Index of

Last updated : Thu Feb 23 01:59:54 JST 2017
Total : 1986 (1492) in this page
000750000.b3lyp_6-31g(d).inp

000750000.b3lyp_6-31g(d).qchem.inp (generated)

000750000.b3lyp_6-31g(d).gjf (generated)

000750000.b3lyp_6-31g(d).firefly.inp (generated)

000750000.b3lyp_6-31g(d).smash.inp (generated)

000750000.b3lyp_6-31g(d).nwchem.inp (generated) 000750000.b3lyp_6-31g(d).log.xz 000750000.mol 000750000.PUBCHEM 000750000.mol (via Jmol)
000750001.b3lyp_6-31g(d).inp

000750001.b3lyp_6-31g(d).qchem.inp (generated)

000750001.b3lyp_6-31g(d).gjf (generated)

000750001.b3lyp_6-31g(d).firefly.inp (generated)

000750001.b3lyp_6-31g(d).smash.inp (generated)

000750001.b3lyp_6-31g(d).nwchem.inp (generated) 000750001.b3lyp_6-31g(d).log.xz 000750001.mol 000750001.PUBCHEM 000750001.mol (via Jmol)
000750002.b3lyp_6-31g(d).inp

000750002.b3lyp_6-31g(d).qchem.inp (generated)

000750002.b3lyp_6-31g(d).gjf (generated)

000750002.b3lyp_6-31g(d).firefly.inp (generated)

000750002.b3lyp_6-31g(d).smash.inp (generated)

000750002.b3lyp_6-31g(d).nwchem.inp (generated) 000750002.b3lyp_6-31g(d).log.xz 000750002.td-b3lyp_6-31g+(d).inp 000750002.td-b3lyp_6-31g+(d).log.xz

000750002.td-b3lyp_6-31+g(d).qchem.inp (generated)

000750002.td-b3lyp_6-31+g(d).gjf (generated)

000750002.td-b3lyp_6-31+g(d).firefly.inp (generated)

000750002.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000750002.mol 000750002.PUBCHEM 000750002.mol (via Jmol)
000750003.b3lyp_6-31g(d).inp

000750003.b3lyp_6-31g(d).qchem.inp (generated)

000750003.b3lyp_6-31g(d).gjf (generated)

000750003.b3lyp_6-31g(d).firefly.inp (generated)

000750003.b3lyp_6-31g(d).smash.inp (generated)

000750003.b3lyp_6-31g(d).nwchem.inp (generated) 000750003.b3lyp_6-31g(d).log.xz 000750003.td-b3lyp_6-31g+(d).inp 000750003.td-b3lyp_6-31g+(d).log.xz

000750003.td-b3lyp_6-31+g(d).qchem.inp (generated)

000750003.td-b3lyp_6-31+g(d).gjf (generated)

000750003.td-b3lyp_6-31+g(d).firefly.inp (generated)

000750003.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000750003.mol 000750003.PUBCHEM 000750003.mol (via Jmol)
000750004.b3lyp_6-31g(d).inp

000750004.b3lyp_6-31g(d).qchem.inp (generated)

000750004.b3lyp_6-31g(d).gjf (generated)

000750004.b3lyp_6-31g(d).firefly.inp (generated)

000750004.b3lyp_6-31g(d).smash.inp (generated)

000750004.b3lyp_6-31g(d).nwchem.inp (generated) 000750004.b3lyp_6-31g(d).log.xz 000750004.mol 000750004.PUBCHEM 000750004.mol (via Jmol)
000750005.b3lyp_6-31g(d).inp

000750005.b3lyp_6-31g(d).qchem.inp (generated)

000750005.b3lyp_6-31g(d).gjf (generated)

000750005.b3lyp_6-31g(d).firefly.inp (generated)

000750005.b3lyp_6-31g(d).smash.inp (generated)

000750005.b3lyp_6-31g(d).nwchem.inp (generated) 000750005.b3lyp_6-31g(d).log.xz 000750005.td-b3lyp_6-31g+(d).inp 000750005.td-b3lyp_6-31g+(d).log.xz

000750005.td-b3lyp_6-31+g(d).qchem.inp (generated)

000750005.td-b3lyp_6-31+g(d).gjf (generated)

000750005.td-b3lyp_6-31+g(d).firefly.inp (generated)

000750005.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000750005.mol 000750005.PUBCHEM 000750005.mol (via Jmol)
000750044.b3lyp_6-31g(d).inp

000750044.b3lyp_6-31g(d).qchem.inp (generated)

000750044.b3lyp_6-31g(d).gjf (generated)

000750044.b3lyp_6-31g(d).firefly.inp (generated)

000750044.b3lyp_6-31g(d).smash.inp (generated)

000750044.b3lyp_6-31g(d).nwchem.inp (generated) 000750044.b3lyp_6-31g(d).log.xz 000750044.td-b3lyp_6-31g+(d).inp 000750044.td-b3lyp_6-31g+(d).log.xz

000750044.td-b3lyp_6-31+g(d).qchem.inp (generated)

000750044.td-b3lyp_6-31+g(d).gjf (generated)

000750044.td-b3lyp_6-31+g(d).firefly.inp (generated)

000750044.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000750044.mol 000750044.PUBCHEM 000750044.mol (via Jmol)
000750050.b3lyp_6-31g(d).inp

000750050.b3lyp_6-31g(d).qchem.inp (generated)

000750050.b3lyp_6-31g(d).gjf (generated)

000750050.b3lyp_6-31g(d).firefly.inp (generated)

000750050.b3lyp_6-31g(d).smash.inp (generated)

000750050.b3lyp_6-31g(d).nwchem.inp (generated) 000750050.b3lyp_6-31g(d).log.xz 000750050.td-b3lyp_6-31g+(d).inp 000750050.td-b3lyp_6-31g+(d).log.xz

000750050.td-b3lyp_6-31+g(d).qchem.inp (generated)

000750050.td-b3lyp_6-31+g(d).gjf (generated)

000750050.td-b3lyp_6-31+g(d).firefly.inp (generated)

000750050.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000750050.mol 000750050.PUBCHEM 000750050.mol (via Jmol)
000750052.b3lyp_6-31g(d).inp

000750052.b3lyp_6-31g(d).qchem.inp (generated)

000750052.b3lyp_6-31g(d).gjf (generated)

000750052.b3lyp_6-31g(d).firefly.inp (generated)

000750052.b3lyp_6-31g(d).smash.inp (generated)

000750052.b3lyp_6-31g(d).nwchem.inp (generated) 000750052.b3lyp_6-31g(d).log.xz 000750052.td-b3lyp_6-31g+(d).inp 000750052.td-b3lyp_6-31g+(d).log.xz

000750052.td-b3lyp_6-31+g(d).qchem.inp (generated)

000750052.td-b3lyp_6-31+g(d).gjf (generated)

000750052.td-b3lyp_6-31+g(d).firefly.inp (generated)

000750052.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000750052.mol 000750052.PUBCHEM 000750052.mol (via Jmol)
000750056.b3lyp_6-31g(d).inp

000750056.b3lyp_6-31g(d).qchem.inp (generated)

000750056.b3lyp_6-31g(d).gjf (generated)

000750056.b3lyp_6-31g(d).firefly.inp (generated)

000750056.b3lyp_6-31g(d).smash.inp (generated)

000750056.b3lyp_6-31g(d).nwchem.inp (generated) 000750056.b3lyp_6-31g(d).log.xz 000750056.td-b3lyp_6-31g+(d).inp 000750056.td-b3lyp_6-31g+(d).log.xz

000750056.td-b3lyp_6-31+g(d).qchem.inp (generated)

000750056.td-b3lyp_6-31+g(d).gjf (generated)

000750056.td-b3lyp_6-31+g(d).firefly.inp (generated)

000750056.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000750056.mol 000750056.PUBCHEM 000750056.mol (via Jmol)
000750061.b3lyp_6-31g(d).inp

000750061.b3lyp_6-31g(d).qchem.inp (generated)

000750061.b3lyp_6-31g(d).gjf (generated)

000750061.b3lyp_6-31g(d).firefly.inp (generated)

000750061.b3lyp_6-31g(d).smash.inp (generated)

000750061.b3lyp_6-31g(d).nwchem.inp (generated) 000750061.b3lyp_6-31g(d).log.xz 000750061.td-b3lyp_6-31g+(d).inp 000750061.td-b3lyp_6-31g+(d).log.xz

000750061.td-b3lyp_6-31+g(d).qchem.inp (generated)

000750061.td-b3lyp_6-31+g(d).gjf (generated)

000750061.td-b3lyp_6-31+g(d).firefly.inp (generated)

000750061.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000750061.mol 000750061.PUBCHEM 000750061.mol (via Jmol)
000750064.b3lyp_6-31g(d).inp

000750064.b3lyp_6-31g(d).qchem.inp (generated)

000750064.b3lyp_6-31g(d).gjf (generated)

000750064.b3lyp_6-31g(d).firefly.inp (generated)

000750064.b3lyp_6-31g(d).smash.inp (generated)

000750064.b3lyp_6-31g(d).nwchem.inp (generated) 000750064.b3lyp_6-31g(d).log.xz 000750064.mol 000750064.PUBCHEM 000750064.mol (via Jmol)
000750066.b3lyp_6-31g(d).inp

000750066.b3lyp_6-31g(d).qchem.inp (generated)

000750066.b3lyp_6-31g(d).gjf (generated)

000750066.b3lyp_6-31g(d).firefly.inp (generated)

000750066.b3lyp_6-31g(d).smash.inp (generated)

000750066.b3lyp_6-31g(d).nwchem.inp (generated) 000750066.b3lyp_6-31g(d).log.xz 000750066.mol 000750066.PUBCHEM 000750066.mol (via Jmol)
000750068.b3lyp_6-31g(d).inp

000750068.b3lyp_6-31g(d).qchem.inp (generated)

000750068.b3lyp_6-31g(d).gjf (generated)

000750068.b3lyp_6-31g(d).firefly.inp (generated)

000750068.b3lyp_6-31g(d).smash.inp (generated)

000750068.b3lyp_6-31g(d).nwchem.inp (generated) 000750068.b3lyp_6-31g(d).log.xz 000750068.td-b3lyp_6-31g+(d).inp 000750068.td-b3lyp_6-31g+(d).log.xz

000750068.td-b3lyp_6-31+g(d).qchem.inp (generated)

000750068.td-b3lyp_6-31+g(d).gjf (generated)

000750068.td-b3lyp_6-31+g(d).firefly.inp (generated)

000750068.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000750068.mol 000750068.PUBCHEM 000750068.mol (via Jmol)
000750098.b3lyp_6-31g(d).inp

000750098.b3lyp_6-31g(d).qchem.inp (generated)

000750098.b3lyp_6-31g(d).gjf (generated)

000750098.b3lyp_6-31g(d).firefly.inp (generated)

000750098.b3lyp_6-31g(d).smash.inp (generated)

000750098.b3lyp_6-31g(d).nwchem.inp (generated) 000750098.b3lyp_6-31g(d).log.xz 000750098.td-b3lyp_6-31g+(d).inp 000750098.td-b3lyp_6-31g+(d).log.xz

000750098.td-b3lyp_6-31+g(d).qchem.inp (generated)

000750098.td-b3lyp_6-31+g(d).gjf (generated)

000750098.td-b3lyp_6-31+g(d).firefly.inp (generated)

000750098.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000750098.mol 000750098.PUBCHEM 000750098.mol (via Jmol)
000750123.b3lyp_6-31g(d).inp

000750123.b3lyp_6-31g(d).qchem.inp (generated)

000750123.b3lyp_6-31g(d).gjf (generated)

000750123.b3lyp_6-31g(d).firefly.inp (generated)

000750123.b3lyp_6-31g(d).smash.inp (generated)

000750123.b3lyp_6-31g(d).nwchem.inp (generated) 000750123.b3lyp_6-31g(d).log.xz 000750123.td-b3lyp_6-31g+(d).inp 000750123.td-b3lyp_6-31g+(d).log.xz

000750123.td-b3lyp_6-31+g(d).qchem.inp (generated)

000750123.td-b3lyp_6-31+g(d).gjf (generated)

000750123.td-b3lyp_6-31+g(d).firefly.inp (generated)

000750123.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000750123.mol 000750123.PUBCHEM 000750123.mol (via Jmol)
000750145.b3lyp_6-31g(d).inp

000750145.b3lyp_6-31g(d).qchem.inp (generated)

000750145.b3lyp_6-31g(d).gjf (generated)

000750145.b3lyp_6-31g(d).firefly.inp (generated)

000750145.b3lyp_6-31g(d).smash.inp (generated)

000750145.b3lyp_6-31g(d).nwchem.inp (generated) 000750145.b3lyp_6-31g(d).log.xz 000750145.mol 000750145.PUBCHEM 000750145.mol (via Jmol)
000750147.b3lyp_6-31g(d).inp

000750147.b3lyp_6-31g(d).qchem.inp (generated)

000750147.b3lyp_6-31g(d).gjf (generated)

000750147.b3lyp_6-31g(d).firefly.inp (generated)

000750147.b3lyp_6-31g(d).smash.inp (generated)

000750147.b3lyp_6-31g(d).nwchem.inp (generated) 000750147.b3lyp_6-31g(d).log.xz 000750147.td-b3lyp_6-31g+(d).inp 000750147.td-b3lyp_6-31g+(d).log.xz

000750147.td-b3lyp_6-31+g(d).qchem.inp (generated)

000750147.td-b3lyp_6-31+g(d).gjf (generated)

000750147.td-b3lyp_6-31+g(d).firefly.inp (generated)

000750147.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000750147.mol 000750147.PUBCHEM 000750147.mol (via Jmol)
000750150.b3lyp_6-31g(d).inp

000750150.b3lyp_6-31g(d).qchem.inp (generated)

000750150.b3lyp_6-31g(d).gjf (generated)

000750150.b3lyp_6-31g(d).firefly.inp (generated)

000750150.b3lyp_6-31g(d).smash.inp (generated)

000750150.b3lyp_6-31g(d).nwchem.inp (generated) 000750150.b3lyp_6-31g(d).log.xz 000750150.td-b3lyp_6-31g+(d).inp 000750150.td-b3lyp_6-31g+(d).log.xz

000750150.td-b3lyp_6-31+g(d).qchem.inp (generated)

000750150.td-b3lyp_6-31+g(d).gjf (generated)

000750150.td-b3lyp_6-31+g(d).firefly.inp (generated)

000750150.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000750150.mol 000750150.PUBCHEM 000750150.mol (via Jmol)
000750152.b3lyp_6-31g(d).inp

000750152.b3lyp_6-31g(d).qchem.inp (generated)

000750152.b3lyp_6-31g(d).gjf (generated)

000750152.b3lyp_6-31g(d).firefly.inp (generated)

000750152.b3lyp_6-31g(d).smash.inp (generated)

000750152.b3lyp_6-31g(d).nwchem.inp (generated) 000750152.b3lyp_6-31g(d).log.xz 000750152.td-b3lyp_6-31g+(d).inp 000750152.td-b3lyp_6-31g+(d).log.xz

000750152.td-b3lyp_6-31+g(d).qchem.inp (generated)

000750152.td-b3lyp_6-31+g(d).gjf (generated)

000750152.td-b3lyp_6-31+g(d).firefly.inp (generated)

000750152.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000750152.mol 000750152.PUBCHEM 000750152.mol (via Jmol)
000750161.b3lyp_6-31g(d).inp

000750161.b3lyp_6-31g(d).qchem.inp (generated)

000750161.b3lyp_6-31g(d).gjf (generated)

000750161.b3lyp_6-31g(d).firefly.inp (generated)

000750161.b3lyp_6-31g(d).smash.inp (generated)

000750161.b3lyp_6-31g(d).nwchem.inp (generated) 000750161.b3lyp_6-31g(d).log.xz 000750161.mol 000750161.PUBCHEM 000750161.mol (via Jmol)
000750164.b3lyp_6-31g(d).inp

000750164.b3lyp_6-31g(d).qchem.inp (generated)

000750164.b3lyp_6-31g(d).gjf (generated)

000750164.b3lyp_6-31g(d).firefly.inp (generated)

000750164.b3lyp_6-31g(d).smash.inp (generated)

000750164.b3lyp_6-31g(d).nwchem.inp (generated) 000750164.b3lyp_6-31g(d).log.xz 000750164.mol 000750164.PUBCHEM 000750164.mol (via Jmol)
000750180.b3lyp_6-31g(d).inp

000750180.b3lyp_6-31g(d).qchem.inp (generated)

000750180.b3lyp_6-31g(d).gjf (generated)

000750180.b3lyp_6-31g(d).firefly.inp (generated)

000750180.b3lyp_6-31g(d).smash.inp (generated)

000750180.b3lyp_6-31g(d).nwchem.inp (generated) 000750180.b3lyp_6-31g(d).log.xz 000750180.td-b3lyp_6-31g+(d).inp 000750180.td-b3lyp_6-31g+(d).log.xz

000750180.td-b3lyp_6-31+g(d).qchem.inp (generated)

000750180.td-b3lyp_6-31+g(d).gjf (generated)

000750180.td-b3lyp_6-31+g(d).firefly.inp (generated)

000750180.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000750180.mol 000750180.PUBCHEM 000750180.mol (via Jmol)
000750217.b3lyp_6-31g(d).inp

000750217.b3lyp_6-31g(d).qchem.inp (generated)

000750217.b3lyp_6-31g(d).gjf (generated)

000750217.b3lyp_6-31g(d).firefly.inp (generated)

000750217.b3lyp_6-31g(d).smash.inp (generated)

000750217.b3lyp_6-31g(d).nwchem.inp (generated) 000750217.b3lyp_6-31g(d).log.xz 000750217.td-b3lyp_6-31g+(d).inp 000750217.td-b3lyp_6-31g+(d).log.xz

000750217.td-b3lyp_6-31+g(d).qchem.inp (generated)

000750217.td-b3lyp_6-31+g(d).gjf (generated)

000750217.td-b3lyp_6-31+g(d).firefly.inp (generated)

000750217.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000750217.mol 000750217.PUBCHEM 000750217.mol (via Jmol)
000750220.b3lyp_6-31g(d).inp

000750220.b3lyp_6-31g(d).qchem.inp (generated)

000750220.b3lyp_6-31g(d).gjf (generated)

000750220.b3lyp_6-31g(d).firefly.inp (generated)

000750220.b3lyp_6-31g(d).smash.inp (generated)

000750220.b3lyp_6-31g(d).nwchem.inp (generated) 000750220.b3lyp_6-31g(d).log.xz 000750220.td-b3lyp_6-31g+(d).inp 000750220.td-b3lyp_6-31g+(d).log.xz

000750220.td-b3lyp_6-31+g(d).qchem.inp (generated)

000750220.td-b3lyp_6-31+g(d).gjf (generated)

000750220.td-b3lyp_6-31+g(d).firefly.inp (generated)

000750220.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000750220.mol 000750220.PUBCHEM 000750220.mol (via Jmol)
000750221.b3lyp_6-31g(d).inp

000750221.b3lyp_6-31g(d).qchem.inp (generated)

000750221.b3lyp_6-31g(d).gjf (generated)

000750221.b3lyp_6-31g(d).firefly.inp (generated)

000750221.b3lyp_6-31g(d).smash.inp (generated)

000750221.b3lyp_6-31g(d).nwchem.inp (generated) 000750221.b3lyp_6-31g(d).log.xz 000750221.td-b3lyp_6-31g+(d).inp 000750221.td-b3lyp_6-31g+(d).log.xz

000750221.td-b3lyp_6-31+g(d).qchem.inp (generated)

000750221.td-b3lyp_6-31+g(d).gjf (generated)

000750221.td-b3lyp_6-31+g(d).firefly.inp (generated)

000750221.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000750221.mol 000750221.PUBCHEM 000750221.mol (via Jmol)
000750232.b3lyp_6-31g(d).inp

000750232.b3lyp_6-31g(d).qchem.inp (generated)

000750232.b3lyp_6-31g(d).gjf (generated)

000750232.b3lyp_6-31g(d).firefly.inp (generated)

000750232.b3lyp_6-31g(d).smash.inp (generated)

000750232.b3lyp_6-31g(d).nwchem.inp (generated) 000750232.b3lyp_6-31g(d).log.xz 000750232.td-b3lyp_6-31g+(d).inp 000750232.td-b3lyp_6-31g+(d).log.xz

000750232.td-b3lyp_6-31+g(d).qchem.inp (generated)

000750232.td-b3lyp_6-31+g(d).gjf (generated)

000750232.td-b3lyp_6-31+g(d).firefly.inp (generated)

000750232.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000750232.mol 000750232.PUBCHEM 000750232.mol (via Jmol)
000750233.b3lyp_6-31g(d).inp

000750233.b3lyp_6-31g(d).qchem.inp (generated)

000750233.b3lyp_6-31g(d).gjf (generated)

000750233.b3lyp_6-31g(d).firefly.inp (generated)

000750233.b3lyp_6-31g(d).smash.inp (generated)

000750233.b3lyp_6-31g(d).nwchem.inp (generated) 000750233.b3lyp_6-31g(d).log.xz 000750233.mol 000750233.PUBCHEM 000750233.mol (via Jmol)
000750250.b3lyp_6-31g(d).inp

000750250.b3lyp_6-31g(d).qchem.inp (generated)

000750250.b3lyp_6-31g(d).gjf (generated)

000750250.b3lyp_6-31g(d).firefly.inp (generated)

000750250.b3lyp_6-31g(d).smash.inp (generated)

000750250.b3lyp_6-31g(d).nwchem.inp (generated) 000750250.b3lyp_6-31g(d).log.xz 000750250.td-b3lyp_6-31g+(d).inp 000750250.td-b3lyp_6-31g+(d).log.xz

000750250.td-b3lyp_6-31+g(d).qchem.inp (generated)

000750250.td-b3lyp_6-31+g(d).gjf (generated)

000750250.td-b3lyp_6-31+g(d).firefly.inp (generated)

000750250.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000750250.mol 000750250.PUBCHEM 000750250.mol (via Jmol)
000750251.b3lyp_6-31g(d).inp

000750251.b3lyp_6-31g(d).qchem.inp (generated)

000750251.b3lyp_6-31g(d).gjf (generated)

000750251.b3lyp_6-31g(d).firefly.inp (generated)

000750251.b3lyp_6-31g(d).smash.inp (generated)

000750251.b3lyp_6-31g(d).nwchem.inp (generated) 000750251.b3lyp_6-31g(d).log.xz 000750251.td-b3lyp_6-31g+(d).inp 000750251.td-b3lyp_6-31g+(d).log.xz

000750251.td-b3lyp_6-31+g(d).qchem.inp (generated)

000750251.td-b3lyp_6-31+g(d).gjf (generated)

000750251.td-b3lyp_6-31+g(d).firefly.inp (generated)

000750251.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000750251.mol 000750251.PUBCHEM 000750251.mol (via Jmol)
000750262.b3lyp_6-31g(d).inp

000750262.b3lyp_6-31g(d).qchem.inp (generated)

000750262.b3lyp_6-31g(d).gjf (generated)

000750262.b3lyp_6-31g(d).firefly.inp (generated)

000750262.b3lyp_6-31g(d).smash.inp (generated)

000750262.b3lyp_6-31g(d).nwchem.inp (generated) 000750262.b3lyp_6-31g(d).log.xz 000750262.td-b3lyp_6-31g+(d).inp 000750262.td-b3lyp_6-31g+(d).log.xz

000750262.td-b3lyp_6-31+g(d).qchem.inp (generated)

000750262.td-b3lyp_6-31+g(d).gjf (generated)

000750262.td-b3lyp_6-31+g(d).firefly.inp (generated)

000750262.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000750262.mol 000750262.PUBCHEM 000750262.mol (via Jmol)
000750288.b3lyp_6-31g(d).inp

000750288.b3lyp_6-31g(d).qchem.inp (generated)

000750288.b3lyp_6-31g(d).gjf (generated)

000750288.b3lyp_6-31g(d).firefly.inp (generated)

000750288.b3lyp_6-31g(d).smash.inp (generated)

000750288.b3lyp_6-31g(d).nwchem.inp (generated) 000750288.b3lyp_6-31g(d).log.xz 000750288.td-b3lyp_6-31g+(d).inp 000750288.td-b3lyp_6-31g+(d).log.xz

000750288.td-b3lyp_6-31+g(d).qchem.inp (generated)

000750288.td-b3lyp_6-31+g(d).gjf (generated)

000750288.td-b3lyp_6-31+g(d).firefly.inp (generated)

000750288.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000750288.mol 000750288.PUBCHEM 000750288.mol (via Jmol)
000750289.b3lyp_6-31g(d).inp

000750289.b3lyp_6-31g(d).qchem.inp (generated)

000750289.b3lyp_6-31g(d).gjf (generated)

000750289.b3lyp_6-31g(d).firefly.inp (generated)

000750289.b3lyp_6-31g(d).smash.inp (generated)

000750289.b3lyp_6-31g(d).nwchem.inp (generated) 000750289.b3lyp_6-31g(d).log.xz 000750289.td-b3lyp_6-31g+(d).inp 000750289.td-b3lyp_6-31g+(d).log.xz

000750289.td-b3lyp_6-31+g(d).qchem.inp (generated)

000750289.td-b3lyp_6-31+g(d).gjf (generated)

000750289.td-b3lyp_6-31+g(d).firefly.inp (generated)

000750289.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000750289.mol 000750289.PUBCHEM 000750289.mol (via Jmol)
000750290.b3lyp_6-31g(d).inp

000750290.b3lyp_6-31g(d).qchem.inp (generated)

000750290.b3lyp_6-31g(d).gjf (generated)

000750290.b3lyp_6-31g(d).firefly.inp (generated)

000750290.b3lyp_6-31g(d).smash.inp (generated)

000750290.b3lyp_6-31g(d).nwchem.inp (generated) 000750290.b3lyp_6-31g(d).log.xz 000750290.td-b3lyp_6-31g+(d).inp 000750290.td-b3lyp_6-31g+(d).log.xz

000750290.td-b3lyp_6-31+g(d).qchem.inp (generated)

000750290.td-b3lyp_6-31+g(d).gjf (generated)

000750290.td-b3lyp_6-31+g(d).firefly.inp (generated)

000750290.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000750290.mol 000750290.PUBCHEM 000750290.mol (via Jmol)
000750294.b3lyp_6-31g(d).inp

000750294.b3lyp_6-31g(d).qchem.inp (generated)

000750294.b3lyp_6-31g(d).gjf (generated)

000750294.b3lyp_6-31g(d).firefly.inp (generated)

000750294.b3lyp_6-31g(d).smash.inp (generated)

000750294.b3lyp_6-31g(d).nwchem.inp (generated) 000750294.b3lyp_6-31g(d).log.xz 000750294.td-b3lyp_6-31g+(d).inp 000750294.td-b3lyp_6-31g+(d).log.xz

000750294.td-b3lyp_6-31+g(d).qchem.inp (generated)

000750294.td-b3lyp_6-31+g(d).gjf (generated)

000750294.td-b3lyp_6-31+g(d).firefly.inp (generated)

000750294.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000750294.mol 000750294.PUBCHEM 000750294.mol (via Jmol)
000750304.b3lyp_6-31g(d).inp

000750304.b3lyp_6-31g(d).qchem.inp (generated)

000750304.b3lyp_6-31g(d).gjf (generated)

000750304.b3lyp_6-31g(d).firefly.inp (generated)

000750304.b3lyp_6-31g(d).smash.inp (generated)

000750304.b3lyp_6-31g(d).nwchem.inp (generated) 000750304.b3lyp_6-31g(d).log.xz 000750304.td-b3lyp_6-31g+(d).inp 000750304.td-b3lyp_6-31g+(d).log.xz

000750304.td-b3lyp_6-31+g(d).qchem.inp (generated)

000750304.td-b3lyp_6-31+g(d).gjf (generated)

000750304.td-b3lyp_6-31+g(d).firefly.inp (generated)

000750304.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000750304.mol 000750304.PUBCHEM 000750304.mol (via Jmol)
000750306.b3lyp_6-31g(d).inp

000750306.b3lyp_6-31g(d).qchem.inp (generated)

000750306.b3lyp_6-31g(d).gjf (generated)

000750306.b3lyp_6-31g(d).firefly.inp (generated)

000750306.b3lyp_6-31g(d).smash.inp (generated)

000750306.b3lyp_6-31g(d).nwchem.inp (generated) 000750306.b3lyp_6-31g(d).log.xz 000750306.td-b3lyp_6-31g+(d).inp 000750306.td-b3lyp_6-31g+(d).log.xz

000750306.td-b3lyp_6-31+g(d).qchem.inp (generated)

000750306.td-b3lyp_6-31+g(d).gjf (generated)

000750306.td-b3lyp_6-31+g(d).firefly.inp (generated)

000750306.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000750306.mol 000750306.PUBCHEM 000750306.mol (via Jmol)
000750308.b3lyp_6-31g(d).inp

000750308.b3lyp_6-31g(d).qchem.inp (generated)

000750308.b3lyp_6-31g(d).gjf (generated)

000750308.b3lyp_6-31g(d).firefly.inp (generated)

000750308.b3lyp_6-31g(d).smash.inp (generated)

000750308.b3lyp_6-31g(d).nwchem.inp (generated) 000750308.b3lyp_6-31g(d).log.xz 000750308.td-b3lyp_6-31g+(d).inp 000750308.td-b3lyp_6-31g+(d).log.xz

000750308.td-b3lyp_6-31+g(d).qchem.inp (generated)

000750308.td-b3lyp_6-31+g(d).gjf (generated)

000750308.td-b3lyp_6-31+g(d).firefly.inp (generated)

000750308.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000750308.mol 000750308.PUBCHEM 000750308.mol (via Jmol)
000750327.b3lyp_6-31g(d).inp

000750327.b3lyp_6-31g(d).qchem.inp (generated)

000750327.b3lyp_6-31g(d).gjf (generated)

000750327.b3lyp_6-31g(d).firefly.inp (generated)

000750327.b3lyp_6-31g(d).smash.inp (generated)

000750327.b3lyp_6-31g(d).nwchem.inp (generated) 000750327.b3lyp_6-31g(d).log.xz 000750327.td-b3lyp_6-31g+(d).inp 000750327.td-b3lyp_6-31g+(d).log.xz

000750327.td-b3lyp_6-31+g(d).qchem.inp (generated)

000750327.td-b3lyp_6-31+g(d).gjf (generated)

000750327.td-b3lyp_6-31+g(d).firefly.inp (generated)

000750327.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000750327.mol 000750327.PUBCHEM 000750327.mol (via Jmol)
000750329.b3lyp_6-31g(d).inp

000750329.b3lyp_6-31g(d).qchem.inp (generated)

000750329.b3lyp_6-31g(d).gjf (generated)

000750329.b3lyp_6-31g(d).firefly.inp (generated)

000750329.b3lyp_6-31g(d).smash.inp (generated)

000750329.b3lyp_6-31g(d).nwchem.inp (generated) 000750329.b3lyp_6-31g(d).log.xz 000750329.td-b3lyp_6-31g+(d).inp 000750329.td-b3lyp_6-31g+(d).log.xz

000750329.td-b3lyp_6-31+g(d).qchem.inp (generated)

000750329.td-b3lyp_6-31+g(d).gjf (generated)

000750329.td-b3lyp_6-31+g(d).firefly.inp (generated)

000750329.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000750329.mol 000750329.PUBCHEM 000750329.mol (via Jmol)
000750330.b3lyp_6-31g(d).inp

000750330.b3lyp_6-31g(d).qchem.inp (generated)

000750330.b3lyp_6-31g(d).gjf (generated)

000750330.b3lyp_6-31g(d).firefly.inp (generated)

000750330.b3lyp_6-31g(d).smash.inp (generated)

000750330.b3lyp_6-31g(d).nwchem.inp (generated) 000750330.b3lyp_6-31g(d).log.xz 000750330.td-b3lyp_6-31g+(d).inp 000750330.td-b3lyp_6-31g+(d).log.xz

000750330.td-b3lyp_6-31+g(d).qchem.inp (generated)

000750330.td-b3lyp_6-31+g(d).gjf (generated)

000750330.td-b3lyp_6-31+g(d).firefly.inp (generated)

000750330.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000750330.mol 000750330.PUBCHEM 000750330.mol (via Jmol)
000750344.b3lyp_6-31g(d).inp

000750344.b3lyp_6-31g(d).qchem.inp (generated)

000750344.b3lyp_6-31g(d).gjf (generated)

000750344.b3lyp_6-31g(d).firefly.inp (generated)

000750344.b3lyp_6-31g(d).smash.inp (generated)

000750344.b3lyp_6-31g(d).nwchem.inp (generated) 000750344.b3lyp_6-31g(d).log.xz 000750344.td-b3lyp_6-31g+(d).inp 000750344.td-b3lyp_6-31g+(d).log.xz

000750344.td-b3lyp_6-31+g(d).qchem.inp (generated)

000750344.td-b3lyp_6-31+g(d).gjf (generated)

000750344.td-b3lyp_6-31+g(d).firefly.inp (generated)

000750344.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000750344.mol 000750344.PUBCHEM 000750344.mol (via Jmol)
000750346.b3lyp_6-31g(d).inp

000750346.b3lyp_6-31g(d).qchem.inp (generated)

000750346.b3lyp_6-31g(d).gjf (generated)

000750346.b3lyp_6-31g(d).firefly.inp (generated)

000750346.b3lyp_6-31g(d).smash.inp (generated)

000750346.b3lyp_6-31g(d).nwchem.inp (generated) 000750346.b3lyp_6-31g(d).log.xz 000750346.td-b3lyp_6-31g+(d).inp 000750346.td-b3lyp_6-31g+(d).log.xz

000750346.td-b3lyp_6-31+g(d).qchem.inp (generated)

000750346.td-b3lyp_6-31+g(d).gjf (generated)

000750346.td-b3lyp_6-31+g(d).firefly.inp (generated)

000750346.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000750346.mol 000750346.PUBCHEM 000750346.mol (via Jmol)
000750349.b3lyp_6-31g(d).inp

000750349.b3lyp_6-31g(d).qchem.inp (generated)

000750349.b3lyp_6-31g(d).gjf (generated)

000750349.b3lyp_6-31g(d).firefly.inp (generated)

000750349.b3lyp_6-31g(d).smash.inp (generated)

000750349.b3lyp_6-31g(d).nwchem.inp (generated) 000750349.b3lyp_6-31g(d).log.xz 000750349.td-b3lyp_6-31g+(d).inp 000750349.td-b3lyp_6-31g+(d).log.xz

000750349.td-b3lyp_6-31+g(d).qchem.inp (generated)

000750349.td-b3lyp_6-31+g(d).gjf (generated)

000750349.td-b3lyp_6-31+g(d).firefly.inp (generated)

000750349.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000750349.mol 000750349.PUBCHEM 000750349.mol (via Jmol)
000750354.b3lyp_6-31g(d).inp

000750354.b3lyp_6-31g(d).qchem.inp (generated)

000750354.b3lyp_6-31g(d).gjf (generated)

000750354.b3lyp_6-31g(d).firefly.inp (generated)

000750354.b3lyp_6-31g(d).smash.inp (generated)

000750354.b3lyp_6-31g(d).nwchem.inp (generated) 000750354.b3lyp_6-31g(d).log.xz 000750354.td-b3lyp_6-31g+(d).inp 000750354.td-b3lyp_6-31g+(d).log.xz

000750354.td-b3lyp_6-31+g(d).qchem.inp (generated)

000750354.td-b3lyp_6-31+g(d).gjf (generated)

000750354.td-b3lyp_6-31+g(d).firefly.inp (generated)

000750354.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000750354.mol 000750354.PUBCHEM 000750354.mol (via Jmol)
000750361.b3lyp_6-31g(d).inp

000750361.b3lyp_6-31g(d).qchem.inp (generated)

000750361.b3lyp_6-31g(d).gjf (generated)

000750361.b3lyp_6-31g(d).firefly.inp (generated)

000750361.b3lyp_6-31g(d).smash.inp (generated)

000750361.b3lyp_6-31g(d).nwchem.inp (generated) 000750361.b3lyp_6-31g(d).log.xz 000750361.td-b3lyp_6-31g+(d).inp 000750361.td-b3lyp_6-31g+(d).log.xz

000750361.td-b3lyp_6-31+g(d).qchem.inp (generated)

000750361.td-b3lyp_6-31+g(d).gjf (generated)

000750361.td-b3lyp_6-31+g(d).firefly.inp (generated)

000750361.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000750361.mol 000750361.PUBCHEM 000750361.mol (via Jmol)
000750369.b3lyp_6-31g(d).inp

000750369.b3lyp_6-31g(d).qchem.inp (generated)

000750369.b3lyp_6-31g(d).gjf (generated)

000750369.b3lyp_6-31g(d).firefly.inp (generated)

000750369.b3lyp_6-31g(d).smash.inp (generated)

000750369.b3lyp_6-31g(d).nwchem.inp (generated) 000750369.b3lyp_6-31g(d).log.xz 000750369.td-b3lyp_6-31g+(d).inp 000750369.td-b3lyp_6-31g+(d).log.xz

000750369.td-b3lyp_6-31+g(d).qchem.inp (generated)

000750369.td-b3lyp_6-31+g(d).gjf (generated)

000750369.td-b3lyp_6-31+g(d).firefly.inp (generated)

000750369.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000750369.mol 000750369.PUBCHEM 000750369.mol (via Jmol)
000750412.b3lyp_6-31g(d).inp

000750412.b3lyp_6-31g(d).qchem.inp (generated)

000750412.b3lyp_6-31g(d).gjf (generated)

000750412.b3lyp_6-31g(d).firefly.inp (generated)

000750412.b3lyp_6-31g(d).smash.inp (generated)

000750412.b3lyp_6-31g(d).nwchem.inp (generated) 000750412.b3lyp_6-31g(d).log.xz 000750412.td-b3lyp_6-31g+(d).inp 000750412.td-b3lyp_6-31g+(d).log.xz

000750412.td-b3lyp_6-31+g(d).qchem.inp (generated)

000750412.td-b3lyp_6-31+g(d).gjf (generated)

000750412.td-b3lyp_6-31+g(d).firefly.inp (generated)

000750412.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000750412.mol 000750412.PUBCHEM 000750412.mol (via Jmol)
000750464.b3lyp_6-31g(d).inp

000750464.b3lyp_6-31g(d).qchem.inp (generated)

000750464.b3lyp_6-31g(d).gjf (generated)

000750464.b3lyp_6-31g(d).firefly.inp (generated)

000750464.b3lyp_6-31g(d).smash.inp (generated)

000750464.b3lyp_6-31g(d).nwchem.inp (generated) 000750464.b3lyp_6-31g(d).log.xz 000750464.td-b3lyp_6-31g+(d).inp 000750464.td-b3lyp_6-31g+(d).log.xz

000750464.td-b3lyp_6-31+g(d).qchem.inp (generated)

000750464.td-b3lyp_6-31+g(d).gjf (generated)

000750464.td-b3lyp_6-31+g(d).firefly.inp (generated)

000750464.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000750464.mol 000750464.PUBCHEM 000750464.mol (via Jmol)
000750523.b3lyp_6-31g(d).inp

000750523.b3lyp_6-31g(d).qchem.inp (generated)

000750523.b3lyp_6-31g(d).gjf (generated)

000750523.b3lyp_6-31g(d).firefly.inp (generated)

000750523.b3lyp_6-31g(d).smash.inp (generated)

000750523.b3lyp_6-31g(d).nwchem.inp (generated) 000750523.b3lyp_6-31g(d).log.xz 000750523.mol 000750523.PUBCHEM 000750523.mol (via Jmol)
000750538.b3lyp_6-31g(d).inp

000750538.b3lyp_6-31g(d).qchem.inp (generated)

000750538.b3lyp_6-31g(d).gjf (generated)

000750538.b3lyp_6-31g(d).firefly.inp (generated)

000750538.b3lyp_6-31g(d).smash.inp (generated)

000750538.b3lyp_6-31g(d).nwchem.inp (generated) 000750538.b3lyp_6-31g(d).log.xz 000750538.td-b3lyp_6-31g+(d).inp 000750538.td-b3lyp_6-31g+(d).log.xz

000750538.td-b3lyp_6-31+g(d).qchem.inp (generated)

000750538.td-b3lyp_6-31+g(d).gjf (generated)

000750538.td-b3lyp_6-31+g(d).firefly.inp (generated)

000750538.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000750538.mol 000750538.PUBCHEM 000750538.mol (via Jmol)
000750539.b3lyp_6-31g(d).inp

000750539.b3lyp_6-31g(d).qchem.inp (generated)

000750539.b3lyp_6-31g(d).gjf (generated)

000750539.b3lyp_6-31g(d).firefly.inp (generated)

000750539.b3lyp_6-31g(d).smash.inp (generated)

000750539.b3lyp_6-31g(d).nwchem.inp (generated) 000750539.b3lyp_6-31g(d).log.xz 000750539.mol 000750539.PUBCHEM 000750539.mol (via Jmol)
000750540.b3lyp_6-31g(d).inp

000750540.b3lyp_6-31g(d).qchem.inp (generated)

000750540.b3lyp_6-31g(d).gjf (generated)

000750540.b3lyp_6-31g(d).firefly.inp (generated)

000750540.b3lyp_6-31g(d).smash.inp (generated)

000750540.b3lyp_6-31g(d).nwchem.inp (generated) 000750540.b3lyp_6-31g(d).log.xz 000750540.td-b3lyp_6-31g+(d).inp 000750540.td-b3lyp_6-31g+(d).log.xz

000750540.td-b3lyp_6-31+g(d).qchem.inp (generated)

000750540.td-b3lyp_6-31+g(d).gjf (generated)

000750540.td-b3lyp_6-31+g(d).firefly.inp (generated)

000750540.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000750540.mol 000750540.PUBCHEM 000750540.mol (via Jmol)
000750543.b3lyp_6-31g(d).inp

000750543.b3lyp_6-31g(d).qchem.inp (generated)

000750543.b3lyp_6-31g(d).gjf (generated)

000750543.b3lyp_6-31g(d).firefly.inp (generated)

000750543.b3lyp_6-31g(d).smash.inp (generated)

000750543.b3lyp_6-31g(d).nwchem.inp (generated) 000750543.b3lyp_6-31g(d).log.xz 000750543.mol 000750543.PUBCHEM 000750543.mol (via Jmol)
000750570.b3lyp_6-31g(d).inp

