol (via Jmol)
000637967.b3lyp_6-31g(d).inp

000637967.b3lyp_6-31g(d).qchem.inp (generated)

000637967.b3lyp_6-31g(d).gjf (generated)

000637967.b3lyp_6-31g(d).firefly.inp (generated)

000637967.b3lyp_6-31g(d).smash.inp (generated)

000637967.b3lyp_6-31g(d).nwchem.inp (generated) 000637967.b3lyp_6-31g(d).log.xz 000637967.td-b3lyp_6-31g+(d).inp 000637967.td-b3lyp_6-31g+(d).log.xz

000637967.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637967.td-b3lyp_6-31+g(d).gjf (generated)

000637967.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637967.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637967.mol 000637967.PUBCHEM 000637967.mol (via Jmol)
000637968.b3lyp_6-31g(d).inp

000637968.b3lyp_6-31g(d).qchem.inp (generated)

000637968.b3lyp_6-31g(d).gjf (generated)

000637968.b3lyp_6-31g(d).firefly.inp (generated)

000637968.b3lyp_6-31g(d).smash.inp (generated)

000637968.b3lyp_6-31g(d).nwchem.inp (generated) 000637968.b3lyp_6-31g(d).log.xz 000637968.td-b3lyp_6-31g+(d).inp 000637968.td-b3lyp_6-31g+(d).log.xz

000637968.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637968.td-b3lyp_6-31+g(d).gjf (generated)

000637968.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637968.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637968.mol 000637968.PUBCHEM 000637968.mol (via Jmol)
000637969.b3lyp_6-31g(d).inp

000637969.b3lyp_6-31g(d).qchem.inp (generated)

000637969.b3lyp_6-31g(d).gjf (generated)

000637969.b3lyp_6-31g(d).firefly.inp (generated)

000637969.b3lyp_6-31g(d).smash.inp (generated)

000637969.b3lyp_6-31g(d).nwchem.inp (generated) 000637969.b3lyp_6-31g(d).log.xz 000637969.td-b3lyp_6-31g+(d).inp 000637969.td-b3lyp_6-31g+(d).log.xz

000637969.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637969.td-b3lyp_6-31+g(d).gjf (generated)

000637969.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637969.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637969.mol 000637969.PUBCHEM 000637969.mol (via Jmol)
000637970.b3lyp_6-31g(d).inp

000637970.b3lyp_6-31g(d).qchem.inp (generated)

000637970.b3lyp_6-31g(d).gjf (generated)

000637970.b3lyp_6-31g(d).firefly.inp (generated)

000637970.b3lyp_6-31g(d).smash.inp (generated)

000637970.b3lyp_6-31g(d).nwchem.inp (generated) 000637970.b3lyp_6-31g(d).log.xz 000637970.td-b3lyp_6-31g+(d).inp 000637970.td-b3lyp_6-31g+(d).log.xz

000637970.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637970.td-b3lyp_6-31+g(d).gjf (generated)

000637970.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637970.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637970.mol 000637970.PUBCHEM 000637970.mol (via Jmol)
000637971.b3lyp_6-31g(d).inp

000637971.b3lyp_6-31g(d).qchem.inp (generated)

000637971.b3lyp_6-31g(d).gjf (generated)

000637971.b3lyp_6-31g(d).firefly.inp (generated)

000637971.b3lyp_6-31g(d).smash.inp (generated)

000637971.b3lyp_6-31g(d).nwchem.inp (generated) 000637971.b3lyp_6-31g(d).log.xz 000637971.td-b3lyp_6-31g+(d).inp 000637971.td-b3lyp_6-31g+(d).log.xz

000637971.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637971.td-b3lyp_6-31+g(d).gjf (generated)

000637971.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637971.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637971.mol 000637971.PUBCHEM 000637971.mol (via Jmol)
000637972.b3lyp_6-31g(d).inp

000637972.b3lyp_6-31g(d).qchem.inp (generated)

000637972.b3lyp_6-31g(d).gjf (generated)

000637972.b3lyp_6-31g(d).firefly.inp (generated)

000637972.b3lyp_6-31g(d).smash.inp (generated)

000637972.b3lyp_6-31g(d).nwchem.inp (generated) 000637972.b3lyp_6-31g(d).log.xz 000637972.td-b3lyp_6-31g+(d).inp 000637972.td-b3lyp_6-31g+(d).log.xz

000637972.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637972.td-b3lyp_6-31+g(d).gjf (generated)

000637972.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637972.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637972.mol 000637972.PUBCHEM 000637972.mol (via Jmol)
000637973.b3lyp_6-31g(d).inp

000637973.b3lyp_6-31g(d).qchem.inp (generated)

000637973.b3lyp_6-31g(d).gjf (generated)

000637973.b3lyp_6-31g(d).firefly.inp (generated)

000637973.b3lyp_6-31g(d).smash.inp (generated)

000637973.b3lyp_6-31g(d).nwchem.inp (generated) 000637973.b3lyp_6-31g(d).log.xz 000637973.td-b3lyp_6-31g+(d).inp 000637973.td-b3lyp_6-31g+(d).log.xz

000637973.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637973.td-b3lyp_6-31+g(d).gjf (generated)

000637973.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637973.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637973.mol 000637973.PUBCHEM 000637973.mol (via Jmol)
000637976.b3lyp_6-31g(d).inp

000637976.b3lyp_6-31g(d).qchem.inp (generated)

000637976.b3lyp_6-31g(d).gjf (generated)

000637976.b3lyp_6-31g(d).firefly.inp (generated)

000637976.b3lyp_6-31g(d).smash.inp (generated)

000637976.b3lyp_6-31g(d).nwchem.inp (generated) 000637976.b3lyp_6-31g(d).log.xz 000637976.td-b3lyp_6-31g+(d).inp 000637976.td-b3lyp_6-31g+(d).log.xz

000637976.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637976.td-b3lyp_6-31+g(d).gjf (generated)

000637976.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637976.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637976.mol 000637976.PUBCHEM 000637976.mol (via Jmol)
000637980.b3lyp_6-31g(d).inp

000637980.b3lyp_6-31g(d).qchem.inp (generated)

000637980.b3lyp_6-31g(d).gjf (generated)

000637980.b3lyp_6-31g(d).firefly.inp (generated)

000637980.b3lyp_6-31g(d).smash.inp (generated)

000637980.b3lyp_6-31g(d).nwchem.inp (generated) 000637980.b3lyp_6-31g(d).log.xz 000637980.td-b3lyp_6-31g+(d).inp 000637980.td-b3lyp_6-31g+(d).log.xz

000637980.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637980.td-b3lyp_6-31+g(d).gjf (generated)

000637980.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637980.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637980.mol 000637980.PUBCHEM 000637980.mol (via Jmol)
000637981.b3lyp_6-31g(d).inp

000637981.b3lyp_6-31g(d).qchem.inp (generated)

000637981.b3lyp_6-31g(d).gjf (generated)

000637981.b3lyp_6-31g(d).firefly.inp (generated)

000637981.b3lyp_6-31g(d).smash.inp (generated)

000637981.b3lyp_6-31g(d).nwchem.inp (generated) 000637981.b3lyp_6-31g(d).log.xz 000637981.td-b3lyp_6-31g+(d).inp 000637981.td-b3lyp_6-31g+(d).log.xz

000637981.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637981.td-b3lyp_6-31+g(d).gjf (generated)

000637981.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637981.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637981.mol 000637981.PUBCHEM 000637981.mol (via Jmol)
000637982.b3lyp_6-31g(d).inp

000637982.b3lyp_6-31g(d).qchem.inp (generated)

000637982.b3lyp_6-31g(d).gjf (generated)

000637982.b3lyp_6-31g(d).firefly.inp (generated)

000637982.b3lyp_6-31g(d).smash.inp (generated)