000750570.b3lyp_6-31g(d).qchem.inp (generated)

000750570.b3lyp_6-31g(d).gjf (generated)

000750570.b3lyp_6-31g(d).firefly.inp (generated)

000750570.b3lyp_6-31g(d).smash.inp (generated)

000750570.b3lyp_6-31g(d).nwchem.inp (generated) 000750570.b3lyp_6-31g(d).log.xz 000750570.td-b3lyp_6-31g+(d).inp 000750570.td-b3lyp_6-31g+(d).log.xz

000750570.td-b3lyp_6-31+g(d).qchem.inp (generated)

000750570.td-b3lyp_6-31+g(d).gjf (generated)

000750570.td-b3lyp_6-31+g(d).firefly.inp (generated)

000750570.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000750570.mol 000750570.PUBCHEM 000750570.mol (via Jmol)
000750601.b3lyp_6-31g(d).inp

000750601.b3lyp_6-31g(d).qchem.inp (generated)

000750601.b3lyp_6-31g(d).gjf (generated)

000750601.b3lyp_6-31g(d).firefly.inp (generated)

000750601.b3lyp_6-31g(d).smash.inp (generated)

000750601.b3lyp_6-31g(d).nwchem.inp (generated) 000750601.b3lyp_6-31g(d).log.xz 000750601.td-b3lyp_6-31g+(d).inp 000750601.td-b3lyp_6-31g+(d).log.xz

000750601.td-b3lyp_6-31+g(d).qchem.inp (generated)

000750601.td-b3lyp_6-31+g(d).gjf (generated)

000750601.td-b3lyp_6-31+g(d).firefly.inp (generated)

000750601.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000750601.mol 000750601.PUBCHEM 000750601.mol (via Jmol)
000750603.b3lyp_6-31g(d).inp

000750603.b3lyp_6-31g(d).qchem.inp (generated)

000750603.b3lyp_6-31g(d).gjf (generated)

000750603.b3lyp_6-31g(d).firefly.inp (generated)

000750603.b3lyp_6-31g(d).smash.inp (generated)

000750603.b3lyp_6-31g(d).nwchem.inp (generated) 000750603.b3lyp_6-31g(d).log.xz 000750603.td-b3lyp_6-31g+(d).inp 000750603.td-b3lyp_6-31g+(d).log.xz

000750603.td-b3lyp_6-31+g(d).qchem.inp (generated)

000750603.td-b3lyp_6-31+g(d).gjf (generated)

000750603.td-b3lyp_6-31+g(d).firefly.inp (generated)

000750603.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000750603.mol 000750603.PUBCHEM 000750603.mol (via Jmol)
000750608.b3lyp_6-31g(d).inp

000750608.b3lyp_6-31g(d).qchem.inp (generated)

000750608.b3lyp_6-31g(d).gjf (generated)

000750608.b3lyp_6-31g(d).firefly.inp (generated)

000750608.b3lyp_6-31g(d).smash.inp (generated)

000750608.b3lyp_6-31g(d).nwchem.inp (generated) 000750608.b3lyp_6-31g(d).log.xz 000750608.mol 000750608.PUBCHEM 000750608.mol (via Jmol)
000750610.b3lyp_6-31g(d).inp

000750610.b3lyp_6-31g(d).qchem.inp (generated)

000750610.b3lyp_6-31g(d).gjf (generated)

000750610.b3lyp_6-31g(d).firefly.inp (generated)

000750610.b3lyp_6-31g(d).smash.inp (generated)

000750610.b3lyp_6-31g(d).nwchem.inp (generated) 000750610.b3lyp_6-31g(d).log.xz 000750610.mol 000750610.PUBCHEM 000750610.mol (via Jmol)
000750657.b3lyp_6-31g(d).inp

000750657.b3lyp_6-31g(d).qchem.inp (generated)

000750657.b3lyp_6-31g(d).gjf (generated)

000750657.b3lyp_6-31g(d).firefly.inp (generated)

000750657.b3lyp_6-31g(d).smash.inp (generated)

000750657.b3lyp_6-31g(d).nwchem.inp (generated) 000750657.b3lyp_6-31g(d).log.xz 000750657.td-b3lyp_6-31g+(d).inp 000750657.td-b3lyp_6-31g+(d).log.xz

000750657.td-b3lyp_6-31+g(d).qchem.inp (generated)

000750657.td-b3lyp_6-31+g(d).gjf (generated)

000750657.td-b3lyp_6-31+g(d).firefly.inp (generated)

000750657.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000750657.mol 000750657.PUBCHEM 000750657.mol (via Jmol)
000750660.b3lyp_6-31g(d).inp

000750660.b3lyp_6-31g(d).qchem.inp (generated)

000750660.b3lyp_6-31g(d).gjf (generated)

000750660.b3lyp_6-31g(d).firefly.inp (generated)

000750660.b3lyp_6-31g(d).smash.inp (generated)

000750660.b3lyp_6-31g(d).nwchem.inp (generated) 000750660.b3lyp_6-31g(d).log.xz 000750660.td-b3lyp_6-31g+(d).inp 000750660.td-b3lyp_6-31g+(d).log.xz

000750660.td-b3lyp_6-31+g(d).qchem.inp (generated)

000750660.td-b3lyp_6-31+g(d).gjf (generated)

000750660.td-b3lyp_6-31+g(d).firefly.inp (generated)

000750660.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000750660.mol 000750660.PUBCHEM 000750660.mol (via Jmol)
000750661.b3lyp_6-31g(d).inp

000750661.b3lyp_6-31g(d).qchem.inp (generated)

000750661.b3lyp_6-31g(d).gjf (generated)

000750661.b3lyp_6-31g(d).firefly.inp (generated)

000750661.b3lyp_6-31g(d).smash.inp (generated)

000750661.b3lyp_6-31g(d).nwchem.inp (generated) 000750661.b3lyp_6-31g(d).log.xz 000750661.td-b3lyp_6-31g+(d).inp 000750661.td-b3lyp_6-31g+(d).log.xz

000750661.td-b3lyp_6-31+g(d).qchem.inp (generated)

000750661.td-b3lyp_6-31+g(d).gjf (generated)

000750661.td-b3lyp_6-31+g(d).firefly.inp (generated)

000750661.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000750661.mol 000750661.PUBCHEM 000750661.mol (via Jmol)
000750686.b3lyp_6-31g(d).inp

000750686.b3lyp_6-31g(d).qchem.inp (generated)

000750686.b3lyp_6-31g(d).gjf (generated)

000750686.b3lyp_6-31g(d).firefly.inp (generated)

000750686.b3lyp_6-31g(d).smash.inp (generated)

000750686.b3lyp_6-31g(d).nwchem.inp (generated) 000750686.b3lyp_6-31g(d).log.xz 000750686.td-b3lyp_6-31g+(d).inp 000750686.td-b3lyp_6-31g+(d).log.xz

000750686.td-b3lyp_6-31+g(d).qchem.inp (generated)

000750686.td-b3lyp_6-31+g(d).gjf (generated)

000750686.td-b3lyp_6-31+g(d).firefly.inp (generated)

000750686.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000750686.mol 000750686.PUBCHEM 000750686.mol (via Jmol)
000750774.b3lyp_6-31g(d).inp

000750774.b3lyp_6-31g(d).qchem.inp (generated)

000750774.b3lyp_6-31g(d).gjf (generated)

000750774.b3lyp_6-31g(d).firefly.inp (generated)

000750774.b3lyp_6-31g(d).smash.inp (generated)

000750774.b3lyp_6-31g(d).nwchem.inp (generated) 000750774.b3lyp_6-31g(d).log.xz 000750774.td-b3lyp_6-31g+(d).inp 000750774.td-b3lyp_6-31g+(d).log.xz

000750774.td-b3lyp_6-31+g(d).qchem.inp (generated)

000750774.td-b3lyp_6-31+g(d).gjf (generated)

000750774.td-b3lyp_6-31+g(d).firefly.inp (generated)

000750774.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000750774.mol 000750774.PUBCHEM 000750774.mol (via Jmol)
000750841.b3lyp_6-31g(d).inp

000750841.b3lyp_6-31g(d).qchem.inp (generated)

000750841.b3lyp_6-31g(d).gjf (generated)

000750841.b3lyp_6-31g(d).firefly.inp (generated)

000750841.b3lyp_6-31g(d).smash.inp (generated)

000750841.b3lyp_6-31g(d).nwchem.inp (generated) 000750841.b3lyp_6-31g(d).log.xz 000750841.td-b3lyp_6-31g+(d).inp 000750841.td-b3lyp_6-31g+(d).log.xz

000750841.td-b3lyp_6-31+g(d).qchem.inp (generated)

000750841.td-b3lyp_6-31+g(d).gjf (generated)

000750841.td-b3lyp_6-31+g(d).firefly.inp (generated)

000750841.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000750841.mol 000750841.PUBCHEM 000750841.mol (via Jmol)
000750884.b3lyp_6-31g(d).inp

000750884.b3lyp_6-31g(d).qchem.inp (generated)

000750884.b3lyp_6-31g(d).gjf (generated)

000750884.b3lyp_6-31g(d).firefly.inp (generated)

000750884.b3lyp_6-31g(d).smash.inp (generated)

000750884.b3lyp_6-31g(d).nwchem.inp (generated) 000750884.b3lyp_6-31g(d).log.xz 000750884.td-b3lyp_6-31g+(d).inp 000750884.td-b3lyp_6-31g+(d).log.xz

000750884.td-b3lyp_6-31+g(d).qchem.inp (generated)

000750884.td-b3lyp_6-31+g(d).gjf (generated)

000750884.td-b3lyp_6-31+g(d).firefly.inp (generated)

000750884.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000750884.mol 000750884.PUBCHEM 000750884.mol (via Jmol)
000750937.b3lyp_6-31g(d).inp

000750937.b3lyp_6-31g(d).qchem.inp (generated)

000750937.b3lyp_6-31g(d).gjf (generated)

000750937.b3lyp_6-31g(d).firefly.inp (generated)

000750937.b3lyp_6-31g(d).smash.inp (generated)

000750937.b3lyp_6-31g(d).nwchem.inp (generated) 000750937.b3lyp_6-31g(d).log.xz 000750937.mol 000750937.PUBCHEM 000750937.mol (via Jmol)
000750977.b3lyp_6-31g(d).inp

000750977.b3lyp_6-31g(d).qchem.inp (generated)

000750977.b3lyp_6-31g(d).gjf (generated)

000750977.b3lyp_6-31g(d).firefly.inp (generated)

000750977.b3lyp_6-31g(d).smash.inp (generated)

000750977.b3lyp_6-31g(d).nwchem.inp (generated) 000750977.b3lyp_6-31g(d).log.xz 000750977.mol 000750977.PUBCHEM 000750977.mol (via Jmol)
000751014.b3lyp_6-31g(d).inp

000751014.b3lyp_6-31g(d).qchem.inp (generated)

000751014.b3lyp_6-31g(d).gjf (generated)

000751014.b3lyp_6-31g(d).firefly.inp (generated)

000751014.b3lyp_6-31g(d).smash.inp (generated)

000751014.b3lyp_6-31g(d).nwchem.inp (generated) 000751014.b3lyp_6-31g(d).log.xz 000751014.td-b3lyp_6-31g+(d).inp 000751014.td-b3lyp_6-31g+(d).log.xz

000751014.td-b3lyp_6-31+g(d).qchem.inp (generated)

000751014.td-b3lyp_6-31+g(d).gjf (generated)

000751014.td-b3lyp_6-31+g(d).firefly.inp (generated)

000751014.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000751014.mol 000751014.PUBCHEM 000751014.mol (via Jmol)
000751043.b3lyp_6-31g(d).inp

000751043.b3lyp_6-31g(d).qchem.inp (generated)

000751043.b3lyp_6-31g(d).gjf (generated)

000751043.b3lyp_6-31g(d).firefly.inp (generated)

000751043.b3lyp_6-31g(d).smash.inp (generated)

000751043.b3lyp_6-31g(d).nwchem.inp (generated) 000751043.b3lyp_6-31g(d).log.xz 000751043.td-b3lyp_6-31g+(d).inp 000751043.td-b3lyp_6-31g+(d).log.xz

000751043.td-b3lyp_6-31+g(d).qchem.inp (generated)

000751043.td-b3lyp_6-31+g(d).gjf (generated)

000751043.td-b3lyp_6-31+g(d).firefly.inp (generated)

000751043.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000751043.mol 000751043.PUBCHEM 000751043.mol (via Jmol)
000751061.b3lyp_6-31g(d).inp

000751061.b3lyp_6-31g(d).qchem.inp (generated)

000751061.b3lyp_6-31g(d).gjf (generated)

000751061.b3lyp_6-31g(d).firefly.inp (generated)

000751061.b3lyp_6-31g(d).smash.inp (generated)

000751061.b3lyp_6-31g(d).nwchem.inp (generated) 000751061.b3lyp_6-31g(d).log.xz 000751061.td-b3lyp_6-31g+(d).inp 000751061.td-b3lyp_6-31g+(d).log.xz

000751061.td-b3lyp_6-31+g(d).qchem.inp (generated)

000751061.td-b3lyp_6-31+g(d).gjf (generated)

000751061.td-b3lyp_6-31+g(d).firefly.inp (generated)

000751061.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000751061.mol 000751061.PUBCHEM 000751061.mol (via Jmol)
000751074.b3lyp_6-31g(d).inp

000751074.b3lyp_6-31g(d).qchem.inp (generated)

000751074.b3lyp_6-31g(d).gjf (generated)

000751074.b3lyp_6-31g(d).firefly.inp (generated)

000751074.b3lyp_6-31g(d).smash.inp (generated)

000751074.b3lyp_6-31g(d).nwchem.inp (generated) 000751074.b3lyp_6-31g(d).log.xz 000751074.mol 000751074.PUBCHEM 000751074.mol (via Jmol)
000751091.b3lyp_6-31g(d).inp

000751091.b3lyp_6-31g(d).qchem.inp (generated)

000751091.b3lyp_6-31g(d).gjf (generated)

000751091.b3lyp_6-31g(d).firefly.inp (generated)

000751091.b3lyp_6-31g(d).smash.inp (generated)

000751091.b3lyp_6-31g(d).nwchem.inp (generated) 000751091.b3lyp_6-31g(d).log.xz 000751091.mol 000751091.PUBCHEM 000751091.mol (via Jmol)
000751092.b3lyp_6-31g(d).inp

000751092.b3lyp_6-31g(d).qchem.inp (generated)

000751092.b3lyp_6-31g(d).gjf (generated)

000751092.b3lyp_6-31g(d).firefly.inp (generated)

000751092.b3lyp_6-31g(d).smash.inp (generated)

000751092.b3lyp_6-31g(d).nwchem.inp (generated) 000751092.b3lyp_6-31g(d).log.xz 000751092.mol 000751092.PUBCHEM 000751092.mol (via Jmol)
000751100.b3lyp_6-31g(d).inp

000751100.b3lyp_6-31g(d).qchem.inp (generated)

000751100.b3lyp_6-31g(d).gjf (generated)

000751100.b3lyp_6-31g(d).firefly.inp (generated)

000751100.b3lyp_6-31g(d).smash.inp (generated)

000751100.b3lyp_6-31g(d).nwchem.inp (generated) 000751100.b3lyp_6-31g(d).log.xz 000751100.mol 000751100.PUBCHEM 000751100.mol (via Jmol)
000751102.b3lyp_6-31g(d).inp

000751102.b3lyp_6-31g(d).qchem.inp (generated)

000751102.b3lyp_6-31g(d).gjf (generated)

000751102.b3lyp_6-31g(d).firefly.inp (generated)

000751102.b3lyp_6-31g(d).smash.inp (generated)

000751102.b3lyp_6-31g(d).nwchem.inp (generated) 000751102.b3lyp_6-31g(d).log.xz 000751102.mol 000751102.PUBCHEM 000751102.mol (via Jmol)
000751126.b3lyp_6-31g(d).inp

000751126.b3lyp_6-31g(d).qchem.inp (generated)

000751126.b3lyp_6-31g(d).gjf (generated)

000751126.b3lyp_6-31g(d).firefly.inp (generated)

000751126.b3lyp_6-31g(d).smash.inp (generated)

000751126.b3lyp_6-31g(d).nwchem.inp (generated) 000751126.b3lyp_6-31g(d).log.xz 000751126.mol 000751126.PUBCHEM 000751126.mol (via Jmol)
000751146.b3lyp_6-31g(d).inp

000751146.b3lyp_6-31g(d).qchem.inp (generated)

000751146.b3lyp_6-31g(d).gjf (generated)

000751146.b3lyp_6-31g(d).firefly.inp (generated)

000751146.b3lyp_6-31g(d).smash.inp (generated)

000751146.b3lyp_6-31g(d).nwchem.inp (generated) 000751146.b3lyp_6-31g(d).log.xz 000751146.td-b3lyp_6-31g+(d).inp 000751146.td-b3lyp_6-31g+(d).log.xz

000751146.td-b3lyp_6-31+g(d).qchem.inp (generated)

000751146.td-b3lyp_6-31+g(d).gjf (generated)

000751146.td-b3lyp_6-31+g(d).firefly.inp (generated)

000751146.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000751146.mol 000751146.PUBCHEM 000751146.mol (via Jmol)
000751179.b3lyp_6-31g(d).inp

000751179.b3lyp_6-31g(d).qchem.inp (generated)

000751179.b3lyp_6-31g(d).gjf (generated)

000751179.b3lyp_6-31g(d).firefly.inp (generated)

000751179.b3lyp_6-31g(d).smash.inp (generated)

000751179.b3lyp_6-31g(d).nwchem.inp (generated) 000751179.b3lyp_6-31g(d).log.xz 000751179.mol 000751179.PUBCHEM 000751179.mol (via Jmol)
000751182.b3lyp_6-31g(d).inp

000751182.b3lyp_6-31g(d).qchem.inp (generated)

000751182.b3lyp_6-31g(d).gjf (generated)

000751182.b3lyp_6-31g(d).firefly.inp (generated)

000751182.b3lyp_6-31g(d).smash.inp (generated)

000751182.b3lyp_6-31g(d).nwchem.inp (generated) 000751182.b3lyp_6-31g(d).log.xz 000751182.mol 000751182.PUBCHEM 000751182.mol (via Jmol)
000751183.b3lyp_6-31g(d).inp

000751183.b3lyp_6-31g(d).qchem.inp (generated)

000751183.b3lyp_6-31g(d).gjf (generated)

000751183.b3lyp_6-31g(d).firefly.inp (generated)

000751183.b3lyp_6-31g(d).smash.inp (generated)

000751183.b3lyp_6-31g(d).nwchem.inp (generated) 000751183.b3lyp_6-31g(d).log.xz 000751183.mol 000751183.PUBCHEM 000751183.mol (via Jmol)
000751226.b3lyp_6-31g(d).inp

000751226.b3lyp_6-31g(d).qchem.inp (generated)

000751226.b3lyp_6-31g(d).gjf (generated)

000751226.b3lyp_6-31g(d).firefly.inp (generated)

000751226.b3lyp_6-31g(d).smash.inp (generated)

000751226.b3lyp_6-31g(d).nwchem.inp (generated) 000751226.b3lyp_6-31g(d).log.xz 000751226.td-b3lyp_6-31g+(d).inp 000751226.td-b3lyp_6-31g+(d).log.xz

000751226.td-b3lyp_6-31+g(d).qchem.inp (generated)

000751226.td-b3lyp_6-31+g(d).gjf (generated)

000751226.td-b3lyp_6-31+g(d).firefly.inp (generated)

000751226.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000751226.mol 000751226.PUBCHEM 000751226.mol (via Jmol)
000751233.b3lyp_6-31g(d).inp

000751233.b3lyp_6-31g(d).qchem.inp (generated)

000751233.b3lyp_6-31g(d).gjf (generated)

000751233.b3lyp_6-31g(d).firefly.inp (generated)

000751233.b3lyp_6-31g(d).smash.inp (generated)

000751233.b3lyp_6-31g(d).nwchem.inp (generated) 000751233.b3lyp_6-31g(d).log.xz 000751233.mol 000751233.PUBCHEM 000751233.mol (via Jmol)
000751235.b3lyp_6-31g(d).inp

000751235.b3lyp_6-31g(d).qchem.inp (generated)

000751235.b3lyp_6-31g(d).gjf (generated)

000751235.b3lyp_6-31g(d).firefly.inp (generated)

000751235.b3lyp_6-31g(d).smash.inp (generated)

000751235.b3lyp_6-31g(d).nwchem.inp (generated) 000751235.b3lyp_6-31g(d).log.xz 000751235.mol 000751235.PUBCHEM 000751235.mol (via Jmol)
000751240.b3lyp_6-31g(d).inp

000751240.b3lyp_6-31g(d).qchem.inp (generated)

000751240.b3lyp_6-31g(d).gjf (generated)

000751240.b3lyp_6-31g(d).firefly.inp (generated)

000751240.b3lyp_6-31g(d).smash.inp (generated)

000751240.b3lyp_6-31g(d).nwchem.inp (generated) 000751240.b3lyp_6-31g(d).log.xz 000751240.td-b3lyp_6-31g+(d).inp 000751240.td-b3lyp_6-31g+(d).log.xz

000751240.td-b3lyp_6-31+g(d).qchem.inp (generated)

000751240.td-b3lyp_6-31+g(d).gjf (generated)

000751240.td-b3lyp_6-31+g(d).firefly.inp (generated)

000751240.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000751240.mol 000751240.PUBCHEM 000751240.mol (via Jmol)
000751242.b3lyp_6-31g(d).inp

000751242.b3lyp_6-31g(d).qchem.inp (generated)

000751242.b3lyp_6-31g(d).gjf (generated)

000751242.b3lyp_6-31g(d).firefly.inp (generated)

000751242.b3lyp_6-31g(d).smash.inp (generated)

000751242.b3lyp_6-31g(d).nwchem.inp (generated) 000751242.b3lyp_6-31g(d).log.xz 000751242.td-b3lyp_6-31g+(d).inp 000751242.td-b3lyp_6-31g+(d).log.xz

000751242.td-b3lyp_6-31+g(d).qchem.inp (generated)

000751242.td-b3lyp_6-31+g(d).gjf (generated)

000751242.td-b3lyp_6-31+g(d).firefly.inp (generated)

000751242.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000751242.mol 000751242.PUBCHEM 000751242.mol (via Jmol)
000751246.b3lyp_6-31g(d).inp

000751246.b3lyp_6-31g(d).qchem.inp (generated)

000751246.b3lyp_6-31g(d).gjf (generated)

000751246.b3lyp_6-31g(d).firefly.inp (generated)

000751246.b3lyp_6-31g(d).smash.inp (generated)

000751246.b3lyp_6-31g(d).nwchem.inp (generated) 000751246.b3lyp_6-31g(d).log.xz 000751246.td-b3lyp_6-31g+(d).inp 000751246.td-b3lyp_6-31g+(d).log.xz

000751246.td-b3lyp_6-31+g(d).qchem.inp (generated)

000751246.td-b3lyp_6-31+g(d).gjf (generated)

000751246.td-b3lyp_6-31+g(d).firefly.inp (generated)

000751246.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000751246.mol 000751246.PUBCHEM 000751246.mol (via Jmol)
000751249.b3lyp_6-31g(d).inp

000751249.b3lyp_6-31g(d).qchem.inp (generated)

000751249.b3lyp_6-31g(d).gjf (generated)

000751249.b3lyp_6-31g(d).firefly.inp (generated)

000751249.b3lyp_6-31g(d).smash.inp (generated)

000751249.b3lyp_6-31g(d).nwchem.inp (generated) 000751249.b3lyp_6-31g(d).log.xz 000751249.td-b3lyp_6-31g+(d).inp 000751249.td-b3lyp_6-31g+(d).log.xz

000751249.td-b3lyp_6-31+g(d).qchem.inp (generated)

000751249.td-b3lyp_6-31+g(d).gjf (generated)

000751249.td-b3lyp_6-31+g(d).firefly.inp (generated)

000751249.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000751249.mol 000751249.PUBCHEM 000751249.mol (via Jmol)
000751263.b3lyp_6-31g(d).inp

000751263.b3lyp_6-31g(d).qchem.inp (generated)

000751263.b3lyp_6-31g(d).gjf (generated)

000751263.b3lyp_6-31g(d).firefly.inp (generated)

000751263.b3lyp_6-31g(d).smash.inp (generated)

000751263.b3lyp_6-31g(d).nwchem.inp (generated) 000751263.b3lyp_6-31g(d).log.xz 000751263.mol 000751263.PUBCHEM 000751263.mol (via Jmol)
000751284.b3lyp_6-31g(d).inp

000751284.b3lyp_6-31g(d).qchem.inp (generated)

000751284.b3lyp_6-31g(d).gjf (generated)

000751284.b3lyp_6-31g(d).firefly.inp (generated)

000751284.b3lyp_6-31g(d).smash.inp (generated)

000751284.b3lyp_6-31g(d).nwchem.inp (generated) 000751284.b3lyp_6-31g(d).log.xz 000751284.mol 000751284.PUBCHEM 000751284.mol (via Jmol)
000751339.b3lyp_6-31g(d).inp

000751339.b3lyp_6-31g(d).qchem.inp (generated)

000751339.b3lyp_6-31g(d).gjf (generated)

000751339.b3lyp_6-31g(d).firefly.inp (generated)

000751339.b3lyp_6-31g(d).smash.inp (generated)

000751339.b3lyp_6-31g(d).nwchem.inp (generated) 000751339.b3lyp_6-31g(d).log.xz 000751339.td-b3lyp_6-31g+(d).inp 000751339.td-b3lyp_6-31g+(d).log.xz

000751339.td-b3lyp_6-31+g(d).qchem.inp (generated)

000751339.td-b3lyp_6-31+g(d).gjf (generated)

000751339.td-b3lyp_6-31+g(d).firefly.inp (generated)

000751339.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000751339.mol 000751339.PUBCHEM 000751339.mol (via Jmol)
000751365.b3lyp_6-31g(d).inp

000751365.b3lyp_6-31g(d).qchem.inp (generated)

000751365.b3lyp_6-31g(d).gjf (generated)

000751365.b3lyp_6-31g(d).firefly.inp (generated)

000751365.b3lyp_6-31g(d).smash.inp (generated)

000751365.b3lyp_6-31g(d).nwchem.inp (generated) 000751365.b3lyp_6-31g(d).log.xz 000751365.td-b3lyp_6-31g+(d).inp 000751365.td-b3lyp_6-31g+(d).log.xz

000751365.td-b3lyp_6-31+g(d).qchem.inp (generated)

000751365.td-b3lyp_6-31+g(d).gjf (generated)

000751365.td-b3lyp_6-31+g(d).firefly.inp (generated)

000751365.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000751365.mol 000751365.PUBCHEM 000751365.mol (via Jmol)
000751446.b3lyp_6-31g(d).inp

000751446.b3lyp_6-31g(d).qchem.inp (generated)

000751446.b3lyp_6-31g(d).gjf (generated)

000751446.b3lyp_6-31g(d).firefly.inp (generated)

000751446.b3lyp_6-31g(d).smash.inp (generated)

000751446.b3lyp_6-31g(d).nwchem.inp (generated) 000751446.b3lyp_6-31g(d).log.xz 000751446.td-b3lyp_6-31g+(d).inp 000751446.td-b3lyp_6-31g+(d).log.xz

000751446.td-b3lyp_6-31+g(d).qchem.inp (generated)

000751446.td-b3lyp_6-31+g(d).gjf (generated)

000751446.td-b3lyp_6-31+g(d).firefly.inp (generated)

000751446.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000751446.mol 000751446.PUBCHEM 000751446.mol (via Jmol)
000751450.b3lyp_6-31g(d).inp

000751450.b3lyp_6-31g(d).qchem.inp (generated)

000751450.b3lyp_6-31g(d).gjf (generated)

000751450.b3lyp_6-31g(d).firefly.inp (generated)

000751450.b3lyp_6-31g(d).smash.inp (generated)

000751450.b3lyp_6-31g(d).nwchem.inp (generated) 000751450.b3lyp_6-31g(d).log.xz 000751450.td-b3lyp_6-31g+(d).inp 000751450.td-b3lyp_6-31g+(d).log.xz

000751450.td-b3lyp_6-31+g(d).qchem.inp (generated)

000751450.td-b3lyp_6-31+g(d).gjf (generated)

000751450.td-b3lyp_6-31+g(d).firefly.inp (generated)

000751450.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000751450.mol 000751450.PUBCHEM 000751450.mol (via Jmol)
000751452.b3lyp_6-31g(d).inp

000751452.b3lyp_6-31g(d).qchem.inp (generated)

000751452.b3lyp_6-31g(d).gjf (generated)

000751452.b3lyp_6-31g(d).firefly.inp (generated)

000751452.b3lyp_6-31g(d).smash.inp (generated)

000751452.b3lyp_6-31g(d).nwchem.inp (generated) 000751452.b3lyp_6-31g(d).log.xz 000751452.td-b3lyp_6-31g+(d).inp 000751452.td-b3lyp_6-31g+(d).log.xz

000751452.td-b3lyp_6-31+g(d).qchem.inp (generated)

000751452.td-b3lyp_6-31+g(d).gjf (generated)

000751452.td-b3lyp_6-31+g(d).firefly.inp (generated)

000751452.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000751452.mol 000751452.PUBCHEM 000751452.mol (via Jmol)
000751462.b3lyp_6-31g(d).inp

000751462.b3lyp_6-31g(d).qchem.inp (generated)

000751462.b3lyp_6-31g(d).gjf (generated)

000751462.b3lyp_6-31g(d).firefly.inp (generated)

000751462.b3lyp_6-31g(d).smash.inp (generated)

000751462.b3lyp_6-31g(d).nwchem.inp (generated) 000751462.b3lyp_6-31g(d).log.xz 000751462.td-b3lyp_6-31g+(d).inp 000751462.td-b3lyp_6-31g+(d).log.xz

000751462.td-b3lyp_6-31+g(d).qchem.inp (generated)

000751462.td-b3lyp_6-31+g(d).gjf (generated)

000751462.td-b3lyp_6-31+g(d).firefly.inp (generated)

000751462.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000751462.mol 000751462.PUBCHEM 000751462.mol (via Jmol)
000751494.b3lyp_6-31g(d).inp

000751494.b3lyp_6-31g(d).qchem.inp (generated)

000751494.b3lyp_6-31g(d).gjf (generated)

000751494.b3lyp_6-31g(d).firefly.inp (generated)

000751494.b3lyp_6-31g(d).smash.inp (generated)

000751494.b3lyp_6-31g(d).nwchem.inp (generated) 000751494.b3lyp_6-31g(d).log.xz 000751494.td-b3lyp_6-31g+(d).inp 000751494.td-b3lyp_6-31g+(d).log.xz

000751494.td-b3lyp_6-31+g(d).qchem.inp (generated)

000751494.td-b3lyp_6-31+g(d).gjf (generated)

000751494.td-b3lyp_6-31+g(d).firefly.inp (generated)

000751494.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000751494.mol 000751494.PUBCHEM 000751494.mol (via Jmol)
000751495.b3lyp_6-31g(d).inp

000751495.b3lyp_6-31g(d).qchem.inp (generated)

000751495.b3lyp_6-31g(d).gjf (generated)

000751495.b3lyp_6-31g(d).firefly.inp (generated)

000751495.b3lyp_6-31g(d).smash.inp (generated)

000751495.b3lyp_6-31g(d).nwchem.inp (generated) 000751495.b3lyp_6-31g(d).log.xz 000751495.td-b3lyp_6-31g+(d).inp 000751495.td-b3lyp_6-31g+(d).log.xz

000751495.td-b3lyp_6-31+g(d).qchem.inp (generated)

000751495.td-b3lyp_6-31+g(d).gjf (generated)

000751495.td-b3lyp_6-31+g(d).firefly.inp (generated)

000751495.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000751495.mol 000751495.PUBCHEM 000751495.mol (via Jmol)
000751498.b3lyp_6-31g(d).inp

000751498.b3lyp_6-31g(d).qchem.inp (generated)

000751498.b3lyp_6-31g(d).gjf (generated)

000751498.b3lyp_6-31g(d).firefly.inp (generated)

000751498.b3lyp_6-31g(d).smash.inp (generated)

000751498.b3lyp_6-31g(d).nwchem.inp (generated) 000751498.b3lyp_6-31g(d).log.xz 000751498.td-b3lyp_6-31g+(d).inp 000751498.td-b3lyp_6-31g+(d).log.xz

000751498.td-b3lyp_6-31+g(d).qchem.inp (generated)

000751498.td-b3lyp_6-31+g(d).gjf (generated)

000751498.td-b3lyp_6-31+g(d).firefly.inp (generated)

000751498.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000751498.mol 000751498.PUBCHEM 000751498.mol (via Jmol)
000751501.b3lyp_6-31g(d).inp

000751501.b3lyp_6-31g(d).qchem.inp (generated)

000751501.b3lyp_6-31g(d).gjf (generated)

000751501.b3lyp_6-31g(d).firefly.inp (generated)

000751501.b3lyp_6-31g(d).smash.inp (generated)

000751501.b3lyp_6-31g(d).nwchem.inp (generated) 000751501.b3lyp_6-31g(d).log.xz 000751501.td-b3lyp_6-31g+(d).inp 000751501.td-b3lyp_6-31g+(d).log.xz

000751501.td-b3lyp_6-31+g(d).qchem.inp (generated)

000751501.td-b3lyp_6-31+g(d).gjf (generated)

000751501.td-b3lyp_6-31+g(d).firefly.inp (generated)

000751501.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000751501.mol 000751501.PUBCHEM 000751501.mol (via Jmol)
000751502.b3lyp_6-31g(d).inp

000751502.b3lyp_6-31g(d).qchem.inp (generated)

000751502.b3lyp_6-31g(d).gjf (generated)

000751502.b3lyp_6-31g(d).firefly.inp (generated)

000751502.b3lyp_6-31g(d).smash.inp (generated)

000751502.b3lyp_6-31g(d).nwchem.inp (generated) 000751502.b3lyp_6-31g(d).log.xz 000751502.td-b3lyp_6-31g+(d).inp 000751502.td-b3lyp_6-31g+(d).log.xz

000751502.td-b3lyp_6-31+g(d).qchem.inp (generated)

000751502.td-b3lyp_6-31+g(d).gjf (generated)

000751502.td-b3lyp_6-31+g(d).firefly.inp (generated)

000751502.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000751502.mol 000751502.PUBCHEM 000751502.mol (via Jmol)
000751517.b3lyp_6-31g(d).inp

000751517.b3lyp_6-31g(d).qchem.inp (generated)

000751517.b3lyp_6-31g(d).gjf (generated)

000751517.b3lyp_6-31g(d).firefly.inp (generated)

000751517.b3lyp_6-31g(d).smash.inp (generated)

000751517.b3lyp_6-31g(d).nwchem.inp (generated) 000751517.b3lyp_6-31g(d).log.xz 000751517.mol 000751517.PUBCHEM 000751517.mol (via Jmol)
000751522.b3lyp_6-31g(d).inp

000751522.b3lyp_6-31g(d).qchem.inp (generated)

000751522.b3lyp_6-31g(d).gjf (generated)

000751522.b3lyp_6-31g(d).firefly.inp (generated)

000751522.b3lyp_6-31g(d).smash.inp (generated)

000751522.b3lyp_6-31g(d).nwchem.inp (generated) 000751522.b3lyp_6-31g(d).log.xz 000751522.td-b3lyp_6-31g+(d).inp 000751522.td-b3lyp_6-31g+(d).log.xz

000751522.td-b3lyp_6-31+g(d).qchem.inp (generated)

000751522.td-b3lyp_6-31+g(d).gjf (generated)

000751522.td-b3lyp_6-31+g(d).firefly.inp (generated)

000751522.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000751522.mol 000751522.PUBCHEM 000751522.mol (via Jmol)
000751523.b3lyp_6-31g(d).inp

000751523.b3lyp_6-31g(d).qchem.inp (generated)

000751523.b3lyp_6-31g(d).gjf (generated)

000751523.b3lyp_6-31g(d).firefly.inp (generated)

000751523.b3lyp_6-31g(d).smash.inp (generated)

000751523.b3lyp_6-31g(d).nwchem.inp (generated) 000751523.b3lyp_6-31g(d).log.xz 000751523.td-b3lyp_6-31g+(d).inp 000751523.td-b3lyp_6-31g+(d).log.xz

000751523.td-b3lyp_6-31+g(d).qchem.inp (generated)

000751523.td-b3lyp_6-31+g(d).gjf (generated)

000751523.td-b3lyp_6-31+g(d).firefly.inp (generated)

000751523.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000751523.mol 000751523.PUBCHEM 000751523.mol (via Jmol)
000751528.b3lyp_6-31g(d).inp

000751528.b3lyp_6-31g(d).qchem.inp (generated)

000751528.b3lyp_6-31g(d).gjf (generated)

000751528.b3lyp_6-31g(d).firefly.inp (generated)

000751528.b3lyp_6-31g(d).smash.inp (generated)

000751528.b3lyp_6-31g(d).nwchem.inp (generated) 000751528.b3lyp_6-31g(d).log.xz 000751528.td-b3lyp_6-31g+(d).inp 000751528.td-b3lyp_6-31g+(d).log.xz

000751528.td-b3lyp_6-31+g(d).qchem.inp (generated)

000751528.td-b3lyp_6-31+g(d).gjf (generated)

000751528.td-b3lyp_6-31+g(d).firefly.inp (generated)

000751528.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000751528.mol 000751528.PUBCHEM 000751528.mol (via Jmol)
000751529.b3lyp_6-31g(d).inp

000751529.b3lyp_6-31g(d).qchem.inp (generated)

000751529.b3lyp_6-31g(d).gjf (generated)

000751529.b3lyp_6-31g(d).firefly.inp (generated)

000751529.b3lyp_6-31g(d).smash.inp (generated)

000751529.b3lyp_6-31g(d).nwchem.inp (generated) 000751529.b3lyp_6-31g(d).log.xz 000751529.td-b3lyp_6-31g+(d).inp 000751529.td-b3lyp_6-31g+(d).log.xz

000751529.td-b3lyp_6-31+g(d).qchem.inp (generated)

000751529.td-b3lyp_6-31+g(d).gjf (generated)

000751529.td-b3lyp_6-31+g(d).firefly.inp (generated)

000751529.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000751529.mol 000751529.PUBCHEM 000751529.mol (via Jmol)
000751530.b3lyp_6-31g(d).inp

000751530.b3lyp_6-31g(d).qchem.inp (generated)

000751530.b3lyp_6-31g(d).gjf (generated)

000751530.b3lyp_6-31g(d).firefly.inp (generated)

000751530.b3lyp_6-31g(d).smash.inp (generated)

000751530.b3lyp_6-31g(d).nwchem.inp (generated) 000751530.b3lyp_6-31g(d).log.xz 000751530.mol 000751530.PUBCHEM 000751530.mol (via Jmol)
000751531.b3lyp_6-31g(d).inp

000751531.b3lyp_6-31g(d).qchem.inp (generated)

000751531.b3lyp_6-31g(d).gjf (generated)

000751531.b3lyp_6-31g(d).firefly.inp (generated)

000751531.b3lyp_6-31g(d).smash.inp (generated)

000751531.b3lyp_6-31g(d).nwchem.inp (generated) 000751531.b3lyp_6-31g(d).log.xz 000751531.mol 000751531.PUBCHEM 000751531.mol (via Jmol)
000751533.b3lyp_6-31g(d).inp

000751533.b3lyp_6-31g(d).qchem.inp (generated)

000751533.b3lyp_6-31g(d).gjf (generated)

000751533.b3lyp_6-31g(d).firefly.inp (generated)

000751533.b3lyp_6-31g(d).smash.inp (generated)

000751533.b3lyp_6-31g(d).nwchem.inp (generated) 000751533.b3lyp_6-31g(d).log.xz 000751533.td-b3lyp_6-31g+(d).inp 000751533.td-b3lyp_6-31g+(d).log.xz

000751533.td-b3lyp_6-31+g(d).qchem.inp (generated)

000751533.td-b3lyp_6-31+g(d).gjf (generated)

000751533.td-b3lyp_6-31+g(d).firefly.inp (generated)

000751533.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000751533.mol 000751533.PUBCHEM 000751533.mol (via Jmol)
000751534.b3lyp_6-31g(d).inp

000751534.b3lyp_6-31g(d).qchem.inp (generated)

000751534.b3lyp_6-31g(d).gjf (generated)

000751534.b3lyp_6-31g(d).firefly.inp (generated)

000751534.b3lyp_6-31g(d).smash.inp (generated)

000751534.b3lyp_6-31g(d).nwchem.inp (generated) 000751534.b3lyp_6-31g(d).log.xz 000751534.td-b3lyp_6-31g+(d).inp 000751534.td-b3lyp_6-31g+(d).log.xz

000751534.td-b3lyp_6-31+g(d).qchem.inp (generated)

000751534.td-b3lyp_6-31+g(d).gjf (generated)

000751534.td-b3lyp_6-31+g(d).firefly.inp (generated)

000751534.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000751534.mol 000751534.PUBCHEM 000751534.mol (via Jmol)
000751536.b3lyp_6-31g(d).inp

000751536.b3lyp_6-31g(d).qchem.inp (generated)

000751536.b3lyp_6-31g(d).gjf (generated)

000751536.b3lyp_6-31g(d).firefly.inp (generated)

000751536.b3lyp_6-31g(d).smash.inp (generated)

000751536.b3lyp_6-31g(d).nwchem.inp (generated) 000751536.b3lyp_6-31g(d).log.xz 000751536.td-b3lyp_6-31g+(d).inp 000751536.td-b3lyp_6-31g+(d).log.xz

000751536.td-b3lyp_6-31+g(d).qchem.inp (generated)

000751536.td-b3lyp_6-31+g(d).gjf (generated)

000751536.td-b3lyp_6-31+g(d).firefly.inp (generated)

000751536.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000751536.mol 000751536.PUBCHEM 000751536.mol (via Jmol)
000751538.b3lyp_6-31g(d).inp

000751538.b3lyp_6-31g(d).qchem.inp (generated)

000751538.b3lyp_6-31g(d).gjf (generated)

000751538.b3lyp_6-31g(d).firefly.inp (generated)

000751538.b3lyp_6-31g(d).smash.inp (generated)