000637982.b3lyp_6-31g(d).nwchem.inp (generated) 000637982.b3lyp_6-31g(d).log.xz 000637982.td-b3lyp_6-31g+(d).inp 000637982.td-b3lyp_6-31g+(d).log.xz

000637982.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637982.td-b3lyp_6-31+g(d).gjf (generated)

000637982.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637982.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637982.mol 000637982.PUBCHEM 000637982.mol (via Jmol)
000637984.b3lyp_6-31g(d).inp

000637984.b3lyp_6-31g(d).qchem.inp (generated)

000637984.b3lyp_6-31g(d).gjf (generated)

000637984.b3lyp_6-31g(d).firefly.inp (generated)

000637984.b3lyp_6-31g(d).smash.inp (generated)

000637984.b3lyp_6-31g(d).nwchem.inp (generated) 000637984.b3lyp_6-31g(d).log.xz 000637984.td-b3lyp_6-31g+(d).inp 000637984.td-b3lyp_6-31g+(d).log.xz

000637984.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637984.td-b3lyp_6-31+g(d).gjf (generated)

000637984.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637984.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637984.mol 000637984.PUBCHEM 000637984.mol (via Jmol)
000637985.b3lyp_6-31g(d).inp

000637985.b3lyp_6-31g(d).qchem.inp (generated)

000637985.b3lyp_6-31g(d).gjf (generated)

000637985.b3lyp_6-31g(d).firefly.inp (generated)

000637985.b3lyp_6-31g(d).smash.inp (generated)

000637985.b3lyp_6-31g(d).nwchem.inp (generated) 000637985.b3lyp_6-31g(d).log.xz 000637985.td-b3lyp_6-31g+(d).inp 000637985.td-b3lyp_6-31g+(d).log.xz

000637985.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637985.td-b3lyp_6-31+g(d).gjf (generated)

000637985.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637985.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637985.mol 000637985.PUBCHEM 000637985.mol (via Jmol)
000637986.b3lyp_6-31g(d).inp

000637986.b3lyp_6-31g(d).qchem.inp (generated)

000637986.b3lyp_6-31g(d).gjf (generated)

000637986.b3lyp_6-31g(d).firefly.inp (generated)

000637986.b3lyp_6-31g(d).smash.inp (generated)

000637986.b3lyp_6-31g(d).nwchem.inp (generated) 000637986.b3lyp_6-31g(d).log.xz 000637986.td-b3lyp_6-31g+(d).inp 000637986.td-b3lyp_6-31g+(d).log.xz

000637986.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637986.td-b3lyp_6-31+g(d).gjf (generated)

000637986.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637986.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637986.mol 000637986.PUBCHEM 000637986.mol (via Jmol)
000637987.b3lyp_6-31g(d).inp

000637987.b3lyp_6-31g(d).qchem.inp (generated)

000637987.b3lyp_6-31g(d).gjf (generated)

000637987.b3lyp_6-31g(d).firefly.inp (generated)

000637987.b3lyp_6-31g(d).smash.inp (generated)

000637987.b3lyp_6-31g(d).nwchem.inp (generated) 000637987.b3lyp_6-31g(d).log.xz 000637987.td-b3lyp_6-31g+(d).inp 000637987.td-b3lyp_6-31g+(d).log.xz

000637987.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637987.td-b3lyp_6-31+g(d).gjf (generated)

000637987.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637987.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637987.mol 000637987.PUBCHEM 000637987.mol (via Jmol)
000637988.b3lyp_6-31g(d).inp

000637988.b3lyp_6-31g(d).qchem.inp (generated)

000637988.b3lyp_6-31g(d).gjf (generated)

000637988.b3lyp_6-31g(d).firefly.inp (generated)

000637988.b3lyp_6-31g(d).smash.inp (generated)

000637988.b3lyp_6-31g(d).nwchem.inp (generated) 000637988.b3lyp_6-31g(d).log.xz 000637988.td-b3lyp_6-31g+(d).inp 000637988.td-b3lyp_6-31g+(d).log.xz

000637988.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637988.td-b3lyp_6-31+g(d).gjf (generated)

000637988.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637988.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637988.mol 000637988.PUBCHEM 000637988.mol (via Jmol)
000637989.b3lyp_6-31g(d).inp

000637989.b3lyp_6-31g(d).qchem.inp (generated)

000637989.b3lyp_6-31g(d).gjf (generated)

000637989.b3lyp_6-31g(d).firefly.inp (generated)

000637989.b3lyp_6-31g(d).smash.inp (generated)

000637989.b3lyp_6-31g(d).nwchem.inp (generated) 000637989.b3lyp_6-31g(d).log.xz 000637989.td-b3lyp_6-31g+(d).inp 000637989.td-b3lyp_6-31g+(d).log.xz

000637989.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637989.td-b3lyp_6-31+g(d).gjf (generated)

000637989.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637989.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637989.mol 000637989.PUBCHEM 000637989.mol (via Jmol)
000637990.b3lyp_6-31g(d).inp

000637990.b3lyp_6-31g(d).qchem.inp (generated)

000637990.b3lyp_6-31g(d).gjf (generated)

000637990.b3lyp_6-31g(d).firefly.inp (generated)

000637990.b3lyp_6-31g(d).smash.inp (generated)

000637990.b3lyp_6-31g(d).nwchem.inp (generated) 000637990.b3lyp_6-31g(d).log.xz 000637990.td-b3lyp_6-31g+(d).inp 000637990.td-b3lyp_6-31g+(d).log.xz

000637990.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637990.td-b3lyp_6-31+g(d).gjf (generated)

000637990.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637990.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637990.mol 000637990.PUBCHEM 000637990.mol (via Jmol)
000637991.b3lyp_6-31g(d).inp

000637991.b3lyp_6-31g(d).qchem.inp (generated)

000637991.b3lyp_6-31g(d).gjf (generated)

000637991.b3lyp_6-31g(d).firefly.inp (generated)

000637991.b3lyp_6-31g(d).smash.inp (generated)

000637991.b3lyp_6-31g(d).nwchem.inp (generated) 000637991.b3lyp_6-31g(d).log.xz 000637991.td-b3lyp_6-31g+(d).inp 000637991.td-b3lyp_6-31g+(d).log.xz

000637991.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637991.td-b3lyp_6-31+g(d).gjf (generated)

000637991.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637991.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637991.mol 000637991.PUBCHEM 000637991.mol (via Jmol)
000637992.b3lyp_6-31g(d).inp

000637992.b3lyp_6-31g(d).qchem.inp (generated)

000637992.b3lyp_6-31g(d).gjf (generated)

000637992.b3lyp_6-31g(d).firefly.inp (generated)

000637992.b3lyp_6-31g(d).smash.inp (generated)

000637992.b3lyp_6-31g(d).nwchem.inp (generated) 000637992.b3lyp_6-31g(d).log.xz 000637992.td-b3lyp_6-31g+(d).inp 000637992.td-b3lyp_6-31g+(d).log.xz

000637992.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637992.td-b3lyp_6-31+g(d).gjf (generated)

000637992.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637992.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637992.mol 000637992.PUBCHEM 000637992.mol (via Jmol)
000637993.b3lyp_6-31g(d).inp

000637993.b3lyp_6-31g(d).qchem.inp (generated)

000637993.b3lyp_6-31g(d).gjf (generated)

000637993.b3lyp_6-31g(d).firefly.inp (generated)

000637993.b3lyp_6-31g(d).smash.inp (generated)

000637993.b3lyp_6-31g(d).nwchem.inp (generated) 000637993.b3lyp_6-31g(d).log.xz 000637993.td-b3lyp_6-31g+(d).inp 000637993.td-b3lyp_6-31g+(d).log.xz

000637993.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637993.td-b3lyp_6-31+g(d).gjf (generated)

000637993.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637993.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637993.mol 000637993.PUBCHEM 000637993.mol (via Jmol)
000637994.b3lyp_6-31g(d).inp

000637994.b3lyp_6-31g(d).qchem.inp (generated)

000637994.b3lyp_6-31g(d).gjf (generated)

000637994.b3lyp_6-31g(d).firefly.inp (generated)

000637994.b3lyp_6-31g(d).smash.inp (generated)

000637994.b3lyp_6-31g(d).nwchem.inp (generated) 000637994.b3lyp_6-31g(d).log.xz 000637994.td-b3lyp_6-31g+(d).inp 000637994.td-b3lyp_6-31g+(d).log.xz

000637994.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637994.td-b3lyp_6-31+g(d).gjf (generated)

000637994.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637994.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637994.mol 000637994.PUBCHEM 000637994.mol (via Jmol)
000637995.b3lyp_6-31g(d).inp

000637995.b3lyp_6-31g(d).qchem.inp (generated)

000637995.b3lyp_6-31g(d).gjf (generated)

000637995.b3lyp_6-31g(d).firefly.inp (generated)

000637995.b3lyp_6-31g(d).smash.inp (generated)

000637995.b3lyp_6-31g(d).nwchem.inp (generated) 000637995.b3lyp_6-31g(d).log.xz 000637995.td-b3lyp_6-31g+(d).inp 000637995.td-b3lyp_6-31g+(d).log.xz

000637995.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637995.td-b3lyp_6-31+g(d).gjf (generated)

000637995.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637995.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637995.mol 000637995.PUBCHEM 000637995.mol (via Jmol)
000637996.b3lyp_6-31g(d).inp

000637996.b3lyp_6-31g(d).qchem.inp (generated)

000637996.b3lyp_6-31g(d).gjf (generated)

000637996.b3lyp_6-31g(d).firefly.inp (generated)

000637996.b3lyp_6-31g(d).smash.inp (generated)

000637996.b3lyp_6-31g(d).nwchem.inp (generated) 000637996.b3lyp_6-31g(d).log.xz 000637996.td-b3lyp_6-31g+(d).inp 000637996.td-b3lyp_6-31g+(d).log.xz

000637996.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637996.td-b3lyp_6-31+g(d).gjf (generated)

000637996.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637996.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637996.mol 000637996.PUBCHEM 000637996.mol (via Jmol)
000637997.b3lyp_6-31g(d).inp

000637997.b3lyp_6-31g(d).qchem.inp (generated)

000637997.b3lyp_6-31g(d).gjf (generated)

000637997.b3lyp_6-31g(d).firefly.inp (generated)

000637997.b3lyp_6-31g(d).smash.inp (generated)

000637997.b3lyp_6-31g(d).nwchem.inp (generated) 000637997.b3lyp_6-31g(d).log.xz 000637997.td-b3lyp_6-31g+(d).inp 000637997.td-b3lyp_6-31g+(d).log.xz

000637997.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637997.td-b3lyp_6-31+g(d).gjf (generated)

000637997.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637997.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637997.mol 000637997.PUBCHEM 000637997.mol (via Jmol)
000637999.b3lyp_6-31g(d).inp

000637999.b3lyp_6-31g(d).qchem.inp (generated)

000637999.b3lyp_6-31g(d).gjf (generated)

000637999.b3lyp_6-31g(d).firefly.inp (generated)

000637999.b3lyp_6-31g(d).smash.inp (generated)

000637999.b3lyp_6-31g(d).nwchem.inp (generated) 000637999.b3lyp_6-31g(d).log.xz 000637999.td-b3lyp_6-31g+(d).inp 000637999.td-b3lyp_6-31g+(d).log.xz

000637999.td-b3lyp_6-31+g(d).qchem.inp (generated)

000637999.td-b3lyp_6-31+g(d).gjf (generated)

000637999.td-b3lyp_6-31+g(d).firefly.inp (generated)

000637999.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000637999.mol 000637999.PUBCHEM 000637999.mol (via Jmol)
000638001.b3lyp_6-31g(d).inp

000638001.b3lyp_6-31g(d).qchem.inp (generated)

000638001.b3lyp_6-31g(d).gjf (generated)

000638001.b3lyp_6-31g(d).firefly.inp (generated)

000638001.b3lyp_6-31g(d).smash.inp (generated)

000638001.b3lyp_6-31g(d).nwchem.inp (generated) 000638001.b3lyp_6-31g(d).log.xz 000638001.td-b3lyp_6-31g+(d).inp 000638001.td-b3lyp_6-31g+(d).log.xz

000638001.td-b3lyp_6-31+g(d).qchem.inp (generated)

000638001.td-b3lyp_6-31+g(d).gjf (generated)

000638001.td-b3lyp_6-31+g(d).firefly.inp (generated)

000638001.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000638001.mol 000638001.PUBCHEM 000638001.mol (via Jmol)
000638002.b3lyp_6-31g(d).inp

000638002.b3lyp_6-31g(d).qchem.inp (generated)

000638002.b3lyp_6-31g(d).gjf (generated)

000638002.b3lyp_6-31g(d).firefly.inp (generated)

000638002.b3lyp_6-31g(d).smash.inp (generated)

000638002.b3lyp_6-31g(d).nwchem.inp (generated) 000638002.b3lyp_6-31g(d).log.xz 000638002.td-b3lyp_6-31g+(d).inp 000638002.td-b3lyp_6-31g+(d).log.xz

000638002.td-b3lyp_6-31+g(d).qchem.inp (generated)

000638002.td-b3lyp_6-31+g(d).gjf (generated)

000638002.td-b3lyp_6-31+g(d).firefly.inp (generated)

000638002.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000638002.mol 000638002.PUBCHEM 000638002.mol (via Jmol)
000638003.b3lyp_6-31g(d).inp

000638003.b3lyp_6-31g(d).qchem.inp (generated)

000638003.b3lyp_6-31g(d).gjf (generated)

000638003.b3lyp_6-31g(d).firefly.inp (generated)

000638003.b3lyp_6-31g(d).smash.inp (generated)

000638003.b3lyp_6-31g(d).nwchem.inp (generated) 000638003.b3lyp_6-31g(d).log.xz 000638003.td-b3lyp_6-31g+(d).inp 000638003.td-b3lyp_6-31g+(d).log.xz

000638003.td-b3lyp_6-31+g(d).qchem.inp (generated)

000638003.td-b3lyp_6-31+g(d).gjf (generated)

000638003.td-b3lyp_6-31+g(d).firefly.inp (generated)

000638003.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000638003.mol 000638003.PUBCHEM 000638003.mol (via Jmol)
000638004.b3lyp_6-31g(d).inp

000638004.b3lyp_6-31g(d).qchem.inp (generated)

000638004.b3lyp_6-31g(d).gjf (generated)

000638004.b3lyp_6-31g(d).firefly.inp (generated)

000638004.b3lyp_6-31g(d).smash.inp (generated)

000638004.b3lyp_6-31g(d).nwchem.inp (generated) 000638004.b3lyp_6-31g(d).log.xz 000638004.td-b3lyp_6-31g+(d).inp 000638004.td-b3lyp_6-31g+(d).log.xz

000638004.td-b3lyp_6-31+g(d).qchem.inp (generated)

000638004.td-b3lyp_6-31+g(d).gjf (generated)

000638004.td-b3lyp_6-31+g(d).firefly.inp (generated)

000638004.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000638004.mol 000638004.PUBCHEM 000638004.mol (via Jmol)
000638005.b3lyp_6-31g(d).inp

000638005.b3lyp_6-31g(d).qchem.inp (generated)

000638005.b3lyp_6-31g(d).gjf (generated)

000638005.b3lyp_6-31g(d).firefly.inp (generated)

000638005.b3lyp_6-31g(d).smash.inp (generated)

000638005.b3lyp_6-31g(d).nwchem.inp (generated) 000638005.b3lyp_6-31g(d).log.xz 000638005.td-b3lyp_6-31g+(d).inp 000638005.td-b3lyp_6-31g+(d).log.xz