000751538.b3lyp_6-31g(d).nwchem.inp (generated) 000751538.b3lyp_6-31g(d).log.xz 000751538.td-b3lyp_6-31g+(d).inp 000751538.td-b3lyp_6-31g+(d).log.xz

000751538.td-b3lyp_6-31+g(d).qchem.inp (generated)

000751538.td-b3lyp_6-31+g(d).gjf (generated)

000751538.td-b3lyp_6-31+g(d).firefly.inp (generated)

000751538.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000751538.mol 000751538.PUBCHEM 000751538.mol (via Jmol)
000751547.b3lyp_6-31g(d).inp

000751547.b3lyp_6-31g(d).qchem.inp (generated)

000751547.b3lyp_6-31g(d).gjf (generated)

000751547.b3lyp_6-31g(d).firefly.inp (generated)

000751547.b3lyp_6-31g(d).smash.inp (generated)

000751547.b3lyp_6-31g(d).nwchem.inp (generated) 000751547.b3lyp_6-31g(d).log.xz 000751547.td-b3lyp_6-31g+(d).inp 000751547.td-b3lyp_6-31g+(d).log.xz

000751547.td-b3lyp_6-31+g(d).qchem.inp (generated)

000751547.td-b3lyp_6-31+g(d).gjf (generated)

000751547.td-b3lyp_6-31+g(d).firefly.inp (generated)

000751547.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000751547.mol 000751547.PUBCHEM 000751547.mol (via Jmol)
000751621.b3lyp_6-31g(d).inp

000751621.b3lyp_6-31g(d).qchem.inp (generated)

000751621.b3lyp_6-31g(d).gjf (generated)

000751621.b3lyp_6-31g(d).firefly.inp (generated)

000751621.b3lyp_6-31g(d).smash.inp (generated)

000751621.b3lyp_6-31g(d).nwchem.inp (generated) 000751621.b3lyp_6-31g(d).log.xz 000751621.td-b3lyp_6-31g+(d).inp 000751621.td-b3lyp_6-31g+(d).log.xz

000751621.td-b3lyp_6-31+g(d).qchem.inp (generated)

000751621.td-b3lyp_6-31+g(d).gjf (generated)

000751621.td-b3lyp_6-31+g(d).firefly.inp (generated)

000751621.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000751621.mol 000751621.PUBCHEM 000751621.mol (via Jmol)
000751644.b3lyp_6-31g(d).inp

000751644.b3lyp_6-31g(d).qchem.inp (generated)

000751644.b3lyp_6-31g(d).gjf (generated)

000751644.b3lyp_6-31g(d).firefly.inp (generated)

000751644.b3lyp_6-31g(d).smash.inp (generated)

000751644.b3lyp_6-31g(d).nwchem.inp (generated) 000751644.b3lyp_6-31g(d).log.xz 000751644.mol 000751644.PUBCHEM 000751644.mol (via Jmol)
000751645.b3lyp_6-31g(d).inp

000751645.b3lyp_6-31g(d).qchem.inp (generated)

000751645.b3lyp_6-31g(d).gjf (generated)

000751645.b3lyp_6-31g(d).firefly.inp (generated)

000751645.b3lyp_6-31g(d).smash.inp (generated)

000751645.b3lyp_6-31g(d).nwchem.inp (generated) 000751645.b3lyp_6-31g(d).log.xz 000751645.td-b3lyp_6-31g+(d).inp 000751645.td-b3lyp_6-31g+(d).log.xz

000751645.td-b3lyp_6-31+g(d).qchem.inp (generated)

000751645.td-b3lyp_6-31+g(d).gjf (generated)

000751645.td-b3lyp_6-31+g(d).firefly.inp (generated)

000751645.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000751645.mol 000751645.PUBCHEM 000751645.mol (via Jmol)
000751646.b3lyp_6-31g(d).inp

000751646.b3lyp_6-31g(d).qchem.inp (generated)

000751646.b3lyp_6-31g(d).gjf (generated)

000751646.b3lyp_6-31g(d).firefly.inp (generated)

000751646.b3lyp_6-31g(d).smash.inp (generated)

000751646.b3lyp_6-31g(d).nwchem.inp (generated) 000751646.b3lyp_6-31g(d).log.xz 000751646.td-b3lyp_6-31g+(d).inp 000751646.td-b3lyp_6-31g+(d).log.xz

000751646.td-b3lyp_6-31+g(d).qchem.inp (generated)

000751646.td-b3lyp_6-31+g(d).gjf (generated)

000751646.td-b3lyp_6-31+g(d).firefly.inp (generated)

000751646.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000751646.mol 000751646.PUBCHEM 000751646.mol (via Jmol)
000751652.b3lyp_6-31g(d).inp

000751652.b3lyp_6-31g(d).qchem.inp (generated)

000751652.b3lyp_6-31g(d).gjf (generated)

000751652.b3lyp_6-31g(d).firefly.inp (generated)

000751652.b3lyp_6-31g(d).smash.inp (generated)

000751652.b3lyp_6-31g(d).nwchem.inp (generated) 000751652.b3lyp_6-31g(d).log.xz 000751652.td-b3lyp_6-31g+(d).inp 000751652.td-b3lyp_6-31g+(d).log.xz

000751652.td-b3lyp_6-31+g(d).qchem.inp (generated)

000751652.td-b3lyp_6-31+g(d).gjf (generated)

000751652.td-b3lyp_6-31+g(d).firefly.inp (generated)

000751652.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000751652.mol 000751652.PUBCHEM 000751652.mol (via Jmol)
000751654.b3lyp_6-31g(d).inp

000751654.b3lyp_6-31g(d).qchem.inp (generated)

000751654.b3lyp_6-31g(d).gjf (generated)

000751654.b3lyp_6-31g(d).firefly.inp (generated)

000751654.b3lyp_6-31g(d).smash.inp (generated)

000751654.b3lyp_6-31g(d).nwchem.inp (generated) 000751654.b3lyp_6-31g(d).log.xz 000751654.td-b3lyp_6-31g+(d).inp 000751654.td-b3lyp_6-31g+(d).log.xz

000751654.td-b3lyp_6-31+g(d).qchem.inp (generated)

000751654.td-b3lyp_6-31+g(d).gjf (generated)

000751654.td-b3lyp_6-31+g(d).firefly.inp (generated)

000751654.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000751654.mol 000751654.PUBCHEM 000751654.mol (via Jmol)
000751669.b3lyp_6-31g(d).inp

000751669.b3lyp_6-31g(d).qchem.inp (generated)

000751669.b3lyp_6-31g(d).gjf (generated)

000751669.b3lyp_6-31g(d).firefly.inp (generated)

000751669.b3lyp_6-31g(d).smash.inp (generated)

000751669.b3lyp_6-31g(d).nwchem.inp (generated) 000751669.b3lyp_6-31g(d).log.xz 000751669.td-b3lyp_6-31g+(d).inp 000751669.td-b3lyp_6-31g+(d).log.xz

000751669.td-b3lyp_6-31+g(d).qchem.inp (generated)

000751669.td-b3lyp_6-31+g(d).gjf (generated)

000751669.td-b3lyp_6-31+g(d).firefly.inp (generated)

000751669.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000751669.mol 000751669.PUBCHEM 000751669.mol (via Jmol)
000751695.b3lyp_6-31g(d).inp

000751695.b3lyp_6-31g(d).qchem.inp (generated)

000751695.b3lyp_6-31g(d).gjf (generated)

000751695.b3lyp_6-31g(d).firefly.inp (generated)

000751695.b3lyp_6-31g(d).smash.inp (generated)

000751695.b3lyp_6-31g(d).nwchem.inp (generated) 000751695.b3lyp_6-31g(d).log.xz 000751695.td-b3lyp_6-31g+(d).inp 000751695.td-b3lyp_6-31g+(d).log.xz

000751695.td-b3lyp_6-31+g(d).qchem.inp (generated)

000751695.td-b3lyp_6-31+g(d).gjf (generated)

000751695.td-b3lyp_6-31+g(d).firefly.inp (generated)

000751695.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000751695.mol 000751695.PUBCHEM 000751695.mol (via Jmol)
000751718.b3lyp_6-31g(d).inp

000751718.b3lyp_6-31g(d).qchem.inp (generated)

000751718.b3lyp_6-31g(d).gjf (generated)

000751718.b3lyp_6-31g(d).firefly.inp (generated)

000751718.b3lyp_6-31g(d).smash.inp (generated)

000751718.b3lyp_6-31g(d).nwchem.inp (generated) 000751718.b3lyp_6-31g(d).log.xz 000751718.mol 000751718.PUBCHEM 000751718.mol (via Jmol)
000751731.b3lyp_6-31g(d).inp

000751731.b3lyp_6-31g(d).qchem.inp (generated)

000751731.b3lyp_6-31g(d).gjf (generated)

000751731.b3lyp_6-31g(d).firefly.inp (generated)

000751731.b3lyp_6-31g(d).smash.inp (generated)

000751731.b3lyp_6-31g(d).nwchem.inp (generated) 000751731.b3lyp_6-31g(d).log.xz 000751731.mol 000751731.PUBCHEM 000751731.mol (via Jmol)
000751733.b3lyp_6-31g(d).inp

000751733.b3lyp_6-31g(d).qchem.inp (generated)

000751733.b3lyp_6-31g(d).gjf (generated)

000751733.b3lyp_6-31g(d).firefly.inp (generated)

000751733.b3lyp_6-31g(d).smash.inp (generated)

000751733.b3lyp_6-31g(d).nwchem.inp (generated) 000751733.b3lyp_6-31g(d).log.xz 000751733.td-b3lyp_6-31g+(d).inp 000751733.td-b3lyp_6-31g+(d).log.xz

000751733.td-b3lyp_6-31+g(d).qchem.inp (generated)

000751733.td-b3lyp_6-31+g(d).gjf (generated)

000751733.td-b3lyp_6-31+g(d).firefly.inp (generated)

000751733.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000751733.mol 000751733.PUBCHEM 000751733.mol (via Jmol)
000751747.b3lyp_6-31g(d).inp

000751747.b3lyp_6-31g(d).qchem.inp (generated)

000751747.b3lyp_6-31g(d).gjf (generated)

000751747.b3lyp_6-31g(d).firefly.inp (generated)

000751747.b3lyp_6-31g(d).smash.inp (generated)

000751747.b3lyp_6-31g(d).nwchem.inp (generated) 000751747.b3lyp_6-31g(d).log.xz 000751747.td-b3lyp_6-31g+(d).inp 000751747.td-b3lyp_6-31g+(d).log.xz

000751747.td-b3lyp_6-31+g(d).qchem.inp (generated)

000751747.td-b3lyp_6-31+g(d).gjf (generated)

000751747.td-b3lyp_6-31+g(d).firefly.inp (generated)

000751747.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000751747.mol 000751747.PUBCHEM 000751747.mol (via Jmol)
000751761.b3lyp_6-31g(d).inp

000751761.b3lyp_6-31g(d).qchem.inp (generated)

000751761.b3lyp_6-31g(d).gjf (generated)

000751761.b3lyp_6-31g(d).firefly.inp (generated)

000751761.b3lyp_6-31g(d).smash.inp (generated)

000751761.b3lyp_6-31g(d).nwchem.inp (generated) 000751761.b3lyp_6-31g(d).log.xz 000751761.mol 000751761.PUBCHEM 000751761.mol (via Jmol)
000751774.b3lyp_6-31g(d).inp

000751774.b3lyp_6-31g(d).qchem.inp (generated)

000751774.b3lyp_6-31g(d).gjf (generated)

000751774.b3lyp_6-31g(d).firefly.inp (generated)

000751774.b3lyp_6-31g(d).smash.inp (generated)

000751774.b3lyp_6-31g(d).nwchem.inp (generated) 000751774.b3lyp_6-31g(d).log.xz 000751774.mol 000751774.PUBCHEM 000751774.mol (via Jmol)
000751779.b3lyp_6-31g(d).inp

000751779.b3lyp_6-31g(d).qchem.inp (generated)

000751779.b3lyp_6-31g(d).gjf (generated)

000751779.b3lyp_6-31g(d).firefly.inp (generated)

000751779.b3lyp_6-31g(d).smash.inp (generated)

000751779.b3lyp_6-31g(d).nwchem.inp (generated) 000751779.b3lyp_6-31g(d).log.xz 000751779.td-b3lyp_6-31g+(d).inp 000751779.td-b3lyp_6-31g+(d).log.xz

000751779.td-b3lyp_6-31+g(d).qchem.inp (generated)

000751779.td-b3lyp_6-31+g(d).gjf (generated)

000751779.td-b3lyp_6-31+g(d).firefly.inp (generated)

000751779.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000751779.mol 000751779.PUBCHEM 000751779.mol (via Jmol)
000751782.b3lyp_6-31g(d).inp

000751782.b3lyp_6-31g(d).qchem.inp (generated)

000751782.b3lyp_6-31g(d).gjf (generated)

000751782.b3lyp_6-31g(d).firefly.inp (generated)

000751782.b3lyp_6-31g(d).smash.inp (generated)

000751782.b3lyp_6-31g(d).nwchem.inp (generated) 000751782.b3lyp_6-31g(d).log.xz 000751782.td-b3lyp_6-31g+(d).inp 000751782.td-b3lyp_6-31g+(d).log.xz

000751782.td-b3lyp_6-31+g(d).qchem.inp (generated)

000751782.td-b3lyp_6-31+g(d).gjf (generated)

000751782.td-b3lyp_6-31+g(d).firefly.inp (generated)

000751782.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000751782.mol 000751782.PUBCHEM 000751782.mol (via Jmol)
000751783.b3lyp_6-31g(d).inp

000751783.b3lyp_6-31g(d).qchem.inp (generated)

000751783.b3lyp_6-31g(d).gjf (generated)

000751783.b3lyp_6-31g(d).firefly.inp (generated)

000751783.b3lyp_6-31g(d).smash.inp (generated)

000751783.b3lyp_6-31g(d).nwchem.inp (generated) 000751783.b3lyp_6-31g(d).log.xz 000751783.td-b3lyp_6-31g+(d).inp 000751783.td-b3lyp_6-31g+(d).log.xz

000751783.td-b3lyp_6-31+g(d).qchem.inp (generated)

000751783.td-b3lyp_6-31+g(d).gjf (generated)

000751783.td-b3lyp_6-31+g(d).firefly.inp (generated)

000751783.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000751783.mol 000751783.PUBCHEM 000751783.mol (via Jmol)
000751785.b3lyp_6-31g(d).inp

000751785.b3lyp_6-31g(d).qchem.inp (generated)

000751785.b3lyp_6-31g(d).gjf (generated)

000751785.b3lyp_6-31g(d).firefly.inp (generated)

000751785.b3lyp_6-31g(d).smash.inp (generated)

000751785.b3lyp_6-31g(d).nwchem.inp (generated) 000751785.b3lyp_6-31g(d).log.xz 000751785.mol 000751785.PUBCHEM 000751785.mol (via Jmol)
000751788.b3lyp_6-31g(d).inp

000751788.b3lyp_6-31g(d).qchem.inp (generated)

000751788.b3lyp_6-31g(d).gjf (generated)

000751788.b3lyp_6-31g(d).firefly.inp (generated)

000751788.b3lyp_6-31g(d).smash.inp (generated)

000751788.b3lyp_6-31g(d).nwchem.inp (generated) 000751788.b3lyp_6-31g(d).log.xz 000751788.mol 000751788.PUBCHEM 000751788.mol (via Jmol)
000751789.b3lyp_6-31g(d).inp

000751789.b3lyp_6-31g(d).qchem.inp (generated)

000751789.b3lyp_6-31g(d).gjf (generated)

000751789.b3lyp_6-31g(d).firefly.inp (generated)

000751789.b3lyp_6-31g(d).smash.inp (generated)

000751789.b3lyp_6-31g(d).nwchem.inp (generated) 000751789.b3lyp_6-31g(d).log.xz 000751789.mol 000751789.PUBCHEM 000751789.mol (via Jmol)
000751800.b3lyp_6-31g(d).inp

000751800.b3lyp_6-31g(d).qchem.inp (generated)

000751800.b3lyp_6-31g(d).gjf (generated)

000751800.b3lyp_6-31g(d).firefly.inp (generated)

000751800.b3lyp_6-31g(d).smash.inp (generated)

000751800.b3lyp_6-31g(d).nwchem.inp (generated) 000751800.b3lyp_6-31g(d).log.xz 000751800.td-b3lyp_6-31g+(d).inp 000751800.td-b3lyp_6-31g+(d).log.xz

000751800.td-b3lyp_6-31+g(d).qchem.inp (generated)

000751800.td-b3lyp_6-31+g(d).gjf (generated)

000751800.td-b3lyp_6-31+g(d).firefly.inp (generated)

000751800.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000751800.mol 000751800.PUBCHEM 000751800.mol (via Jmol)
000751873.b3lyp_6-31g(d).inp

000751873.b3lyp_6-31g(d).qchem.inp (generated)

000751873.b3lyp_6-31g(d).gjf (generated)

000751873.b3lyp_6-31g(d).firefly.inp (generated)

000751873.b3lyp_6-31g(d).smash.inp (generated)

000751873.b3lyp_6-31g(d).nwchem.inp (generated) 000751873.b3lyp_6-31g(d).log.xz 000751873.td-b3lyp_6-31g+(d).inp 000751873.td-b3lyp_6-31g+(d).log.xz

000751873.td-b3lyp_6-31+g(d).qchem.inp (generated)

000751873.td-b3lyp_6-31+g(d).gjf (generated)

000751873.td-b3lyp_6-31+g(d).firefly.inp (generated)

000751873.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000751873.mol 000751873.PUBCHEM 000751873.mol (via Jmol)
000752094.b3lyp_6-31g(d).inp

000752094.b3lyp_6-31g(d).qchem.inp (generated)

000752094.b3lyp_6-31g(d).gjf (generated)

000752094.b3lyp_6-31g(d).firefly.inp (generated)

000752094.b3lyp_6-31g(d).smash.inp (generated)

000752094.b3lyp_6-31g(d).nwchem.inp (generated) 000752094.b3lyp_6-31g(d).log.xz 000752094.td-b3lyp_6-31g+(d).inp 000752094.td-b3lyp_6-31g+(d).log.xz

000752094.td-b3lyp_6-31+g(d).qchem.inp (generated)

000752094.td-b3lyp_6-31+g(d).gjf (generated)

000752094.td-b3lyp_6-31+g(d).firefly.inp (generated)

000752094.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000752094.mol 000752094.PUBCHEM 000752094.mol (via Jmol)
000752148.b3lyp_6-31g(d).inp

000752148.b3lyp_6-31g(d).qchem.inp (generated)

000752148.b3lyp_6-31g(d).gjf (generated)

000752148.b3lyp_6-31g(d).firefly.inp (generated)

000752148.b3lyp_6-31g(d).smash.inp (generated)

000752148.b3lyp_6-31g(d).nwchem.inp (generated) 000752148.b3lyp_6-31g(d).log.xz 000752148.td-b3lyp_6-31g+(d).inp 000752148.td-b3lyp_6-31g+(d).log.xz

000752148.td-b3lyp_6-31+g(d).qchem.inp (generated)

000752148.td-b3lyp_6-31+g(d).gjf (generated)

000752148.td-b3lyp_6-31+g(d).firefly.inp (generated)

000752148.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000752148.mol 000752148.PUBCHEM 000752148.mol (via Jmol)
000752150.b3lyp_6-31g(d).inp

000752150.b3lyp_6-31g(d).qchem.inp (generated)

000752150.b3lyp_6-31g(d).gjf (generated)

000752150.b3lyp_6-31g(d).firefly.inp (generated)

000752150.b3lyp_6-31g(d).smash.inp (generated)

000752150.b3lyp_6-31g(d).nwchem.inp (generated) 000752150.b3lyp_6-31g(d).log.xz 000752150.td-b3lyp_6-31g+(d).inp 000752150.td-b3lyp_6-31g+(d).log.xz

000752150.td-b3lyp_6-31+g(d).qchem.inp (generated)

000752150.td-b3lyp_6-31+g(d).gjf (generated)

000752150.td-b3lyp_6-31+g(d).firefly.inp (generated)

000752150.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000752150.mol 000752150.PUBCHEM 000752150.mol (via Jmol)
000752152.b3lyp_6-31g(d).inp

000752152.b3lyp_6-31g(d).qchem.inp (generated)

000752152.b3lyp_6-31g(d).gjf (generated)

000752152.b3lyp_6-31g(d).firefly.inp (generated)

000752152.b3lyp_6-31g(d).smash.inp (generated)

000752152.b3lyp_6-31g(d).nwchem.inp (generated) 000752152.b3lyp_6-31g(d).log.xz 000752152.td-b3lyp_6-31g+(d).inp 000752152.td-b3lyp_6-31g+(d).log.xz

000752152.td-b3lyp_6-31+g(d).qchem.inp (generated)

000752152.td-b3lyp_6-31+g(d).gjf (generated)

000752152.td-b3lyp_6-31+g(d).firefly.inp (generated)

000752152.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000752152.mol 000752152.PUBCHEM 000752152.mol (via Jmol)
000752175.b3lyp_6-31g(d).inp

000752175.b3lyp_6-31g(d).qchem.inp (generated)

000752175.b3lyp_6-31g(d).gjf (generated)

000752175.b3lyp_6-31g(d).firefly.inp (generated)

000752175.b3lyp_6-31g(d).smash.inp (generated)

000752175.b3lyp_6-31g(d).nwchem.inp (generated) 000752175.b3lyp_6-31g(d).log.xz 000752175.td-b3lyp_6-31g+(d).inp 000752175.td-b3lyp_6-31g+(d).log.xz

000752175.td-b3lyp_6-31+g(d).qchem.inp (generated)

000752175.td-b3lyp_6-31+g(d).gjf (generated)

000752175.td-b3lyp_6-31+g(d).firefly.inp (generated)

000752175.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000752175.mol 000752175.PUBCHEM 000752175.mol (via Jmol)
000752177.b3lyp_6-31g(d).inp

000752177.b3lyp_6-31g(d).qchem.inp (generated)

000752177.b3lyp_6-31g(d).gjf (generated)

000752177.b3lyp_6-31g(d).firefly.inp (generated)

000752177.b3lyp_6-31g(d).smash.inp (generated)

000752177.b3lyp_6-31g(d).nwchem.inp (generated) 000752177.b3lyp_6-31g(d).log.xz 000752177.td-b3lyp_6-31g+(d).inp 000752177.td-b3lyp_6-31g+(d).log.xz

000752177.td-b3lyp_6-31+g(d).qchem.inp (generated)

000752177.td-b3lyp_6-31+g(d).gjf (generated)

000752177.td-b3lyp_6-31+g(d).firefly.inp (generated)

000752177.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000752177.mol 000752177.PUBCHEM 000752177.mol (via Jmol)
000752226.b3lyp_6-31g(d).inp

000752226.b3lyp_6-31g(d).qchem.inp (generated)

000752226.b3lyp_6-31g(d).gjf (generated)

000752226.b3lyp_6-31g(d).firefly.inp (generated)

000752226.b3lyp_6-31g(d).smash.inp (generated)

000752226.b3lyp_6-31g(d).nwchem.inp (generated) 000752226.b3lyp_6-31g(d).log.xz 000752226.td-b3lyp_6-31g+(d).inp 000752226.td-b3lyp_6-31g+(d).log.xz

000752226.td-b3lyp_6-31+g(d).qchem.inp (generated)

000752226.td-b3lyp_6-31+g(d).gjf (generated)

000752226.td-b3lyp_6-31+g(d).firefly.inp (generated)

000752226.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000752226.mol 000752226.PUBCHEM 000752226.mol (via Jmol)
000752235.b3lyp_6-31g(d).inp

000752235.b3lyp_6-31g(d).qchem.inp (generated)

000752235.b3lyp_6-31g(d).gjf (generated)

000752235.b3lyp_6-31g(d).firefly.inp (generated)

000752235.b3lyp_6-31g(d).smash.inp (generated)

000752235.b3lyp_6-31g(d).nwchem.inp (generated) 000752235.b3lyp_6-31g(d).log.xz 000752235.td-b3lyp_6-31g+(d).inp 000752235.td-b3lyp_6-31g+(d).log.xz

000752235.td-b3lyp_6-31+g(d).qchem.inp (generated)

000752235.td-b3lyp_6-31+g(d).gjf (generated)

000752235.td-b3lyp_6-31+g(d).firefly.inp (generated)

000752235.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000752235.mol 000752235.PUBCHEM 000752235.mol (via Jmol)
000752256.b3lyp_6-31g(d).inp

000752256.b3lyp_6-31g(d).qchem.inp (generated)

000752256.b3lyp_6-31g(d).gjf (generated)

000752256.b3lyp_6-31g(d).firefly.inp (generated)

000752256.b3lyp_6-31g(d).smash.inp (generated)

000752256.b3lyp_6-31g(d).nwchem.inp (generated) 000752256.b3lyp_6-31g(d).log.xz 000752256.td-b3lyp_6-31g+(d).inp 000752256.td-b3lyp_6-31g+(d).log.xz

000752256.td-b3lyp_6-31+g(d).qchem.inp (generated)

000752256.td-b3lyp_6-31+g(d).gjf (generated)

000752256.td-b3lyp_6-31+g(d).firefly.inp (generated)

000752256.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000752256.mol 000752256.PUBCHEM 000752256.mol (via Jmol)
000752274.b3lyp_6-31g(d).inp

000752274.b3lyp_6-31g(d).qchem.inp (generated)

000752274.b3lyp_6-31g(d).gjf (generated)

000752274.b3lyp_6-31g(d).firefly.inp (generated)

000752274.b3lyp_6-31g(d).smash.inp (generated)

000752274.b3lyp_6-31g(d).nwchem.inp (generated) 000752274.b3lyp_6-31g(d).log.xz 000752274.td-b3lyp_6-31g+(d).inp 000752274.td-b3lyp_6-31g+(d).log.xz

000752274.td-b3lyp_6-31+g(d).qchem.inp (generated)

000752274.td-b3lyp_6-31+g(d).gjf (generated)

000752274.td-b3lyp_6-31+g(d).firefly.inp (generated)

000752274.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000752274.mol 000752274.PUBCHEM 000752274.mol (via Jmol)
000752309.b3lyp_6-31g(d).inp

000752309.b3lyp_6-31g(d).qchem.inp (generated)

000752309.b3lyp_6-31g(d).gjf (generated)

000752309.b3lyp_6-31g(d).firefly.inp (generated)

000752309.b3lyp_6-31g(d).smash.inp (generated)

000752309.b3lyp_6-31g(d).nwchem.inp (generated) 000752309.b3lyp_6-31g(d).log.xz 000752309.td-b3lyp_6-31g+(d).inp 000752309.td-b3lyp_6-31g+(d).log.xz

000752309.td-b3lyp_6-31+g(d).qchem.inp (generated)

000752309.td-b3lyp_6-31+g(d).gjf (generated)

000752309.td-b3lyp_6-31+g(d).firefly.inp (generated)

000752309.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000752309.mol 000752309.PUBCHEM 000752309.mol (via Jmol)
000752311.b3lyp_6-31g(d).inp

000752311.b3lyp_6-31g(d).qchem.inp (generated)

000752311.b3lyp_6-31g(d).gjf (generated)

000752311.b3lyp_6-31g(d).firefly.inp (generated)

000752311.b3lyp_6-31g(d).smash.inp (generated)

000752311.b3lyp_6-31g(d).nwchem.inp (generated) 000752311.b3lyp_6-31g(d).log.xz 000752311.td-b3lyp_6-31g+(d).inp 000752311.td-b3lyp_6-31g+(d).log.xz

000752311.td-b3lyp_6-31+g(d).qchem.inp (generated)

000752311.td-b3lyp_6-31+g(d).gjf (generated)

000752311.td-b3lyp_6-31+g(d).firefly.inp (generated)

000752311.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000752311.mol 000752311.PUBCHEM 000752311.mol (via Jmol)
000752313.b3lyp_6-31g(d).inp

000752313.b3lyp_6-31g(d).qchem.inp (generated)

000752313.b3lyp_6-31g(d).gjf (generated)

000752313.b3lyp_6-31g(d).firefly.inp (generated)

000752313.b3lyp_6-31g(d).smash.inp (generated)

000752313.b3lyp_6-31g(d).nwchem.inp (generated) 000752313.b3lyp_6-31g(d).log.xz 000752313.td-b3lyp_6-31g+(d).inp 000752313.td-b3lyp_6-31g+(d).log.xz

000752313.td-b3lyp_6-31+g(d).qchem.inp (generated)

000752313.td-b3lyp_6-31+g(d).gjf (generated)

000752313.td-b3lyp_6-31+g(d).firefly.inp (generated)

000752313.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000752313.mol 000752313.PUBCHEM 000752313.mol (via Jmol)
000752355.b3lyp_6-31g(d).inp

000752355.b3lyp_6-31g(d).qchem.inp (generated)

000752355.b3lyp_6-31g(d).gjf (generated)

000752355.b3lyp_6-31g(d).firefly.inp (generated)

000752355.b3lyp_6-31g(d).smash.inp (generated)

000752355.b3lyp_6-31g(d).nwchem.inp (generated) 000752355.b3lyp_6-31g(d).log.xz 000752355.td-b3lyp_6-31g+(d).inp 000752355.td-b3lyp_6-31g+(d).log.xz

000752355.td-b3lyp_6-31+g(d).qchem.inp (generated)

000752355.td-b3lyp_6-31+g(d).gjf (generated)

000752355.td-b3lyp_6-31+g(d).firefly.inp (generated)

000752355.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000752355.mol 000752355.PUBCHEM 000752355.mol (via Jmol)
000752401.b3lyp_6-31g(d).inp

000752401.b3lyp_6-31g(d).qchem.inp (generated)

000752401.b3lyp_6-31g(d).gjf (generated)

000752401.b3lyp_6-31g(d).firefly.inp (generated)

000752401.b3lyp_6-31g(d).smash.inp (generated)

000752401.b3lyp_6-31g(d).nwchem.inp (generated) 000752401.b3lyp_6-31g(d).log.xz 000752401.td-b3lyp_6-31g+(d).inp 000752401.td-b3lyp_6-31g+(d).log.xz

000752401.td-b3lyp_6-31+g(d).qchem.inp (generated)

000752401.td-b3lyp_6-31+g(d).gjf (generated)

000752401.td-b3lyp_6-31+g(d).firefly.inp (generated)

000752401.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000752401.mol 000752401.PUBCHEM 000752401.mol (via Jmol)
000752403.b3lyp_6-31g(d).inp

000752403.b3lyp_6-31g(d).qchem.inp (generated)

000752403.b3lyp_6-31g(d).gjf (generated)

000752403.b3lyp_6-31g(d).firefly.inp (generated)

000752403.b3lyp_6-31g(d).smash.inp (generated)

000752403.b3lyp_6-31g(d).nwchem.inp (generated) 000752403.b3lyp_6-31g(d).log.xz 000752403.td-b3lyp_6-31g+(d).inp 000752403.td-b3lyp_6-31g+(d).log.xz

000752403.td-b3lyp_6-31+g(d).qchem.inp (generated)

000752403.td-b3lyp_6-31+g(d).gjf (generated)

000752403.td-b3lyp_6-31+g(d).firefly.inp (generated)

000752403.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000752403.mol 000752403.PUBCHEM 000752403.mol (via Jmol)
000752420.b3lyp_6-31g(d).inp

000752420.b3lyp_6-31g(d).qchem.inp (generated)

000752420.b3lyp_6-31g(d).gjf (generated)

000752420.b3lyp_6-31g(d).firefly.inp (generated)

000752420.b3lyp_6-31g(d).smash.inp (generated)

000752420.b3lyp_6-31g(d).nwchem.inp (generated) 000752420.b3lyp_6-31g(d).log.xz 000752420.td-b3lyp_6-31g+(d).inp 000752420.td-b3lyp_6-31g+(d).log.xz

000752420.td-b3lyp_6-31+g(d).qchem.inp (generated)

000752420.td-b3lyp_6-31+g(d).gjf (generated)

000752420.td-b3lyp_6-31+g(d).firefly.inp (generated)

000752420.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000752420.mol 000752420.PUBCHEM 000752420.mol (via Jmol)
000752509.b3lyp_6-31g(d).inp

000752509.b3lyp_6-31g(d).qchem.inp (generated)

000752509.b3lyp_6-31g(d).gjf (generated)

000752509.b3lyp_6-31g(d).firefly.inp (generated)

000752509.b3lyp_6-31g(d).smash.inp (generated)

000752509.b3lyp_6-31g(d).nwchem.inp (generated) 000752509.b3lyp_6-31g(d).log.xz 000752509.mol 000752509.PUBCHEM 000752509.mol (via Jmol)
000752513.b3lyp_6-31g(d).inp

000752513.b3lyp_6-31g(d).qchem.inp (generated)

000752513.b3lyp_6-31g(d).gjf (generated)

000752513.b3lyp_6-31g(d).firefly.inp (generated)

000752513.b3lyp_6-31g(d).smash.inp (generated)

000752513.b3lyp_6-31g(d).nwchem.inp (generated) 000752513.b3lyp_6-31g(d).log.xz 000752513.td-b3lyp_6-31g+(d).inp 000752513.td-b3lyp_6-31g+(d).log.xz

000752513.td-b3lyp_6-31+g(d).qchem.inp (generated)

000752513.td-b3lyp_6-31+g(d).gjf (generated)

000752513.td-b3lyp_6-31+g(d).firefly.inp (generated)

000752513.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000752513.mol 000752513.PUBCHEM 000752513.mol (via Jmol)
000752603.b3lyp_6-31g(d).inp

000752603.b3lyp_6-31g(d).qchem.inp (generated)

000752603.b3lyp_6-31g(d).gjf (generated)

000752603.b3lyp_6-31g(d).firefly.inp (generated)

000752603.b3lyp_6-31g(d).smash.inp (generated)

000752603.b3lyp_6-31g(d).nwchem.inp (generated) 000752603.b3lyp_6-31g(d).log.xz 000752603.mol 000752603.PUBCHEM 000752603.mol (via Jmol)
000752604.b3lyp_6-31g(d).inp

000752604.b3lyp_6-31g(d).qchem.inp (generated)

000752604.b3lyp_6-31g(d).gjf (generated)

000752604.b3lyp_6-31g(d).firefly.inp (generated)

000752604.b3lyp_6-31g(d).smash.inp (generated)

000752604.b3lyp_6-31g(d).nwchem.inp (generated) 000752604.b3lyp_6-31g(d).log.xz 000752604.td-b3lyp_6-31g+(d).inp 000752604.td-b3lyp_6-31g+(d).log.xz

000752604.td-b3lyp_6-31+g(d).qchem.inp (generated)

000752604.td-b3lyp_6-31+g(d).gjf (generated)

000752604.td-b3lyp_6-31+g(d).firefly.inp (generated)

000752604.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000752604.mol 000752604.PUBCHEM 000752604.mol (via Jmol)
000752659.b3lyp_6-31g(d).inp

000752659.b3lyp_6-31g(d).qchem.inp (generated)

000752659.b3lyp_6-31g(d).gjf (generated)

000752659.b3lyp_6-31g(d).firefly.inp (generated)

000752659.b3lyp_6-31g(d).smash.inp (generated)

000752659.b3lyp_6-31g(d).nwchem.inp (generated) 000752659.b3lyp_6-31g(d).log.xz 000752659.td-b3lyp_6-31g+(d).inp 000752659.td-b3lyp_6-31g+(d).log.xz

000752659.td-b3lyp_6-31+g(d).qchem.inp (generated)

000752659.td-b3lyp_6-31+g(d).gjf (generated)

000752659.td-b3lyp_6-31+g(d).firefly.inp (generated)

000752659.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000752659.mol 000752659.PUBCHEM 000752659.mol (via Jmol)
000752660.b3lyp_6-31g(d).inp

000752660.b3lyp_6-31g(d).qchem.inp (generated)

000752660.b3lyp_6-31g(d).gjf (generated)

000752660.b3lyp_6-31g(d).firefly.inp (generated)

000752660.b3lyp_6-31g(d).smash.inp (generated)

000752660.b3lyp_6-31g(d).nwchem.inp (generated) 000752660.b3lyp_6-31g(d).log.xz 000752660.td-b3lyp_6-31g+(d).inp 000752660.td-b3lyp_6-31g+(d).log.xz

000752660.td-b3lyp_6-31+g(d).qchem.inp (generated)

000752660.td-b3lyp_6-31+g(d).gjf (generated)

000752660.td-b3lyp_6-31+g(d).firefly.inp (generated)

000752660.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000752660.mol 000752660.PUBCHEM 000752660.mol (via Jmol)
000752661.b3lyp_6-31g(d).inp

000752661.b3lyp_6-31g(d).qchem.inp (generated)

000752661.b3lyp_6-31g(d).gjf (generated)

000752661.b3lyp_6-31g(d).firefly.inp (generated)

000752661.b3lyp_6-31g(d).smash.inp (generated)

000752661.b3lyp_6-31g(d).nwchem.inp (generated) 000752661.b3lyp_6-31g(d).log.xz 000752661.td-b3lyp_6-31g+(d).inp 000752661.td-b3lyp_6-31g+(d).log.xz

000752661.td-b3lyp_6-31+g(d).qchem.inp (generated)

000752661.td-b3lyp_6-31+g(d).gjf (generated)

000752661.td-b3lyp_6-31+g(d).firefly.inp (generated)

000752661.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000752661.mol 000752661.PUBCHEM 000752661.mol (via Jmol)
000752673.b3lyp_6-31g(d).inp

000752673.b3lyp_6-31g(d).qchem.inp (generated)

000752673.b3lyp_6-31g(d).gjf (generated)

000752673.b3lyp_6-31g(d).firefly.inp (generated)

000752673.b3lyp_6-31g(d).smash.inp (generated)

000752673.b3lyp_6-31g(d).nwchem.inp (generated) 000752673.b3lyp_6-31g(d).log.xz 000752673.td-b3lyp_6-31g+(d).inp 000752673.td-b3lyp_6-31g+(d).log.xz

000752673.td-b3lyp_6-31+g(d).qchem.inp (generated)

000752673.td-b3lyp_6-31+g(d).gjf (generated)

000752673.td-b3lyp_6-31+g(d).firefly.inp (generated)

000752673.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000752673.mol 000752673.PUBCHEM 000752673.mol (via Jmol)
000752693.b3lyp_6-31g(d).inp

000752693.b3lyp_6-31g(d).qchem.inp (generated)

000752693.b3lyp_6-31g(d).gjf (generated)

000752693.b3lyp_6-31g(d).firefly.inp (generated)

000752693.b3lyp_6-31g(d).smash.inp (generated)

000752693.b3lyp_6-31g(d).nwchem.inp (generated) 000752693.b3lyp_6-31g(d).log.xz 000752693.mol 000752693.PUBCHEM 000752693.mol (via Jmol)
000752695.b3lyp_6-31g(d).inp

000752695.b3lyp_6-31g(d).qchem.inp (generated)

000752695.b3lyp_6-31g(d).gjf (generated)

000752695.b3lyp_6-31g(d).firefly.inp (generated)

000752695.b3lyp_6-31g(d).smash.inp (generated)

000752695.b3lyp_6-31g(d).nwchem.inp (generated) 000752695.b3lyp_6-31g(d).log.xz 000752695.mol 000752695.PUBCHEM 000752695.mol (via Jmol)
000752696.b3lyp_6-31g(d).inp

000752696.b3lyp_6-31g(d).qchem.inp (generated)

000752696.b3lyp_6-31g(d).gjf (generated)

000752696.b3lyp_6-31g(d).firefly.inp (generated)

000752696.b3lyp_6-31g(d).smash.inp (generated)

000752696.b3lyp_6-31g(d).nwchem.inp (generated) 000752696.b3lyp_6-31g(d).log.xz 000752696.mol 000752696.PUBCHEM 000752696.mol (via Jmol)
000752697.b3lyp_6-31g(d).inp

000752697.b3lyp_6-31g(d).qchem.inp (generated)

000752697.b3lyp_6-31g(d).gjf (generated)

000752697.b3lyp_6-31g(d).firefly.inp (generated)

000752697.b3lyp_6-31g(d).smash.inp (generated)

000752697.b3lyp_6-31g(d).nwchem.inp (generated) 000752697.b3lyp_6-31g(d).log.xz 000752697.td-b3lyp_6-31g+(d).inp 000752697.td-b3lyp_6-31g+(d).log.xz

000752697.td-b3lyp_6-31+g(d).qchem.inp (generated)

000752697.td-b3lyp_6-31+g(d).gjf (generated)

000752697.td-b3lyp_6-31+g(d).firefly.inp (generated)

000752697.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000752697.mol 000752697.PUBCHEM 000752697.mol (via Jmol)
000752699.b3lyp_6-31g(d).inp

000752699.b3lyp_6-31g(d).qchem.inp (generated)

000752699.b3lyp_6-31g(d).gjf (generated)

000752699.b3lyp_6-31g(d).firefly.inp (generated)

000752699.b3lyp_6-31g(d).smash.inp (generated)

000752699.b3lyp_6-31g(d).nwchem.inp (generated) 000752699.b3lyp_6-31g(d).log.xz 000752699.td-b3lyp_6-31g+(d).inp 000752699.td-b3lyp_6-31g+(d).log.xz

000752699.td-b3lyp_6-31+g(d).qchem.inp (generated)

000752699.td-b3lyp_6-31+g(d).gjf (generated)

000752699.td-b3lyp_6-31+g(d).firefly.inp (generated)

000752699.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000752699.mol 000752699.PUBCHEM 000752699.mol (via Jmol)
000752743.b3lyp_6-31g(d).inp

000752743.b3lyp_6-31g(d).qchem.inp (generated)

000752743.b3lyp_6-31g(d).gjf (generated)

000752743.b3lyp_6-31g(d).firefly.inp (generated)

000752743.b3lyp_6-31g(d).smash.inp (generated)

000752743.b3lyp_6-31g(d).nwchem.inp (generated) 000752743.b3lyp_6-31g(d).log.xz 000752743.td-b3lyp_6-31g+(d).inp 000752743.td-b3lyp_6-31g+(d).log.xz

000752743.td-b3lyp_6-31+g(d).qchem.inp (generated)

000752743.td-b3lyp_6-31+g(d).gjf (generated)

000752743.td-b3lyp_6-31+g(d).firefly.inp (generated)

000752743.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000752743.mol 000752743.PUBCHEM 000752743.mol (via Jmol)
000752762.b3lyp_6-31g(d).inp