000638005.td-b3lyp_6-31+g(d).qchem.inp (generated)

000638005.td-b3lyp_6-31+g(d).gjf (generated)

000638005.td-b3lyp_6-31+g(d).firefly.inp (generated)

000638005.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000638005.mol 000638005.PUBCHEM 000638005.mol (via Jmol)
000638007.b3lyp_6-31g(d).inp

000638007.b3lyp_6-31g(d).qchem.inp (generated)

000638007.b3lyp_6-31g(d).gjf (generated)

000638007.b3lyp_6-31g(d).firefly.inp (generated)

000638007.b3lyp_6-31g(d).smash.inp (generated)

000638007.b3lyp_6-31g(d).nwchem.inp (generated) 000638007.b3lyp_6-31g(d).log.xz 000638007.td-b3lyp_6-31g+(d).inp 000638007.td-b3lyp_6-31g+(d).log.xz

000638007.td-b3lyp_6-31+g(d).qchem.inp (generated)

000638007.td-b3lyp_6-31+g(d).gjf (generated)

000638007.td-b3lyp_6-31+g(d).firefly.inp (generated)

000638007.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000638007.mol 000638007.PUBCHEM 000638007.mol (via Jmol)
000638008.b3lyp_6-31g(d).inp

000638008.b3lyp_6-31g(d).qchem.inp (generated)

000638008.b3lyp_6-31g(d).gjf (generated)

000638008.b3lyp_6-31g(d).firefly.inp (generated)

000638008.b3lyp_6-31g(d).smash.inp (generated)

000638008.b3lyp_6-31g(d).nwchem.inp (generated) 000638008.b3lyp_6-31g(d).log.xz 000638008.td-b3lyp_6-31g+(d).inp 000638008.td-b3lyp_6-31g+(d).log.xz

000638008.td-b3lyp_6-31+g(d).qchem.inp (generated)

000638008.td-b3lyp_6-31+g(d).gjf (generated)

000638008.td-b3lyp_6-31+g(d).firefly.inp (generated)

000638008.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000638008.mol 000638008.PUBCHEM 000638008.mol (via Jmol)
000638009.b3lyp_6-31g(d).inp

000638009.b3lyp_6-31g(d).qchem.inp (generated)

000638009.b3lyp_6-31g(d).gjf (generated)

000638009.b3lyp_6-31g(d).firefly.inp (generated)

000638009.b3lyp_6-31g(d).smash.inp (generated)

000638009.b3lyp_6-31g(d).nwchem.inp (generated) 000638009.b3lyp_6-31g(d).log.xz 000638009.td-b3lyp_6-31g+(d).inp 000638009.td-b3lyp_6-31g+(d).log.xz

000638009.td-b3lyp_6-31+g(d).qchem.inp (generated)

000638009.td-b3lyp_6-31+g(d).gjf (generated)

000638009.td-b3lyp_6-31+g(d).firefly.inp (generated)

000638009.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000638009.mol 000638009.PUBCHEM 000638009.mol (via Jmol)
000638010.b3lyp_6-31g(d).inp

000638010.b3lyp_6-31g(d).qchem.inp (generated)

000638010.b3lyp_6-31g(d).gjf (generated)

000638010.b3lyp_6-31g(d).firefly.inp (generated)

000638010.b3lyp_6-31g(d).smash.inp (generated)

000638010.b3lyp_6-31g(d).nwchem.inp (generated) 000638010.b3lyp_6-31g(d).log.xz 000638010.td-b3lyp_6-31g+(d).inp 000638010.td-b3lyp_6-31g+(d).log.xz

000638010.td-b3lyp_6-31+g(d).qchem.inp (generated)

000638010.td-b3lyp_6-31+g(d).gjf (generated)

000638010.td-b3lyp_6-31+g(d).firefly.inp (generated)

000638010.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000638010.mol 000638010.PUBCHEM 000638010.mol (via Jmol)
000638011.b3lyp_6-31g(d).inp

000638011.b3lyp_6-31g(d).qchem.inp (generated)

000638011.b3lyp_6-31g(d).gjf (generated)

000638011.b3lyp_6-31g(d).firefly.inp (generated)

000638011.b3lyp_6-31g(d).smash.inp (generated)

000638011.b3lyp_6-31g(d).nwchem.inp (generated) 000638011.b3lyp_6-31g(d).log.xz 000638011.td-b3lyp_6-31g+(d).inp 000638011.td-b3lyp_6-31g+(d).log.xz

000638011.td-b3lyp_6-31+g(d).qchem.inp (generated)

000638011.td-b3lyp_6-31+g(d).gjf (generated)

000638011.td-b3lyp_6-31+g(d).firefly.inp (generated)

000638011.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000638011.mol 000638011.PUBCHEM 000638011.mol (via Jmol)
000638012.b3lyp_6-31g(d).inp

000638012.b3lyp_6-31g(d).qchem.inp (generated)

000638012.b3lyp_6-31g(d).gjf (generated)

000638012.b3lyp_6-31g(d).firefly.inp (generated)

000638012.b3lyp_6-31g(d).smash.inp (generated)

000638012.b3lyp_6-31g(d).nwchem.inp (generated) 000638012.b3lyp_6-31g(d).log.xz 000638012.td-b3lyp_6-31g+(d).inp 000638012.td-b3lyp_6-31g+(d).log.xz

000638012.td-b3lyp_6-31+g(d).qchem.inp (generated)

000638012.td-b3lyp_6-31+g(d).gjf (generated)

000638012.td-b3lyp_6-31+g(d).firefly.inp (generated)

000638012.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000638012.mol 000638012.PUBCHEM 000638012.mol (via Jmol)
000638013.b3lyp_6-31g(d).inp

000638013.b3lyp_6-31g(d).qchem.inp (generated)

000638013.b3lyp_6-31g(d).gjf (generated)

000638013.b3lyp_6-31g(d).firefly.inp (generated)

000638013.b3lyp_6-31g(d).smash.inp (generated)

000638013.b3lyp_6-31g(d).nwchem.inp (generated) 000638013.b3lyp_6-31g(d).log.xz 000638013.td-b3lyp_6-31g+(d).inp 000638013.td-b3lyp_6-31g+(d).log.xz

000638013.td-b3lyp_6-31+g(d).qchem.inp (generated)

000638013.td-b3lyp_6-31+g(d).gjf (generated)

000638013.td-b3lyp_6-31+g(d).firefly.inp (generated)

000638013.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000638013.mol 000638013.PUBCHEM 000638013.mol (via Jmol)
000638014.b3lyp_6-31g(d).inp

000638014.b3lyp_6-31g(d).qchem.inp (generated)

000638014.b3lyp_6-31g(d).gjf (generated)

000638014.b3lyp_6-31g(d).firefly.inp (generated)

000638014.b3lyp_6-31g(d).smash.inp (generated)

000638014.b3lyp_6-31g(d).nwchem.inp (generated) 000638014.b3lyp_6-31g(d).log.xz 000638014.td-b3lyp_6-31g+(d).inp 000638014.td-b3lyp_6-31g+(d).log.xz

000638014.td-b3lyp_6-31+g(d).qchem.inp (generated)

000638014.td-b3lyp_6-31+g(d).gjf (generated)

000638014.td-b3lyp_6-31+g(d).firefly.inp (generated)

000638014.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000638014.mol 000638014.PUBCHEM 000638014.mol (via Jmol)
000638021.b3lyp_6-31g(d).inp

000638021.b3lyp_6-31g(d).qchem.inp (generated)

000638021.b3lyp_6-31g(d).gjf (generated)

000638021.b3lyp_6-31g(d).firefly.inp (generated)

000638021.b3lyp_6-31g(d).smash.inp (generated)