000752762.b3lyp_6-31g(d).qchem.inp (generated)

000752762.b3lyp_6-31g(d).gjf (generated)

000752762.b3lyp_6-31g(d).firefly.inp (generated)

000752762.b3lyp_6-31g(d).smash.inp (generated)

000752762.b3lyp_6-31g(d).nwchem.inp (generated) 000752762.b3lyp_6-31g(d).log.xz 000752762.td-b3lyp_6-31g+(d).inp 000752762.td-b3lyp_6-31g+(d).log.xz

000752762.td-b3lyp_6-31+g(d).qchem.inp (generated)

000752762.td-b3lyp_6-31+g(d).gjf (generated)

000752762.td-b3lyp_6-31+g(d).firefly.inp (generated)

000752762.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000752762.mol 000752762.PUBCHEM 000752762.mol (via Jmol)
000752781.b3lyp_6-31g(d).inp

000752781.b3lyp_6-31g(d).qchem.inp (generated)

000752781.b3lyp_6-31g(d).gjf (generated)

000752781.b3lyp_6-31g(d).firefly.inp (generated)

000752781.b3lyp_6-31g(d).smash.inp (generated)

000752781.b3lyp_6-31g(d).nwchem.inp (generated) 000752781.b3lyp_6-31g(d).log.xz 000752781.td-b3lyp_6-31g+(d).inp 000752781.td-b3lyp_6-31g+(d).log.xz

000752781.td-b3lyp_6-31+g(d).qchem.inp (generated)

000752781.td-b3lyp_6-31+g(d).gjf (generated)

000752781.td-b3lyp_6-31+g(d).firefly.inp (generated)

000752781.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000752781.mol 000752781.PUBCHEM 000752781.mol (via Jmol)
000752787.b3lyp_6-31g(d).inp

000752787.b3lyp_6-31g(d).qchem.inp (generated)

000752787.b3lyp_6-31g(d).gjf (generated)

000752787.b3lyp_6-31g(d).firefly.inp (generated)

000752787.b3lyp_6-31g(d).smash.inp (generated)

000752787.b3lyp_6-31g(d).nwchem.inp (generated) 000752787.b3lyp_6-31g(d).log.xz 000752787.td-b3lyp_6-31g+(d).inp 000752787.td-b3lyp_6-31g+(d).log.xz

000752787.td-b3lyp_6-31+g(d).qchem.inp (generated)

000752787.td-b3lyp_6-31+g(d).gjf (generated)

000752787.td-b3lyp_6-31+g(d).firefly.inp (generated)

000752787.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000752787.mol 000752787.PUBCHEM 000752787.mol (via Jmol)
000752789.b3lyp_6-31g(d).inp

000752789.b3lyp_6-31g(d).qchem.inp (generated)

000752789.b3lyp_6-31g(d).gjf (generated)

000752789.b3lyp_6-31g(d).firefly.inp (generated)

000752789.b3lyp_6-31g(d).smash.inp (generated)

000752789.b3lyp_6-31g(d).nwchem.inp (generated) 000752789.b3lyp_6-31g(d).log.xz 000752789.td-b3lyp_6-31g+(d).inp 000752789.td-b3lyp_6-31g+(d).log.xz

000752789.td-b3lyp_6-31+g(d).qchem.inp (generated)

000752789.td-b3lyp_6-31+g(d).gjf (generated)

000752789.td-b3lyp_6-31+g(d).firefly.inp (generated)

000752789.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000752789.mol 000752789.PUBCHEM 000752789.mol (via Jmol)
000752800.b3lyp_6-31g(d).inp

000752800.b3lyp_6-31g(d).qchem.inp (generated)

000752800.b3lyp_6-31g(d).gjf (generated)

000752800.b3lyp_6-31g(d).firefly.inp (generated)

000752800.b3lyp_6-31g(d).smash.inp (generated)

000752800.b3lyp_6-31g(d).nwchem.inp (generated) 000752800.b3lyp_6-31g(d).log.xz 000752800.mol 000752800.PUBCHEM 000752800.mol (via Jmol)
000752807.b3lyp_6-31g(d).inp

000752807.b3lyp_6-31g(d).qchem.inp (generated)

000752807.b3lyp_6-31g(d).gjf (generated)

000752807.b3lyp_6-31g(d).firefly.inp (generated)

000752807.b3lyp_6-31g(d).smash.inp (generated)

000752807.b3lyp_6-31g(d).nwchem.inp (generated) 000752807.b3lyp_6-31g(d).log.xz 000752807.td-b3lyp_6-31g+(d).inp 000752807.td-b3lyp_6-31g+(d).log.xz

000752807.td-b3lyp_6-31+g(d).qchem.inp (generated)

000752807.td-b3lyp_6-31+g(d).gjf (generated)

000752807.td-b3lyp_6-31+g(d).firefly.inp (generated)

000752807.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000752807.mol 000752807.PUBCHEM 000752807.mol (via Jmol)
000752835.b3lyp_6-31g(d).inp

000752835.b3lyp_6-31g(d).qchem.inp (generated)

000752835.b3lyp_6-31g(d).gjf (generated)

000752835.b3lyp_6-31g(d).firefly.inp (generated)

000752835.b3lyp_6-31g(d).smash.inp (generated)

000752835.b3lyp_6-31g(d).nwchem.inp (generated) 000752835.b3lyp_6-31g(d).log.xz 000752835.td-b3lyp_6-31g+(d).inp 000752835.td-b3lyp_6-31g+(d).log.xz

000752835.td-b3lyp_6-31+g(d).qchem.inp (generated)

000752835.td-b3lyp_6-31+g(d).gjf (generated)

000752835.td-b3lyp_6-31+g(d).firefly.inp (generated)

000752835.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000752835.mol 000752835.PUBCHEM 000752835.mol (via Jmol)
000752837.b3lyp_6-31g(d).inp

000752837.b3lyp_6-31g(d).qchem.inp (generated)

000752837.b3lyp_6-31g(d).gjf (generated)

000752837.b3lyp_6-31g(d).firefly.inp (generated)

000752837.b3lyp_6-31g(d).smash.inp (generated)

000752837.b3lyp_6-31g(d).nwchem.inp (generated) 000752837.b3lyp_6-31g(d).log.xz 000752837.mol 000752837.PUBCHEM 000752837.mol (via Jmol)
000752838.b3lyp_6-31g(d).inp

000752838.b3lyp_6-31g(d).qchem.inp (generated)

000752838.b3lyp_6-31g(d).gjf (generated)

000752838.b3lyp_6-31g(d).firefly.inp (generated)

000752838.b3lyp_6-31g(d).smash.inp (generated)

000752838.b3lyp_6-31g(d).nwchem.inp (generated) 000752838.b3lyp_6-31g(d).log.xz 000752838.td-b3lyp_6-31g+(d).inp 000752838.td-b3lyp_6-31g+(d).log.xz

000752838.td-b3lyp_6-31+g(d).qchem.inp (generated)

000752838.td-b3lyp_6-31+g(d).gjf (generated)

000752838.td-b3lyp_6-31+g(d).firefly.inp (generated)

000752838.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000752838.mol 000752838.PUBCHEM 000752838.mol (via Jmol)
000752902.b3lyp_6-31g(d).inp

000752902.b3lyp_6-31g(d).qchem.inp (generated)

000752902.b3lyp_6-31g(d).gjf (generated)

000752902.b3lyp_6-31g(d).firefly.inp (generated)

000752902.b3lyp_6-31g(d).smash.inp (generated)

000752902.b3lyp_6-31g(d).nwchem.inp (generated) 000752902.b3lyp_6-31g(d).log.xz 000752902.mol 000752902.PUBCHEM 000752902.mol (via Jmol)
000752905.b3lyp_6-31g(d).inp

000752905.b3lyp_6-31g(d).qchem.inp (generated)

000752905.b3lyp_6-31g(d).gjf (generated)

000752905.b3lyp_6-31g(d).firefly.inp (generated)

000752905.b3lyp_6-31g(d).smash.inp (generated)

000752905.b3lyp_6-31g(d).nwchem.inp (generated) 000752905.b3lyp_6-31g(d).log.xz 000752905.td-b3lyp_6-31g+(d).inp 000752905.td-b3lyp_6-31g+(d).log.xz

000752905.td-b3lyp_6-31+g(d).qchem.inp (generated)

000752905.td-b3lyp_6-31+g(d).gjf (generated)

000752905.td-b3lyp_6-31+g(d).firefly.inp (generated)

000752905.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000752905.mol 000752905.PUBCHEM 000752905.mol (via Jmol)
000752926.b3lyp_6-31g(d).inp

000752926.b3lyp_6-31g(d).qchem.inp (generated)

000752926.b3lyp_6-31g(d).gjf (generated)

000752926.b3lyp_6-31g(d).firefly.inp (generated)

000752926.b3lyp_6-31g(d).smash.inp (generated)

000752926.b3lyp_6-31g(d).nwchem.inp (generated) 000752926.b3lyp_6-31g(d).log.xz 000752926.td-b3lyp_6-31g+(d).inp 000752926.td-b3lyp_6-31g+(d).log.xz

000752926.td-b3lyp_6-31+g(d).qchem.inp (generated)

000752926.td-b3lyp_6-31+g(d).gjf (generated)

000752926.td-b3lyp_6-31+g(d).firefly.inp (generated)

000752926.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000752926.mol 000752926.PUBCHEM 000752926.mol (via Jmol)
000752929.b3lyp_6-31g(d).inp

000752929.b3lyp_6-31g(d).qchem.inp (generated)

000752929.b3lyp_6-31g(d).gjf (generated)

000752929.b3lyp_6-31g(d).firefly.inp (generated)

000752929.b3lyp_6-31g(d).smash.inp (generated)

000752929.b3lyp_6-31g(d).nwchem.inp (generated) 000752929.b3lyp_6-31g(d).log.xz 000752929.td-b3lyp_6-31g+(d).inp 000752929.td-b3lyp_6-31g+(d).log.xz

000752929.td-b3lyp_6-31+g(d).qchem.inp (generated)

000752929.td-b3lyp_6-31+g(d).gjf (generated)

000752929.td-b3lyp_6-31+g(d).firefly.inp (generated)

000752929.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000752929.mol 000752929.PUBCHEM 000752929.mol (via Jmol)
000753006.b3lyp_6-31g(d).inp

000753006.b3lyp_6-31g(d).qchem.inp (generated)

000753006.b3lyp_6-31g(d).gjf (generated)

000753006.b3lyp_6-31g(d).firefly.inp (generated)

000753006.b3lyp_6-31g(d).smash.inp (generated)

000753006.b3lyp_6-31g(d).nwchem.inp (generated) 000753006.b3lyp_6-31g(d).log.xz 000753006.td-b3lyp_6-31g+(d).inp 000753006.td-b3lyp_6-31g+(d).log.xz

000753006.td-b3lyp_6-31+g(d).qchem.inp (generated)

000753006.td-b3lyp_6-31+g(d).gjf (generated)

000753006.td-b3lyp_6-31+g(d).firefly.inp (generated)

000753006.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000753006.mol 000753006.PUBCHEM 000753006.mol (via Jmol)
000753014.b3lyp_6-31g(d).inp

000753014.b3lyp_6-31g(d).qchem.inp (generated)

000753014.b3lyp_6-31g(d).gjf (generated)

000753014.b3lyp_6-31g(d).firefly.inp (generated)

000753014.b3lyp_6-31g(d).smash.inp (generated)

000753014.b3lyp_6-31g(d).nwchem.inp (generated) 000753014.b3lyp_6-31g(d).log.xz 000753014.td-b3lyp_6-31g+(d).inp 000753014.td-b3lyp_6-31g+(d).log.xz

000753014.td-b3lyp_6-31+g(d).qchem.inp (generated)

000753014.td-b3lyp_6-31+g(d).gjf (generated)

000753014.td-b3lyp_6-31+g(d).firefly.inp (generated)

000753014.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000753014.mol 000753014.PUBCHEM 000753014.mol (via Jmol)
000753023.b3lyp_6-31g(d).inp

000753023.b3lyp_6-31g(d).qchem.inp (generated)

000753023.b3lyp_6-31g(d).gjf (generated)

000753023.b3lyp_6-31g(d).firefly.inp (generated)

000753023.b3lyp_6-31g(d).smash.inp (generated)

000753023.b3lyp_6-31g(d).nwchem.inp (generated) 000753023.b3lyp_6-31g(d).log.xz 000753023.td-b3lyp_6-31g+(d).inp 000753023.td-b3lyp_6-31g+(d).log.xz

000753023.td-b3lyp_6-31+g(d).qchem.inp (generated)

000753023.td-b3lyp_6-31+g(d).gjf (generated)

000753023.td-b3lyp_6-31+g(d).firefly.inp (generated)

000753023.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000753023.mol 000753023.PUBCHEM 000753023.mol (via Jmol)
000753058.b3lyp_6-31g(d).inp

000753058.b3lyp_6-31g(d).qchem.inp (generated)

000753058.b3lyp_6-31g(d).gjf (generated)

000753058.b3lyp_6-31g(d).firefly.inp (generated)

000753058.b3lyp_6-31g(d).smash.inp (generated)

000753058.b3lyp_6-31g(d).nwchem.inp (generated) 000753058.b3lyp_6-31g(d).log.xz 000753058.td-b3lyp_6-31g+(d).inp 000753058.td-b3lyp_6-31g+(d).log.xz

000753058.td-b3lyp_6-31+g(d).qchem.inp (generated)

000753058.td-b3lyp_6-31+g(d).gjf (generated)

000753058.td-b3lyp_6-31+g(d).firefly.inp (generated)

000753058.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000753058.mol 000753058.PUBCHEM 000753058.mol (via Jmol)
000753093.b3lyp_6-31g(d).inp

000753093.b3lyp_6-31g(d).qchem.inp (generated)

000753093.b3lyp_6-31g(d).gjf (generated)

000753093.b3lyp_6-31g(d).firefly.inp (generated)

000753093.b3lyp_6-31g(d).smash.inp (generated)

000753093.b3lyp_6-31g(d).nwchem.inp (generated) 000753093.b3lyp_6-31g(d).log.xz 000753093.td-b3lyp_6-31g+(d).inp 000753093.td-b3lyp_6-31g+(d).log.xz

000753093.td-b3lyp_6-31+g(d).qchem.inp (generated)

000753093.td-b3lyp_6-31+g(d).gjf (generated)

000753093.td-b3lyp_6-31+g(d).firefly.inp (generated)

000753093.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000753093.mol 000753093.PUBCHEM 000753093.mol (via Jmol)
000753097.b3lyp_6-31g(d).inp

000753097.b3lyp_6-31g(d).qchem.inp (generated)

000753097.b3lyp_6-31g(d).gjf (generated)

000753097.b3lyp_6-31g(d).firefly.inp (generated)

000753097.b3lyp_6-31g(d).smash.inp (generated)

000753097.b3lyp_6-31g(d).nwchem.inp (generated) 000753097.b3lyp_6-31g(d).log.xz 000753097.td-b3lyp_6-31g+(d).inp 000753097.td-b3lyp_6-31g+(d).log.xz

000753097.td-b3lyp_6-31+g(d).qchem.inp (generated)

000753097.td-b3lyp_6-31+g(d).gjf (generated)

000753097.td-b3lyp_6-31+g(d).firefly.inp (generated)

000753097.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000753097.mol 000753097.PUBCHEM 000753097.mol (via Jmol)
000753099.b3lyp_6-31g(d).inp

000753099.b3lyp_6-31g(d).qchem.inp (generated)

000753099.b3lyp_6-31g(d).gjf (generated)

000753099.b3lyp_6-31g(d).firefly.inp (generated)

000753099.b3lyp_6-31g(d).smash.inp (generated)

000753099.b3lyp_6-31g(d).nwchem.inp (generated) 000753099.b3lyp_6-31g(d).log.xz 000753099.td-b3lyp_6-31g+(d).inp 000753099.td-b3lyp_6-31g+(d).log.xz

000753099.td-b3lyp_6-31+g(d).qchem.inp (generated)

000753099.td-b3lyp_6-31+g(d).gjf (generated)

000753099.td-b3lyp_6-31+g(d).firefly.inp (generated)

000753099.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000753099.mol 000753099.PUBCHEM 000753099.mol (via Jmol)
000753103.b3lyp_6-31g(d).inp

000753103.b3lyp_6-31g(d).qchem.inp (generated)

000753103.b3lyp_6-31g(d).gjf (generated)

000753103.b3lyp_6-31g(d).firefly.inp (generated)

000753103.b3lyp_6-31g(d).smash.inp (generated)

000753103.b3lyp_6-31g(d).nwchem.inp (generated) 000753103.b3lyp_6-31g(d).log.xz 000753103.td-b3lyp_6-31g+(d).inp 000753103.td-b3lyp_6-31g+(d).log.xz

000753103.td-b3lyp_6-31+g(d).qchem.inp (generated)

000753103.td-b3lyp_6-31+g(d).gjf (generated)

000753103.td-b3lyp_6-31+g(d).firefly.inp (generated)

000753103.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000753103.mol 000753103.PUBCHEM 000753103.mol (via Jmol)
000753163.b3lyp_6-31g(d).inp

000753163.b3lyp_6-31g(d).qchem.inp (generated)

000753163.b3lyp_6-31g(d).gjf (generated)

000753163.b3lyp_6-31g(d).firefly.inp (generated)

000753163.b3lyp_6-31g(d).smash.inp (generated)

000753163.b3lyp_6-31g(d).nwchem.inp (generated) 000753163.b3lyp_6-31g(d).log.xz 000753163.mol 000753163.PUBCHEM 000753163.mol (via Jmol)
000753256.b3lyp_6-31g(d).inp

000753256.b3lyp_6-31g(d).qchem.inp (generated)

000753256.b3lyp_6-31g(d).gjf (generated)

000753256.b3lyp_6-31g(d).firefly.inp (generated)

000753256.b3lyp_6-31g(d).smash.inp (generated)

000753256.b3lyp_6-31g(d).nwchem.inp (generated) 000753256.b3lyp_6-31g(d).log.xz 000753256.td-b3lyp_6-31g+(d).inp 000753256.td-b3lyp_6-31g+(d).log.xz

000753256.td-b3lyp_6-31+g(d).qchem.inp (generated)

000753256.td-b3lyp_6-31+g(d).gjf (generated)

000753256.td-b3lyp_6-31+g(d).firefly.inp (generated)

000753256.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000753256.mol 000753256.PUBCHEM 000753256.mol (via Jmol)
000753273.b3lyp_6-31g(d).inp

000753273.b3lyp_6-31g(d).qchem.inp (generated)

000753273.b3lyp_6-31g(d).gjf (generated)

000753273.b3lyp_6-31g(d).firefly.inp (generated)

000753273.b3lyp_6-31g(d).smash.inp (generated)

000753273.b3lyp_6-31g(d).nwchem.inp (generated) 000753273.b3lyp_6-31g(d).log.xz 000753273.mol 000753273.PUBCHEM 000753273.mol (via Jmol)
000753309.b3lyp_6-31g(d).inp

000753309.b3lyp_6-31g(d).qchem.inp (generated)

000753309.b3lyp_6-31g(d).gjf (generated)

000753309.b3lyp_6-31g(d).firefly.inp (generated)

000753309.b3lyp_6-31g(d).smash.inp (generated)

000753309.b3lyp_6-31g(d).nwchem.inp (generated) 000753309.b3lyp_6-31g(d).log.xz 000753309.td-b3lyp_6-31g+(d).inp 000753309.td-b3lyp_6-31g+(d).log.xz

000753309.td-b3lyp_6-31+g(d).qchem.inp (generated)

000753309.td-b3lyp_6-31+g(d).gjf (generated)

000753309.td-b3lyp_6-31+g(d).firefly.inp (generated)

000753309.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000753309.mol 000753309.PUBCHEM 000753309.mol (via Jmol)
000753339.b3lyp_6-31g(d).inp

000753339.b3lyp_6-31g(d).qchem.inp (generated)

000753339.b3lyp_6-31g(d).gjf (generated)

000753339.b3lyp_6-31g(d).firefly.inp (generated)

000753339.b3lyp_6-31g(d).smash.inp (generated)

000753339.b3lyp_6-31g(d).nwchem.inp (generated) 000753339.b3lyp_6-31g(d).log.xz 000753339.td-b3lyp_6-31g+(d).inp 000753339.td-b3lyp_6-31g+(d).log.xz

000753339.td-b3lyp_6-31+g(d).qchem.inp (generated)

000753339.td-b3lyp_6-31+g(d).gjf (generated)

000753339.td-b3lyp_6-31+g(d).firefly.inp (generated)

000753339.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000753339.mol 000753339.PUBCHEM 000753339.mol (via Jmol)
000753340.b3lyp_6-31g(d).inp

000753340.b3lyp_6-31g(d).qchem.inp (generated)

000753340.b3lyp_6-31g(d).gjf (generated)

000753340.b3lyp_6-31g(d).firefly.inp (generated)

000753340.b3lyp_6-31g(d).smash.inp (generated)

000753340.b3lyp_6-31g(d).nwchem.inp (generated) 000753340.b3lyp_6-31g(d).log.xz 000753340.td-b3lyp_6-31g+(d).inp 000753340.td-b3lyp_6-31g+(d).log.xz

000753340.td-b3lyp_6-31+g(d).qchem.inp (generated)

000753340.td-b3lyp_6-31+g(d).gjf (generated)

000753340.td-b3lyp_6-31+g(d).firefly.inp (generated)

000753340.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000753340.mol 000753340.PUBCHEM 000753340.mol (via Jmol)
000753342.b3lyp_6-31g(d).inp

000753342.b3lyp_6-31g(d).qchem.inp (generated)

000753342.b3lyp_6-31g(d).gjf (generated)

000753342.b3lyp_6-31g(d).firefly.inp (generated)

000753342.b3lyp_6-31g(d).smash.inp (generated)

000753342.b3lyp_6-31g(d).nwchem.inp (generated) 000753342.b3lyp_6-31g(d).log.xz 000753342.td-b3lyp_6-31g+(d).inp 000753342.td-b3lyp_6-31g+(d).log.xz

000753342.td-b3lyp_6-31+g(d).qchem.inp (generated)

000753342.td-b3lyp_6-31+g(d).gjf (generated)

000753342.td-b3lyp_6-31+g(d).firefly.inp (generated)

000753342.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000753342.mol 000753342.PUBCHEM 000753342.mol (via Jmol)
000753344.b3lyp_6-31g(d).inp

000753344.b3lyp_6-31g(d).qchem.inp (generated)

000753344.b3lyp_6-31g(d).gjf (generated)

000753344.b3lyp_6-31g(d).firefly.inp (generated)

000753344.b3lyp_6-31g(d).smash.inp (generated)

000753344.b3lyp_6-31g(d).nwchem.inp (generated) 000753344.b3lyp_6-31g(d).log.xz 000753344.td-b3lyp_6-31g+(d).inp 000753344.td-b3lyp_6-31g+(d).log.xz

000753344.td-b3lyp_6-31+g(d).qchem.inp (generated)

000753344.td-b3lyp_6-31+g(d).gjf (generated)

000753344.td-b3lyp_6-31+g(d).firefly.inp (generated)

000753344.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000753344.mol 000753344.PUBCHEM 000753344.mol (via Jmol)
000753346.b3lyp_6-31g(d).inp

000753346.b3lyp_6-31g(d).qchem.inp (generated)

000753346.b3lyp_6-31g(d).gjf (generated)

000753346.b3lyp_6-31g(d).firefly.inp (generated)

000753346.b3lyp_6-31g(d).smash.inp (generated)

000753346.b3lyp_6-31g(d).nwchem.inp (generated) 000753346.b3lyp_6-31g(d).log.xz 000753346.td-b3lyp_6-31g+(d).inp 000753346.td-b3lyp_6-31g+(d).log.xz

000753346.td-b3lyp_6-31+g(d).qchem.inp (generated)

000753346.td-b3lyp_6-31+g(d).gjf (generated)

000753346.td-b3lyp_6-31+g(d).firefly.inp (generated)

000753346.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000753346.mol 000753346.PUBCHEM 000753346.mol (via Jmol)
000753349.b3lyp_6-31g(d).inp

000753349.b3lyp_6-31g(d).qchem.inp (generated)

000753349.b3lyp_6-31g(d).gjf (generated)

000753349.b3lyp_6-31g(d).firefly.inp (generated)

000753349.b3lyp_6-31g(d).smash.inp (generated)

000753349.b3lyp_6-31g(d).nwchem.inp (generated) 000753349.b3lyp_6-31g(d).log.xz 000753349.td-b3lyp_6-31g+(d).inp 000753349.td-b3lyp_6-31g+(d).log.xz

000753349.td-b3lyp_6-31+g(d).qchem.inp (generated)

000753349.td-b3lyp_6-31+g(d).gjf (generated)

000753349.td-b3lyp_6-31+g(d).firefly.inp (generated)

000753349.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000753349.mol 000753349.PUBCHEM 000753349.mol (via Jmol)
000753350.b3lyp_6-31g(d).inp

000753350.b3lyp_6-31g(d).qchem.inp (generated)

000753350.b3lyp_6-31g(d).gjf (generated)

000753350.b3lyp_6-31g(d).firefly.inp (generated)

000753350.b3lyp_6-31g(d).smash.inp (generated)

000753350.b3lyp_6-31g(d).nwchem.inp (generated) 000753350.b3lyp_6-31g(d).log.xz 000753350.td-b3lyp_6-31g+(d).inp 000753350.td-b3lyp_6-31g+(d).log.xz

000753350.td-b3lyp_6-31+g(d).qchem.inp (generated)

000753350.td-b3lyp_6-31+g(d).gjf (generated)

000753350.td-b3lyp_6-31+g(d).firefly.inp (generated)

000753350.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000753350.mol 000753350.PUBCHEM 000753350.mol (via Jmol)
000753361.b3lyp_6-31g(d).inp

000753361.b3lyp_6-31g(d).qchem.inp (generated)

000753361.b3lyp_6-31g(d).gjf (generated)

000753361.b3lyp_6-31g(d).firefly.inp (generated)

000753361.b3lyp_6-31g(d).smash.inp (generated)

000753361.b3lyp_6-31g(d).nwchem.inp (generated) 000753361.b3lyp_6-31g(d).log.xz 000753361.td-b3lyp_6-31g+(d).inp 000753361.td-b3lyp_6-31g+(d).log.xz

000753361.td-b3lyp_6-31+g(d).qchem.inp (generated)

000753361.td-b3lyp_6-31+g(d).gjf (generated)

000753361.td-b3lyp_6-31+g(d).firefly.inp (generated)

000753361.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000753361.mol 000753361.PUBCHEM 000753361.mol (via Jmol)
000753441.b3lyp_6-31g(d).inp

000753441.b3lyp_6-31g(d).qchem.inp (generated)

000753441.b3lyp_6-31g(d).gjf (generated)

000753441.b3lyp_6-31g(d).firefly.inp (generated)

000753441.b3lyp_6-31g(d).smash.inp (generated)

000753441.b3lyp_6-31g(d).nwchem.inp (generated) 000753441.b3lyp_6-31g(d).log.xz 000753441.td-b3lyp_6-31g+(d).inp 000753441.td-b3lyp_6-31g+(d).log.xz

000753441.td-b3lyp_6-31+g(d).qchem.inp (generated)

000753441.td-b3lyp_6-31+g(d).gjf (generated)

000753441.td-b3lyp_6-31+g(d).firefly.inp (generated)

000753441.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000753441.mol 000753441.PUBCHEM 000753441.mol (via Jmol)
000753445.b3lyp_6-31g(d).inp

000753445.b3lyp_6-31g(d).qchem.inp (generated)

000753445.b3lyp_6-31g(d).gjf (generated)

000753445.b3lyp_6-31g(d).firefly.inp (generated)

000753445.b3lyp_6-31g(d).smash.inp (generated)

000753445.b3lyp_6-31g(d).nwchem.inp (generated) 000753445.b3lyp_6-31g(d).log.xz 000753445.td-b3lyp_6-31g+(d).inp 000753445.td-b3lyp_6-31g+(d).log.xz

000753445.td-b3lyp_6-31+g(d).qchem.inp (generated)

000753445.td-b3lyp_6-31+g(d).gjf (generated)

000753445.td-b3lyp_6-31+g(d).firefly.inp (generated)

000753445.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000753445.mol 000753445.PUBCHEM 000753445.mol (via Jmol)
000753449.b3lyp_6-31g(d).inp

000753449.b3lyp_6-31g(d).qchem.inp (generated)

000753449.b3lyp_6-31g(d).gjf (generated)

000753449.b3lyp_6-31g(d).firefly.inp (generated)

000753449.b3lyp_6-31g(d).smash.inp (generated)

000753449.b3lyp_6-31g(d).nwchem.inp (generated) 000753449.b3lyp_6-31g(d).log.xz 000753449.mol 000753449.PUBCHEM 000753449.mol (via Jmol)
000753464.b3lyp_6-31g(d).inp

000753464.b3lyp_6-31g(d).qchem.inp (generated)

000753464.b3lyp_6-31g(d).gjf (generated)

000753464.b3lyp_6-31g(d).firefly.inp (generated)

000753464.b3lyp_6-31g(d).smash.inp (generated)

000753464.b3lyp_6-31g(d).nwchem.inp (generated) 000753464.b3lyp_6-31g(d).log.xz 000753464.td-b3lyp_6-31g+(d).inp 000753464.td-b3lyp_6-31g+(d).log.xz

000753464.td-b3lyp_6-31+g(d).qchem.inp (generated)

000753464.td-b3lyp_6-31+g(d).gjf (generated)

000753464.td-b3lyp_6-31+g(d).firefly.inp (generated)

000753464.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000753464.mol 000753464.PUBCHEM 000753464.mol (via Jmol)
000753484.b3lyp_6-31g(d).inp

000753484.b3lyp_6-31g(d).qchem.inp (generated)

000753484.b3lyp_6-31g(d).gjf (generated)

000753484.b3lyp_6-31g(d).firefly.inp (generated)

000753484.b3lyp_6-31g(d).smash.inp (generated)

000753484.b3lyp_6-31g(d).nwchem.inp (generated) 000753484.b3lyp_6-31g(d).log.xz 000753484.td-b3lyp_6-31g+(d).inp 000753484.td-b3lyp_6-31g+(d).log.xz

000753484.td-b3lyp_6-31+g(d).qchem.inp (generated)

000753484.td-b3lyp_6-31+g(d).gjf (generated)

000753484.td-b3lyp_6-31+g(d).firefly.inp (generated)

000753484.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000753484.mol 000753484.PUBCHEM 000753484.mol (via Jmol)
000753487.b3lyp_6-31g(d).inp

000753487.b3lyp_6-31g(d).qchem.inp (generated)

000753487.b3lyp_6-31g(d).gjf (generated)

000753487.b3lyp_6-31g(d).firefly.inp (generated)

000753487.b3lyp_6-31g(d).smash.inp (generated)

000753487.b3lyp_6-31g(d).nwchem.inp (generated) 000753487.b3lyp_6-31g(d).log.xz 000753487.mol 000753487.PUBCHEM 000753487.mol (via Jmol)
000753516.b3lyp_6-31g(d).inp

000753516.b3lyp_6-31g(d).qchem.inp (generated)

000753516.b3lyp_6-31g(d).gjf (generated)

000753516.b3lyp_6-31g(d).firefly.inp (generated)

000753516.b3lyp_6-31g(d).smash.inp (generated)

000753516.b3lyp_6-31g(d).nwchem.inp (generated) 000753516.b3lyp_6-31g(d).log.xz 000753516.td-b3lyp_6-31g+(d).inp 000753516.td-b3lyp_6-31g+(d).log.xz

000753516.td-b3lyp_6-31+g(d).qchem.inp (generated)

000753516.td-b3lyp_6-31+g(d).gjf (generated)

000753516.td-b3lyp_6-31+g(d).firefly.inp (generated)

000753516.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000753516.mol 000753516.PUBCHEM 000753516.mol (via Jmol)
000753529.b3lyp_6-31g(d).inp

000753529.b3lyp_6-31g(d).qchem.inp (generated)

000753529.b3lyp_6-31g(d).gjf (generated)

000753529.b3lyp_6-31g(d).firefly.inp (generated)

000753529.b3lyp_6-31g(d).smash.inp (generated)

000753529.b3lyp_6-31g(d).nwchem.inp (generated) 000753529.b3lyp_6-31g(d).log.xz 000753529.td-b3lyp_6-31g+(d).inp 000753529.td-b3lyp_6-31g+(d).log.xz

000753529.td-b3lyp_6-31+g(d).qchem.inp (generated)

000753529.td-b3lyp_6-31+g(d).gjf (generated)

000753529.td-b3lyp_6-31+g(d).firefly.inp (generated)

000753529.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000753529.mol 000753529.PUBCHEM 000753529.mol (via Jmol)
000753531.b3lyp_6-31g(d).inp

000753531.b3lyp_6-31g(d).qchem.inp (generated)

000753531.b3lyp_6-31g(d).gjf (generated)

000753531.b3lyp_6-31g(d).firefly.inp (generated)

000753531.b3lyp_6-31g(d).smash.inp (generated)

000753531.b3lyp_6-31g(d).nwchem.inp (generated) 000753531.b3lyp_6-31g(d).log.xz 000753531.td-b3lyp_6-31g+(d).inp 000753531.td-b3lyp_6-31g+(d).log.xz

000753531.td-b3lyp_6-31+g(d).qchem.inp (generated)

000753531.td-b3lyp_6-31+g(d).gjf (generated)

000753531.td-b3lyp_6-31+g(d).firefly.inp (generated)

000753531.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000753531.mol 000753531.PUBCHEM 000753531.mol (via Jmol)
000753546.b3lyp_6-31g(d).inp

000753546.b3lyp_6-31g(d).qchem.inp (generated)

000753546.b3lyp_6-31g(d).gjf (generated)

000753546.b3lyp_6-31g(d).firefly.inp (generated)

000753546.b3lyp_6-31g(d).smash.inp (generated)

000753546.b3lyp_6-31g(d).nwchem.inp (generated) 000753546.b3lyp_6-31g(d).log.xz 000753546.td-b3lyp_6-31g+(d).inp 000753546.td-b3lyp_6-31g+(d).log.xz

000753546.td-b3lyp_6-31+g(d).qchem.inp (generated)

000753546.td-b3lyp_6-31+g(d).gjf (generated)

000753546.td-b3lyp_6-31+g(d).firefly.inp (generated)

000753546.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000753546.mol 000753546.PUBCHEM 000753546.mol (via Jmol)
000753547.b3lyp_6-31g(d).inp

000753547.b3lyp_6-31g(d).qchem.inp (generated)

000753547.b3lyp_6-31g(d).gjf (generated)

000753547.b3lyp_6-31g(d).firefly.inp (generated)

000753547.b3lyp_6-31g(d).smash.inp (generated)

000753547.b3lyp_6-31g(d).nwchem.inp (generated) 000753547.b3lyp_6-31g(d).log.xz 000753547.td-b3lyp_6-31g+(d).inp 000753547.td-b3lyp_6-31g+(d).log.xz

000753547.td-b3lyp_6-31+g(d).qchem.inp (generated)

000753547.td-b3lyp_6-31+g(d).gjf (generated)

000753547.td-b3lyp_6-31+g(d).firefly.inp (generated)

000753547.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000753547.mol 000753547.PUBCHEM 000753547.mol (via Jmol)
000753604.b3lyp_6-31g(d).inp

000753604.b3lyp_6-31g(d).qchem.inp (generated)

000753604.b3lyp_6-31g(d).gjf (generated)

000753604.b3lyp_6-31g(d).firefly.inp (generated)

000753604.b3lyp_6-31g(d).smash.inp (generated)

000753604.b3lyp_6-31g(d).nwchem.inp (generated) 000753604.b3lyp_6-31g(d).log.xz 000753604.mol 000753604.PUBCHEM 000753604.mol (via Jmol)
000753608.b3lyp_6-31g(d).inp

000753608.b3lyp_6-31g(d).qchem.inp (generated)

000753608.b3lyp_6-31g(d).gjf (generated)

000753608.b3lyp_6-31g(d).firefly.inp (generated)

000753608.b3lyp_6-31g(d).smash.inp (generated)

000753608.b3lyp_6-31g(d).nwchem.inp (generated) 000753608.b3lyp_6-31g(d).log.xz 000753608.td-b3lyp_6-31g+(d).inp 000753608.td-b3lyp_6-31g+(d).log.xz

000753608.td-b3lyp_6-31+g(d).qchem.inp (generated)

000753608.td-b3lyp_6-31+g(d).gjf (generated)

000753608.td-b3lyp_6-31+g(d).firefly.inp (generated)

000753608.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000753608.mol 000753608.PUBCHEM 000753608.mol (via Jmol)
000753609.b3lyp_6-31g(d).inp

000753609.b3lyp_6-31g(d).qchem.inp (generated)

000753609.b3lyp_6-31g(d).gjf (generated)

000753609.b3lyp_6-31g(d).firefly.inp (generated)

000753609.b3lyp_6-31g(d).smash.inp (generated)

000753609.b3lyp_6-31g(d).nwchem.inp (generated) 000753609.b3lyp_6-31g(d).log.xz 000753609.td-b3lyp_6-31g+(d).inp 000753609.td-b3lyp_6-31g+(d).log.xz

000753609.td-b3lyp_6-31+g(d).qchem.inp (generated)

000753609.td-b3lyp_6-31+g(d).gjf (generated)

000753609.td-b3lyp_6-31+g(d).firefly.inp (generated)

000753609.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000753609.mol 000753609.PUBCHEM 000753609.mol (via Jmol)
000753611.b3lyp_6-31g(d).inp

000753611.b3lyp_6-31g(d).qchem.inp (generated)

000753611.b3lyp_6-31g(d).gjf (generated)

000753611.b3lyp_6-31g(d).firefly.inp (generated)

000753611.b3lyp_6-31g(d).smash.inp (generated)

000753611.b3lyp_6-31g(d).nwchem.inp (generated) 000753611.b3lyp_6-31g(d).log.xz 000753611.td-b3lyp_6-31g+(d).inp 000753611.td-b3lyp_6-31g+(d).log.xz

000753611.td-b3lyp_6-31+g(d).qchem.inp (generated)

000753611.td-b3lyp_6-31+g(d).gjf (generated)

000753611.td-b3lyp_6-31+g(d).firefly.inp (generated)

000753611.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000753611.mol 000753611.PUBCHEM 000753611.mol (via Jmol)
000753631.b3lyp_6-31g(d).inp

000753631.b3lyp_6-31g(d).qchem.inp (generated)

000753631.b3lyp_6-31g(d).gjf (generated)

000753631.b3lyp_6-31g(d).firefly.inp (generated)

000753631.b3lyp_6-31g(d).smash.inp (generated)

000753631.b3lyp_6-31g(d).nwchem.inp (generated) 000753631.b3lyp_6-31g(d).log.xz 000753631.td-b3lyp_6-31g+(d).inp 000753631.td-b3lyp_6-31g+(d).log.xz

000753631.td-b3lyp_6-31+g(d).qchem.inp (generated)

000753631.td-b3lyp_6-31+g(d).gjf (generated)

000753631.td-b3lyp_6-31+g(d).firefly.inp (generated)

000753631.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000753631.mol 000753631.PUBCHEM 000753631.mol (via Jmol)
000753632.b3lyp_6-31g(d).inp

000753632.b3lyp_6-31g(d).qchem.inp (generated)

000753632.b3lyp_6-31g(d).gjf (generated)

000753632.b3lyp_6-31g(d).firefly.inp (generated)

000753632.b3lyp_6-31g(d).smash.inp (generated)

000753632.b3lyp_6-31g(d).nwchem.inp (generated) 000753632.b3lyp_6-31g(d).log.xz 000753632.td-b3lyp_6-31g+(d).inp 000753632.td-b3lyp_6-31g+(d).log.xz

000753632.td-b3lyp_6-31+g(d).qchem.inp (generated)

000753632.td-b3lyp_6-31+g(d).gjf (generated)

000753632.td-b3lyp_6-31+g(d).firefly.inp (generated)

000753632.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000753632.mol 000753632.PUBCHEM 000753632.mol (via Jmol)
000753651.b3lyp_6-31g(d).inp

000753651.b3lyp_6-31g(d).qchem.inp (generated)

000753651.b3lyp_6-31g(d).gjf (generated)

000753651.b3lyp_6-31g(d).firefly.inp (generated)

000753651.b3lyp_6-31g(d).smash.inp (generated)

000753651.b3lyp_6-31g(d).nwchem.inp (generated) 000753651.b3lyp_6-31g(d).log.xz 000753651.td-b3lyp_6-31g+(d).inp 000753651.td-b3lyp_6-31g+(d).log.xz

000753651.td-b3lyp_6-31+g(d).qchem.inp (generated)

000753651.td-b3lyp_6-31+g(d).gjf (generated)

000753651.td-b3lyp_6-31+g(d).firefly.inp (generated)

000753651.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000753651.mol 000753651.PUBCHEM 000753651.mol (via Jmol)
000753663.b3lyp_6-31g(d).inp

000753663.b3lyp_6-31g(d).qchem.inp (generated)

000753663.b3lyp_6-31g(d).gjf (generated)

000753663.b3lyp_6-31g(d).firefly.inp (generated)

000753663.b3lyp_6-31g(d).smash.inp (generated)

000753663.b3lyp_6-31g(d).nwchem.inp (generated) 000753663.b3lyp_6-31g(d).log.xz 000753663.td-b3lyp_6-31g+(d).inp 000753663.td-b3lyp_6-31g+(d).log.xz

000753663.td-b3lyp_6-31+g(d).qchem.inp (generated)

000753663.td-b3lyp_6-31+g(d).gjf (generated)

000753663.td-b3lyp_6-31+g(d).firefly.inp (generated)

000753663.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000753663.mol 000753663.PUBCHEM 000753663.mol (via Jmol)
000753664.b3lyp_6-31g(d).inp

000753664.b3lyp_6-31g(d).qchem.inp (generated)

000753664.b3lyp_6-31g(d).gjf (generated)

000753664.b3lyp_6-31g(d).firefly.inp (generated)

000753664.b3lyp_6-31g(d).smash.inp (generated)

000753664.b3lyp_6-31g(d).nwchem.inp (generated) 000753664.b3lyp_6-31g(d).log.xz 000753664.td-b3lyp_6-31g+(d).inp 000753664.td-b3lyp_6-31g+(d).log.xz

000753664.td-b3lyp_6-31+g(d).qchem.inp (generated)

000753664.td-b3lyp_6-31+g(d).gjf (generated)

000753664.td-b3lyp_6-31+g(d).firefly.inp (generated)

000753664.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000753664.mol 000753664.PUBCHEM 000753664.mol (via Jmol)
000753694.b3lyp_6-31g(d).inp

000753694.b3lyp_6-31g(d).qchem.inp (generated)

000753694.b3lyp_6-31g(d).gjf (generated)

000753694.b3lyp_6-31g(d).firefly.inp (generated)

000753694.b3lyp_6-31g(d).smash.inp (generated)

000753694.b3lyp_6-31g(d).nwchem.inp (generated) 000753694.b3lyp_6-31g(d).log.xz 000753694.td-b3lyp_6-31g+(d).inp 000753694.td-b3lyp_6-31g+(d).log.xz

000753694.td-b3lyp_6-31+g(d).qchem.inp (generated)

000753694.td-b3lyp_6-31+g(d).gjf (generated)

000753694.td-b3lyp_6-31+g(d).firefly.inp (generated)

000753694.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000753694.mol 000753694.PUBCHEM 000753694.mol (via Jmol)
000753726.b3lyp_6-31g(d).inp

000753726.b3lyp_6-31g(d).qchem.inp (generated)

000753726.b3lyp_6-31g(d).gjf (generated)

000753726.b3lyp_6-31g(d).firefly.inp (generated)

000753726.b3lyp_6-31g(d).smash.inp (generated)

000753726.b3lyp_6-31g(d).nwchem.inp (generated) 000753726.b3lyp_6-31g(d).log.xz 000753726.mol 000753726.PUBCHEM 000753726.mol (via Jmol)
000753738.b3lyp_6-31g(d).inp

000753738.b3lyp_6-31g(d).qchem.inp (generated)

000753738.b3lyp_6-31g(d).gjf (generated)

000753738.b3lyp_6-31g(d).firefly.inp (generated)

000753738.b3lyp_6-31g(d).smash.inp (generated)

000753738.b3lyp_6-31g(d).nwchem.inp (generated) 000753738.b3lyp_6-31g(d).log.xz 000753738.mol 000753738.PUBCHEM 000753738.mol (via Jmol)
000753765.b3lyp_6-31g(d).inp

000753765.b3lyp_6-31g(d).qchem.inp (generated)

000753765.b3lyp_6-31g(d).gjf (generated)

000753765.b3lyp_6-31g(d).firefly.inp (generated)

000753765.b3lyp_6-31g(d).smash.inp (generated)

000753765.b3lyp_6-31g(d).nwchem.inp (generated) 000753765.b3lyp_6-31g(d).log.xz 000753765.mol 000753765.PUBCHEM 000753765.mol (via Jmol)
000753789.b3lyp_6-31g(d).inp

000753789.b3lyp_6-31g(d).qchem.inp (generated)

000753789.b3lyp_6-31g(d).gjf (generated)

000753789.b3lyp_6-31g(d).firefly.inp (generated)

000753789.b3lyp_6-31g(d).smash.inp (generated)

000753789.b3lyp_6-31g(d).nwchem.inp (generated) 000753789.b3lyp_6-31g(d).log.xz 000753789.td-b3lyp_6-31g+(d).inp 000753789.td-b3lyp_6-31g+(d).log.xz

000753789.td-b3lyp_6-31+g(d).qchem.inp (generated)

000753789.td-b3lyp_6-31+g(d).gjf (generated)

000753789.td-b3lyp_6-31+g(d).firefly.inp (generated)

000753789.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000753789.mol 000753789.PUBCHEM 000753789.mol (via Jmol)
000753793.b3lyp_6-31g(d).inp

000753793.b3lyp_6-31g(d).qchem.inp (generated)

000753793.b3lyp_6-31g(d).gjf (generated)

000753793.b3lyp_6-31g(d).firefly.inp (generated)

000753793.b3lyp_6-31g(d).smash.inp (generated)

000753793.b3lyp_6-31g(d).nwchem.inp (generated) 000753793.b3lyp_6-31g(d).log.xz 000753793.td-b3lyp_6-31g+(d).inp 000753793.td-b3lyp_6-31g+(d).log.xz

000753793.td-b3lyp_6-31+g(d).qchem.inp (generated)

000753793.td-b3lyp_6-31+g(d).gjf (generated)

000753793.td-b3lyp_6-31+g(d).firefly.inp (generated)

000753793.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000753793.mol 000753793.PUBCHEM 000753793.mol (via Jmol)
000753797.b3lyp_6-31g(d).inp

000753797.b3lyp_6-31g(d).qchem.inp (generated)

000753797.b3lyp_6-31g(d).gjf (generated)

000753797.b3lyp_6-31g(d).firefly.inp (generated)

000753797.b3lyp_6-31g(d).smash.inp (generated)

000753797.b3lyp_6-31g(d).nwchem.inp (generated) 000753797.b3lyp_6-31g(d).log.xz 000753797.mol 000753797.PUBCHEM 000753797.mol (via Jmol)
000753798.b3lyp_6-31g(d).inp

000753798.b3lyp_6-31g(d).qchem.inp (generated)

000753798.b3lyp_6-31g(d).gjf (generated)

000753798.b3lyp_6-31g(d).firefly.inp (generated)

000753798.b3lyp_6-31g(d).smash.inp (generated)

000753798.b3lyp_6-31g(d).nwchem.inp (generated) 000753798.b3lyp_6-31g(d).log.xz 000753798.mol 000753798.PUBCHEM 000753798.mol (via Jmol)
000753799.b3lyp_6-31g(d).inp

000753799.b3lyp_6-31g(d).qchem.inp (generated)

000753799.b3lyp_6-31g(d).gjf (generated)

000753799.b3lyp_6-31g(d).firefly.inp (generated)

000753799.b3lyp_6-31g(d).smash.inp (generated)

000753799.b3lyp_6-31g(d).nwchem.inp (generated) 000753799.b3lyp_6-31g(d).log.xz 000753799.mol 000753799.PUBCHEM 000753799.mol (via Jmol)
000753803.b3lyp_6-31g(d).inp

000753803.b3lyp_6-31g(d).qchem.inp (generated)

000753803.b3lyp_6-31g(d).gjf (generated)

000753803.b3lyp_6-31g(d).firefly.inp (generated)

000753803.b3lyp_6-31g(d).smash.inp (generated)

000753803.b3lyp_6-31g(d).nwchem.inp (generated) 000753803.b3lyp_6-31g(d).log.xz 000753803.mol 000753803.PUBCHEM 000753803.mol (via Jmol)
000753835.b3lyp_6-31g(d).inp

000753835.b3lyp_6-31g(d).qchem.inp (generated)

000753835.b3lyp_6-31g(d).gjf (generated)

000753835.b3lyp_6-31g(d).firefly.inp (generated)

000753835.b3lyp_6-31g(d).smash.inp (generated)

000753835.b3lyp_6-31g(d).nwchem.inp (generated) 000753835.b3lyp_6-31g(d).log.xz 000753835.td-b3lyp_6-31g+(d).inp 000753835.td-b3lyp_6-31g+(d).log.xz

000753835.td-b3lyp_6-31+g(d).qchem.inp (generated)

000753835.td-b3lyp_6-31+g(d).gjf (generated)

000753835.td-b3lyp_6-31+g(d).firefly.inp (generated)

000753835.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000753835.mol 000753835.PUBCHEM 000753835.mol (via Jmol)
000753840.b3lyp_6-31g(d).inp

000753840.b3lyp_6-31g(d).qchem.inp (generated)

000753840.b3lyp_6-31g(d).gjf (generated)

000753840.b3lyp_6-31g(d).firefly.inp (generated)

000753840.b3lyp_6-31g(d).smash.inp (generated)

000753840.b3lyp_6-31g(d).nwchem.inp (generated) 000753840.b3lyp_6-31g(d).log.xz 000753840.td-b3lyp_6-31g+(d).inp 000753840.td-b3lyp_6-31g+(d).log.xz

000753840.td-b3lyp_6-31+g(d).qchem.inp (generated)

000753840.td-b3lyp_6-31+g(d).gjf (generated)

000753840.td-b3lyp_6-31+g(d).firefly.inp (generated)

000753840.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000753840.mol 000753840.PUBCHEM 000753840.mol (via Jmol)
000753848.b3lyp_6-31g(d).inp

000753848.b3lyp_6-31g(d).qchem.inp (generated)

000753848.b3lyp_6-31g(d).gjf (generated)

000753848.b3lyp_6-31g(d).firefly.inp (generated)

000753848.b3lyp_6-31g(d).smash.inp (generated)

000753848.b3lyp_6-31g(d).nwchem.inp (generated) 000753848.b3lyp_6-31g(d).log.xz 000753848.td-b3lyp_6-31g+(d).inp 000753848.td-b3lyp_6-31g+(d).log.xz

000753848.td-b3lyp_6-31+g(d).qchem.inp (generated)

000753848.td-b3lyp_6-31+g(d).gjf (generated)

000753848.td-b3lyp_6-31+g(d).firefly.inp (generated)

000753848.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000753848.mol 000753848.PUBCHEM 000753848.mol (via Jmol)
000753865.b3lyp_6-31g(d).inp

000753865.b3lyp_6-31g(d).qchem.inp (generated)

000753865.b3lyp_6-31g(d).gjf (generated)

000753865.b3lyp_6-31g(d).firefly.inp (generated)

000753865.b3lyp_6-31g(d).smash.inp (generated)

000753865.b3lyp_6-31g(d).nwchem.inp (generated) 000753865.b3lyp_6-31g(d).log.xz 000753865.td-b3lyp_6-31g+(d).inp 000753865.td-b3lyp_6-31g+(d).log.xz

000753865.td-b3lyp_6-31+g(d).qchem.inp (generated)

000753865.td-b3lyp_6-31+g(d).gjf (generated)

000753865.td-b3lyp_6-31+g(d).firefly.inp (generated)

000753865.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000753865.mol 000753865.PUBCHEM 000753865.mol (via Jmol)
000753866.b3lyp_6-31g(d).inp

000753866.b3lyp_6-31g(d).qchem.inp (generated)

000753866.b3lyp_6-31g(d).gjf (generated)

000753866.b3lyp_6-31g(d).firefly.inp (generated)

000753866.b3lyp_6-31g(d).smash.inp (generated)

000753866.b3lyp_6-31g(d).nwchem.inp (generated) 000753866.b3lyp_6-31g(d).log.xz 000753866.td-b3lyp_6-31g+(d).inp 000753866.td-b3lyp_6-31g+(d).log.xz

000753866.td-b3lyp_6-31+g(d).qchem.inp (generated)

000753866.td-b3lyp_6-31+g(d).gjf (generated)

000753866.td-b3lyp_6-31+g(d).firefly.inp (generated)

000753866.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000753866.mol 000753866.PUBCHEM 000753866.mol (via Jmol)
000753887.b3lyp_6-31g(d).inp

000753887.b3lyp_6-31g(d).qchem.inp (generated)

000753887.b3lyp_6-31g(d).gjf (generated)

000753887.b3lyp_6-31g(d).firefly.inp (generated)

000753887.b3lyp_6-31g(d).smash.inp (generated)

000753887.b3lyp_6-31g(d).nwchem.inp (generated) 000753887.b3lyp_6-31g(d).log.xz 000753887.mol 000753887.PUBCHEM 000753887.mol (via Jmol)
000753888.b3lyp_6-31g(d).inp

000753888.b3lyp_6-31g(d).qchem.inp (generated)

000753888.b3lyp_6-31g(d).gjf (generated)

000753888.b3lyp_6-31g(d).firefly.inp (generated)

000753888.b3lyp_6-31g(d).smash.inp (generated)

000753888.b3lyp_6-31g(d).nwchem.inp (generated) 000753888.b3lyp_6-31g(d).log.xz 000753888.mol 000753888.PUBCHEM 000753888.mol (via Jmol)
000753897.b3lyp_6-31g(d).inp

000753897.b3lyp_6-31g(d).qchem.inp (generated)

000753897.b3lyp_6-31g(d).gjf (generated)

000753897.b3lyp_6-31g(d).firefly.inp (generated)

000753897.b3lyp_6-31g(d).smash.inp (generated)

000753897.b3lyp_6-31g(d).nwchem.inp (generated) 000753897.b3lyp_6-31g(d).log.xz 000753897.td-b3lyp_6-31g+(d).inp 000753897.td-b3lyp_6-31g+(d).log.xz

000753897.td-b3lyp_6-31+g(d).qchem.inp (generated)

000753897.td-b3lyp_6-31+g(d).gjf (generated)

000753897.td-b3lyp_6-31+g(d).firefly.inp (generated)

000753897.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000753897.mol 000753897.PUBCHEM 000753897.mol (via Jmol)
000753908.b3lyp_6-31g(d).inp

000753908.b3lyp_6-31g(d).qchem.inp (generated)

000753908.b3lyp_6-31g(d).gjf (generated)

000753908.b3lyp_6-31g(d).firefly.inp (generated)

000753908.b3lyp_6-31g(d).smash.inp (generated)

000753908.b3lyp_6-31g(d).nwchem.inp (generated) 000753908.b3lyp_6-31g(d).log.xz 000753908.mol 000753908.PUBCHEM 000753908.mol (via Jmol)
000753911.b3lyp_6-31g(d).inp

000753911.b3lyp_6-31g(d).qchem.inp (generated)

000753911.b3lyp_6-31g(d).gjf (generated)

000753911.b3lyp_6-31g(d).firefly.inp (generated)

000753911.b3lyp_6-31g(d).smash.inp (generated)

000753911.b3lyp_6-31g(d).nwchem.inp (generated) 000753911.b3lyp_6-31g(d).log.xz 000753911.mol 000753911.PUBCHEM 000753911.mol (via Jmol)
000753912.b3lyp_6-31g(d).inp

000753912.b3lyp_6-31g(d).qchem.inp (generated)

000753912.b3lyp_6-31g(d).gjf (generated)

000753912.b3lyp_6-31g(d).firefly.inp (generated)

000753912.b3lyp_6-31g(d).smash.inp (generated)

000753912.b3lyp_6-31g(d).nwchem.inp (generated) 000753912.b3lyp_6-31g(d).log.xz 000753912.td-b3lyp_6-31g+(d).inp 000753912.td-b3lyp_6-31g+(d).log.xz

000753912.td-b3lyp_6-31+g(d).qchem.inp (generated)

000753912.td-b3lyp_6-31+g(d).gjf (generated)

000753912.td-b3lyp_6-31+g(d).firefly.inp (generated)

000753912.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000753912.mol 000753912.PUBCHEM 000753912.mol (via Jmol)
000753914.b3lyp_6-31g(d).inp

000753914.b3lyp_6-31g(d).qchem.inp (generated)

000753914.b3lyp_6-31g(d).gjf (generated)

000753914.b3lyp_6-31g(d).firefly.inp (generated)

000753914.b3lyp_6-31g(d).smash.inp (generated)

000753914.b3lyp_6-31g(d).nwchem.inp (generated) 000753914.b3lyp_6-31g(d).log.xz 000753914.td-b3lyp_6-31g+(d).inp 000753914.td-b3lyp_6-31g+(d).log.xz

000753914.td-b3lyp_6-31+g(d).qchem.inp (generated)

000753914.td-b3lyp_6-31+g(d).gjf (generated)

000753914.td-b3lyp_6-31+g(d).firefly.inp (generated)

000753914.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000753914.mol 000753914.PUBCHEM 000753914.mol (via Jmol)
000753926.b3lyp_6-31g(d).inp

000753926.b3lyp_6-31g(d).qchem.inp (generated)

000753926.b3lyp_6-31g(d).gjf (generated)

000753926.b3lyp_6-31g(d).firefly.inp (generated)

000753926.b3lyp_6-31g(d).smash.inp (generated)

000753926.b3lyp_6-31g(d).nwchem.inp (generated) 000753926.b3lyp_6-31g(d).log.xz 000753926.mol 000753926.PUBCHEM 000753926.mol (via Jmol)
000753934.b3lyp_6-31g(d).inp

000753934.b3lyp_6-31g(d).qchem.inp (generated)

000753934.b3lyp_6-31g(d).gjf (generated)

000753934.b3lyp_6-31g(d).firefly.inp (generated)

000753934.b3lyp_6-31g(d).smash.inp (generated)

000753934.b3lyp_6-31g(d).nwchem.inp (generated) 000753934.b3lyp_6-31g(d).log.xz 000753934.td-b3lyp_6-31g+(d).inp 000753934.td-b3lyp_6-31g+(d).log.xz

000753934.td-b3lyp_6-31+g(d).qchem.inp (generated)

000753934.td-b3lyp_6-31+g(d).gjf (generated)

000753934.td-b3lyp_6-31+g(d).firefly.inp (generated)

000753934.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000753934.mol 000753934.PUBCHEM 000753934.mol (via Jmol)
000753956.b3lyp_6-31g(d).inp

000753956.b3lyp_6-31g(d).qchem.inp (generated)

000753956.b3lyp_6-31g(d).gjf (generated)

000753956.b3lyp_6-31g(d).firefly.inp (generated)

000753956.b3lyp_6-31g(d).smash.inp (generated)

000753956.b3lyp_6-31g(d).nwchem.inp (generated) 000753956.b3lyp_6-31g(d).log.xz 000753956.mol 000753956.PUBCHEM 000753956.mol (via Jmol)
000753995.b3lyp_6-31g(d).inp

000753995.b3lyp_6-31g(d).qchem.inp (generated)

000753995.b3lyp_6-31g(d).gjf (generated)

000753995.b3lyp_6-31g(d).firefly.inp (generated)

000753995.b3lyp_6-31g(d).smash.inp (generated)

000753995.b3lyp_6-31g(d).nwchem.inp (generated) 000753995.b3lyp_6-31g(d).log.xz 000753995.mol 000753995.PUBCHEM 000753995.mol (via Jmol)
000753996.b3lyp_6-31g(d).inp

000753996.b3lyp_6-31g(d).qchem.inp (generated)

000753996.b3lyp_6-31g(d).gjf (generated)

000753996.b3lyp_6-31g(d).firefly.inp (generated)

000753996.b3lyp_6-31g(d).smash.inp (generated)

000753996.b3lyp_6-31g(d).nwchem.inp (generated) 000753996.b3lyp_6-31g(d).log.xz 000753996.mol 000753996.PUBCHEM 000753996.mol (via Jmol)
000753997.b3lyp_6-31g(d).inp

000753997.b3lyp_6-31g(d).qchem.inp (generated)

000753997.b3lyp_6-31g(d).gjf (generated)

000753997.b3lyp_6-31g(d).firefly.inp (generated)

000753997.b3lyp_6-31g(d).smash.inp (generated)

000753997.b3lyp_6-31g(d).nwchem.inp (generated) 000753997.b3lyp_6-31g(d).log.xz 000753997.td-b3lyp_6-31g+(d).inp 000753997.td-b3lyp_6-31g+(d).log.xz

000753997.td-b3lyp_6-31+g(d).qchem.inp (generated)

000753997.td-b3lyp_6-31+g(d).gjf (generated)

000753997.td-b3lyp_6-31+g(d).firefly.inp (generated)

000753997.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000753997.mol 000753997.PUBCHEM 000753997.mol (via Jmol)
000753999.b3lyp_6-31g(d).inp

000753999.b3lyp_6-31g(d).qchem.inp (generated)

000753999.b3lyp_6-31g(d).gjf (generated)

000753999.b3lyp_6-31g(d).firefly.inp (generated)

000753999.b3lyp_6-31g(d).smash.inp (generated)

000753999.b3lyp_6-31g(d).nwchem.inp (generated) 000753999.b3lyp_6-31g(d).log.xz 000753999.td-b3lyp_6-31g+(d).inp 000753999.td-b3lyp_6-31g+(d).log.xz

000753999.td-b3lyp_6-31+g(d).qchem.inp (generated)

000753999.td-b3lyp_6-31+g(d).gjf (generated)

000753999.td-b3lyp_6-31+g(d).firefly.inp (generated)

000753999.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000753999.mol 000753999.PUBCHEM 000753999.mol (via Jmol)
000754001.b3lyp_6-31g(d).inp

000754001.b3lyp_6-31g(d).qchem.inp (generated)

000754001.b3lyp_6-31g(d).gjf (generated)

000754001.b3lyp_6-31g(d).firefly.inp (generated)

000754001.b3lyp_6-31g(d).smash.inp (generated)

000754001.b3lyp_6-31g(d).nwchem.inp (generated) 000754001.b3lyp_6-31g(d).log.xz 000754001.td-b3lyp_6-31g+(d).inp 000754001.td-b3lyp_6-31g+(d).log.xz

000754001.td-b3lyp_6-31+g(d).qchem.inp (generated)

000754001.td-b3lyp_6-31+g(d).gjf (generated)

000754001.td-b3lyp_6-31+g(d).firefly.inp (generated)

000754001.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000754001.mol 000754001.PUBCHEM 000754001.mol (via Jmol)
000754049.b3lyp_6-31g(d).inp

000754049.b3lyp_6-31g(d).qchem.inp (generated)

000754049.b3lyp_6-31g(d).gjf (generated)

000754049.b3lyp_6-31g(d).firefly.inp (generated)

000754049.b3lyp_6-31g(d).smash.inp (generated)

000754049.b3lyp_6-31g(d).nwchem.inp (generated) 000754049.b3lyp_6-31g(d).log.xz 000754049.td-b3lyp_6-31g+(d).inp 000754049.td-b3lyp_6-31g+(d).log.xz

000754049.td-b3lyp_6-31+g(d).qchem.inp (generated)

000754049.td-b3lyp_6-31+g(d).gjf (generated)

000754049.td-b3lyp_6-31+g(d).firefly.inp (generated)

000754049.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000754049.mol 000754049.PUBCHEM 000754049.mol (via Jmol)
000754076.b3lyp_6-31g(d).inp

000754076.b3lyp_6-31g(d).qchem.inp (generated)

000754076.b3lyp_6-31g(d).gjf (generated)

000754076.b3lyp_6-31g(d).firefly.inp (generated)

000754076.b3lyp_6-31g(d).smash.inp (generated)

000754076.b3lyp_6-31g(d).nwchem.inp (generated) 000754076.b3lyp_6-31g(d).log.xz 000754076.mol 000754076.PUBCHEM 000754076.mol (via Jmol)
000754081.b3lyp_6-31g(d).inp

000754081.b3lyp_6-31g(d).qchem.inp (generated)

000754081.b3lyp_6-31g(d).gjf (generated)

000754081.b3lyp_6-31g(d).firefly.inp (generated)

000754081.b3lyp_6-31g(d).smash.inp (generated)

000754081.b3lyp_6-31g(d).nwchem.inp (generated) 000754081.b3lyp_6-31g(d).log.xz 000754081.td-b3lyp_6-31g+(d).inp 000754081.td-b3lyp_6-31g+(d).log.xz

000754081.td-b3lyp_6-31+g(d).qchem.inp (generated)

000754081.td-b3lyp_6-31+g(d).gjf (generated)

000754081.td-b3lyp_6-31+g(d).firefly.inp (generated)

000754081.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000754081.mol 000754081.PUBCHEM 000754081.mol (via Jmol)
000754090.b3lyp_6-31g(d).inp

000754090.b3lyp_6-31g(d).qchem.inp (generated)

000754090.b3lyp_6-31g(d).gjf (generated)

000754090.b3lyp_6-31g(d).firefly.inp (generated)

000754090.b3lyp_6-31g(d).smash.inp (generated)

000754090.b3lyp_6-31g(d).nwchem.inp (generated) 000754090.b3lyp_6-31g(d).log.xz 000754090.td-b3lyp_6-31g+(d).inp 000754090.td-b3lyp_6-31g+(d).log.xz

000754090.td-b3lyp_6-31+g(d).qchem.inp (generated)

000754090.td-b3lyp_6-31+g(d).gjf (generated)

000754090.td-b3lyp_6-31+g(d).firefly.inp (generated)

000754090.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000754090.mol 000754090.PUBCHEM 000754090.mol (via Jmol)
000754092.b3lyp_6-31g(d).inp

000754092.b3lyp_6-31g(d).qchem.inp (generated)

000754092.b3lyp_6-31g(d).gjf (generated)

000754092.b3lyp_6-31g(d).firefly.inp (generated)

000754092.b3lyp_6-31g(d).smash.inp (generated)

000754092.b3lyp_6-31g(d).nwchem.inp (generated) 000754092.b3lyp_6-31g(d).log.xz 000754092.td-b3lyp_6-31g+(d).inp 000754092.td-b3lyp_6-31g+(d).log.xz

000754092.td-b3lyp_6-31+g(d).qchem.inp (generated)

000754092.td-b3lyp_6-31+g(d).gjf (generated)

000754092.td-b3lyp_6-31+g(d).firefly.inp (generated)

000754092.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000754092.mol 000754092.PUBCHEM 000754092.mol (via Jmol)
000754096.b3lyp_6-31g(d).inp

000754096.b3lyp_6-31g(d).qchem.inp (generated)

000754096.b3lyp_6-31g(d).gjf (generated)

000754096.b3lyp_6-31g(d).firefly.inp (generated)

000754096.b3lyp_6-31g(d).smash.inp (generated)

000754096.b3lyp_6-31g(d).nwchem.inp (generated) 000754096.b3lyp_6-31g(d).log.xz 000754096.mol 000754096.PUBCHEM 000754096.mol (via Jmol)
000754117.b3lyp_6-31g(d).inp

000754117.b3lyp_6-31g(d).qchem.inp (generated)

000754117.b3lyp_6-31g(d).gjf (generated)

000754117.b3lyp_6-31g(d).firefly.inp (generated)

000754117.b3lyp_6-31g(d).smash.inp (generated)

000754117.b3lyp_6-31g(d).nwchem.inp (generated) 000754117.b3lyp_6-31g(d).log.xz 000754117.td-b3lyp_6-31g+(d).inp 000754117.td-b3lyp_6-31g+(d).log.xz

000754117.td-b3lyp_6-31+g(d).qchem.inp (generated)

000754117.td-b3lyp_6-31+g(d).gjf (generated)

000754117.td-b3lyp_6-31+g(d).firefly.inp (generated)

000754117.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000754117.mol 000754117.PUBCHEM 000754117.mol (via Jmol)
000754124.b3lyp_6-31g(d).inp

000754124.b3lyp_6-31g(d).qchem.inp (generated)

000754124.b3lyp_6-31g(d).gjf (generated)

000754124.b3lyp_6-31g(d).firefly.inp (generated)

000754124.b3lyp_6-31g(d).smash.inp (generated)

000754124.b3lyp_6-31g(d).nwchem.inp (generated) 000754124.b3lyp_6-31g(d).log.xz 000754124.td-b3lyp_6-31g+(d).inp 000754124.td-b3lyp_6-31g+(d).log.xz

000754124.td-b3lyp_6-31+g(d).qchem.inp (generated)

000754124.td-b3lyp_6-31+g(d).gjf (generated)

000754124.td-b3lyp_6-31+g(d).firefly.inp (generated)

000754124.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000754124.mol 000754124.PUBCHEM 000754124.mol (via Jmol)
000754142.b3lyp_6-31g(d).inp

000754142.b3lyp_6-31g(d).qchem.inp (generated)

000754142.b3lyp_6-31g(d).gjf (generated)

000754142.b3lyp_6-31g(d).firefly.inp (generated)

000754142.b3lyp_6-31g(d).smash.inp (generated)

000754142.b3lyp_6-31g(d).nwchem.inp (generated) 000754142.b3lyp_6-31g(d).log.xz 000754142.td-b3lyp_6-31g+(d).inp 000754142.td-b3lyp_6-31g+(d).log.xz

000754142.td-b3lyp_6-31+g(d).qchem.inp (generated)

000754142.td-b3lyp_6-31+g(d).gjf (generated)

000754142.td-b3lyp_6-31+g(d).firefly.inp (generated)

000754142.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000754142.mol 000754142.PUBCHEM 000754142.mol (via Jmol)
000754143.b3lyp_6-31g(d).inp

000754143.b3lyp_6-31g(d).qchem.inp (generated)

000754143.b3lyp_6-31g(d).gjf (generated)

000754143.b3lyp_6-31g(d).firefly.inp (generated)

000754143.b3lyp_6-31g(d).smash.inp (generated)

000754143.b3lyp_6-31g(d).nwchem.inp (generated) 000754143.b3lyp_6-31g(d).log.xz 000754143.td-b3lyp_6-31g+(d).inp 000754143.td-b3lyp_6-31g+(d).log.xz

000754143.td-b3lyp_6-31+g(d).qchem.inp (generated)

000754143.td-b3lyp_6-31+g(d).gjf (generated)

000754143.td-b3lyp_6-31+g(d).firefly.inp (generated)

000754143.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000754143.mol 000754143.PUBCHEM 000754143.mol (via Jmol)
000754217.b3lyp_6-31g(d).inp

000754217.b3lyp_6-31g(d).qchem.inp (generated)

000754217.b3lyp_6-31g(d).gjf (generated)

000754217.b3lyp_6-31g(d).firefly.inp (generated)

000754217.b3lyp_6-31g(d).smash.inp (generated)

000754217.b3lyp_6-31g(d).nwchem.inp (generated) 000754217.b3lyp_6-31g(d).log.xz 000754217.td-b3lyp_6-31g+(d).inp 000754217.td-b3lyp_6-31g+(d).log.xz

000754217.td-b3lyp_6-31+g(d).qchem.inp (generated)

000754217.td-b3lyp_6-31+g(d).gjf (generated)

000754217.td-b3lyp_6-31+g(d).firefly.inp (generated)

000754217.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000754217.mol 000754217.PUBCHEM 000754217.mol (via Jmol)
000754230.b3lyp_6-31g(d).inp

000754230.b3lyp_6-31g(d).qchem.inp (generated)

000754230.b3lyp_6-31g(d).gjf (generated)

000754230.b3lyp_6-31g(d).firefly.inp (generated)

000754230.b3lyp_6-31g(d).smash.inp (generated)

000754230.b3lyp_6-31g(d).nwchem.inp (generated) 000754230.b3lyp_6-31g(d).log.xz 000754230.td-b3lyp_6-31g+(d).inp 000754230.td-b3lyp_6-31g+(d).log.xz

000754230.td-b3lyp_6-31+g(d).qchem.inp (generated)

000754230.td-b3lyp_6-31+g(d).gjf (generated)

000754230.td-b3lyp_6-31+g(d).firefly.inp (generated)

000754230.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000754230.mol 000754230.PUBCHEM 000754230.mol (via Jmol)
000754233.b3lyp_6-31g(d).inp

000754233.b3lyp_6-31g(d).qchem.inp (generated)

000754233.b3lyp_6-31g(d).gjf (generated)

000754233.b3lyp_6-31g(d).firefly.inp (generated)

000754233.b3lyp_6-31g(d).smash.inp (generated)

000754233.b3lyp_6-31g(d).nwchem.inp (generated) 000754233.b3lyp_6-31g(d).log.xz 000754233.td-b3lyp_6-31g+(d).inp 000754233.td-b3lyp_6-31g+(d).log.xz

000754233.td-b3lyp_6-31+g(d).qchem.inp (generated)

000754233.td-b3lyp_6-31+g(d).gjf (generated)

000754233.td-b3lyp_6-31+g(d).firefly.inp (generated)

000754233.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000754233.mol 000754233.PUBCHEM 000754233.mol (via Jmol)
000754264.b3lyp_6-31g(d).inp

000754264.b3lyp_6-31g(d).qchem.inp (generated)

000754264.b3lyp_6-31g(d).gjf (generated)

000754264.b3lyp_6-31g(d).firefly.inp (generated)

000754264.b3lyp_6-31g(d).smash.inp (generated)

000754264.b3lyp_6-31g(d).nwchem.inp (generated) 000754264.b3lyp_6-31g(d).log.xz 000754264.td-b3lyp_6-31g+(d).inp 000754264.td-b3lyp_6-31g+(d).log.xz

000754264.td-b3lyp_6-31+g(d).qchem.inp (generated)

000754264.td-b3lyp_6-31+g(d).gjf (generated)

000754264.td-b3lyp_6-31+g(d).firefly.inp (generated)

000754264.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000754264.mol 000754264.PUBCHEM 000754264.mol (via Jmol)
000754266.b3lyp_6-31g(d).inp

000754266.b3lyp_6-31g(d).qchem.inp (generated)

000754266.b3lyp_6-31g(d).gjf (generated)

000754266.b3lyp_6-31g(d).firefly.inp (generated)

000754266.b3lyp_6-31g(d).smash.inp (generated)

000754266.b3lyp_6-31g(d).nwchem.inp (generated) 000754266.b3lyp_6-31g(d).log.xz 000754266.td-b3lyp_6-31g+(d).inp 000754266.td-b3lyp_6-31g+(d).log.xz

000754266.td-b3lyp_6-31+g(d).qchem.inp (generated)

000754266.td-b3lyp_6-31+g(d).gjf (generated)

000754266.td-b3lyp_6-31+g(d).firefly.inp (generated)

000754266.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000754266.mol 000754266.PUBCHEM 000754266.mol (via Jmol)
000754295.b3lyp_6-31g(d).inp

000754295.b3lyp_6-31g(d).qchem.inp (generated)

000754295.b3lyp_6-31g(d).gjf (generated)

000754295.b3lyp_6-31g(d).firefly.inp (generated)

000754295.b3lyp_6-31g(d).smash.inp (generated)

000754295.b3lyp_6-31g(d).nwchem.inp (generated) 000754295.b3lyp_6-31g(d).log.xz 000754295.td-b3lyp_6-31g+(d).inp 000754295.td-b3lyp_6-31g+(d).log.xz

000754295.td-b3lyp_6-31+g(d).qchem.inp (generated)

000754295.td-b3lyp_6-31+g(d).gjf (generated)

000754295.td-b3lyp_6-31+g(d).firefly.inp (generated)

000754295.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000754295.mol 000754295.PUBCHEM 000754295.mol (via Jmol)
000754298.b3lyp_6-31g(d).inp

000754298.b3lyp_6-31g(d).qchem.inp (generated)

000754298.b3lyp_6-31g(d).gjf (generated)

000754298.b3lyp_6-31g(d).firefly.inp (generated)

000754298.b3lyp_6-31g(d).smash.inp (generated)

000754298.b3lyp_6-31g(d).nwchem.inp (generated) 000754298.b3lyp_6-31g(d).log.xz 000754298.td-b3lyp_6-31g+(d).inp 000754298.td-b3lyp_6-31g+(d).log.xz

000754298.td-b3lyp_6-31+g(d).qchem.inp (generated)

000754298.td-b3lyp_6-31+g(d).gjf (generated)

000754298.td-b3lyp_6-31+g(d).firefly.inp (generated)

000754298.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000754298.mol 000754298.PUBCHEM 000754298.mol (via Jmol)
000754322.b3lyp_6-31g(d).inp

000754322.b3lyp_6-31g(d).qchem.inp (generated)

000754322.b3lyp_6-31g(d).gjf (generated)

000754322.b3lyp_6-31g(d).firefly.inp (generated)

000754322.b3lyp_6-31g(d).smash.inp (generated)

000754322.b3lyp_6-31g(d).nwchem.inp (generated) 000754322.b3lyp_6-31g(d).log.xz 000754322.mol 000754322.PUBCHEM 000754322.mol (via Jmol)
000754324.b3lyp_6-31g(d).inp

000754324.b3lyp_6-31g(d).qchem.inp (generated)

000754324.b3lyp_6-31g(d).gjf (generated)

000754324.b3lyp_6-31g(d).firefly.inp (generated)

000754324.b3lyp_6-31g(d).smash.inp (generated)

000754324.b3lyp_6-31g(d).nwchem.inp (generated) 000754324.b3lyp_6-31g(d).log.xz 000754324.mol 000754324.PUBCHEM 000754324.mol (via Jmol)
000754364.b3lyp_6-31g(d).inp

000754364.b3lyp_6-31g(d).qchem.inp (generated)

000754364.b3lyp_6-31g(d).gjf (generated)

000754364.b3lyp_6-31g(d).firefly.inp (generated)

000754364.b3lyp_6-31g(d).smash.inp (generated)

000754364.b3lyp_6-31g(d).nwchem.inp (generated) 000754364.b3lyp_6-31g(d).log.xz 000754364.td-b3lyp_6-31g+(d).inp 000754364.td-b3lyp_6-31g+(d).log.xz

000754364.td-b3lyp_6-31+g(d).qchem.inp (generated)

000754364.td-b3lyp_6-31+g(d).gjf (generated)

000754364.td-b3lyp_6-31+g(d).firefly.inp (generated)

000754364.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000754364.mol 000754364.PUBCHEM 000754364.mol (via Jmol)
000754367.b3lyp_6-31g(d).inp

000754367.b3lyp_6-31g(d).qchem.inp (generated)

000754367.b3lyp_6-31g(d).gjf (generated)

000754367.b3lyp_6-31g(d).firefly.inp (generated)

000754367.b3lyp_6-31g(d).smash.inp (generated)

000754367.b3lyp_6-31g(d).nwchem.inp (generated) 000754367.b3lyp_6-31g(d).log.xz 000754367.td-b3lyp_6-31g+(d).inp 000754367.td-b3lyp_6-31g+(d).log.xz

000754367.td-b3lyp_6-31+g(d).qchem.inp (generated)

000754367.td-b3lyp_6-31+g(d).gjf (generated)

000754367.td-b3lyp_6-31+g(d).firefly.inp (generated)

000754367.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000754367.mol 000754367.PUBCHEM 000754367.mol (via Jmol)
000754376.b3lyp_6-31g(d).inp

000754376.b3lyp_6-31g(d).qchem.inp (generated)

000754376.b3lyp_6-31g(d).gjf (generated)

000754376.b3lyp_6-31g(d).firefly.inp (generated)

000754376.b3lyp_6-31g(d).smash.inp (generated)

000754376.b3lyp_6-31g(d).nwchem.inp (generated) 000754376.b3lyp_6-31g(d).log.xz 000754376.td-b3lyp_6-31g+(d).inp 000754376.td-b3lyp_6-31g+(d).log.xz

000754376.td-b3lyp_6-31+g(d).qchem.inp (generated)

000754376.td-b3lyp_6-31+g(d).gjf (generated)

000754376.td-b3lyp_6-31+g(d).firefly.inp (generated)

000754376.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000754376.mol 000754376.PUBCHEM 000754376.mol (via Jmol)
000754442.b3lyp_6-31g(d).inp

000754442.b3lyp_6-31g(d).qchem.inp (generated)

000754442.b3lyp_6-31g(d).gjf (generated)

000754442.b3lyp_6-31g(d).firefly.inp (generated)

000754442.b3lyp_6-31g(d).smash.inp (generated)

000754442.b3lyp_6-31g(d).nwchem.inp (generated) 000754442.b3lyp_6-31g(d).log.xz 000754442.mol 000754442.PUBCHEM 000754442.mol (via Jmol)
000754445.b3lyp_6-31g(d).inp

000754445.b3lyp_6-31g(d).qchem.inp (generated)

000754445.b3lyp_6-31g(d).gjf (generated)

000754445.b3lyp_6-31g(d).firefly.inp (generated)

000754445.b3lyp_6-31g(d).smash.inp (generated)

000754445.b3lyp_6-31g(d).nwchem.inp (generated) 000754445.b3lyp_6-31g(d).log.xz 000754445.td-b3lyp_6-31g+(d).inp 000754445.td-b3lyp_6-31g+(d).log.xz

000754445.td-b3lyp_6-31+g(d).qchem.inp (generated)

000754445.td-b3lyp_6-31+g(d).gjf (generated)

000754445.td-b3lyp_6-31+g(d).firefly.inp (generated)

000754445.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000754445.mol 000754445.PUBCHEM 000754445.mol (via Jmol)
000754448.b3lyp_6-31g(d).inp

000754448.b3lyp_6-31g(d).qchem.inp (generated)

000754448.b3lyp_6-31g(d).gjf (generated)

000754448.b3lyp_6-31g(d).firefly.inp (generated)

000754448.b3lyp_6-31g(d).smash.inp (generated)

000754448.b3lyp_6-31g(d).nwchem.inp (generated) 000754448.b3lyp_6-31g(d).log.xz 000754448.td-b3lyp_6-31g+(d).inp 000754448.td-b3lyp_6-31g+(d).log.xz

000754448.td-b3lyp_6-31+g(d).qchem.inp (generated)

000754448.td-b3lyp_6-31+g(d).gjf (generated)

000754448.td-b3lyp_6-31+g(d).firefly.inp (generated)

000754448.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000754448.mol 000754448.PUBCHEM 000754448.mol (via Jmol)
000754479.b3lyp_6-31g(d).inp

000754479.b3lyp_6-31g(d).qchem.inp (generated)

000754479.b3lyp_6-31g(d).gjf (generated)

000754479.b3lyp_6-31g(d).firefly.inp (generated)

000754479.b3lyp_6-31g(d).smash.inp (generated)

000754479.b3lyp_6-31g(d).nwchem.inp (generated) 000754479.b3lyp_6-31g(d).log.xz 000754479.mol 000754479.PUBCHEM 000754479.mol (via Jmol)
000754500.b3lyp_6-31g(d).inp

000754500.b3lyp_6-31g(d).qchem.inp (generated)

000754500.b3lyp_6-31g(d).gjf (generated)

000754500.b3lyp_6-31g(d).firefly.inp (generated)

000754500.b3lyp_6-31g(d).smash.inp (generated)

000754500.b3lyp_6-31g(d).nwchem.inp (generated) 000754500.b3lyp_6-31g(d).log.xz 000754500.mol 000754500.PUBCHEM 000754500.mol (via Jmol)
000754532.b3lyp_6-31g(d).inp

000754532.b3lyp_6-31g(d).qchem.inp (generated)

000754532.b3lyp_6-31g(d).gjf (generated)

000754532.b3lyp_6-31g(d).firefly.inp (generated)

000754532.b3lyp_6-31g(d).smash.inp (generated)

000754532.b3lyp_6-31g(d).nwchem.inp (generated) 000754532.b3lyp_6-31g(d).log.xz 000754532.mol 000754532.PUBCHEM 000754532.mol (via Jmol)
000754533.b3lyp_6-31g(d).inp

000754533.b3lyp_6-31g(d).qchem.inp (generated)