000638021.b3lyp_6-31g(d).nwchem.inp (generated) 000638021.b3lyp_6-31g(d).log.xz 000638021.td-b3lyp_6-31g+(d).inp 000638021.td-b3lyp_6-31g+(d).log.xz

000638021.td-b3lyp_6-31+g(d).qchem.inp (generated)

000638021.td-b3lyp_6-31+g(d).gjf (generated)

000638021.td-b3lyp_6-31+g(d).firefly.inp (generated)

000638021.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000638021.mol 000638021.PUBCHEM 000638021.mol (via Jmol)
000638046.b3lyp_6-31g(d).inp

000638046.b3lyp_6-31g(d).qchem.inp (generated)

000638046.b3lyp_6-31g(d).gjf (generated)

000638046.b3lyp_6-31g(d).firefly.inp (generated)

000638046.b3lyp_6-31g(d).smash.inp (generated)

000638046.b3lyp_6-31g(d).nwchem.inp (generated) 000638046.b3lyp_6-31g(d).log.xz 000638046.td-b3lyp_6-31g+(d).inp 000638046.td-b3lyp_6-31g+(d).log.xz

000638046.td-b3lyp_6-31+g(d).qchem.inp (generated)

000638046.td-b3lyp_6-31+g(d).gjf (generated)

000638046.td-b3lyp_6-31+g(d).firefly.inp (generated)

000638046.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000638046.mol 000638046.PUBCHEM 000638046.mol (via Jmol)
000638047.b3lyp_6-31g(d).inp

000638047.b3lyp_6-31g(d).qchem.inp (generated)

000638047.b3lyp_6-31g(d).gjf (generated)

000638047.b3lyp_6-31g(d).firefly.inp (generated)

000638047.b3lyp_6-31g(d).smash.inp (generated)

000638047.b3lyp_6-31g(d).nwchem.inp (generated) 000638047.b3lyp_6-31g(d).log.xz 000638047.td-b3lyp_6-31g+(d).inp 000638047.td-b3lyp_6-31g+(d).log.xz

000638047.td-b3lyp_6-31+g(d).qchem.inp (generated)

000638047.td-b3lyp_6-31+g(d).gjf (generated)

000638047.td-b3lyp_6-31+g(d).firefly.inp (generated)

000638047.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000638047.mol 000638047.PUBCHEM 000638047.mol (via Jmol)
000638048.b3lyp_6-31g(d).inp

000638048.b3lyp_6-31g(d).qchem.inp (generated)

000638048.b3lyp_6-31g(d).gjf (generated)

000638048.b3lyp_6-31g(d).firefly.inp (generated)

000638048.b3lyp_6-31g(d).smash.inp (generated)

000638048.b3lyp_6-31g(d).nwchem.inp (generated) 000638048.b3lyp_6-31g(d).log.xz 000638048.td-b3lyp_6-31g+(d).inp 000638048.td-b3lyp_6-31g+(d).log.xz

000638048.td-b3lyp_6-31+g(d).qchem.inp (generated)

000638048.td-b3lyp_6-31+g(d).gjf (generated)

000638048.td-b3lyp_6-31+g(d).firefly.inp (generated)

000638048.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000638048.mol 000638048.PUBCHEM 000638048.mol (via Jmol)
000638049.b3lyp_6-31g(d).inp

000638049.b3lyp_6-31g(d).qchem.inp (generated)

000638049.b3lyp_6-31g(d).gjf (generated)

000638049.b3lyp_6-31g(d).firefly.inp (generated)

000638049.b3lyp_6-31g(d).smash.inp (generated)

000638049.b3lyp_6-31g(d).nwchem.inp (generated) 000638049.b3lyp_6-31g(d).log.xz 000638049.td-b3lyp_6-31g+(d).inp 000638049.td-b3lyp_6-31g+(d).log.xz

000638049.td-b3lyp_6-31+g(d).qchem.inp (generated)

000638049.td-b3lyp_6-31+g(d).gjf (generated)

000638049.td-b3lyp_6-31+g(d).firefly.inp (generated)

000638049.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000638049.mol 000638049.PUBCHEM 000638049.mol (via Jmol)
000638051.b3lyp_6-31g(d).inp

000638051.b3lyp_6-31g(d).qchem.inp (generated)

000638051.b3lyp_6-31g(d).gjf (generated)

000638051.b3lyp_6-31g(d).firefly.inp (generated)

000638051.b3lyp_6-31g(d).smash.inp (generated)

000638051.b3lyp_6-31g(d).nwchem.inp (generated) 000638051.b3lyp_6-31g(d).log.xz 000638051.td-b3lyp_6-31g+(d).inp 000638051.td-b3lyp_6-31g+(d).log.xz

000638051.td-b3lyp_6-31+g(d).qchem.inp (generated)

000638051.td-b3lyp_6-31+g(d).gjf (generated)

000638051.td-b3lyp_6-31+g(d).firefly.inp (generated)

000638051.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000638051.mol 000638051.PUBCHEM 000638051.mol (via Jmol)
000638053.b3lyp_6-31g(d).inp

000638053.b3lyp_6-31g(d).qchem.inp (generated)

000638053.b3lyp_6-31g(d).gjf (generated)

000638053.b3lyp_6-31g(d).firefly.inp (generated)

000638053.b3lyp_6-31g(d).smash.inp (generated)

000638053.b3lyp_6-31g(d).nwchem.inp (generated) 000638053.b3lyp_6-31g(d).log.xz 000638053.td-b3lyp_6-31g+(d).inp 000638053.td-b3lyp_6-31g+(d).log.xz

000638053.td-b3lyp_6-31+g(d).qchem.inp (generated)

000638053.td-b3lyp_6-31+g(d).gjf (generated)

000638053.td-b3lyp_6-31+g(d).firefly.inp (generated)

000638053.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000638053.mol 000638053.PUBCHEM 000638053.mol (via Jmol)
000638054.b3lyp_6-31g(d).inp

000638054.b3lyp_6-31g(d).qchem.inp (generated)

000638054.b3lyp_6-31g(d).gjf (generated)

000638054.b3lyp_6-31g(d).firefly.inp (generated)

000638054.b3lyp_6-31g(d).smash.inp (generated)

000638054.b3lyp_6-31g(d).nwchem.inp (generated) 000638054.b3lyp_6-31g(d).log.xz 000638054.td-b3lyp_6-31g+(d).inp 000638054.td-b3lyp_6-31g+(d).log.xz

000638054.td-b3lyp_6-31+g(d).qchem.inp (generated)

000638054.td-b3lyp_6-31+g(d).gjf (generated)

000638054.td-b3lyp_6-31+g(d).firefly.inp (generated)

000638054.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000638054.mol 000638054.PUBCHEM 000638054.mol (via Jmol)
000638055.b3lyp_6-31g(d).inp

000638055.b3lyp_6-31g(d).qchem.inp (generated)

000638055.b3lyp_6-31g(d).gjf (generated)

000638055.b3lyp_6-31g(d).firefly.inp (generated)

000638055.b3lyp_6-31g(d).smash.inp (generated)

000638055.b3lyp_6-31g(d).nwchem.inp (generated) 000638055.b3lyp_6-31g(d).log.xz 000638055.td-b3lyp_6-31g+(d).inp 000638055.td-b3lyp_6-31g+(d).log.xz

000638055.td-b3lyp_6-31+g(d).qchem.inp (generated)

000638055.td-b3lyp_6-31+g(d).gjf (generated)

000638055.td-b3lyp_6-31+g(d).firefly.inp (generated)

000638055.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000638055.mol 000638055.PUBCHEM 000638055.mol (via Jmol)
000638056.b3lyp_6-31g(d).inp

000638056.b3lyp_6-31g(d).qchem.inp (generated)

000638056.b3lyp_6-31g(d).gjf (generated)

000638056.b3lyp_6-31g(d).firefly.inp (generated)