000754533.b3lyp_6-31g(d).gjf (generated)

000754533.b3lyp_6-31g(d).firefly.inp (generated)

000754533.b3lyp_6-31g(d).smash.inp (generated)

000754533.b3lyp_6-31g(d).nwchem.inp (generated) 000754533.b3lyp_6-31g(d).log.xz 000754533.mol 000754533.PUBCHEM 000754533.mol (via Jmol)
000754546.b3lyp_6-31g(d).inp

000754546.b3lyp_6-31g(d).qchem.inp (generated)

000754546.b3lyp_6-31g(d).gjf (generated)

000754546.b3lyp_6-31g(d).firefly.inp (generated)

000754546.b3lyp_6-31g(d).smash.inp (generated)

000754546.b3lyp_6-31g(d).nwchem.inp (generated) 000754546.b3lyp_6-31g(d).log.xz 000754546.td-b3lyp_6-31g+(d).inp 000754546.td-b3lyp_6-31g+(d).log.xz

000754546.td-b3lyp_6-31+g(d).qchem.inp (generated)

000754546.td-b3lyp_6-31+g(d).gjf (generated)

000754546.td-b3lyp_6-31+g(d).firefly.inp (generated)

000754546.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000754546.mol 000754546.PUBCHEM 000754546.mol (via Jmol)
000754575.b3lyp_6-31g(d).inp

000754575.b3lyp_6-31g(d).qchem.inp (generated)

000754575.b3lyp_6-31g(d).gjf (generated)

000754575.b3lyp_6-31g(d).firefly.inp (generated)

000754575.b3lyp_6-31g(d).smash.inp (generated)

000754575.b3lyp_6-31g(d).nwchem.inp (generated) 000754575.b3lyp_6-31g(d).log.xz 000754575.td-b3lyp_6-31g+(d).inp 000754575.td-b3lyp_6-31g+(d).log.xz

000754575.td-b3lyp_6-31+g(d).qchem.inp (generated)

000754575.td-b3lyp_6-31+g(d).gjf (generated)

000754575.td-b3lyp_6-31+g(d).firefly.inp (generated)

000754575.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000754575.mol 000754575.PUBCHEM 000754575.mol (via Jmol)
000754577.b3lyp_6-31g(d).inp

000754577.b3lyp_6-31g(d).qchem.inp (generated)

000754577.b3lyp_6-31g(d).gjf (generated)

000754577.b3lyp_6-31g(d).firefly.inp (generated)

000754577.b3lyp_6-31g(d).smash.inp (generated)

000754577.b3lyp_6-31g(d).nwchem.inp (generated) 000754577.b3lyp_6-31g(d).log.xz 000754577.td-b3lyp_6-31g+(d).inp 000754577.td-b3lyp_6-31g+(d).log.xz

000754577.td-b3lyp_6-31+g(d).qchem.inp (generated)

000754577.td-b3lyp_6-31+g(d).gjf (generated)

000754577.td-b3lyp_6-31+g(d).firefly.inp (generated)

000754577.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000754577.mol 000754577.PUBCHEM 000754577.mol (via Jmol)
000754580.b3lyp_6-31g(d).inp

000754580.b3lyp_6-31g(d).qchem.inp (generated)

000754580.b3lyp_6-31g(d).gjf (generated)

000754580.b3lyp_6-31g(d).firefly.inp (generated)

000754580.b3lyp_6-31g(d).smash.inp (generated)

000754580.b3lyp_6-31g(d).nwchem.inp (generated) 000754580.b3lyp_6-31g(d).log.xz 000754580.mol 000754580.PUBCHEM 000754580.mol (via Jmol)
000754591.b3lyp_6-31g(d).inp

000754591.b3lyp_6-31g(d).qchem.inp (generated)

000754591.b3lyp_6-31g(d).gjf (generated)

000754591.b3lyp_6-31g(d).firefly.inp (generated)

000754591.b3lyp_6-31g(d).smash.inp (generated)

000754591.b3lyp_6-31g(d).nwchem.inp (generated) 000754591.b3lyp_6-31g(d).log.xz 000754591.mol 000754591.PUBCHEM 000754591.mol (via Jmol)
000754592.b3lyp_6-31g(d).inp

000754592.b3lyp_6-31g(d).qchem.inp (generated)

000754592.b3lyp_6-31g(d).gjf (generated)

000754592.b3lyp_6-31g(d).firefly.inp (generated)

000754592.b3lyp_6-31g(d).smash.inp (generated)

000754592.b3lyp_6-31g(d).nwchem.inp (generated) 000754592.b3lyp_6-31g(d).log.xz 000754592.mol 000754592.PUBCHEM 000754592.mol (via Jmol)
000754593.b3lyp_6-31g(d).inp

000754593.b3lyp_6-31g(d).qchem.inp (generated)

000754593.b3lyp_6-31g(d).gjf (generated)

000754593.b3lyp_6-31g(d).firefly.inp (generated)

000754593.b3lyp_6-31g(d).smash.inp (generated)

000754593.b3lyp_6-31g(d).nwchem.inp (generated) 000754593.b3lyp_6-31g(d).log.xz 000754593.mol 000754593.PUBCHEM 000754593.mol (via Jmol)
000754625.b3lyp_6-31g(d).inp

000754625.b3lyp_6-31g(d).qchem.inp (generated)

000754625.b3lyp_6-31g(d).gjf (generated)

000754625.b3lyp_6-31g(d).firefly.inp (generated)

000754625.b3lyp_6-31g(d).smash.inp (generated)

000754625.b3lyp_6-31g(d).nwchem.inp (generated) 000754625.b3lyp_6-31g(d).log.xz 000754625.td-b3lyp_6-31g+(d).inp 000754625.td-b3lyp_6-31g+(d).log.xz

000754625.td-b3lyp_6-31+g(d).qchem.inp (generated)

000754625.td-b3lyp_6-31+g(d).gjf (generated)

000754625.td-b3lyp_6-31+g(d).firefly.inp (generated)

000754625.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000754625.mol 000754625.PUBCHEM 000754625.mol (via Jmol)
000754626.b3lyp_6-31g(d).inp

000754626.b3lyp_6-31g(d).qchem.inp (generated)

000754626.b3lyp_6-31g(d).gjf (generated)

000754626.b3lyp_6-31g(d).firefly.inp (generated)

000754626.b3lyp_6-31g(d).smash.inp (generated)

000754626.b3lyp_6-31g(d).nwchem.inp (generated) 000754626.b3lyp_6-31g(d).log.xz 000754626.td-b3lyp_6-31g+(d).inp 000754626.td-b3lyp_6-31g+(d).log.xz

000754626.td-b3lyp_6-31+g(d).qchem.inp (generated)

000754626.td-b3lyp_6-31+g(d).gjf (generated)

000754626.td-b3lyp_6-31+g(d).firefly.inp (generated)

000754626.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000754626.mol 000754626.PUBCHEM 000754626.mol (via Jmol)
000754671.b3lyp_6-31g(d).inp

000754671.b3lyp_6-31g(d).qchem.inp (generated)

000754671.b3lyp_6-31g(d).gjf (generated)

000754671.b3lyp_6-31g(d).firefly.inp (generated)

000754671.b3lyp_6-31g(d).smash.inp (generated)

000754671.b3lyp_6-31g(d).nwchem.inp (generated) 000754671.b3lyp_6-31g(d).log.xz 000754671.mol 000754671.PUBCHEM 000754671.mol (via Jmol)
000754713.b3lyp_6-31g(d).inp

000754713.b3lyp_6-31g(d).qchem.inp (generated)

000754713.b3lyp_6-31g(d).gjf (generated)

000754713.b3lyp_6-31g(d).firefly.inp (generated)

000754713.b3lyp_6-31g(d).smash.inp (generated)

000754713.b3lyp_6-31g(d).nwchem.inp (generated) 000754713.b3lyp_6-31g(d).log.xz 000754713.td-b3lyp_6-31g+(d).inp 000754713.td-b3lyp_6-31g+(d).log.xz

000754713.td-b3lyp_6-31+g(d).qchem.inp (generated)

000754713.td-b3lyp_6-31+g(d).gjf (generated)

000754713.td-b3lyp_6-31+g(d).firefly.inp (generated)

000754713.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000754713.mol 000754713.PUBCHEM 000754713.mol (via Jmol)
000754723.b3lyp_6-31g(d).inp

000754723.b3lyp_6-31g(d).qchem.inp (generated)

000754723.b3lyp_6-31g(d).gjf (generated)

000754723.b3lyp_6-31g(d).firefly.inp (generated)

000754723.b3lyp_6-31g(d).smash.inp (generated)

000754723.b3lyp_6-31g(d).nwchem.inp (generated) 000754723.b3lyp_6-31g(d).log.xz 000754723.td-b3lyp_6-31g+(d).inp 000754723.td-b3lyp_6-31g+(d).log.xz

000754723.td-b3lyp_6-31+g(d).qchem.inp (generated)

000754723.td-b3lyp_6-31+g(d).gjf (generated)

000754723.td-b3lyp_6-31+g(d).firefly.inp (generated)

000754723.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000754723.mol 000754723.PUBCHEM 000754723.mol (via Jmol)
000754738.b3lyp_6-31g(d).inp

000754738.b3lyp_6-31g(d).qchem.inp (generated)

000754738.b3lyp_6-31g(d).gjf (generated)

000754738.b3lyp_6-31g(d).firefly.inp (generated)

000754738.b3lyp_6-31g(d).smash.inp (generated)

000754738.b3lyp_6-31g(d).nwchem.inp (generated) 000754738.b3lyp_6-31g(d).log.xz 000754738.td-b3lyp_6-31g+(d).inp 000754738.td-b3lyp_6-31g+(d).log.xz

000754738.td-b3lyp_6-31+g(d).qchem.inp (generated)

000754738.td-b3lyp_6-31+g(d).gjf (generated)

000754738.td-b3lyp_6-31+g(d).firefly.inp (generated)

000754738.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000754738.mol 000754738.PUBCHEM 000754738.mol (via Jmol)
000754742.b3lyp_6-31g(d).inp

000754742.b3lyp_6-31g(d).qchem.inp (generated)

000754742.b3lyp_6-31g(d).gjf (generated)

000754742.b3lyp_6-31g(d).firefly.inp (generated)

000754742.b3lyp_6-31g(d).smash.inp (generated)

000754742.b3lyp_6-31g(d).nwchem.inp (generated) 000754742.b3lyp_6-31g(d).log.xz 000754742.td-b3lyp_6-31g+(d).inp 000754742.td-b3lyp_6-31g+(d).log.xz

000754742.td-b3lyp_6-31+g(d).qchem.inp (generated)

000754742.td-b3lyp_6-31+g(d).gjf (generated)

000754742.td-b3lyp_6-31+g(d).firefly.inp (generated)

000754742.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000754742.mol 000754742.PUBCHEM 000754742.mol (via Jmol)
000754750.b3lyp_6-31g(d).inp

000754750.b3lyp_6-31g(d).qchem.inp (generated)

000754750.b3lyp_6-31g(d).gjf (generated)

000754750.b3lyp_6-31g(d).firefly.inp (generated)

000754750.b3lyp_6-31g(d).smash.inp (generated)

000754750.b3lyp_6-31g(d).nwchem.inp (generated) 000754750.b3lyp_6-31g(d).log.xz 000754750.mol 000754750.PUBCHEM 000754750.mol (via Jmol)
000754758.b3lyp_6-31g(d).inp

000754758.b3lyp_6-31g(d).qchem.inp (generated)

000754758.b3lyp_6-31g(d).gjf (generated)

000754758.b3lyp_6-31g(d).firefly.inp (generated)

000754758.b3lyp_6-31g(d).smash.inp (generated)

000754758.b3lyp_6-31g(d).nwchem.inp (generated) 000754758.b3lyp_6-31g(d).log.xz 000754758.td-b3lyp_6-31g+(d).inp 000754758.td-b3lyp_6-31g+(d).log.xz

000754758.td-b3lyp_6-31+g(d).qchem.inp (generated)

000754758.td-b3lyp_6-31+g(d).gjf (generated)

000754758.td-b3lyp_6-31+g(d).firefly.inp (generated)

000754758.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000754758.mol 000754758.PUBCHEM 000754758.mol (via Jmol)
000754770.b3lyp_6-31g(d).inp

000754770.b3lyp_6-31g(d).qchem.inp (generated)

000754770.b3lyp_6-31g(d).gjf (generated)

000754770.b3lyp_6-31g(d).firefly.inp (generated)

000754770.b3lyp_6-31g(d).smash.inp (generated)

000754770.b3lyp_6-31g(d).nwchem.inp (generated) 000754770.b3lyp_6-31g(d).log.xz 000754770.mol 000754770.PUBCHEM 000754770.mol (via Jmol)
000754771.b3lyp_6-31g(d).inp

000754771.b3lyp_6-31g(d).qchem.inp (generated)

000754771.b3lyp_6-31g(d).gjf (generated)

000754771.b3lyp_6-31g(d).firefly.inp (generated)

000754771.b3lyp_6-31g(d).smash.inp (generated)

000754771.b3lyp_6-31g(d).nwchem.inp (generated) 000754771.b3lyp_6-31g(d).log.xz 000754771.td-b3lyp_6-31g+(d).inp 000754771.td-b3lyp_6-31g+(d).log.xz

000754771.td-b3lyp_6-31+g(d).qchem.inp (generated)

000754771.td-b3lyp_6-31+g(d).gjf (generated)

000754771.td-b3lyp_6-31+g(d).firefly.inp (generated)

000754771.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000754771.mol 000754771.PUBCHEM 000754771.mol (via Jmol)
000754791.b3lyp_6-31g(d).inp

000754791.b3lyp_6-31g(d).qchem.inp (generated)

000754791.b3lyp_6-31g(d).gjf (generated)

000754791.b3lyp_6-31g(d).firefly.inp (generated)

000754791.b3lyp_6-31g(d).smash.inp (generated)

000754791.b3lyp_6-31g(d).nwchem.inp (generated) 000754791.b3lyp_6-31g(d).log.xz 000754791.td-b3lyp_6-31g+(d).inp 000754791.td-b3lyp_6-31g+(d).log.xz

000754791.td-b3lyp_6-31+g(d).qchem.inp (generated)

000754791.td-b3lyp_6-31+g(d).gjf (generated)

000754791.td-b3lyp_6-31+g(d).firefly.inp (generated)

000754791.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000754791.mol 000754791.PUBCHEM 000754791.mol (via Jmol)
000754792.b3lyp_6-31g(d).inp

000754792.b3lyp_6-31g(d).qchem.inp (generated)

000754792.b3lyp_6-31g(d).gjf (generated)

000754792.b3lyp_6-31g(d).firefly.inp (generated)

000754792.b3lyp_6-31g(d).smash.inp (generated)

000754792.b3lyp_6-31g(d).nwchem.inp (generated) 000754792.b3lyp_6-31g(d).log.xz 000754792.td-b3lyp_6-31g+(d).inp 000754792.td-b3lyp_6-31g+(d).log.xz

000754792.td-b3lyp_6-31+g(d).qchem.inp (generated)

000754792.td-b3lyp_6-31+g(d).gjf (generated)

000754792.td-b3lyp_6-31+g(d).firefly.inp (generated)

000754792.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000754792.mol 000754792.PUBCHEM 000754792.mol (via Jmol)
000754795.b3lyp_6-31g(d).inp

000754795.b3lyp_6-31g(d).qchem.inp (generated)

000754795.b3lyp_6-31g(d).gjf (generated)

000754795.b3lyp_6-31g(d).firefly.inp (generated)

000754795.b3lyp_6-31g(d).smash.inp (generated)

000754795.b3lyp_6-31g(d).nwchem.inp (generated) 000754795.b3lyp_6-31g(d).log.xz 000754795.mol 000754795.PUBCHEM 000754795.mol (via Jmol)
000754799.b3lyp_6-31g(d).inp

000754799.b3lyp_6-31g(d).qchem.inp (generated)

000754799.b3lyp_6-31g(d).gjf (generated)

000754799.b3lyp_6-31g(d).firefly.inp (generated)

000754799.b3lyp_6-31g(d).smash.inp (generated)

000754799.b3lyp_6-31g(d).nwchem.inp (generated) 000754799.b3lyp_6-31g(d).log.xz 000754799.mol 000754799.PUBCHEM 000754799.mol (via Jmol)
000754823.b3lyp_6-31g(d).inp

000754823.b3lyp_6-31g(d).qchem.inp (generated)

000754823.b3lyp_6-31g(d).gjf (generated)

000754823.b3lyp_6-31g(d).firefly.inp (generated)

000754823.b3lyp_6-31g(d).smash.inp (generated)

000754823.b3lyp_6-31g(d).nwchem.inp (generated) 000754823.b3lyp_6-31g(d).log.xz 000754823.td-b3lyp_6-31g+(d).inp 000754823.td-b3lyp_6-31g+(d).log.xz

000754823.td-b3lyp_6-31+g(d).qchem.inp (generated)

000754823.td-b3lyp_6-31+g(d).gjf (generated)

000754823.td-b3lyp_6-31+g(d).firefly.inp (generated)

000754823.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000754823.mol 000754823.PUBCHEM 000754823.mol (via Jmol)
000754828.b3lyp_6-31g(d).inp

000754828.b3lyp_6-31g(d).qchem.inp (generated)

000754828.b3lyp_6-31g(d).gjf (generated)

000754828.b3lyp_6-31g(d).firefly.inp (generated)

000754828.b3lyp_6-31g(d).smash.inp (generated)

000754828.b3lyp_6-31g(d).nwchem.inp (generated) 000754828.b3lyp_6-31g(d).log.xz 000754828.td-b3lyp_6-31g+(d).inp 000754828.td-b3lyp_6-31g+(d).log.xz

000754828.td-b3lyp_6-31+g(d).qchem.inp (generated)

000754828.td-b3lyp_6-31+g(d).gjf (generated)

000754828.td-b3lyp_6-31+g(d).firefly.inp (generated)

000754828.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000754828.mol 000754828.PUBCHEM 000754828.mol (via Jmol)
000754832.b3lyp_6-31g(d).inp

000754832.b3lyp_6-31g(d).qchem.inp (generated)

000754832.b3lyp_6-31g(d).gjf (generated)

000754832.b3lyp_6-31g(d).firefly.inp (generated)

000754832.b3lyp_6-31g(d).smash.inp (generated)

000754832.b3lyp_6-31g(d).nwchem.inp (generated) 000754832.b3lyp_6-31g(d).log.xz 000754832.td-b3lyp_6-31g+(d).inp 000754832.td-b3lyp_6-31g+(d).log.xz

000754832.td-b3lyp_6-31+g(d).qchem.inp (generated)

000754832.td-b3lyp_6-31+g(d).gjf (generated)

000754832.td-b3lyp_6-31+g(d).firefly.inp (generated)

000754832.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000754832.mol 000754832.PUBCHEM 000754832.mol (via Jmol)
000754833.b3lyp_6-31g(d).inp

000754833.b3lyp_6-31g(d).qchem.inp (generated)

000754833.b3lyp_6-31g(d).gjf (generated)

000754833.b3lyp_6-31g(d).firefly.inp (generated)

000754833.b3lyp_6-31g(d).smash.inp (generated)

000754833.b3lyp_6-31g(d).nwchem.inp (generated) 000754833.b3lyp_6-31g(d).log.xz 000754833.td-b3lyp_6-31g+(d).inp 000754833.td-b3lyp_6-31g+(d).log.xz

000754833.td-b3lyp_6-31+g(d).qchem.inp (generated)

000754833.td-b3lyp_6-31+g(d).gjf (generated)

000754833.td-b3lyp_6-31+g(d).firefly.inp (generated)

000754833.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000754833.mol 000754833.PUBCHEM 000754833.mol (via Jmol)
000754866.b3lyp_6-31g(d).inp

000754866.b3lyp_6-31g(d).qchem.inp (generated)

000754866.b3lyp_6-31g(d).gjf (generated)

000754866.b3lyp_6-31g(d).firefly.inp (generated)

000754866.b3lyp_6-31g(d).smash.inp (generated)

000754866.b3lyp_6-31g(d).nwchem.inp (generated) 000754866.b3lyp_6-31g(d).log.xz 000754866.td-b3lyp_6-31g+(d).inp 000754866.td-b3lyp_6-31g+(d).log.xz

000754866.td-b3lyp_6-31+g(d).qchem.inp (generated)

000754866.td-b3lyp_6-31+g(d).gjf (generated)

000754866.td-b3lyp_6-31+g(d).firefly.inp (generated)

000754866.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000754866.mol 000754866.PUBCHEM 000754866.mol (via Jmol)
000754889.b3lyp_6-31g(d).inp

000754889.b3lyp_6-31g(d).qchem.inp (generated)

000754889.b3lyp_6-31g(d).gjf (generated)

000754889.b3lyp_6-31g(d).firefly.inp (generated)

000754889.b3lyp_6-31g(d).smash.inp (generated)

000754889.b3lyp_6-31g(d).nwchem.inp (generated) 000754889.b3lyp_6-31g(d).log.xz 000754889.td-b3lyp_6-31g+(d).inp 000754889.td-b3lyp_6-31g+(d).log.xz

000754889.td-b3lyp_6-31+g(d).qchem.inp (generated)

000754889.td-b3lyp_6-31+g(d).gjf (generated)

000754889.td-b3lyp_6-31+g(d).firefly.inp (generated)

000754889.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000754889.mol 000754889.PUBCHEM 000754889.mol (via Jmol)
000754902.b3lyp_6-31g(d).inp

000754902.b3lyp_6-31g(d).qchem.inp (generated)

000754902.b3lyp_6-31g(d).gjf (generated)

000754902.b3lyp_6-31g(d).firefly.inp (generated)

000754902.b3lyp_6-31g(d).smash.inp (generated)

000754902.b3lyp_6-31g(d).nwchem.inp (generated) 000754902.b3lyp_6-31g(d).log.xz 000754902.td-b3lyp_6-31g+(d).inp 000754902.td-b3lyp_6-31g+(d).log.xz

000754902.td-b3lyp_6-31+g(d).qchem.inp (generated)

000754902.td-b3lyp_6-31+g(d).gjf (generated)

000754902.td-b3lyp_6-31+g(d).firefly.inp (generated)

000754902.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000754902.mol 000754902.PUBCHEM 000754902.mol (via Jmol)
000754911.b3lyp_6-31g(d).inp

000754911.b3lyp_6-31g(d).qchem.inp (generated)

000754911.b3lyp_6-31g(d).gjf (generated)

000754911.b3lyp_6-31g(d).firefly.inp (generated)

000754911.b3lyp_6-31g(d).smash.inp (generated)

000754911.b3lyp_6-31g(d).nwchem.inp (generated) 000754911.b3lyp_6-31g(d).log.xz 000754911.td-b3lyp_6-31g+(d).inp 000754911.td-b3lyp_6-31g+(d).log.xz

000754911.td-b3lyp_6-31+g(d).qchem.inp (generated)

000754911.td-b3lyp_6-31+g(d).gjf (generated)

000754911.td-b3lyp_6-31+g(d).firefly.inp (generated)

000754911.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000754911.mol 000754911.PUBCHEM 000754911.mol (via Jmol)
000754913.b3lyp_6-31g(d).inp

000754913.b3lyp_6-31g(d).qchem.inp (generated)

000754913.b3lyp_6-31g(d).gjf (generated)

000754913.b3lyp_6-31g(d).firefly.inp (generated)

000754913.b3lyp_6-31g(d).smash.inp (generated)

000754913.b3lyp_6-31g(d).nwchem.inp (generated) 000754913.b3lyp_6-31g(d).log.xz 000754913.td-b3lyp_6-31g+(d).inp 000754913.td-b3lyp_6-31g+(d).log.xz

000754913.td-b3lyp_6-31+g(d).qchem.inp (generated)

000754913.td-b3lyp_6-31+g(d).gjf (generated)

000754913.td-b3lyp_6-31+g(d).firefly.inp (generated)

000754913.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000754913.mol 000754913.PUBCHEM 000754913.mol (via Jmol)
000754914.b3lyp_6-31g(d).inp

000754914.b3lyp_6-31g(d).qchem.inp (generated)

000754914.b3lyp_6-31g(d).gjf (generated)

000754914.b3lyp_6-31g(d).firefly.inp (generated)

000754914.b3lyp_6-31g(d).smash.inp (generated)

000754914.b3lyp_6-31g(d).nwchem.inp (generated) 000754914.b3lyp_6-31g(d).log.xz 000754914.mol 000754914.PUBCHEM 000754914.mol (via Jmol)
000754929.b3lyp_6-31g(d).inp

000754929.b3lyp_6-31g(d).qchem.inp (generated)

000754929.b3lyp_6-31g(d).gjf (generated)

000754929.b3lyp_6-31g(d).firefly.inp (generated)

000754929.b3lyp_6-31g(d).smash.inp (generated)

000754929.b3lyp_6-31g(d).nwchem.inp (generated) 000754929.b3lyp_6-31g(d).log.xz 000754929.mol 000754929.PUBCHEM 000754929.mol (via Jmol)
000754936.b3lyp_6-31g(d).inp

000754936.b3lyp_6-31g(d).qchem.inp (generated)

000754936.b3lyp_6-31g(d).gjf (generated)

000754936.b3lyp_6-31g(d).firefly.inp (generated)

000754936.b3lyp_6-31g(d).smash.inp (generated)

000754936.b3lyp_6-31g(d).nwchem.inp (generated) 000754936.b3lyp_6-31g(d).log.xz 000754936.td-b3lyp_6-31g+(d).inp 000754936.td-b3lyp_6-31g+(d).log.xz

000754936.td-b3lyp_6-31+g(d).qchem.inp (generated)

000754936.td-b3lyp_6-31+g(d).gjf (generated)

000754936.td-b3lyp_6-31+g(d).firefly.inp (generated)

000754936.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000754936.mol 000754936.PUBCHEM 000754936.mol (via Jmol)
000754937.b3lyp_6-31g(d).inp

000754937.b3lyp_6-31g(d).qchem.inp (generated)

000754937.b3lyp_6-31g(d).gjf (generated)

000754937.b3lyp_6-31g(d).firefly.inp (generated)

000754937.b3lyp_6-31g(d).smash.inp (generated)

000754937.b3lyp_6-31g(d).nwchem.inp (generated) 000754937.b3lyp_6-31g(d).log.xz 000754937.mol 000754937.PUBCHEM 000754937.mol (via Jmol)
000754948.b3lyp_6-31g(d).inp

000754948.b3lyp_6-31g(d).qchem.inp (generated)

000754948.b3lyp_6-31g(d).gjf (generated)

000754948.b3lyp_6-31g(d).firefly.inp (generated)

000754948.b3lyp_6-31g(d).smash.inp (generated)

000754948.b3lyp_6-31g(d).nwchem.inp (generated) 000754948.b3lyp_6-31g(d).log.xz 000754948.td-b3lyp_6-31g+(d).inp 000754948.td-b3lyp_6-31g+(d).log.xz

000754948.td-b3lyp_6-31+g(d).qchem.inp (generated)

000754948.td-b3lyp_6-31+g(d).gjf (generated)

000754948.td-b3lyp_6-31+g(d).firefly.inp (generated)

000754948.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000754948.mol 000754948.PUBCHEM 000754948.mol (via Jmol)
000754949.b3lyp_6-31g(d).inp

000754949.b3lyp_6-31g(d).qchem.inp (generated)

000754949.b3lyp_6-31g(d).gjf (generated)

000754949.b3lyp_6-31g(d).firefly.inp (generated)

000754949.b3lyp_6-31g(d).smash.inp (generated)

000754949.b3lyp_6-31g(d).nwchem.inp (generated) 000754949.b3lyp_6-31g(d).log.xz 000754949.td-b3lyp_6-31g+(d).inp 000754949.td-b3lyp_6-31g+(d).log.xz

000754949.td-b3lyp_6-31+g(d).qchem.inp (generated)

000754949.td-b3lyp_6-31+g(d).gjf (generated)

000754949.td-b3lyp_6-31+g(d).firefly.inp (generated)

000754949.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000754949.mol 000754949.PUBCHEM 000754949.mol (via Jmol)
000754959.b3lyp_6-31g(d).inp

000754959.b3lyp_6-31g(d).qchem.inp (generated)

000754959.b3lyp_6-31g(d).gjf (generated)

000754959.b3lyp_6-31g(d).firefly.inp (generated)

000754959.b3lyp_6-31g(d).smash.inp (generated)

000754959.b3lyp_6-31g(d).nwchem.inp (generated) 000754959.b3lyp_6-31g(d).log.xz 000754959.td-b3lyp_6-31g+(d).inp 000754959.td-b3lyp_6-31g+(d).log.xz

000754959.td-b3lyp_6-31+g(d).qchem.inp (generated)

000754959.td-b3lyp_6-31+g(d).gjf (generated)

000754959.td-b3lyp_6-31+g(d).firefly.inp (generated)

000754959.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000754959.mol 000754959.PUBCHEM 000754959.mol (via Jmol)
000754978.b3lyp_6-31g(d).inp

000754978.b3lyp_6-31g(d).qchem.inp (generated)

000754978.b3lyp_6-31g(d).gjf (generated)

000754978.b3lyp_6-31g(d).firefly.inp (generated)

000754978.b3lyp_6-31g(d).smash.inp (generated)

000754978.b3lyp_6-31g(d).nwchem.inp (generated) 000754978.b3lyp_6-31g(d).log.xz 000754978.td-b3lyp_6-31g+(d).inp 000754978.td-b3lyp_6-31g+(d).log.xz

000754978.td-b3lyp_6-31+g(d).qchem.inp (generated)

000754978.td-b3lyp_6-31+g(d).gjf (generated)

000754978.td-b3lyp_6-31+g(d).firefly.inp (generated)

000754978.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000754978.mol 000754978.PUBCHEM 000754978.mol (via Jmol)
000754980.b3lyp_6-31g(d).inp

000754980.b3lyp_6-31g(d).qchem.inp (generated)

000754980.b3lyp_6-31g(d).gjf (generated)

000754980.b3lyp_6-31g(d).firefly.inp (generated)

000754980.b3lyp_6-31g(d).smash.inp (generated)

000754980.b3lyp_6-31g(d).nwchem.inp (generated) 000754980.b3lyp_6-31g(d).log.xz 000754980.td-b3lyp_6-31g+(d).inp 000754980.td-b3lyp_6-31g+(d).log.xz

000754980.td-b3lyp_6-31+g(d).qchem.inp (generated)

000754980.td-b3lyp_6-31+g(d).gjf (generated)

000754980.td-b3lyp_6-31+g(d).firefly.inp (generated)

000754980.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000754980.mol 000754980.PUBCHEM 000754980.mol (via Jmol)
000754984.b3lyp_6-31g(d).inp

000754984.b3lyp_6-31g(d).qchem.inp (generated)

000754984.b3lyp_6-31g(d).gjf (generated)

000754984.b3lyp_6-31g(d).firefly.inp (generated)

000754984.b3lyp_6-31g(d).smash.inp (generated)

000754984.b3lyp_6-31g(d).nwchem.inp (generated) 000754984.b3lyp_6-31g(d).log.xz 000754984.td-b3lyp_6-31g+(d).inp 000754984.td-b3lyp_6-31g+(d).log.xz

000754984.td-b3lyp_6-31+g(d).qchem.inp (generated)

000754984.td-b3lyp_6-31+g(d).gjf (generated)

000754984.td-b3lyp_6-31+g(d).firefly.inp (generated)

000754984.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000754984.mol 000754984.PUBCHEM 000754984.mol (via Jmol)
000754991.b3lyp_6-31g(d).inp

000754991.b3lyp_6-31g(d).qchem.inp (generated)

000754991.b3lyp_6-31g(d).gjf (generated)

000754991.b3lyp_6-31g(d).firefly.inp (generated)

000754991.b3lyp_6-31g(d).smash.inp (generated)

000754991.b3lyp_6-31g(d).nwchem.inp (generated) 000754991.b3lyp_6-31g(d).log.xz 000754991.td-b3lyp_6-31g+(d).inp 000754991.td-b3lyp_6-31g+(d).log.xz

000754991.td-b3lyp_6-31+g(d).qchem.inp (generated)

000754991.td-b3lyp_6-31+g(d).gjf (generated)

000754991.td-b3lyp_6-31+g(d).firefly.inp (generated)

000754991.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000754991.mol 000754991.PUBCHEM 000754991.mol (via Jmol)
000754993.b3lyp_6-31g(d).inp

000754993.b3lyp_6-31g(d).qchem.inp (generated)

000754993.b3lyp_6-31g(d).gjf (generated)

000754993.b3lyp_6-31g(d).firefly.inp (generated)

000754993.b3lyp_6-31g(d).smash.inp (generated)

000754993.b3lyp_6-31g(d).nwchem.inp (generated) 000754993.b3lyp_6-31g(d).log.xz 000754993.td-b3lyp_6-31g+(d).inp 000754993.td-b3lyp_6-31g+(d).log.xz

000754993.td-b3lyp_6-31+g(d).qchem.inp (generated)

000754993.td-b3lyp_6-31+g(d).gjf (generated)

000754993.td-b3lyp_6-31+g(d).firefly.inp (generated)

000754993.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000754993.mol 000754993.PUBCHEM 000754993.mol (via Jmol)
000755000.b3lyp_6-31g(d).inp

000755000.b3lyp_6-31g(d).qchem.inp (generated)

000755000.b3lyp_6-31g(d).gjf (generated)

000755000.b3lyp_6-31g(d).firefly.inp (generated)

000755000.b3lyp_6-31g(d).smash.inp (generated)

000755000.b3lyp_6-31g(d).nwchem.inp (generated) 000755000.b3lyp_6-31g(d).log.xz 000755000.td-b3lyp_6-31g+(d).inp 000755000.td-b3lyp_6-31g+(d).log.xz

000755000.td-b3lyp_6-31+g(d).qchem.inp (generated)

000755000.td-b3lyp_6-31+g(d).gjf (generated)

000755000.td-b3lyp_6-31+g(d).firefly.inp (generated)

000755000.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000755000.mol 000755000.PUBCHEM 000755000.mol (via Jmol)
000755001.b3lyp_6-31g(d).inp

000755001.b3lyp_6-31g(d).qchem.inp (generated)

000755001.b3lyp_6-31g(d).gjf (generated)

000755001.b3lyp_6-31g(d).firefly.inp (generated)

000755001.b3lyp_6-31g(d).smash.inp (generated)

000755001.b3lyp_6-31g(d).nwchem.inp (generated) 000755001.b3lyp_6-31g(d).log.xz 000755001.td-b3lyp_6-31g+(d).inp 000755001.td-b3lyp_6-31g+(d).log.xz

000755001.td-b3lyp_6-31+g(d).qchem.inp (generated)

000755001.td-b3lyp_6-31+g(d).gjf (generated)

000755001.td-b3lyp_6-31+g(d).firefly.inp (generated)

000755001.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000755001.mol 000755001.PUBCHEM 000755001.mol (via Jmol)
000755004.b3lyp_6-31g(d).inp

000755004.b3lyp_6-31g(d).qchem.inp (generated)

000755004.b3lyp_6-31g(d).gjf (generated)

000755004.b3lyp_6-31g(d).firefly.inp (generated)

000755004.b3lyp_6-31g(d).smash.inp (generated)

000755004.b3lyp_6-31g(d).nwchem.inp (generated) 000755004.b3lyp_6-31g(d).log.xz 000755004.td-b3lyp_6-31g+(d).inp 000755004.td-b3lyp_6-31g+(d).log.xz

000755004.td-b3lyp_6-31+g(d).qchem.inp (generated)

000755004.td-b3lyp_6-31+g(d).gjf (generated)

000755004.td-b3lyp_6-31+g(d).firefly.inp (generated)

000755004.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000755004.mol 000755004.PUBCHEM 000755004.mol (via Jmol)
000755024.b3lyp_6-31g(d).inp

000755024.b3lyp_6-31g(d).qchem.inp (generated)

000755024.b3lyp_6-31g(d).gjf (generated)

000755024.b3lyp_6-31g(d).firefly.inp (generated)

000755024.b3lyp_6-31g(d).smash.inp (generated)

000755024.b3lyp_6-31g(d).nwchem.inp (generated) 000755024.b3lyp_6-31g(d).log.xz 000755024.td-b3lyp_6-31g+(d).inp 000755024.td-b3lyp_6-31g+(d).log.xz

000755024.td-b3lyp_6-31+g(d).qchem.inp (generated)

000755024.td-b3lyp_6-31+g(d).gjf (generated)

000755024.td-b3lyp_6-31+g(d).firefly.inp (generated)

000755024.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000755024.mol 000755024.PUBCHEM 000755024.mol (via Jmol)
000755045.b3lyp_6-31g(d).inp

000755045.b3lyp_6-31g(d).qchem.inp (generated)

000755045.b3lyp_6-31g(d).gjf (generated)

000755045.b3lyp_6-31g(d).firefly.inp (generated)

000755045.b3lyp_6-31g(d).smash.inp (generated)

000755045.b3lyp_6-31g(d).nwchem.inp (generated) 000755045.b3lyp_6-31g(d).log.xz 000755045.td-b3lyp_6-31g+(d).inp 000755045.td-b3lyp_6-31g+(d).log.xz

000755045.td-b3lyp_6-31+g(d).qchem.inp (generated)

000755045.td-b3lyp_6-31+g(d).gjf (generated)

000755045.td-b3lyp_6-31+g(d).firefly.inp (generated)

000755045.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000755045.mol 000755045.PUBCHEM 000755045.mol (via Jmol)
000755046.b3lyp_6-31g(d).inp

000755046.b3lyp_6-31g(d).qchem.inp (generated)

000755046.b3lyp_6-31g(d).gjf (generated)

000755046.b3lyp_6-31g(d).firefly.inp (generated)

000755046.b3lyp_6-31g(d).smash.inp (generated)

000755046.b3lyp_6-31g(d).nwchem.inp (generated) 000755046.b3lyp_6-31g(d).log.xz 000755046.td-b3lyp_6-31g+(d).inp 000755046.td-b3lyp_6-31g+(d).log.xz

000755046.td-b3lyp_6-31+g(d).qchem.inp (generated)

000755046.td-b3lyp_6-31+g(d).gjf (generated)

000755046.td-b3lyp_6-31+g(d).firefly.inp (generated)

000755046.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000755046.mol 000755046.PUBCHEM 000755046.mol (via Jmol)
000755050.b3lyp_6-31g(d).inp

000755050.b3lyp_6-31g(d).qchem.inp (generated)

000755050.b3lyp_6-31g(d).gjf (generated)

000755050.b3lyp_6-31g(d).firefly.inp (generated)

000755050.b3lyp_6-31g(d).smash.inp (generated)

000755050.b3lyp_6-31g(d).nwchem.inp (generated) 000755050.b3lyp_6-31g(d).log.xz 000755050.td-b3lyp_6-31g+(d).inp 000755050.td-b3lyp_6-31g+(d).log.xz

000755050.td-b3lyp_6-31+g(d).qchem.inp (generated)

000755050.td-b3lyp_6-31+g(d).gjf (generated)

000755050.td-b3lyp_6-31+g(d).firefly.inp (generated)

000755050.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000755050.mol 000755050.PUBCHEM 000755050.mol (via Jmol)
000755053.b3lyp_6-31g(d).inp

000755053.b3lyp_6-31g(d).qchem.inp (generated)

000755053.b3lyp_6-31g(d).gjf (generated)

000755053.b3lyp_6-31g(d).firefly.inp (generated)

000755053.b3lyp_6-31g(d).smash.inp (generated)

000755053.b3lyp_6-31g(d).nwchem.inp (generated) 000755053.b3lyp_6-31g(d).log.xz 000755053.td-b3lyp_6-31g+(d).inp 000755053.td-b3lyp_6-31g+(d).log.xz

000755053.td-b3lyp_6-31+g(d).qchem.inp (generated)

000755053.td-b3lyp_6-31+g(d).gjf (generated)

000755053.td-b3lyp_6-31+g(d).firefly.inp (generated)

000755053.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000755053.mol 000755053.PUBCHEM 000755053.mol (via Jmol)
000755068.b3lyp_6-31g(d).inp

000755068.b3lyp_6-31g(d).qchem.inp (generated)

000755068.b3lyp_6-31g(d).gjf (generated)

000755068.b3lyp_6-31g(d).firefly.inp (generated)

000755068.b3lyp_6-31g(d).smash.inp (generated)

000755068.b3lyp_6-31g(d).nwchem.inp (generated) 000755068.b3lyp_6-31g(d).log.xz 000755068.td-b3lyp_6-31g+(d).inp 000755068.td-b3lyp_6-31g+(d).log.xz

000755068.td-b3lyp_6-31+g(d).qchem.inp (generated)

000755068.td-b3lyp_6-31+g(d).gjf (generated)

000755068.td-b3lyp_6-31+g(d).firefly.inp (generated)

000755068.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000755068.mol 000755068.PUBCHEM 000755068.mol (via Jmol)
000755074.b3lyp_6-31g(d).inp

000755074.b3lyp_6-31g(d).qchem.inp (generated)

000755074.b3lyp_6-31g(d).gjf (generated)

000755074.b3lyp_6-31g(d).firefly.inp (generated)

000755074.b3lyp_6-31g(d).smash.inp (generated)

000755074.b3lyp_6-31g(d).nwchem.inp (generated) 000755074.b3lyp_6-31g(d).log.xz 000755074.td-b3lyp_6-31g+(d).inp 000755074.td-b3lyp_6-31g+(d).log.xz

000755074.td-b3lyp_6-31+g(d).qchem.inp (generated)

000755074.td-b3lyp_6-31+g(d).gjf (generated)

000755074.td-b3lyp_6-31+g(d).firefly.inp (generated)

000755074.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000755074.mol 000755074.PUBCHEM 000755074.mol (via Jmol)
000755076.b3lyp_6-31g(d).inp

000755076.b3lyp_6-31g(d).qchem.inp (generated)

000755076.b3lyp_6-31g(d).gjf (generated)

000755076.b3lyp_6-31g(d).firefly.inp (generated)

000755076.b3lyp_6-31g(d).smash.inp (generated)

000755076.b3lyp_6-31g(d).nwchem.inp (generated) 000755076.b3lyp_6-31g(d).log.xz 000755076.mol 000755076.PUBCHEM 000755076.mol (via Jmol)
000755078.b3lyp_6-31g(d).inp

000755078.b3lyp_6-31g(d).qchem.inp (generated)