000638056.b3lyp_6-31g(d).smash.inp (generated)

000638056.b3lyp_6-31g(d).nwchem.inp (generated) 000638056.b3lyp_6-31g(d).log.xz 000638056.td-b3lyp_6-31g+(d).inp 000638056.td-b3lyp_6-31g+(d).log.xz

000638056.td-b3lyp_6-31+g(d).qchem.inp (generated)

000638056.td-b3lyp_6-31+g(d).gjf (generated)

000638056.td-b3lyp_6-31+g(d).firefly.inp (generated)

000638056.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000638056.mol 000638056.PUBCHEM 000638056.mol (via Jmol)
000638057.b3lyp_6-31g(d).inp

000638057.b3lyp_6-31g(d).qchem.inp (generated)

000638057.b3lyp_6-31g(d).gjf (generated)

000638057.b3lyp_6-31g(d).firefly.inp (generated)

000638057.b3lyp_6-31g(d).smash.inp (generated)

000638057.b3lyp_6-31g(d).nwchem.inp (generated) 000638057.b3lyp_6-31g(d).log.xz 000638057.td-b3lyp_6-31g+(d).inp 000638057.td-b3lyp_6-31g+(d).log.xz

000638057.td-b3lyp_6-31+g(d).qchem.inp (generated)

000638057.td-b3lyp_6-31+g(d).gjf (generated)

000638057.td-b3lyp_6-31+g(d).firefly.inp (generated)

000638057.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000638057.mol 000638057.PUBCHEM 000638057.mol (via Jmol)
000638061.b3lyp_6-31g(d).inp

000638061.b3lyp_6-31g(d).qchem.inp (generated)

000638061.b3lyp_6-31g(d).gjf (generated)

000638061.b3lyp_6-31g(d).firefly.inp (generated)

000638061.b3lyp_6-31g(d).smash.inp (generated)

000638061.b3lyp_6-31g(d).nwchem.inp (generated) 000638061.b3lyp_6-31g(d).log.xz 000638061.td-b3lyp_6-31g+(d).inp 000638061.td-b3lyp_6-31g+(d).log.xz

000638061.td-b3lyp_6-31+g(d).qchem.inp (generated)

000638061.td-b3lyp_6-31+g(d).gjf (generated)

000638061.td-b3lyp_6-31+g(d).firefly.inp (generated)

000638061.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000638061.mol 000638061.PUBCHEM 000638061.mol (via Jmol)
000638062.b3lyp_6-31g(d).inp

000638062.b3lyp_6-31g(d).qchem.inp (generated)

000638062.b3lyp_6-31g(d).gjf (generated)

000638062.b3lyp_6-31g(d).firefly.inp (generated)

000638062.b3lyp_6-31g(d).smash.inp (generated)

000638062.b3lyp_6-31g(d).nwchem.inp (generated) 000638062.b3lyp_6-31g(d).log.xz 000638062.td-b3lyp_6-31g+(d).inp 000638062.td-b3lyp_6-31g+(d).log.xz

000638062.td-b3lyp_6-31+g(d).qchem.inp (generated)

000638062.td-b3lyp_6-31+g(d).gjf (generated)

000638062.td-b3lyp_6-31+g(d).firefly.inp (generated)

000638062.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000638062.mol 000638062.PUBCHEM 000638062.mol (via Jmol)
000638063.b3lyp_6-31g(d).inp

000638063.b3lyp_6-31g(d).qchem.inp (generated)

000638063.b3lyp_6-31g(d).gjf (generated)

000638063.b3lyp_6-31g(d).firefly.inp (generated)

000638063.b3lyp_6-31g(d).smash.inp (generated)

000638063.b3lyp_6-31g(d).nwchem.inp (generated) 000638063.b3lyp_6-31g(d).log.xz 000638063.td-b3lyp_6-31g+(d).inp 000638063.td-b3lyp_6-31g+(d).log.xz

000638063.td-b3lyp_6-31+g(d).qchem.inp (generated)

000638063.td-b3lyp_6-31+g(d).gjf (generated)

000638063.td-b3lyp_6-31+g(d).firefly.inp (generated)

000638063.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000638063.mol 000638063.PUBCHEM 000638063.mol (via Jmol)
000638064.b3lyp_6-31g(d).inp

000638064.b3lyp_6-31g(d).qchem.inp (generated)

000638064.b3lyp_6-31g(d).gjf (generated)

000638064.b3lyp_6-31g(d).firefly.inp (generated)

000638064.b3lyp_6-31g(d).smash.inp (generated)

000638064.b3lyp_6-31g(d).nwchem.inp (generated) 000638064.b3lyp_6-31g(d).log.xz 000638064.td-b3lyp_6-31g+(d).inp 000638064.td-b3lyp_6-31g+(d).log.xz

000638064.td-b3lyp_6-31+g(d).qchem.inp (generated)

000638064.td-b3lyp_6-31+g(d).gjf (generated)

000638064.td-b3lyp_6-31+g(d).firefly.inp (generated)

000638064.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000638064.mol 000638064.PUBCHEM 000638064.mol (via Jmol)
000638066.b3lyp_6-31g(d).inp

000638066.b3lyp_6-31g(d).qchem.inp (generated)

000638066.b3lyp_6-31g(d).gjf (generated)

000638066.b3lyp_6-31g(d).firefly.inp (generated)

000638066.b3lyp_6-31g(d).smash.inp (generated)

000638066.b3lyp_6-31g(d).nwchem.inp (generated) 000638066.b3lyp_6-31g(d).log.xz 000638066.td-b3lyp_6-31g+(d).inp 000638066.td-b3lyp_6-31g+(d).log.xz

000638066.td-b3lyp_6-31+g(d).qchem.inp (generated)

000638066.td-b3lyp_6-31+g(d).gjf (generated)

000638066.td-b3lyp_6-31+g(d).firefly.inp (generated)

000638066.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000638066.mol 000638066.PUBCHEM 000638066.mol (via Jmol)
000638068.b3lyp_6-31g(d).inp

000638068.b3lyp_6-31g(d).qchem.inp (generated)

000638068.b3lyp_6-31g(d).gjf (generated)

000638068.b3lyp_6-31g(d).firefly.inp (generated)

000638068.b3lyp_6-31g(d).smash.inp (generated)

000638068.b3lyp_6-31g(d).nwchem.inp (generated) 000638068.b3lyp_6-31g(d).log.xz 000638068.td-b3lyp_6-31g+(d).inp 000638068.td-b3lyp_6-31g+(d).log.xz

000638068.td-b3lyp_6-31+g(d).qchem.inp (generated)

000638068.td-b3lyp_6-31+g(d).gjf (generated)

000638068.td-b3lyp_6-31+g(d).firefly.inp (generated)

000638068.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000638068.mol 000638068.PUBCHEM 000638068.mol (via Jmol)
000638069.b3lyp_6-31g(d).inp

000638069.b3lyp_6-31g(d).qchem.inp (generated)

000638069.b3lyp_6-31g(d).gjf (generated)

000638069.b3lyp_6-31g(d).firefly.inp (generated)

000638069.b3lyp_6-31g(d).smash.inp (generated)

000638069.b3lyp_6-31g(d).nwchem.inp (generated) 000638069.b3lyp_6-31g(d).log.xz 000638069.td-b3lyp_6-31g+(d).inp 000638069.td-b3lyp_6-31g+(d).log.xz

000638069.td-b3lyp_6-31+g(d).qchem.inp (generated)

000638069.td-b3lyp_6-31+g(d).gjf (generated)

000638069.td-b3lyp_6-31+g(d).firefly.inp (generated)

000638069.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000638069.mol 000638069.PUBCHEM 000638069.mol (via Jmol)
000638070.b3lyp_6-31g(d).inp

000638070.b3lyp_6-31g(d).qchem.inp (generated)

000638070.b3lyp_6-31g(d).gjf (generated)

000638070.b3lyp_6-31g(d).firefly.inp (generated)

000638070.b3lyp_6-31g(d).smash.inp (generated)

000638070.b3lyp_6-31g(d).nwchem.inp (generated) 000638070.b3lyp_6-31g(d).log.xz 000638070.td-b3lyp_6-31g+(d).inp 000638070.td-b3lyp_6-31g+(d).log.xz

000638070.td-b3lyp_6-31+g(d).qchem.inp (generated)

000638070.td-b3lyp_6-31+g(d).gjf (generated)

000638070.td-b3lyp_6-31+g(d).firefly.inp (generated)

000638070.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000638070.mol 000638070.PUBCHEM 000638070.mol (via Jmol)
000638071.b3lyp_6-31g(d).inp

000638071.b3lyp_6-31g(d).qchem.inp (generated)

000638071.b3lyp_6-31g(d).gjf (generated)

000638071.b3lyp_6-31g(d).firefly.inp (generated)

000638071.b3lyp_6-31g(d).smash.inp (generated)

000638071.b3lyp_6-31g(d).nwchem.inp (generated) 000638071.b3lyp_6-31g(d).log.xz 000638071.td-b3lyp_6-31g+(d).inp 000638071.td-b3lyp_6-31g+(d).log.xz

000638071.td-b3lyp_6-31+g(d).qchem.inp (generated)

000638071.td-b3lyp_6-31+g(d).gjf (generated)

000638071.td-b3lyp_6-31+g(d).firefly.inp (generated)

000638071.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000638071.mol 000638071.PUBCHEM 000638071.mol (via Jmol)
000638073.b3lyp_6-31g(d).inp

000638073.b3lyp_6-31g(d).qchem.inp (generated)

000638073.b3lyp_6-31g(d).gjf (generated)

000638073.b3lyp_6-31g(d).firefly.inp (generated)

000638073.b3lyp_6-31g(d).smash.inp (generated)

000638073.b3lyp_6-31g(d).nwchem.inp (generated) 000638073.b3lyp_6-31g(d).log.xz 000638073.td-b3lyp_6-31g+(d).inp 000638073.td-b3lyp_6-31g+(d).log.xz

000638073.td-b3lyp_6-31+g(d).qchem.inp (generated)

000638073.td-b3lyp_6-31+g(d).gjf (generated)

000638073.td-b3lyp_6-31+g(d).firefly.inp (generated)

000638073.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000638073.mol 000638073.PUBCHEM 000638073.mol (via Jmol)
000638074.b3lyp_6-31g(d).inp

000638074.b3lyp_6-31g(d).qchem.inp (generated)

000638074.b3lyp_6-31g(d).gjf (generated)

000638074.b3lyp_6-31g(d).firefly.inp (generated)

000638074.b3lyp_6-31g(d).smash.inp (generated)

000638074.b3lyp_6-31g(d).nwchem.inp (generated) 000638074.b3lyp_6-31g(d).log.xz 000638074.td-b3lyp_6-31g+(d).inp 000638074.td-b3lyp_6-31g+(d).log.xz

000638074.td-b3lyp_6-31+g(d).qchem.inp (generated)

000638074.td-b3lyp_6-31+g(d).gjf (generated)

000638074.td-b3lyp_6-31+g(d).firefly.inp (generated)

000638074.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000638074.mol 000638074.PUBCHEM 000638074.mol (via Jmol)
000638075.b3lyp_6-31g(d).inp

000638075.b3lyp_6-31g(d).qchem.inp (generated)

000638075.b3lyp_6-31g(d).gjf (generated)

000638075.b3lyp_6-31g(d).firefly.inp (generated)

000638075.b3lyp_6-31g(d).smash.inp (generated)

000638075.b3lyp_6-31g(d).nwchem.inp (generated) 000638075.b3lyp_6-31g(d).log.xz 000638075.td-b3lyp_6-31g+(d).inp 000638075.td-b3lyp_6-31g+(d).log.xz

000638075.td-b3lyp_6-31+g(d).qchem.inp (generated)

000638075.td-b3lyp_6-31+g(d).gjf (generated)

000638075.td-b3lyp_6-31+g(d).firefly.inp (generated)

000638075.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000638075.mol 000638075.PUBCHEM 000638075.mol (via Jmol)
000638076.b3lyp_6-31g(d).inp

000638076.b3lyp_6-31g(d).qchem.inp (generated)

000638076.b3lyp_6-31g(d).gjf (generated)

000638076.b3lyp_6-31g(d).firefly.inp (generated)

000638076.b3lyp_6-31g(d).smash.inp (generated)

000638076.b3lyp_6-31g(d).nwchem.inp (generated) 000638076.b3lyp_6-31g(d).log.xz 000638076.td-b3lyp_6-31g+(d).inp 000638076.td-b3lyp_6-31g+(d).log.xz

000638076.td-b3lyp_6-31+g(d).qchem.inp (generated)

000638076.td-b3lyp_6-31+g(d).gjf (generated)

000638076.td-b3lyp_6-31+g(d).firefly.inp (generated)

000638076.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000638076.mol 000638076.PUBCHEM 000638076.mol (via Jmol)
000638077.b3lyp_6-31g(d).inp

000638077.b3lyp_6-31g(d).qchem.inp (generated)

000638077.b3lyp_6-31g(d).gjf (generated)

000638077.b3lyp_6-31g(d).firefly.inp (generated)

000638077.b3lyp_6-31g(d).smash.inp (generated)

000638077.b3lyp_6-31g(d).nwchem.inp (generated) 000638077.b3lyp_6-31g(d).log.xz 000638077.td-b3lyp_6-31g+(d).inp 000638077.td-b3lyp_6-31g+(d).log.xz

000638077.td-b3lyp_6-31+g(d).qchem.inp (generated)

000638077.td-b3lyp_6-31+g(d).gjf (generated)

000638077.td-b3lyp_6-31+g(d).firefly.inp (generated)

000638077.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000638077.mol 000638077.PUBCHEM 000638077.mol (via Jmol)
000638078.b3lyp_6-31g(d).inp

000638078.b3lyp_6-31g(d).qchem.inp (generated)

000638078.b3lyp_6-31g(d).gjf (generated)

000638078.b3lyp_6-31g(d).firefly.inp (generated)

000638078.b3lyp_6-31g(d).smash.inp (generated)

000638078.b3lyp_6-31g(d).nwchem.inp (generated) 000638078.b3lyp_6-31g(d).log.xz 000638078.td-b3lyp_6-31g+(d).inp 000638078.td-b3lyp_6-31g+(d).log.xz

000638078.td-b3lyp_6-31+g(d).qchem.inp (generated)

000638078.td-b3lyp_6-31+g(d).gjf (generated)

000638078.td-b3lyp_6-31+g(d).firefly.inp (generated)

000638078.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000638078.mol 000638078.PUBCHEM 000638078.mol (via Jmol)
000638081.b3lyp_6-31g(d).inp

000638081.b3lyp_6-31g(d).qchem.inp (generated)

000638081.b3lyp_6-31g(d).gjf (generated)

000638081.b3lyp_6-31g(d).firefly.inp (generated)

000638081.b3lyp_6-31g(d).smash.inp (generated)

000638081.b3lyp_6-31g(d).nwchem.inp (generated) 000638081.b3lyp_6-31g(d).log.xz 000638081.td-b3lyp_6-31g+(d).inp 000638081.td-b3lyp_6-31g+(d).log.xz

000638081.td-b3lyp_6-31+g(d).qchem.inp (generated)

000638081.td-b3lyp_6-31+g(d).gjf (generated)

000638081.td-b3lyp_6-31+g(d).firefly.inp (generated)

000638081.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000638081.mol 000638081.PUBCHEM 000638081.mol (via Jmol)
000638082.b3lyp_6-31g(d).inp