000755078.b3lyp_6-31g(d).gjf (generated)

000755078.b3lyp_6-31g(d).firefly.inp (generated)

000755078.b3lyp_6-31g(d).smash.inp (generated)

000755078.b3lyp_6-31g(d).nwchem.inp (generated) 000755078.b3lyp_6-31g(d).log.xz 000755078.mol 000755078.PUBCHEM 000755078.mol (via Jmol)
000755081.b3lyp_6-31g(d).inp

000755081.b3lyp_6-31g(d).qchem.inp (generated)

000755081.b3lyp_6-31g(d).gjf (generated)

000755081.b3lyp_6-31g(d).firefly.inp (generated)

000755081.b3lyp_6-31g(d).smash.inp (generated)

000755081.b3lyp_6-31g(d).nwchem.inp (generated) 000755081.b3lyp_6-31g(d).log.xz 000755081.td-b3lyp_6-31g+(d).inp 000755081.td-b3lyp_6-31g+(d).log.xz

000755081.td-b3lyp_6-31+g(d).qchem.inp (generated)

000755081.td-b3lyp_6-31+g(d).gjf (generated)

000755081.td-b3lyp_6-31+g(d).firefly.inp (generated)

000755081.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000755081.mol 000755081.PUBCHEM 000755081.mol (via Jmol)
000755093.b3lyp_6-31g(d).inp

000755093.b3lyp_6-31g(d).qchem.inp (generated)

000755093.b3lyp_6-31g(d).gjf (generated)

000755093.b3lyp_6-31g(d).firefly.inp (generated)

000755093.b3lyp_6-31g(d).smash.inp (generated)

000755093.b3lyp_6-31g(d).nwchem.inp (generated) 000755093.b3lyp_6-31g(d).log.xz 000755093.mol 000755093.PUBCHEM 000755093.mol (via Jmol)
000755094.b3lyp_6-31g(d).inp

000755094.b3lyp_6-31g(d).qchem.inp (generated)

000755094.b3lyp_6-31g(d).gjf (generated)

000755094.b3lyp_6-31g(d).firefly.inp (generated)

000755094.b3lyp_6-31g(d).smash.inp (generated)

000755094.b3lyp_6-31g(d).nwchem.inp (generated) 000755094.b3lyp_6-31g(d).log.xz 000755094.mol 000755094.PUBCHEM 000755094.mol (via Jmol)
000755112.b3lyp_6-31g(d).inp

000755112.b3lyp_6-31g(d).qchem.inp (generated)

000755112.b3lyp_6-31g(d).gjf (generated)

000755112.b3lyp_6-31g(d).firefly.inp (generated)

000755112.b3lyp_6-31g(d).smash.inp (generated)

000755112.b3lyp_6-31g(d).nwchem.inp (generated) 000755112.b3lyp_6-31g(d).log.xz 000755112.td-b3lyp_6-31g+(d).inp 000755112.td-b3lyp_6-31g+(d).log.xz

000755112.td-b3lyp_6-31+g(d).qchem.inp (generated)

000755112.td-b3lyp_6-31+g(d).gjf (generated)

000755112.td-b3lyp_6-31+g(d).firefly.inp (generated)

000755112.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000755112.mol 000755112.PUBCHEM 000755112.mol (via Jmol)
000755132.b3lyp_6-31g(d).inp

000755132.b3lyp_6-31g(d).qchem.inp (generated)

000755132.b3lyp_6-31g(d).gjf (generated)

000755132.b3lyp_6-31g(d).firefly.inp (generated)

000755132.b3lyp_6-31g(d).smash.inp (generated)

000755132.b3lyp_6-31g(d).nwchem.inp (generated) 000755132.b3lyp_6-31g(d).log.xz 000755132.td-b3lyp_6-31g+(d).inp 000755132.td-b3lyp_6-31g+(d).log.xz

000755132.td-b3lyp_6-31+g(d).qchem.inp (generated)

000755132.td-b3lyp_6-31+g(d).gjf (generated)

000755132.td-b3lyp_6-31+g(d).firefly.inp (generated)

000755132.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000755132.mol 000755132.PUBCHEM 000755132.mol (via Jmol)
000755134.b3lyp_6-31g(d).inp

000755134.b3lyp_6-31g(d).qchem.inp (generated)

000755134.b3lyp_6-31g(d).gjf (generated)

000755134.b3lyp_6-31g(d).firefly.inp (generated)

000755134.b3lyp_6-31g(d).smash.inp (generated)

000755134.b3lyp_6-31g(d).nwchem.inp (generated) 000755134.b3lyp_6-31g(d).log.xz 000755134.td-b3lyp_6-31g+(d).inp 000755134.td-b3lyp_6-31g+(d).log.xz

000755134.td-b3lyp_6-31+g(d).qchem.inp (generated)

000755134.td-b3lyp_6-31+g(d).gjf (generated)

000755134.td-b3lyp_6-31+g(d).firefly.inp (generated)

000755134.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000755134.mol 000755134.PUBCHEM 000755134.mol (via Jmol)
000755144.b3lyp_6-31g(d).inp

000755144.b3lyp_6-31g(d).qchem.inp (generated)

000755144.b3lyp_6-31g(d).gjf (generated)

000755144.b3lyp_6-31g(d).firefly.inp (generated)

000755144.b3lyp_6-31g(d).smash.inp (generated)

000755144.b3lyp_6-31g(d).nwchem.inp (generated) 000755144.b3lyp_6-31g(d).log.xz 000755144.td-b3lyp_6-31g+(d).inp 000755144.td-b3lyp_6-31g+(d).log.xz

000755144.td-b3lyp_6-31+g(d).qchem.inp (generated)

000755144.td-b3lyp_6-31+g(d).gjf (generated)

000755144.td-b3lyp_6-31+g(d).firefly.inp (generated)

000755144.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000755144.mol 000755144.PUBCHEM 000755144.mol (via Jmol)
000755149.b3lyp_6-31g(d).inp

000755149.b3lyp_6-31g(d).qchem.inp (generated)

000755149.b3lyp_6-31g(d).gjf (generated)

000755149.b3lyp_6-31g(d).firefly.inp (generated)

000755149.b3lyp_6-31g(d).smash.inp (generated)

000755149.b3lyp_6-31g(d).nwchem.inp (generated) 000755149.b3lyp_6-31g(d).log.xz 000755149.td-b3lyp_6-31g+(d).inp 000755149.td-b3lyp_6-31g+(d).log.xz

000755149.td-b3lyp_6-31+g(d).qchem.inp (generated)

000755149.td-b3lyp_6-31+g(d).gjf (generated)

000755149.td-b3lyp_6-31+g(d).firefly.inp (generated)

000755149.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000755149.mol 000755149.PUBCHEM 000755149.mol (via Jmol)
000755150.b3lyp_6-31g(d).inp

000755150.b3lyp_6-31g(d).qchem.inp (generated)

000755150.b3lyp_6-31g(d).gjf (generated)

000755150.b3lyp_6-31g(d).firefly.inp (generated)

000755150.b3lyp_6-31g(d).smash.inp (generated)

000755150.b3lyp_6-31g(d).nwchem.inp (generated) 000755150.b3lyp_6-31g(d).log.xz 000755150.td-b3lyp_6-31g+(d).inp 000755150.td-b3lyp_6-31g+(d).log.xz

000755150.td-b3lyp_6-31+g(d).qchem.inp (generated)

000755150.td-b3lyp_6-31+g(d).gjf (generated)

000755150.td-b3lyp_6-31+g(d).firefly.inp (generated)

000755150.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000755150.mol 000755150.PUBCHEM 000755150.mol (via Jmol)
000755195.b3lyp_6-31g(d).inp

000755195.b3lyp_6-31g(d).qchem.inp (generated)

000755195.b3lyp_6-31g(d).gjf (generated)

000755195.b3lyp_6-31g(d).firefly.inp (generated)

000755195.b3lyp_6-31g(d).smash.inp (generated)

000755195.b3lyp_6-31g(d).nwchem.inp (generated) 000755195.b3lyp_6-31g(d).log.xz 000755195.td-b3lyp_6-31g+(d).inp 000755195.td-b3lyp_6-31g+(d).log.xz

000755195.td-b3lyp_6-31+g(d).qchem.inp (generated)

000755195.td-b3lyp_6-31+g(d).gjf (generated)

000755195.td-b3lyp_6-31+g(d).firefly.inp (generated)

000755195.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000755195.mol 000755195.PUBCHEM 000755195.mol (via Jmol)
000755197.b3lyp_6-31g(d).inp

000755197.b3lyp_6-31g(d).qchem.inp (generated)

000755197.b3lyp_6-31g(d).gjf (generated)

000755197.b3lyp_6-31g(d).firefly.inp (generated)

000755197.b3lyp_6-31g(d).smash.inp (generated)

000755197.b3lyp_6-31g(d).nwchem.inp (generated) 000755197.b3lyp_6-31g(d).log.xz 000755197.td-b3lyp_6-31g+(d).inp 000755197.td-b3lyp_6-31g+(d).log.xz

000755197.td-b3lyp_6-31+g(d).qchem.inp (generated)

000755197.td-b3lyp_6-31+g(d).gjf (generated)

000755197.td-b3lyp_6-31+g(d).firefly.inp (generated)

000755197.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000755197.mol 000755197.PUBCHEM 000755197.mol (via Jmol)
000755211.b3lyp_6-31g(d).inp

000755211.b3lyp_6-31g(d).qchem.inp (generated)

000755211.b3lyp_6-31g(d).gjf (generated)

000755211.b3lyp_6-31g(d).firefly.inp (generated)

000755211.b3lyp_6-31g(d).smash.inp (generated)

000755211.b3lyp_6-31g(d).nwchem.inp (generated) 000755211.b3lyp_6-31g(d).log.xz 000755211.td-b3lyp_6-31g+(d).inp 000755211.td-b3lyp_6-31g+(d).log.xz

000755211.td-b3lyp_6-31+g(d).qchem.inp (generated)

000755211.td-b3lyp_6-31+g(d).gjf (generated)

000755211.td-b3lyp_6-31+g(d).firefly.inp (generated)

000755211.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000755211.mol 000755211.PUBCHEM 000755211.mol (via Jmol)
000755274.b3lyp_6-31g(d).inp

000755274.b3lyp_6-31g(d).qchem.inp (generated)

000755274.b3lyp_6-31g(d).gjf (generated)

000755274.b3lyp_6-31g(d).firefly.inp (generated)

000755274.b3lyp_6-31g(d).smash.inp (generated)

000755274.b3lyp_6-31g(d).nwchem.inp (generated) 000755274.b3lyp_6-31g(d).log.xz 000755274.td-b3lyp_6-31g+(d).inp 000755274.td-b3lyp_6-31g+(d).log.xz

000755274.td-b3lyp_6-31+g(d).qchem.inp (generated)

000755274.td-b3lyp_6-31+g(d).gjf (generated)

000755274.td-b3lyp_6-31+g(d).firefly.inp (generated)

000755274.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000755274.mol 000755274.PUBCHEM 000755274.mol (via Jmol)
000755276.b3lyp_6-31g(d).inp

000755276.b3lyp_6-31g(d).qchem.inp (generated)

000755276.b3lyp_6-31g(d).gjf (generated)

000755276.b3lyp_6-31g(d).firefly.inp (generated)

000755276.b3lyp_6-31g(d).smash.inp (generated)

000755276.b3lyp_6-31g(d).nwchem.inp (generated) 000755276.b3lyp_6-31g(d).log.xz 000755276.td-b3lyp_6-31g+(d).inp 000755276.td-b3lyp_6-31g+(d).log.xz

000755276.td-b3lyp_6-31+g(d).qchem.inp (generated)

000755276.td-b3lyp_6-31+g(d).gjf (generated)

000755276.td-b3lyp_6-31+g(d).firefly.inp (generated)

000755276.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000755276.mol 000755276.PUBCHEM 000755276.mol (via Jmol)
000755282.b3lyp_6-31g(d).inp

000755282.b3lyp_6-31g(d).qchem.inp (generated)

000755282.b3lyp_6-31g(d).gjf (generated)

000755282.b3lyp_6-31g(d).firefly.inp (generated)

000755282.b3lyp_6-31g(d).smash.inp (generated)

000755282.b3lyp_6-31g(d).nwchem.inp (generated) 000755282.b3lyp_6-31g(d).log.xz 000755282.td-b3lyp_6-31g+(d).inp 000755282.td-b3lyp_6-31g+(d).log.xz

000755282.td-b3lyp_6-31+g(d).qchem.inp (generated)

000755282.td-b3lyp_6-31+g(d).gjf (generated)

000755282.td-b3lyp_6-31+g(d).firefly.inp (generated)

000755282.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000755282.mol 000755282.PUBCHEM 000755282.mol (via Jmol)
000755292.b3lyp_6-31g(d).inp

000755292.b3lyp_6-31g(d).qchem.inp (generated)

000755292.b3lyp_6-31g(d).gjf (generated)

000755292.b3lyp_6-31g(d).firefly.inp (generated)

000755292.b3lyp_6-31g(d).smash.inp (generated)

000755292.b3lyp_6-31g(d).nwchem.inp (generated) 000755292.b3lyp_6-31g(d).log.xz 000755292.td-b3lyp_6-31g+(d).inp 000755292.td-b3lyp_6-31g+(d).log.xz

000755292.td-b3lyp_6-31+g(d).qchem.inp (generated)

000755292.td-b3lyp_6-31+g(d).gjf (generated)

000755292.td-b3lyp_6-31+g(d).firefly.inp (generated)

000755292.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000755292.mol 000755292.PUBCHEM 000755292.mol (via Jmol)
000755294.b3lyp_6-31g(d).inp

000755294.b3lyp_6-31g(d).qchem.inp (generated)

000755294.b3lyp_6-31g(d).gjf (generated)

000755294.b3lyp_6-31g(d).firefly.inp (generated)

000755294.b3lyp_6-31g(d).smash.inp (generated)

000755294.b3lyp_6-31g(d).nwchem.inp (generated) 000755294.b3lyp_6-31g(d).log.xz 000755294.td-b3lyp_6-31g+(d).inp 000755294.td-b3lyp_6-31g+(d).log.xz

000755294.td-b3lyp_6-31+g(d).qchem.inp (generated)

000755294.td-b3lyp_6-31+g(d).gjf (generated)

000755294.td-b3lyp_6-31+g(d).firefly.inp (generated)

000755294.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000755294.mol 000755294.PUBCHEM 000755294.mol (via Jmol)
000755295.b3lyp_6-31g(d).inp

000755295.b3lyp_6-31g(d).qchem.inp (generated)

000755295.b3lyp_6-31g(d).gjf (generated)

000755295.b3lyp_6-31g(d).firefly.inp (generated)

000755295.b3lyp_6-31g(d).smash.inp (generated)

000755295.b3lyp_6-31g(d).nwchem.inp (generated) 000755295.b3lyp_6-31g(d).log.xz 000755295.td-b3lyp_6-31g+(d).inp 000755295.td-b3lyp_6-31g+(d).log.xz

000755295.td-b3lyp_6-31+g(d).qchem.inp (generated)

000755295.td-b3lyp_6-31+g(d).gjf (generated)

000755295.td-b3lyp_6-31+g(d).firefly.inp (generated)

000755295.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000755295.mol 000755295.PUBCHEM 000755295.mol (via Jmol)
000755305.b3lyp_6-31g(d).inp

000755305.b3lyp_6-31g(d).qchem.inp (generated)

000755305.b3lyp_6-31g(d).gjf (generated)

000755305.b3lyp_6-31g(d).firefly.inp (generated)

000755305.b3lyp_6-31g(d).smash.inp (generated)

000755305.b3lyp_6-31g(d).nwchem.inp (generated) 000755305.b3lyp_6-31g(d).log.xz 000755305.mol 000755305.PUBCHEM 000755305.mol (via Jmol)
000755331.b3lyp_6-31g(d).inp

000755331.b3lyp_6-31g(d).qchem.inp (generated)

000755331.b3lyp_6-31g(d).gjf (generated)

000755331.b3lyp_6-31g(d).firefly.inp (generated)

000755331.b3lyp_6-31g(d).smash.inp (generated)

000755331.b3lyp_6-31g(d).nwchem.inp (generated) 000755331.b3lyp_6-31g(d).log.xz 000755331.mol 000755331.PUBCHEM 000755331.mol (via Jmol)
000755333.b3lyp_6-31g(d).inp

000755333.b3lyp_6-31g(d).qchem.inp (generated)

000755333.b3lyp_6-31g(d).gjf (generated)

000755333.b3lyp_6-31g(d).firefly.inp (generated)

000755333.b3lyp_6-31g(d).smash.inp (generated)

000755333.b3lyp_6-31g(d).nwchem.inp (generated) 000755333.b3lyp_6-31g(d).log.xz 000755333.mol 000755333.PUBCHEM 000755333.mol (via Jmol)
000755346.b3lyp_6-31g(d).inp

000755346.b3lyp_6-31g(d).qchem.inp (generated)

000755346.b3lyp_6-31g(d).gjf (generated)

000755346.b3lyp_6-31g(d).firefly.inp (generated)

000755346.b3lyp_6-31g(d).smash.inp (generated)

000755346.b3lyp_6-31g(d).nwchem.inp (generated) 000755346.b3lyp_6-31g(d).log.xz 000755346.mol 000755346.PUBCHEM 000755346.mol (via Jmol)
000755347.b3lyp_6-31g(d).inp

000755347.b3lyp_6-31g(d).qchem.inp (generated)

000755347.b3lyp_6-31g(d).gjf (generated)

000755347.b3lyp_6-31g(d).firefly.inp (generated)

000755347.b3lyp_6-31g(d).smash.inp (generated)

000755347.b3lyp_6-31g(d).nwchem.inp (generated) 000755347.b3lyp_6-31g(d).log.xz 000755347.mol 000755347.PUBCHEM 000755347.mol (via Jmol)
000755382.b3lyp_6-31g(d).inp

000755382.b3lyp_6-31g(d).qchem.inp (generated)

000755382.b3lyp_6-31g(d).gjf (generated)

000755382.b3lyp_6-31g(d).firefly.inp (generated)

000755382.b3lyp_6-31g(d).smash.inp (generated)

000755382.b3lyp_6-31g(d).nwchem.inp (generated) 000755382.b3lyp_6-31g(d).log.xz 000755382.mol 000755382.PUBCHEM 000755382.mol (via Jmol)
000755390.b3lyp_6-31g(d).inp

000755390.b3lyp_6-31g(d).qchem.inp (generated)

000755390.b3lyp_6-31g(d).gjf (generated)

000755390.b3lyp_6-31g(d).firefly.inp (generated)

000755390.b3lyp_6-31g(d).smash.inp (generated)

000755390.b3lyp_6-31g(d).nwchem.inp (generated) 000755390.b3lyp_6-31g(d).log.xz 000755390.td-b3lyp_6-31g+(d).inp 000755390.td-b3lyp_6-31g+(d).log.xz

000755390.td-b3lyp_6-31+g(d).qchem.inp (generated)

000755390.td-b3lyp_6-31+g(d).gjf (generated)

000755390.td-b3lyp_6-31+g(d).firefly.inp (generated)

000755390.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000755390.mol 000755390.PUBCHEM 000755390.mol (via Jmol)
000755436.b3lyp_6-31g(d).inp

000755436.b3lyp_6-31g(d).qchem.inp (generated)

000755436.b3lyp_6-31g(d).gjf (generated)

000755436.b3lyp_6-31g(d).firefly.inp (generated)

000755436.b3lyp_6-31g(d).smash.inp (generated)

000755436.b3lyp_6-31g(d).nwchem.inp (generated) 000755436.b3lyp_6-31g(d).log.xz 000755436.td-b3lyp_6-31g+(d).inp 000755436.td-b3lyp_6-31g+(d).log.xz

000755436.td-b3lyp_6-31+g(d).qchem.inp (generated)

000755436.td-b3lyp_6-31+g(d).gjf (generated)

000755436.td-b3lyp_6-31+g(d).firefly.inp (generated)

000755436.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000755436.mol 000755436.PUBCHEM 000755436.mol (via Jmol)
000755441.b3lyp_6-31g(d).inp

000755441.b3lyp_6-31g(d).qchem.inp (generated)

000755441.b3lyp_6-31g(d).gjf (generated)

000755441.b3lyp_6-31g(d).firefly.inp (generated)

000755441.b3lyp_6-31g(d).smash.inp (generated)

000755441.b3lyp_6-31g(d).nwchem.inp (generated) 000755441.b3lyp_6-31g(d).log.xz 000755441.td-b3lyp_6-31g+(d).inp 000755441.td-b3lyp_6-31g+(d).log.xz

000755441.td-b3lyp_6-31+g(d).qchem.inp (generated)

000755441.td-b3lyp_6-31+g(d).gjf (generated)

000755441.td-b3lyp_6-31+g(d).firefly.inp (generated)

000755441.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000755441.mol 000755441.PUBCHEM 000755441.mol (via Jmol)
000755443.b3lyp_6-31g(d).inp

000755443.b3lyp_6-31g(d).qchem.inp (generated)

000755443.b3lyp_6-31g(d).gjf (generated)

000755443.b3lyp_6-31g(d).firefly.inp (generated)

000755443.b3lyp_6-31g(d).smash.inp (generated)

000755443.b3lyp_6-31g(d).nwchem.inp (generated) 000755443.b3lyp_6-31g(d).log.xz 000755443.td-b3lyp_6-31g+(d).inp 000755443.td-b3lyp_6-31g+(d).log.xz

000755443.td-b3lyp_6-31+g(d).qchem.inp (generated)

000755443.td-b3lyp_6-31+g(d).gjf (generated)

000755443.td-b3lyp_6-31+g(d).firefly.inp (generated)

000755443.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000755443.mol 000755443.PUBCHEM 000755443.mol (via Jmol)
000755444.b3lyp_6-31g(d).inp

000755444.b3lyp_6-31g(d).qchem.inp (generated)

000755444.b3lyp_6-31g(d).gjf (generated)

000755444.b3lyp_6-31g(d).firefly.inp (generated)

000755444.b3lyp_6-31g(d).smash.inp (generated)

000755444.b3lyp_6-31g(d).nwchem.inp (generated) 000755444.b3lyp_6-31g(d).log.xz 000755444.mol 000755444.PUBCHEM 000755444.mol (via Jmol)
000755456.b3lyp_6-31g(d).inp

000755456.b3lyp_6-31g(d).qchem.inp (generated)

000755456.b3lyp_6-31g(d).gjf (generated)

000755456.b3lyp_6-31g(d).firefly.inp (generated)

000755456.b3lyp_6-31g(d).smash.inp (generated)

000755456.b3lyp_6-31g(d).nwchem.inp (generated) 000755456.b3lyp_6-31g(d).log.xz 000755456.td-b3lyp_6-31g+(d).inp 000755456.td-b3lyp_6-31g+(d).log.xz

000755456.td-b3lyp_6-31+g(d).qchem.inp (generated)

000755456.td-b3lyp_6-31+g(d).gjf (generated)

000755456.td-b3lyp_6-31+g(d).firefly.inp (generated)

000755456.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000755456.mol 000755456.PUBCHEM 000755456.mol (via Jmol)
000755463.b3lyp_6-31g(d).inp

000755463.b3lyp_6-31g(d).qchem.inp (generated)

000755463.b3lyp_6-31g(d).gjf (generated)

000755463.b3lyp_6-31g(d).firefly.inp (generated)

000755463.b3lyp_6-31g(d).smash.inp (generated)

000755463.b3lyp_6-31g(d).nwchem.inp (generated) 000755463.b3lyp_6-31g(d).log.xz 000755463.td-b3lyp_6-31g+(d).inp 000755463.td-b3lyp_6-31g+(d).log.xz

000755463.td-b3lyp_6-31+g(d).qchem.inp (generated)

000755463.td-b3lyp_6-31+g(d).gjf (generated)

000755463.td-b3lyp_6-31+g(d).firefly.inp (generated)

000755463.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000755463.mol 000755463.PUBCHEM 000755463.mol (via Jmol)
000755472.b3lyp_6-31g(d).inp

000755472.b3lyp_6-31g(d).qchem.inp (generated)

000755472.b3lyp_6-31g(d).gjf (generated)

000755472.b3lyp_6-31g(d).firefly.inp (generated)

000755472.b3lyp_6-31g(d).smash.inp (generated)

000755472.b3lyp_6-31g(d).nwchem.inp (generated) 000755472.b3lyp_6-31g(d).log.xz 000755472.mol 000755472.PUBCHEM 000755472.mol (via Jmol)
000755509.b3lyp_6-31g(d).inp

000755509.b3lyp_6-31g(d).qchem.inp (generated)

000755509.b3lyp_6-31g(d).gjf (generated)

000755509.b3lyp_6-31g(d).firefly.inp (generated)

000755509.b3lyp_6-31g(d).smash.inp (generated)

000755509.b3lyp_6-31g(d).nwchem.inp (generated) 000755509.b3lyp_6-31g(d).log.xz 000755509.td-b3lyp_6-31g+(d).inp 000755509.td-b3lyp_6-31g+(d).log.xz

000755509.td-b3lyp_6-31+g(d).qchem.inp (generated)

000755509.td-b3lyp_6-31+g(d).gjf (generated)

000755509.td-b3lyp_6-31+g(d).firefly.inp (generated)

000755509.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000755509.mol 000755509.PUBCHEM 000755509.mol (via Jmol)
000755520.b3lyp_6-31g(d).inp

000755520.b3lyp_6-31g(d).qchem.inp (generated)

000755520.b3lyp_6-31g(d).gjf (generated)

000755520.b3lyp_6-31g(d).firefly.inp (generated)

000755520.b3lyp_6-31g(d).smash.inp (generated)

000755520.b3lyp_6-31g(d).nwchem.inp (generated) 000755520.b3lyp_6-31g(d).log.xz 000755520.td-b3lyp_6-31g+(d).inp 000755520.td-b3lyp_6-31g+(d).log.xz

000755520.td-b3lyp_6-31+g(d).qchem.inp (generated)

000755520.td-b3lyp_6-31+g(d).gjf (generated)

000755520.td-b3lyp_6-31+g(d).firefly.inp (generated)

000755520.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000755520.mol 000755520.PUBCHEM 000755520.mol (via Jmol)
000755521.b3lyp_6-31g(d).inp

000755521.b3lyp_6-31g(d).qchem.inp (generated)

000755521.b3lyp_6-31g(d).gjf (generated)

000755521.b3lyp_6-31g(d).firefly.inp (generated)

000755521.b3lyp_6-31g(d).smash.inp (generated)

000755521.b3lyp_6-31g(d).nwchem.inp (generated) 000755521.b3lyp_6-31g(d).log.xz 000755521.td-b3lyp_6-31g+(d).inp 000755521.td-b3lyp_6-31g+(d).log.xz

000755521.td-b3lyp_6-31+g(d).qchem.inp (generated)

000755521.td-b3lyp_6-31+g(d).gjf (generated)

000755521.td-b3lyp_6-31+g(d).firefly.inp (generated)

000755521.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000755521.mol 000755521.PUBCHEM 000755521.mol (via Jmol)
000755522.b3lyp_6-31g(d).inp

000755522.b3lyp_6-31g(d).qchem.inp (generated)

000755522.b3lyp_6-31g(d).gjf (generated)

000755522.b3lyp_6-31g(d).firefly.inp (generated)

000755522.b3lyp_6-31g(d).smash.inp (generated)

000755522.b3lyp_6-31g(d).nwchem.inp (generated) 000755522.b3lyp_6-31g(d).log.xz 000755522.td-b3lyp_6-31g+(d).inp 000755522.td-b3lyp_6-31g+(d).log.xz

000755522.td-b3lyp_6-31+g(d).qchem.inp (generated)

000755522.td-b3lyp_6-31+g(d).gjf (generated)

000755522.td-b3lyp_6-31+g(d).firefly.inp (generated)

000755522.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000755522.mol 000755522.PUBCHEM 000755522.mol (via Jmol)
000755523.b3lyp_6-31g(d).inp

000755523.b3lyp_6-31g(d).qchem.inp (generated)

000755523.b3lyp_6-31g(d).gjf (generated)

000755523.b3lyp_6-31g(d).firefly.inp (generated)

000755523.b3lyp_6-31g(d).smash.inp (generated)

000755523.b3lyp_6-31g(d).nwchem.inp (generated) 000755523.b3lyp_6-31g(d).log.xz 000755523.td-b3lyp_6-31g+(d).inp 000755523.td-b3lyp_6-31g+(d).log.xz

000755523.td-b3lyp_6-31+g(d).qchem.inp (generated)

000755523.td-b3lyp_6-31+g(d).gjf (generated)

000755523.td-b3lyp_6-31+g(d).firefly.inp (generated)

000755523.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000755523.mol 000755523.PUBCHEM 000755523.mol (via Jmol)
000755524.b3lyp_6-31g(d).inp

000755524.b3lyp_6-31g(d).qchem.inp (generated)

000755524.b3lyp_6-31g(d).gjf (generated)

000755524.b3lyp_6-31g(d).firefly.inp (generated)

000755524.b3lyp_6-31g(d).smash.inp (generated)

000755524.b3lyp_6-31g(d).nwchem.inp (generated) 000755524.b3lyp_6-31g(d).log.xz 000755524.td-b3lyp_6-31g+(d).inp 000755524.td-b3lyp_6-31g+(d).log.xz

000755524.td-b3lyp_6-31+g(d).qchem.inp (generated)

000755524.td-b3lyp_6-31+g(d).gjf (generated)

000755524.td-b3lyp_6-31+g(d).firefly.inp (generated)

000755524.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000755524.mol 000755524.PUBCHEM 000755524.mol (via Jmol)
000755525.b3lyp_6-31g(d).inp

000755525.b3lyp_6-31g(d).qchem.inp (generated)

000755525.b3lyp_6-31g(d).gjf (generated)

000755525.b3lyp_6-31g(d).firefly.inp (generated)

000755525.b3lyp_6-31g(d).smash.inp (generated)

000755525.b3lyp_6-31g(d).nwchem.inp (generated) 000755525.b3lyp_6-31g(d).log.xz 000755525.td-b3lyp_6-31g+(d).inp 000755525.td-b3lyp_6-31g+(d).log.xz

000755525.td-b3lyp_6-31+g(d).qchem.inp (generated)

000755525.td-b3lyp_6-31+g(d).gjf (generated)

000755525.td-b3lyp_6-31+g(d).firefly.inp (generated)

000755525.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000755525.mol 000755525.PUBCHEM 000755525.mol (via Jmol)
000755527.b3lyp_6-31g(d).inp

000755527.b3lyp_6-31g(d).qchem.inp (generated)

000755527.b3lyp_6-31g(d).gjf (generated)

000755527.b3lyp_6-31g(d).firefly.inp (generated)

000755527.b3lyp_6-31g(d).smash.inp (generated)

000755527.b3lyp_6-31g(d).nwchem.inp (generated) 000755527.b3lyp_6-31g(d).log.xz 000755527.td-b3lyp_6-31g+(d).inp 000755527.td-b3lyp_6-31g+(d).log.xz

000755527.td-b3lyp_6-31+g(d).qchem.inp (generated)

000755527.td-b3lyp_6-31+g(d).gjf (generated)

000755527.td-b3lyp_6-31+g(d).firefly.inp (generated)

000755527.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000755527.mol 000755527.PUBCHEM 000755527.mol (via Jmol)
000755528.b3lyp_6-31g(d).inp

000755528.b3lyp_6-31g(d).qchem.inp (generated)

000755528.b3lyp_6-31g(d).gjf (generated)

000755528.b3lyp_6-31g(d).firefly.inp (generated)

000755528.b3lyp_6-31g(d).smash.inp (generated)

000755528.b3lyp_6-31g(d).nwchem.inp (generated) 000755528.b3lyp_6-31g(d).log.xz 000755528.td-b3lyp_6-31g+(d).inp 000755528.td-b3lyp_6-31g+(d).log.xz

000755528.td-b3lyp_6-31+g(d).qchem.inp (generated)

000755528.td-b3lyp_6-31+g(d).gjf (generated)

000755528.td-b3lyp_6-31+g(d).firefly.inp (generated)

000755528.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000755528.mol 000755528.PUBCHEM 000755528.mol (via Jmol)
000755529.b3lyp_6-31g(d).inp

000755529.b3lyp_6-31g(d).qchem.inp (generated)

000755529.b3lyp_6-31g(d).gjf (generated)

000755529.b3lyp_6-31g(d).firefly.inp (generated)

000755529.b3lyp_6-31g(d).smash.inp (generated)

000755529.b3lyp_6-31g(d).nwchem.inp (generated) 000755529.b3lyp_6-31g(d).log.xz 000755529.td-b3lyp_6-31g+(d).inp 000755529.td-b3lyp_6-31g+(d).log.xz

000755529.td-b3lyp_6-31+g(d).qchem.inp (generated)

000755529.td-b3lyp_6-31+g(d).gjf (generated)

000755529.td-b3lyp_6-31+g(d).firefly.inp (generated)

000755529.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000755529.mol 000755529.PUBCHEM 000755529.mol (via Jmol)
000755538.b3lyp_6-31g(d).inp

000755538.b3lyp_6-31g(d).qchem.inp (generated)

000755538.b3lyp_6-31g(d).gjf (generated)

000755538.b3lyp_6-31g(d).firefly.inp (generated)

000755538.b3lyp_6-31g(d).smash.inp (generated)

000755538.b3lyp_6-31g(d).nwchem.inp (generated) 000755538.b3lyp_6-31g(d).log.xz 000755538.td-b3lyp_6-31g+(d).inp 000755538.td-b3lyp_6-31g+(d).log.xz

000755538.td-b3lyp_6-31+g(d).qchem.inp (generated)

000755538.td-b3lyp_6-31+g(d).gjf (generated)

000755538.td-b3lyp_6-31+g(d).firefly.inp (generated)

000755538.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000755538.mol 000755538.PUBCHEM 000755538.mol (via Jmol)
000755540.b3lyp_6-31g(d).inp

000755540.b3lyp_6-31g(d).qchem.inp (generated)

000755540.b3lyp_6-31g(d).gjf (generated)

000755540.b3lyp_6-31g(d).firefly.inp (generated)

000755540.b3lyp_6-31g(d).smash.inp (generated)

000755540.b3lyp_6-31g(d).nwchem.inp (generated) 000755540.b3lyp_6-31g(d).log.xz 000755540.td-b3lyp_6-31g+(d).inp 000755540.td-b3lyp_6-31g+(d).log.xz

000755540.td-b3lyp_6-31+g(d).qchem.inp (generated)

000755540.td-b3lyp_6-31+g(d).gjf (generated)

000755540.td-b3lyp_6-31+g(d).firefly.inp (generated)

000755540.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000755540.mol 000755540.PUBCHEM 000755540.mol (via Jmol)
000755542.b3lyp_6-31g(d).inp

000755542.b3lyp_6-31g(d).qchem.inp (generated)

000755542.b3lyp_6-31g(d).gjf (generated)

000755542.b3lyp_6-31g(d).firefly.inp (generated)

000755542.b3lyp_6-31g(d).smash.inp (generated)

000755542.b3lyp_6-31g(d).nwchem.inp (generated) 000755542.b3lyp_6-31g(d).log.xz 000755542.td-b3lyp_6-31g+(d).inp 000755542.td-b3lyp_6-31g+(d).log.xz

000755542.td-b3lyp_6-31+g(d).qchem.inp (generated)

000755542.td-b3lyp_6-31+g(d).gjf (generated)

000755542.td-b3lyp_6-31+g(d).firefly.inp (generated)

000755542.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000755542.mol 000755542.PUBCHEM 000755542.mol (via Jmol)
000755550.b3lyp_6-31g(d).inp

000755550.b3lyp_6-31g(d).qchem.inp (generated)

000755550.b3lyp_6-31g(d).gjf (generated)

000755550.b3lyp_6-31g(d).firefly.inp (generated)

000755550.b3lyp_6-31g(d).smash.inp (generated)

000755550.b3lyp_6-31g(d).nwchem.inp (generated) 000755550.b3lyp_6-31g(d).log.xz 000755550.td-b3lyp_6-31g+(d).inp 000755550.td-b3lyp_6-31g+(d).log.xz

000755550.td-b3lyp_6-31+g(d).qchem.inp (generated)

000755550.td-b3lyp_6-31+g(d).gjf (generated)

000755550.td-b3lyp_6-31+g(d).firefly.inp (generated)

000755550.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000755550.mol 000755550.PUBCHEM 000755550.mol (via Jmol)
000755552.b3lyp_6-31g(d).inp

000755552.b3lyp_6-31g(d).qchem.inp (generated)

000755552.b3lyp_6-31g(d).gjf (generated)

000755552.b3lyp_6-31g(d).firefly.inp (generated)

000755552.b3lyp_6-31g(d).smash.inp (generated)

000755552.b3lyp_6-31g(d).nwchem.inp (generated) 000755552.b3lyp_6-31g(d).log.xz 000755552.td-b3lyp_6-31g+(d).inp 000755552.td-b3lyp_6-31g+(d).log.xz

000755552.td-b3lyp_6-31+g(d).qchem.inp (generated)

000755552.td-b3lyp_6-31+g(d).gjf (generated)

000755552.td-b3lyp_6-31+g(d).firefly.inp (generated)

000755552.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000755552.mol 000755552.PUBCHEM 000755552.mol (via Jmol)
000755554.b3lyp_6-31g(d).inp

000755554.b3lyp_6-31g(d).qchem.inp (generated)

000755554.b3lyp_6-31g(d).gjf (generated)

000755554.b3lyp_6-31g(d).firefly.inp (generated)

000755554.b3lyp_6-31g(d).smash.inp (generated)

000755554.b3lyp_6-31g(d).nwchem.inp (generated) 000755554.b3lyp_6-31g(d).log.xz 000755554.td-b3lyp_6-31g+(d).inp 000755554.td-b3lyp_6-31g+(d).log.xz

000755554.td-b3lyp_6-31+g(d).qchem.inp (generated)

000755554.td-b3lyp_6-31+g(d).gjf (generated)

000755554.td-b3lyp_6-31+g(d).firefly.inp (generated)

000755554.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000755554.mol 000755554.PUBCHEM 000755554.mol (via Jmol)
000755555.b3lyp_6-31g(d).inp

000755555.b3lyp_6-31g(d).qchem.inp (generated)

000755555.b3lyp_6-31g(d).gjf (generated)

000755555.b3lyp_6-31g(d).firefly.inp (generated)

000755555.b3lyp_6-31g(d).smash.inp (generated)

000755555.b3lyp_6-31g(d).nwchem.inp (generated) 000755555.b3lyp_6-31g(d).log.xz 000755555.td-b3lyp_6-31g+(d).inp 000755555.td-b3lyp_6-31g+(d).log.xz

000755555.td-b3lyp_6-31+g(d).qchem.inp (generated)

000755555.td-b3lyp_6-31+g(d).gjf (generated)

000755555.td-b3lyp_6-31+g(d).firefly.inp (generated)

000755555.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000755555.mol 000755555.PUBCHEM 000755555.mol (via Jmol)
000755563.b3lyp_6-31g(d).inp

000755563.b3lyp_6-31g(d).qchem.inp (generated)

000755563.b3lyp_6-31g(d).gjf (generated)

000755563.b3lyp_6-31g(d).firefly.inp (generated)

000755563.b3lyp_6-31g(d).smash.inp (generated)

000755563.b3lyp_6-31g(d).nwchem.inp (generated) 000755563.b3lyp_6-31g(d).log.xz 000755563.td-b3lyp_6-31g+(d).inp 000755563.td-b3lyp_6-31g+(d).log.xz

000755563.td-b3lyp_6-31+g(d).qchem.inp (generated)

000755563.td-b3lyp_6-31+g(d).gjf (generated)

000755563.td-b3lyp_6-31+g(d).firefly.inp (generated)

000755563.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000755563.mol 000755563.PUBCHEM 000755563.mol (via Jmol)
000755564.b3lyp_6-31g(d).inp

000755564.b3lyp_6-31g(d).qchem.inp (generated)

000755564.b3lyp_6-31g(d).gjf (generated)

000755564.b3lyp_6-31g(d).firefly.inp (generated)

000755564.b3lyp_6-31g(d).smash.inp (generated)

000755564.b3lyp_6-31g(d).nwchem.inp (generated) 000755564.b3lyp_6-31g(d).log.xz 000755564.td-b3lyp_6-31g+(d).inp 000755564.td-b3lyp_6-31g+(d).log.xz

000755564.td-b3lyp_6-31+g(d).qchem.inp (generated)

000755564.td-b3lyp_6-31+g(d).gjf (generated)

000755564.td-b3lyp_6-31+g(d).firefly.inp (generated)

000755564.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000755564.mol 000755564.PUBCHEM 000755564.mol (via Jmol)
000755565.b3lyp_6-31g(d).inp

000755565.b3lyp_6-31g(d).qchem.inp (generated)

000755565.b3lyp_6-31g(d).gjf (generated)

000755565.b3lyp_6-31g(d).firefly.inp (generated)

000755565.b3lyp_6-31g(d).smash.inp (generated)

000755565.b3lyp_6-31g(d).nwchem.inp (generated) 000755565.b3lyp_6-31g(d).log.xz 000755565.td-b3lyp_6-31g+(d).inp 000755565.td-b3lyp_6-31g+(d).log.xz

000755565.td-b3lyp_6-31+g(d).qchem.inp (generated)

000755565.td-b3lyp_6-31+g(d).gjf (generated)

000755565.td-b3lyp_6-31+g(d).firefly.inp (generated)

000755565.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000755565.mol 000755565.PUBCHEM 000755565.mol (via Jmol)
000755566.b3lyp_6-31g(d).inp

000755566.b3lyp_6-31g(d).qchem.inp (generated)

000755566.b3lyp_6-31g(d).gjf (generated)

000755566.b3lyp_6-31g(d).firefly.inp (generated)

000755566.b3lyp_6-31g(d).smash.inp (generated)

000755566.b3lyp_6-31g(d).nwchem.inp (generated) 000755566.b3lyp_6-31g(d).log.xz 000755566.mol 000755566.PUBCHEM 000755566.mol (via Jmol)
000755567.b3lyp_6-31g(d).inp

000755567.b3lyp_6-31g(d).qchem.inp (generated)

000755567.b3lyp_6-31g(d).gjf (generated)

000755567.b3lyp_6-31g(d).firefly.inp (generated)