000638082.b3lyp_6-31g(d).qchem.inp (generated)

000638082.b3lyp_6-31g(d).gjf (generated)

000638082.b3lyp_6-31g(d).firefly.inp (generated)

000638082.b3lyp_6-31g(d).smash.inp (generated)

000638082.b3lyp_6-31g(d).nwchem.inp (generated) 000638082.b3lyp_6-31g(d).log.xz 000638082.td-b3lyp_6-31g+(d).inp 000638082.td-b3lyp_6-31g+(d).log.xz

000638082.td-b3lyp_6-31+g(d).qchem.inp (generated)

000638082.td-b3lyp_6-31+g(d).gjf (generated)

000638082.td-b3lyp_6-31+g(d).firefly.inp (generated)

000638082.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000638082.mol 000638082.PUBCHEM 000638082.mol (via Jmol)
000638083.b3lyp_6-31g(d).inp

000638083.b3lyp_6-31g(d).qchem.inp (generated)

000638083.b3lyp_6-31g(d).gjf (generated)

000638083.b3lyp_6-31g(d).firefly.inp (generated)

000638083.b3lyp_6-31g(d).smash.inp (generated)

000638083.b3lyp_6-31g(d).nwchem.inp (generated) 000638083.b3lyp_6-31g(d).log.xz 000638083.td-b3lyp_6-31g+(d).inp 000638083.td-b3lyp_6-31g+(d).log.xz

000638083.td-b3lyp_6-31+g(d).qchem.inp (generated)

000638083.td-b3lyp_6-31+g(d).gjf (generated)

000638083.td-b3lyp_6-31+g(d).firefly.inp (generated)

000638083.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000638083.mol 000638083.PUBCHEM 000638083.mol (via Jmol)
000638085.b3lyp_6-31g(d).inp

000638085.b3lyp_6-31g(d).qchem.inp (generated)

000638085.b3lyp_6-31g(d).gjf (generated)

000638085.b3lyp_6-31g(d).firefly.inp (generated)

000638085.b3lyp_6-31g(d).smash.inp (generated)

000638085.b3lyp_6-31g(d).nwchem.inp (generated) 000638085.b3lyp_6-31g(d).log.xz 000638085.td-b3lyp_6-31g+(d).inp 000638085.td-b3lyp_6-31g+(d).log.xz

000638085.td-b3lyp_6-31+g(d).qchem.inp (generated)

000638085.td-b3lyp_6-31+g(d).gjf (generated)

000638085.td-b3lyp_6-31+g(d).firefly.inp (generated)

000638085.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000638085.mol 000638085.PUBCHEM 000638085.mol (via Jmol)
000638086.b3lyp_6-31g(d).inp

000638086.b3lyp_6-31g(d).qchem.inp (generated)

000638086.b3lyp_6-31g(d).gjf (generated)

000638086.b3lyp_6-31g(d).firefly.inp (generated)

000638086.b3lyp_6-31g(d).smash.inp (generated)

000638086.b3lyp_6-31g(d).nwchem.inp (generated) 000638086.b3lyp_6-31g(d).log.xz 000638086.td-b3lyp_6-31g+(d).inp 000638086.td-b3lyp_6-31g+(d).log.xz

000638086.td-b3lyp_6-31+g(d).qchem.inp (generated)

000638086.td-b3lyp_6-31+g(d).gjf (generated)

000638086.td-b3lyp_6-31+g(d).firefly.inp (generated)

000638086.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000638086.mol 000638086.PUBCHEM 000638086.mol (via Jmol)
000638087.b3lyp_6-31g(d).inp

000638087.b3lyp_6-31g(d).qchem.inp (generated)

000638087.b3lyp_6-31g(d).gjf (generated)

000638087.b3lyp_6-31g(d).firefly.inp (generated)

000638087.b3lyp_6-31g(d).smash.inp (generated)

000638087.b3lyp_6-31g(d).nwchem.inp (generated) 000638087.b3lyp_6-31g(d).log.xz 000638087.td-b3lyp_6-31g+(d).inp 000638087.td-b3lyp_6-31g+(d).log.xz

000638087.td-b3lyp_6-31+g(d).qchem.inp (generated)

000638087.td-b3lyp_6-31+g(d).gjf (generated)

000638087.td-b3lyp_6-31+g(d).firefly.inp (generated)

000638087.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000638087.mol 000638087.PUBCHEM 000638087.mol (via Jmol)
000638089.b3lyp_6-31g(d).inp

000638089.b3lyp_6-31g(d).qchem.inp (generated)

000638089.b3lyp_6-31g(d).gjf (generated)

000638089.b3lyp_6-31g(d).firefly.inp (generated)

000638089.b3lyp_6-31g(d).smash.inp (generated)

000638089.b3lyp_6-31g(d).nwchem.inp (generated) 000638089.b3lyp_6-31g(d).log.xz 000638089.td-b3lyp_6-31g+(d).inp 000638089.td-b3lyp_6-31g+(d).log.xz

000638089.td-b3lyp_6-31+g(d).qchem.inp (generated)

000638089.td-b3lyp_6-31+g(d).gjf (generated)

000638089.td-b3lyp_6-31+g(d).firefly.inp (generated)

000638089.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000638089.mol 000638089.PUBCHEM 000638089.mol (via Jmol)
000638097.b3lyp_6-31g(d).inp

000638097.b3lyp_6-31g(d).qchem.inp (generated)

000638097.b3lyp_6-31g(d).gjf (generated)

000638097.b3lyp_6-31g(d).firefly.inp (generated)

000638097.b3lyp_6-31g(d).smash.inp (generated)

000638097.b3lyp_6-31g(d).nwchem.inp (generated) 000638097.b3lyp_6-31g(d).log.xz 000638097.td-b3lyp_6-31g+(d).inp 000638097.td-b3lyp_6-31g+(d).log.xz

000638097.td-b3lyp_6-31+g(d).qchem.inp (generated)

000638097.td-b3lyp_6-31+g(d).gjf (generated)

000638097.td-b3lyp_6-31+g(d).firefly.inp (generated)

000638097.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000638097.mol 000638097.PUBCHEM 000638097.mol (via Jmol)
000638098.b3lyp_6-31g(d).inp

000638098.b3lyp_6-31g(d).qchem.inp (generated)

000638098.b3lyp_6-31g(d).gjf (generated)

000638098.b3lyp_6-31g(d).firefly.inp (generated)

000638098.b3lyp_6-31g(d).smash.inp (generated)

000638098.b3lyp_6-31g(d).nwchem.inp (generated) 000638098.b3lyp_6-31g(d).log.xz 000638098.td-b3lyp_6-31g+(d).inp 000638098.td-b3lyp_6-31g+(d).log.xz

000638098.td-b3lyp_6-31+g(d).qchem.inp (generated)

000638098.td-b3lyp_6-31+g(d).gjf (generated)

000638098.td-b3lyp_6-31+g(d).firefly.inp (generated)

000638098.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000638098.mol 000638098.PUBCHEM 000638098.mol (via Jmol)
000638099.b3lyp_6-31g(d).inp

000638099.b3lyp_6-31g(d).qchem.inp (generated)

000638099.b3lyp_6-31g(d).gjf (generated)

000638099.b3lyp_6-31g(d).firefly.inp (generated)

000638099.b3lyp_6-31g(d).smash.inp (generated)

000638099.b3lyp_6-31g(d).nwchem.inp (generated) 000638099.b3lyp_6-31g(d).log.xz 000638099.td-b3lyp_6-31g+(d).inp 000638099.td-b3lyp_6-31g+(d).log.xz

000638099.td-b3lyp_6-31+g(d).qchem.inp (generated)

000638099.td-b3lyp_6-31+g(d).gjf (generated)

000638099.td-b3lyp_6-31+g(d).firefly.inp (generated)

000638099.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000638099.mol 000638099.PUBCHEM