000755567.b3lyp_6-31g(d).smash.inp (generated)

000755567.b3lyp_6-31g(d).nwchem.inp (generated) 000755567.b3lyp_6-31g(d).log.xz 000755567.mol 000755567.PUBCHEM 000755567.mol (via Jmol)
000755570.b3lyp_6-31g(d).inp

000755570.b3lyp_6-31g(d).qchem.inp (generated)

000755570.b3lyp_6-31g(d).gjf (generated)

000755570.b3lyp_6-31g(d).firefly.inp (generated)

000755570.b3lyp_6-31g(d).smash.inp (generated)

000755570.b3lyp_6-31g(d).nwchem.inp (generated) 000755570.b3lyp_6-31g(d).log.xz 000755570.td-b3lyp_6-31g+(d).inp 000755570.td-b3lyp_6-31g+(d).log.xz

000755570.td-b3lyp_6-31+g(d).qchem.inp (generated)

000755570.td-b3lyp_6-31+g(d).gjf (generated)

000755570.td-b3lyp_6-31+g(d).firefly.inp (generated)

000755570.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000755570.mol 000755570.PUBCHEM 000755570.mol (via Jmol)
000755571.b3lyp_6-31g(d).inp

000755571.b3lyp_6-31g(d).qchem.inp (generated)

000755571.b3lyp_6-31g(d).gjf (generated)

000755571.b3lyp_6-31g(d).firefly.inp (generated)

000755571.b3lyp_6-31g(d).smash.inp (generated)

000755571.b3lyp_6-31g(d).nwchem.inp (generated) 000755571.b3lyp_6-31g(d).log.xz 000755571.td-b3lyp_6-31g+(d).inp 000755571.td-b3lyp_6-31g+(d).log.xz

000755571.td-b3lyp_6-31+g(d).qchem.inp (generated)

000755571.td-b3lyp_6-31+g(d).gjf (generated)

000755571.td-b3lyp_6-31+g(d).firefly.inp (generated)

000755571.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000755571.mol 000755571.PUBCHEM 000755571.mol (via Jmol)
000755572.b3lyp_6-31g(d).inp

000755572.b3lyp_6-31g(d).qchem.inp (generated)

000755572.b3lyp_6-31g(d).gjf (generated)

000755572.b3lyp_6-31g(d).firefly.inp (generated)

000755572.b3lyp_6-31g(d).smash.inp (generated)

000755572.b3lyp_6-31g(d).nwchem.inp (generated) 000755572.b3lyp_6-31g(d).log.xz 000755572.mol 000755572.PUBCHEM 000755572.mol (via Jmol)
000755589.b3lyp_6-31g(d).inp

000755589.b3lyp_6-31g(d).qchem.inp (generated)

000755589.b3lyp_6-31g(d).gjf (generated)

000755589.b3lyp_6-31g(d).firefly.inp (generated)

000755589.b3lyp_6-31g(d).smash.inp (generated)

000755589.b3lyp_6-31g(d).nwchem.inp (generated) 000755589.b3lyp_6-31g(d).log.xz 000755589.td-b3lyp_6-31g+(d).inp 000755589.td-b3lyp_6-31g+(d).log.xz

000755589.td-b3lyp_6-31+g(d).qchem.inp (generated)

000755589.td-b3lyp_6-31+g(d).gjf (generated)

000755589.td-b3lyp_6-31+g(d).firefly.inp (generated)

000755589.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000755589.mol 000755589.PUBCHEM 000755589.mol (via Jmol)
000755596.b3lyp_6-31g(d).inp

000755596.b3lyp_6-31g(d).qchem.inp (generated)

000755596.b3lyp_6-31g(d).gjf (generated)

000755596.b3lyp_6-31g(d).firefly.inp (generated)

000755596.b3lyp_6-31g(d).smash.inp (generated)

000755596.b3lyp_6-31g(d).nwchem.inp (generated) 000755596.b3lyp_6-31g(d).log.xz 000755596.td-b3lyp_6-31g+(d).inp 000755596.td-b3lyp_6-31g+(d).log.xz

000755596.td-b3lyp_6-31+g(d).qchem.inp (generated)

000755596.td-b3lyp_6-31+g(d).gjf (generated)

000755596.td-b3lyp_6-31+g(d).firefly.inp (generated)

000755596.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000755596.mol 000755596.PUBCHEM 000755596.mol (via Jmol)
000755621.b3lyp_6-31g(d).inp

000755621.b3lyp_6-31g(d).qchem.inp (generated)

000755621.b3lyp_6-31g(d).gjf (generated)

000755621.b3lyp_6-31g(d).firefly.inp (generated)

000755621.b3lyp_6-31g(d).smash.inp (generated)

000755621.b3lyp_6-31g(d).nwchem.inp (generated) 000755621.b3lyp_6-31g(d).log.xz 000755621.td-b3lyp_6-31g+(d).inp 000755621.td-b3lyp_6-31g+(d).log.xz

000755621.td-b3lyp_6-31+g(d).qchem.inp (generated)

000755621.td-b3lyp_6-31+g(d).gjf (generated)

000755621.td-b3lyp_6-31+g(d).firefly.inp (generated)

000755621.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000755621.mol 000755621.PUBCHEM 000755621.mol (via Jmol)
000755638.b3lyp_6-31g(d).inp

000755638.b3lyp_6-31g(d).qchem.inp (generated)

000755638.b3lyp_6-31g(d).gjf (generated)

000755638.b3lyp_6-31g(d).firefly.inp (generated)

000755638.b3lyp_6-31g(d).smash.inp (generated)

000755638.b3lyp_6-31g(d).nwchem.inp (generated) 000755638.b3lyp_6-31g(d).log.xz 000755638.td-b3lyp_6-31g+(d).inp 000755638.td-b3lyp_6-31g+(d).log.xz

000755638.td-b3lyp_6-31+g(d).qchem.inp (generated)

000755638.td-b3lyp_6-31+g(d).gjf (generated)

000755638.td-b3lyp_6-31+g(d).firefly.inp (generated)

000755638.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000755638.mol 000755638.PUBCHEM 000755638.mol (via Jmol)
000755642.b3lyp_6-31g(d).inp

000755642.b3lyp_6-31g(d).qchem.inp (generated)

000755642.b3lyp_6-31g(d).gjf (generated)

000755642.b3lyp_6-31g(d).firefly.inp (generated)

000755642.b3lyp_6-31g(d).smash.inp (generated)

000755642.b3lyp_6-31g(d).nwchem.inp (generated) 000755642.b3lyp_6-31g(d).log.xz 000755642.td-b3lyp_6-31g+(d).inp 000755642.td-b3lyp_6-31g+(d).log.xz

000755642.td-b3lyp_6-31+g(d).qchem.inp (generated)

000755642.td-b3lyp_6-31+g(d).gjf (generated)

000755642.td-b3lyp_6-31+g(d).firefly.inp (generated)

000755642.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000755642.mol 000755642.PUBCHEM 000755642.mol (via Jmol)
000755662.b3lyp_6-31g(d).inp

000755662.b3lyp_6-31g(d).qchem.inp (generated)

000755662.b3lyp_6-31g(d).gjf (generated)

000755662.b3lyp_6-31g(d).firefly.inp (generated)

000755662.b3lyp_6-31g(d).smash.inp (generated)

000755662.b3lyp_6-31g(d).nwchem.inp (generated) 000755662.b3lyp_6-31g(d).log.xz 000755662.td-b3lyp_6-31g+(d).inp 000755662.td-b3lyp_6-31g+(d).log.xz

000755662.td-b3lyp_6-31+g(d).qchem.inp (generated)

000755662.td-b3lyp_6-31+g(d).gjf (generated)

000755662.td-b3lyp_6-31+g(d).firefly.inp (generated)

000755662.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000755662.mol 000755662.PUBCHEM 000755662.mol (via Jmol)
000755678.b3lyp_6-31g(d).inp

000755678.b3lyp_6-31g(d).qchem.inp (generated)

000755678.b3lyp_6-31g(d).gjf (generated)

000755678.b3lyp_6-31g(d).firefly.inp (generated)

000755678.b3lyp_6-31g(d).smash.inp (generated)

000755678.b3lyp_6-31g(d).nwchem.inp (generated) 000755678.b3lyp_6-31g(d).log.xz 000755678.mol 000755678.PUBCHEM 000755678.mol (via Jmol)
000755679.b3lyp_6-31g(d).inp

000755679.b3lyp_6-31g(d).qchem.inp (generated)

000755679.b3lyp_6-31g(d).gjf (generated)

000755679.b3lyp_6-31g(d).firefly.inp (generated)

000755679.b3lyp_6-31g(d).smash.inp (generated)

000755679.b3lyp_6-31g(d).nwchem.inp (generated) 000755679.b3lyp_6-31g(d).log.xz 000755679.mol 000755679.PUBCHEM 000755679.mol (via Jmol)
000755681.b3lyp_6-31g(d).inp

000755681.b3lyp_6-31g(d).qchem.inp (generated)

000755681.b3lyp_6-31g(d).gjf (generated)

000755681.b3lyp_6-31g(d).firefly.inp (generated)

000755681.b3lyp_6-31g(d).smash.inp (generated)

000755681.b3lyp_6-31g(d).nwchem.inp (generated) 000755681.b3lyp_6-31g(d).log.xz 000755681.mol 000755681.PUBCHEM 000755681.mol (via Jmol)
000755682.b3lyp_6-31g(d).inp

000755682.b3lyp_6-31g(d).qchem.inp (generated)

000755682.b3lyp_6-31g(d).gjf (generated)

000755682.b3lyp_6-31g(d).firefly.inp (generated)

000755682.b3lyp_6-31g(d).smash.inp (generated)

000755682.b3lyp_6-31g(d).nwchem.inp (generated) 000755682.b3lyp_6-31g(d).log.xz 000755682.td-b3lyp_6-31g+(d).inp 000755682.td-b3lyp_6-31g+(d).log.xz

000755682.td-b3lyp_6-31+g(d).qchem.inp (generated)

000755682.td-b3lyp_6-31+g(d).gjf (generated)

000755682.td-b3lyp_6-31+g(d).firefly.inp (generated)

000755682.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000755682.mol 000755682.PUBCHEM 000755682.mol (via Jmol)
000755683.b3lyp_6-31g(d).inp

000755683.b3lyp_6-31g(d).qchem.inp (generated)

000755683.b3lyp_6-31g(d).gjf (generated)

000755683.b3lyp_6-31g(d).firefly.inp (generated)

000755683.b3lyp_6-31g(d).smash.inp (generated)

000755683.b3lyp_6-31g(d).nwchem.inp (generated) 000755683.b3lyp_6-31g(d).log.xz 000755683.td-b3lyp_6-31g+(d).inp 000755683.td-b3lyp_6-31g+(d).log.xz

000755683.td-b3lyp_6-31+g(d).qchem.inp (generated)

000755683.td-b3lyp_6-31+g(d).gjf (generated)

000755683.td-b3lyp_6-31+g(d).firefly.inp (generated)

000755683.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000755683.mol 000755683.PUBCHEM 000755683.mol (via Jmol)
000755684.b3lyp_6-31g(d).inp

000755684.b3lyp_6-31g(d).qchem.inp (generated)

000755684.b3lyp_6-31g(d).gjf (generated)

000755684.b3lyp_6-31g(d).firefly.inp (generated)

000755684.b3lyp_6-31g(d).smash.inp (generated)

000755684.b3lyp_6-31g(d).nwchem.inp (generated) 000755684.b3lyp_6-31g(d).log.xz 000755684.td-b3lyp_6-31g+(d).inp 000755684.td-b3lyp_6-31g+(d).log.xz

000755684.td-b3lyp_6-31+g(d).qchem.inp (generated)

000755684.td-b3lyp_6-31+g(d).gjf (generated)

000755684.td-b3lyp_6-31+g(d).firefly.inp (generated)

000755684.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000755684.mol 000755684.PUBCHEM 000755684.mol (via Jmol)
000755685.b3lyp_6-31g(d).inp

000755685.b3lyp_6-31g(d).qchem.inp (generated)

000755685.b3lyp_6-31g(d).gjf (generated)

000755685.b3lyp_6-31g(d).firefly.inp (generated)

000755685.b3lyp_6-31g(d).smash.inp (generated)

000755685.b3lyp_6-31g(d).nwchem.inp (generated) 000755685.b3lyp_6-31g(d).log.xz 000755685.mol 000755685.PUBCHEM 000755685.mol (via Jmol)
000755718.b3lyp_6-31g(d).inp

000755718.b3lyp_6-31g(d).qchem.inp (generated)

000755718.b3lyp_6-31g(d).gjf (generated)

000755718.b3lyp_6-31g(d).firefly.inp (generated)

000755718.b3lyp_6-31g(d).smash.inp (generated)

000755718.b3lyp_6-31g(d).nwchem.inp (generated) 000755718.b3lyp_6-31g(d).log.xz 000755718.td-b3lyp_6-31g+(d).inp 000755718.td-b3lyp_6-31g+(d).log.xz

000755718.td-b3lyp_6-31+g(d).qchem.inp (generated)

000755718.td-b3lyp_6-31+g(d).gjf (generated)

000755718.td-b3lyp_6-31+g(d).firefly.inp (generated)

000755718.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000755718.mol 000755718.PUBCHEM 000755718.mol (via Jmol)
000755720.b3lyp_6-31g(d).inp

000755720.b3lyp_6-31g(d).qchem.inp (generated)

000755720.b3lyp_6-31g(d).gjf (generated)

000755720.b3lyp_6-31g(d).firefly.inp (generated)

000755720.b3lyp_6-31g(d).smash.inp (generated)

000755720.b3lyp_6-31g(d).nwchem.inp (generated) 000755720.b3lyp_6-31g(d).log.xz 000755720.td-b3lyp_6-31g+(d).inp 000755720.td-b3lyp_6-31g+(d).log.xz

000755720.td-b3lyp_6-31+g(d).qchem.inp (generated)

000755720.td-b3lyp_6-31+g(d).gjf (generated)

000755720.td-b3lyp_6-31+g(d).firefly.inp (generated)

000755720.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000755720.mol 000755720.PUBCHEM 000755720.mol (via Jmol)
000755774.b3lyp_6-31g(d).inp

000755774.b3lyp_6-31g(d).qchem.inp (generated)

000755774.b3lyp_6-31g(d).gjf (generated)

000755774.b3lyp_6-31g(d).firefly.inp (generated)

000755774.b3lyp_6-31g(d).smash.inp (generated)

000755774.b3lyp_6-31g(d).nwchem.inp (generated) 000755774.b3lyp_6-31g(d).log.xz 000755774.td-b3lyp_6-31g+(d).inp 000755774.td-b3lyp_6-31g+(d).log.xz

000755774.td-b3lyp_6-31+g(d).qchem.inp (generated)

000755774.td-b3lyp_6-31+g(d).gjf (generated)

000755774.td-b3lyp_6-31+g(d).firefly.inp (generated)

000755774.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000755774.mol 000755774.PUBCHEM 000755774.mol (via Jmol)
000755787.b3lyp_6-31g(d).inp

000755787.b3lyp_6-31g(d).qchem.inp (generated)

000755787.b3lyp_6-31g(d).gjf (generated)

000755787.b3lyp_6-31g(d).firefly.inp (generated)

000755787.b3lyp_6-31g(d).smash.inp (generated)

000755787.b3lyp_6-31g(d).nwchem.inp (generated) 000755787.b3lyp_6-31g(d).log.xz 000755787.td-b3lyp_6-31g+(d).inp 000755787.td-b3lyp_6-31g+(d).log.xz

000755787.td-b3lyp_6-31+g(d).qchem.inp (generated)

000755787.td-b3lyp_6-31+g(d).gjf (generated)

000755787.td-b3lyp_6-31+g(d).firefly.inp (generated)

000755787.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000755787.mol 000755787.PUBCHEM 000755787.mol (via Jmol)
000755812.b3lyp_6-31g(d).inp

000755812.b3lyp_6-31g(d).qchem.inp (generated)

000755812.b3lyp_6-31g(d).gjf (generated)

000755812.b3lyp_6-31g(d).firefly.inp (generated)

000755812.b3lyp_6-31g(d).smash.inp (generated)

000755812.b3lyp_6-31g(d).nwchem.inp (generated) 000755812.b3lyp_6-31g(d).log.xz 000755812.td-b3lyp_6-31g+(d).inp 000755812.td-b3lyp_6-31g+(d).log.xz

000755812.td-b3lyp_6-31+g(d).qchem.inp (generated)

000755812.td-b3lyp_6-31+g(d).gjf (generated)

000755812.td-b3lyp_6-31+g(d).firefly.inp (generated)

000755812.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000755812.mol 000755812.PUBCHEM 000755812.mol (via Jmol)
000755871.b3lyp_6-31g(d).inp

000755871.b3lyp_6-31g(d).qchem.inp (generated)

000755871.b3lyp_6-31g(d).gjf (generated)

000755871.b3lyp_6-31g(d).firefly.inp (generated)

000755871.b3lyp_6-31g(d).smash.inp (generated)

000755871.b3lyp_6-31g(d).nwchem.inp (generated) 000755871.b3lyp_6-31g(d).log.xz 000755871.mol 000755871.PUBCHEM 000755871.mol (via Jmol)
000755885.b3lyp_6-31g(d).inp

000755885.b3lyp_6-31g(d).qchem.inp (generated)

000755885.b3lyp_6-31g(d).gjf (generated)

000755885.b3lyp_6-31g(d).firefly.inp (generated)

000755885.b3lyp_6-31g(d).smash.inp (generated)

000755885.b3lyp_6-31g(d).nwchem.inp (generated) 000755885.b3lyp_6-31g(d).log.xz 000755885.td-b3lyp_6-31g+(d).inp 000755885.td-b3lyp_6-31g+(d).log.xz

000755885.td-b3lyp_6-31+g(d).qchem.inp (generated)

000755885.td-b3lyp_6-31+g(d).gjf (generated)

000755885.td-b3lyp_6-31+g(d).firefly.inp (generated)

000755885.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000755885.mol 000755885.PUBCHEM 000755885.mol (via Jmol)
000755892.b3lyp_6-31g(d).inp

000755892.b3lyp_6-31g(d).qchem.inp (generated)

000755892.b3lyp_6-31g(d).gjf (generated)

000755892.b3lyp_6-31g(d).firefly.inp (generated)

000755892.b3lyp_6-31g(d).smash.inp (generated)

000755892.b3lyp_6-31g(d).nwchem.inp (generated) 000755892.b3lyp_6-31g(d).log.xz 000755892.td-b3lyp_6-31g+(d).inp 000755892.td-b3lyp_6-31g+(d).log.xz

000755892.td-b3lyp_6-31+g(d).qchem.inp (generated)

000755892.td-b3lyp_6-31+g(d).gjf (generated)

000755892.td-b3lyp_6-31+g(d).firefly.inp (generated)

000755892.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000755892.mol 000755892.PUBCHEM 000755892.mol (via Jmol)
000755919.b3lyp_6-31g(d).inp

000755919.b3lyp_6-31g(d).qchem.inp (generated)

000755919.b3lyp_6-31g(d).gjf (generated)

000755919.b3lyp_6-31g(d).firefly.inp (generated)

000755919.b3lyp_6-31g(d).smash.inp (generated)

000755919.b3lyp_6-31g(d).nwchem.inp (generated) 000755919.b3lyp_6-31g(d).log.xz 000755919.td-b3lyp_6-31g+(d).inp 000755919.td-b3lyp_6-31g+(d).log.xz

000755919.td-b3lyp_6-31+g(d).qchem.inp (generated)

000755919.td-b3lyp_6-31+g(d).gjf (generated)

000755919.td-b3lyp_6-31+g(d).firefly.inp (generated)

000755919.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000755919.mol 000755919.PUBCHEM 000755919.mol (via Jmol)
000755922.b3lyp_6-31g(d).inp

000755922.b3lyp_6-31g(d).qchem.inp (generated)

000755922.b3lyp_6-31g(d).gjf (generated)

000755922.b3lyp_6-31g(d).firefly.inp (generated)

000755922.b3lyp_6-31g(d).smash.inp (generated)

000755922.b3lyp_6-31g(d).nwchem.inp (generated) 000755922.b3lyp_6-31g(d).log.xz 000755922.td-b3lyp_6-31g+(d).inp 000755922.td-b3lyp_6-31g+(d).log.xz

000755922.td-b3lyp_6-31+g(d).qchem.inp (generated)

000755922.td-b3lyp_6-31+g(d).gjf (generated)

000755922.td-b3lyp_6-31+g(d).firefly.inp (generated)

000755922.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000755922.mol 000755922.PUBCHEM 000755922.mol (via Jmol)
000755935.b3lyp_6-31g(d).inp

000755935.b3lyp_6-31g(d).qchem.inp (generated)

000755935.b3lyp_6-31g(d).gjf (generated)

000755935.b3lyp_6-31g(d).firefly.inp (generated)

000755935.b3lyp_6-31g(d).smash.inp (generated)

000755935.b3lyp_6-31g(d).nwchem.inp (generated) 000755935.b3lyp_6-31g(d).log.xz 000755935.td-b3lyp_6-31g+(d).inp 000755935.td-b3lyp_6-31g+(d).log.xz

000755935.td-b3lyp_6-31+g(d).qchem.inp (generated)

000755935.td-b3lyp_6-31+g(d).gjf (generated)

000755935.td-b3lyp_6-31+g(d).firefly.inp (generated)

000755935.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000755935.mol 000755935.PUBCHEM 000755935.mol (via Jmol)
000755946.b3lyp_6-31g(d).inp

000755946.b3lyp_6-31g(d).qchem.inp (generated)

000755946.b3lyp_6-31g(d).gjf (generated)

000755946.b3lyp_6-31g(d).firefly.inp (generated)

000755946.b3lyp_6-31g(d).smash.inp (generated)

000755946.b3lyp_6-31g(d).nwchem.inp (generated) 000755946.b3lyp_6-31g(d).log.xz 000755946.td-b3lyp_6-31g+(d).inp 000755946.td-b3lyp_6-31g+(d).log.xz

000755946.td-b3lyp_6-31+g(d).qchem.inp (generated)

000755946.td-b3lyp_6-31+g(d).gjf (generated)

000755946.td-b3lyp_6-31+g(d).firefly.inp (generated)

000755946.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000755946.mol 000755946.PUBCHEM 000755946.mol (via Jmol)
000755947.b3lyp_6-31g(d).inp

000755947.b3lyp_6-31g(d).qchem.inp (generated)

000755947.b3lyp_6-31g(d).gjf (generated)

000755947.b3lyp_6-31g(d).firefly.inp (generated)

000755947.b3lyp_6-31g(d).smash.inp (generated)

000755947.b3lyp_6-31g(d).nwchem.inp (generated) 000755947.b3lyp_6-31g(d).log.xz 000755947.td-b3lyp_6-31g+(d).inp 000755947.td-b3lyp_6-31g+(d).log.xz

000755947.td-b3lyp_6-31+g(d).qchem.inp (generated)

000755947.td-b3lyp_6-31+g(d).gjf (generated)

000755947.td-b3lyp_6-31+g(d).firefly.inp (generated)

000755947.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000755947.mol 000755947.PUBCHEM 000755947.mol (via Jmol)
000755974.b3lyp_6-31g(d).inp

000755974.b3lyp_6-31g(d).qchem.inp (generated)

000755974.b3lyp_6-31g(d).gjf (generated)

000755974.b3lyp_6-31g(d).firefly.inp (generated)

000755974.b3lyp_6-31g(d).smash.inp (generated)

000755974.b3lyp_6-31g(d).nwchem.inp (generated) 000755974.b3lyp_6-31g(d).log.xz 000755974.mol 000755974.PUBCHEM 000755974.mol (via Jmol)
000755976.b3lyp_6-31g(d).inp

000755976.b3lyp_6-31g(d).qchem.inp (generated)

000755976.b3lyp_6-31g(d).gjf (generated)

000755976.b3lyp_6-31g(d).firefly.inp (generated)

000755976.b3lyp_6-31g(d).smash.inp (generated)

000755976.b3lyp_6-31g(d).nwchem.inp (generated) 000755976.b3lyp_6-31g(d).log.xz 000755976.mol 000755976.PUBCHEM 000755976.mol (via Jmol)
000755980.b3lyp_6-31g(d).inp

000755980.b3lyp_6-31g(d).qchem.inp (generated)

000755980.b3lyp_6-31g(d).gjf (generated)

000755980.b3lyp_6-31g(d).firefly.inp (generated)

000755980.b3lyp_6-31g(d).smash.inp (generated)

000755980.b3lyp_6-31g(d).nwchem.inp (generated) 000755980.b3lyp_6-31g(d).log.xz 000755980.td-b3lyp_6-31g+(d).inp 000755980.td-b3lyp_6-31g+(d).log.xz

000755980.td-b3lyp_6-31+g(d).qchem.inp (generated)

000755980.td-b3lyp_6-31+g(d).gjf (generated)

000755980.td-b3lyp_6-31+g(d).firefly.inp (generated)

000755980.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000755980.mol 000755980.PUBCHEM 000755980.mol (via Jmol)
000755985.b3lyp_6-31g(d).inp

000755985.b3lyp_6-31g(d).qchem.inp (generated)

000755985.b3lyp_6-31g(d).gjf (generated)

000755985.b3lyp_6-31g(d).firefly.inp (generated)

000755985.b3lyp_6-31g(d).smash.inp (generated)

000755985.b3lyp_6-31g(d).nwchem.inp (generated) 000755985.b3lyp_6-31g(d).log.xz 000755985.td-b3lyp_6-31g+(d).inp 000755985.td-b3lyp_6-31g+(d).log.xz

000755985.td-b3lyp_6-31+g(d).qchem.inp (generated)

000755985.td-b3lyp_6-31+g(d).gjf (generated)

000755985.td-b3lyp_6-31+g(d).firefly.inp (generated)

000755985.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000755985.mol 000755985.PUBCHEM 000755985.mol (via Jmol)
000755993.b3lyp_6-31g(d).inp

000755993.b3lyp_6-31g(d).qchem.inp (generated)

000755993.b3lyp_6-31g(d).gjf (generated)

000755993.b3lyp_6-31g(d).firefly.inp (generated)

000755993.b3lyp_6-31g(d).smash.inp (generated)

000755993.b3lyp_6-31g(d).nwchem.inp (generated) 000755993.b3lyp_6-31g(d).log.xz 000755993.td-b3lyp_6-31g+(d).inp 000755993.td-b3lyp_6-31g+(d).log.xz

000755993.td-b3lyp_6-31+g(d).qchem.inp (generated)

000755993.td-b3lyp_6-31+g(d).gjf (generated)

000755993.td-b3lyp_6-31+g(d).firefly.inp (generated)

000755993.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000755993.mol 000755993.PUBCHEM 000755993.mol (via Jmol)
000756052.b3lyp_6-31g(d).inp

000756052.b3lyp_6-31g(d).qchem.inp (generated)

000756052.b3lyp_6-31g(d).gjf (generated)

000756052.b3lyp_6-31g(d).firefly.inp (generated)

000756052.b3lyp_6-31g(d).smash.inp (generated)

000756052.b3lyp_6-31g(d).nwchem.inp (generated) 000756052.b3lyp_6-31g(d).log.xz 000756052.mol 000756052.PUBCHEM 000756052.mol (via Jmol)
000756054.b3lyp_6-31g(d).inp

000756054.b3lyp_6-31g(d).qchem.inp (generated)

000756054.b3lyp_6-31g(d).gjf (generated)

000756054.b3lyp_6-31g(d).firefly.inp (generated)

000756054.b3lyp_6-31g(d).smash.inp (generated)

000756054.b3lyp_6-31g(d).nwchem.inp (generated) 000756054.b3lyp_6-31g(d).log.xz 000756054.td-b3lyp_6-31g+(d).inp 000756054.td-b3lyp_6-31g+(d).log.xz

000756054.td-b3lyp_6-31+g(d).qchem.inp (generated)

000756054.td-b3lyp_6-31+g(d).gjf (generated)

000756054.td-b3lyp_6-31+g(d).firefly.inp (generated)

000756054.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000756054.mol 000756054.PUBCHEM 000756054.mol (via Jmol)
000756056.b3lyp_6-31g(d).inp

000756056.b3lyp_6-31g(d).qchem.inp (generated)

000756056.b3lyp_6-31g(d).gjf (generated)

000756056.b3lyp_6-31g(d).firefly.inp (generated)

000756056.b3lyp_6-31g(d).smash.inp (generated)

000756056.b3lyp_6-31g(d).nwchem.inp (generated) 000756056.b3lyp_6-31g(d).log.xz 000756056.mol 000756056.PUBCHEM 000756056.mol (via Jmol)
000756069.b3lyp_6-31g(d).inp

000756069.b3lyp_6-31g(d).qchem.inp (generated)

000756069.b3lyp_6-31g(d).gjf (generated)

000756069.b3lyp_6-31g(d).firefly.inp (generated)

000756069.b3lyp_6-31g(d).smash.inp (generated)

000756069.b3lyp_6-31g(d).nwchem.inp (generated) 000756069.b3lyp_6-31g(d).log.xz 000756069.td-b3lyp_6-31g+(d).inp 000756069.td-b3lyp_6-31g+(d).log.xz

000756069.td-b3lyp_6-31+g(d).qchem.inp (generated)

000756069.td-b3lyp_6-31+g(d).gjf (generated)

000756069.td-b3lyp_6-31+g(d).firefly.inp (generated)

000756069.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000756069.mol 000756069.PUBCHEM 000756069.mol (via Jmol)
000756071.b3lyp_6-31g(d).inp

000756071.b3lyp_6-31g(d).qchem.inp (generated)

000756071.b3lyp_6-31g(d).gjf (generated)

000756071.b3lyp_6-31g(d).firefly.inp (generated)

000756071.b3lyp_6-31g(d).smash.inp (generated)

000756071.b3lyp_6-31g(d).nwchem.inp (generated) 000756071.b3lyp_6-31g(d).log.xz 000756071.td-b3lyp_6-31g+(d).inp 000756071.td-b3lyp_6-31g+(d).log.xz

000756071.td-b3lyp_6-31+g(d).qchem.inp (generated)

000756071.td-b3lyp_6-31+g(d).gjf (generated)

000756071.td-b3lyp_6-31+g(d).firefly.inp (generated)

000756071.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000756071.mol 000756071.PUBCHEM 000756071.mol (via Jmol)
000756073.b3lyp_6-31g(d).inp

000756073.b3lyp_6-31g(d).qchem.inp (generated)

000756073.b3lyp_6-31g(d).gjf (generated)

000756073.b3lyp_6-31g(d).firefly.inp (generated)

000756073.b3lyp_6-31g(d).smash.inp (generated)

000756073.b3lyp_6-31g(d).nwchem.inp (generated) 000756073.b3lyp_6-31g(d).log.xz 000756073.td-b3lyp_6-31g+(d).inp 000756073.td-b3lyp_6-31g+(d).log.xz

000756073.td-b3lyp_6-31+g(d).qchem.inp (generated)

000756073.td-b3lyp_6-31+g(d).gjf (generated)

000756073.td-b3lyp_6-31+g(d).firefly.inp (generated)

000756073.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000756073.mol 000756073.PUBCHEM 000756073.mol (via Jmol)
000756087.b3lyp_6-31g(d).inp

000756087.b3lyp_6-31g(d).qchem.inp (generated)

000756087.b3lyp_6-31g(d).gjf (generated)

000756087.b3lyp_6-31g(d).firefly.inp (generated)

000756087.b3lyp_6-31g(d).smash.inp (generated)

000756087.b3lyp_6-31g(d).nwchem.inp (generated) 000756087.b3lyp_6-31g(d).log.xz 000756087.td-b3lyp_6-31g+(d).inp 000756087.td-b3lyp_6-31g+(d).log.xz

000756087.td-b3lyp_6-31+g(d).qchem.inp (generated)

000756087.td-b3lyp_6-31+g(d).gjf (generated)

000756087.td-b3lyp_6-31+g(d).firefly.inp (generated)

000756087.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000756087.mol 000756087.PUBCHEM 000756087.mol (via Jmol)
000756090.b3lyp_6-31g(d).inp

000756090.b3lyp_6-31g(d).qchem.inp (generated)

000756090.b3lyp_6-31g(d).gjf (generated)

000756090.b3lyp_6-31g(d).firefly.inp (generated)

000756090.b3lyp_6-31g(d).smash.inp (generated)

000756090.b3lyp_6-31g(d).nwchem.inp (generated) 000756090.b3lyp_6-31g(d).log.xz 000756090.td-b3lyp_6-31g+(d).inp 000756090.td-b3lyp_6-31g+(d).log.xz

000756090.td-b3lyp_6-31+g(d).qchem.inp (generated)

000756090.td-b3lyp_6-31+g(d).gjf (generated)

000756090.td-b3lyp_6-31+g(d).firefly.inp (generated)

000756090.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000756090.mol 000756090.PUBCHEM 000756090.mol (via Jmol)
000756091.b3lyp_6-31g(d).inp

000756091.b3lyp_6-31g(d).qchem.inp (generated)

000756091.b3lyp_6-31g(d).gjf (generated)

000756091.b3lyp_6-31g(d).firefly.inp (generated)

000756091.b3lyp_6-31g(d).smash.inp (generated)

000756091.b3lyp_6-31g(d).nwchem.inp (generated) 000756091.b3lyp_6-31g(d).log.xz 000756091.td-b3lyp_6-31g+(d).inp 000756091.td-b3lyp_6-31g+(d).log.xz

000756091.td-b3lyp_6-31+g(d).qchem.inp (generated)

000756091.td-b3lyp_6-31+g(d).gjf (generated)

000756091.td-b3lyp_6-31+g(d).firefly.inp (generated)

000756091.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000756091.mol 000756091.PUBCHEM 000756091.mol (via Jmol)
000756092.b3lyp_6-31g(d).inp

000756092.b3lyp_6-31g(d).qchem.inp (generated)

000756092.b3lyp_6-31g(d).gjf (generated)

000756092.b3lyp_6-31g(d).firefly.inp (generated)

000756092.b3lyp_6-31g(d).smash.inp (generated)

000756092.b3lyp_6-31g(d).nwchem.inp (generated) 000756092.b3lyp_6-31g(d).log.xz 000756092.td-b3lyp_6-31g+(d).inp 000756092.td-b3lyp_6-31g+(d).log.xz

000756092.td-b3lyp_6-31+g(d).qchem.inp (generated)

000756092.td-b3lyp_6-31+g(d).gjf (generated)

000756092.td-b3lyp_6-31+g(d).firefly.inp (generated)

000756092.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000756092.mol 000756092.PUBCHEM 000756092.mol (via Jmol)
000756094.b3lyp_6-31g(d).inp

000756094.b3lyp_6-31g(d).qchem.inp (generated)

000756094.b3lyp_6-31g(d).gjf (generated)

000756094.b3lyp_6-31g(d).firefly.inp (generated)

000756094.b3lyp_6-31g(d).smash.inp (generated)

000756094.b3lyp_6-31g(d).nwchem.inp (generated) 000756094.b3lyp_6-31g(d).log.xz 000756094.td-b3lyp_6-31g+(d).inp 000756094.td-b3lyp_6-31g+(d).log.xz

000756094.td-b3lyp_6-31+g(d).qchem.inp (generated)

000756094.td-b3lyp_6-31+g(d).gjf (generated)

000756094.td-b3lyp_6-31+g(d).firefly.inp (generated)

000756094.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000756094.mol 000756094.PUBCHEM 000756094.mol (via Jmol)
000756107.b3lyp_6-31g(d).inp

000756107.b3lyp_6-31g(d).qchem.inp (generated)

000756107.b3lyp_6-31g(d).gjf (generated)

000756107.b3lyp_6-31g(d).firefly.inp (generated)

000756107.b3lyp_6-31g(d).smash.inp (generated)

000756107.b3lyp_6-31g(d).nwchem.inp (generated) 000756107.b3lyp_6-31g(d).log.xz 000756107.td-b3lyp_6-31g+(d).inp 000756107.td-b3lyp_6-31g+(d).log.xz

000756107.td-b3lyp_6-31+g(d).qchem.inp (generated)

000756107.td-b3lyp_6-31+g(d).gjf (generated)

000756107.td-b3lyp_6-31+g(d).firefly.inp (generated)

000756107.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000756107.mol 000756107.PUBCHEM 000756107.mol (via Jmol)
000756180.b3lyp_6-31g(d).inp

000756180.b3lyp_6-31g(d).qchem.inp (generated)

000756180.b3lyp_6-31g(d).gjf (generated)

000756180.b3lyp_6-31g(d).firefly.inp (generated)

000756180.b3lyp_6-31g(d).smash.inp (generated)

000756180.b3lyp_6-31g(d).nwchem.inp (generated) 000756180.b3lyp_6-31g(d).log.xz 000756180.td-b3lyp_6-31g+(d).inp 000756180.td-b3lyp_6-31g+(d).log.xz

000756180.td-b3lyp_6-31+g(d).qchem.inp (generated)

000756180.td-b3lyp_6-31+g(d).gjf (generated)

000756180.td-b3lyp_6-31+g(d).firefly.inp (generated)

000756180.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000756180.mol 000756180.PUBCHEM 000756180.mol (via Jmol)
000756292.b3lyp_6-31g(d).inp

000756292.b3lyp_6-31g(d).qchem.inp (generated)

000756292.b3lyp_6-31g(d).gjf (generated)

000756292.b3lyp_6-31g(d).firefly.inp (generated)

000756292.b3lyp_6-31g(d).smash.inp (generated)

000756292.b3lyp_6-31g(d).nwchem.inp (generated) 000756292.b3lyp_6-31g(d).log.xz 000756292.td-b3lyp_6-31g+(d).inp 000756292.td-b3lyp_6-31g+(d).log.xz

000756292.td-b3lyp_6-31+g(d).qchem.inp (generated)

000756292.td-b3lyp_6-31+g(d).gjf (generated)

000756292.td-b3lyp_6-31+g(d).firefly.inp (generated)

000756292.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000756292.mol 000756292.PUBCHEM 000756292.mol (via Jmol)
000756320.b3lyp_6-31g(d).inp

000756320.b3lyp_6-31g(d).qchem.inp (generated)

000756320.b3lyp_6-31g(d).gjf (generated)

000756320.b3lyp_6-31g(d).firefly.inp (generated)

000756320.b3lyp_6-31g(d).smash.inp (generated)

000756320.b3lyp_6-31g(d).nwchem.inp (generated) 000756320.b3lyp_6-31g(d).log.xz 000756320.mol 000756320.PUBCHEM 000756320.mol (via Jmol)
000756322.b3lyp_6-31g(d).inp

000756322.b3lyp_6-31g(d).qchem.inp (generated)

000756322.b3lyp_6-31g(d).gjf (generated)

000756322.b3lyp_6-31g(d).firefly.inp (generated)

000756322.b3lyp_6-31g(d).smash.inp (generated)

000756322.b3lyp_6-31g(d).nwchem.inp (generated) 000756322.b3lyp_6-31g(d).log.xz 000756322.mol 000756322.PUBCHEM 000756322.mol (via Jmol)
000756366.b3lyp_6-31g(d).inp

000756366.b3lyp_6-31g(d).qchem.inp (generated)

000756366.b3lyp_6-31g(d).gjf (generated)

000756366.b3lyp_6-31g(d).firefly.inp (generated)

000756366.b3lyp_6-31g(d).smash.inp (generated)

000756366.b3lyp_6-31g(d).nwchem.inp (generated) 000756366.b3lyp_6-31g(d).log.xz 000756366.td-b3lyp_6-31g+(d).inp 000756366.td-b3lyp_6-31g+(d).log.xz

000756366.td-b3lyp_6-31+g(d).qchem.inp (generated)

000756366.td-b3lyp_6-31+g(d).gjf (generated)

000756366.td-b3lyp_6-31+g(d).firefly.inp (generated)

000756366.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000756366.mol 000756366.PUBCHEM 000756366.mol (via Jmol)
000756376.b3lyp_6-31g(d).inp

000756376.b3lyp_6-31g(d).qchem.inp (generated)

000756376.b3lyp_6-31g(d).gjf (generated)

000756376.b3lyp_6-31g(d).firefly.inp (generated)

000756376.b3lyp_6-31g(d).smash.inp (generated)

000756376.b3lyp_6-31g(d).nwchem.inp (generated) 000756376.b3lyp_6-31g(d).log.xz 000756376.td-b3lyp_6-31g+(d).inp 000756376.td-b3lyp_6-31g+(d).log.xz

000756376.td-b3lyp_6-31+g(d).qchem.inp (generated)

000756376.td-b3lyp_6-31+g(d).gjf (generated)

000756376.td-b3lyp_6-31+g(d).firefly.inp (generated)

000756376.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000756376.mol 000756376.PUBCHEM 000756376.mol (via Jmol)
000756382.b3lyp_6-31g(d).inp

000756382.b3lyp_6-31g(d).qchem.inp (generated)

000756382.b3lyp_6-31g(d).gjf (generated)

000756382.b3lyp_6-31g(d).firefly.inp (generated)

000756382.b3lyp_6-31g(d).smash.inp (generated)

000756382.b3lyp_6-31g(d).nwchem.inp (generated) 000756382.b3lyp_6-31g(d).log.xz 000756382.td-b3lyp_6-31g+(d).inp 000756382.td-b3lyp_6-31g+(d).log.xz

000756382.td-b3lyp_6-31+g(d).qchem.inp (generated)

000756382.td-b3lyp_6-31+g(d).gjf (generated)

000756382.td-b3lyp_6-31+g(d).firefly.inp (generated)

000756382.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000756382.mol 000756382.PUBCHEM 000756382.mol (via Jmol)
000756451.b3lyp_6-31g(d).inp

000756451.b3lyp_6-31g(d).qchem.inp (generated)

000756451.b3lyp_6-31g(d).gjf (generated)

000756451.b3lyp_6-31g(d).firefly.inp (generated)

000756451.b3lyp_6-31g(d).smash.inp (generated)

000756451.b3lyp_6-31g(d).nwchem.inp (generated) 000756451.b3lyp_6-31g(d).log.xz 000756451.td-b3lyp_6-31g+(d).inp 000756451.td-b3lyp_6-31g+(d).log.xz

000756451.td-b3lyp_6-31+g(d).qchem.inp (generated)

000756451.td-b3lyp_6-31+g(d).gjf (generated)

000756451.td-b3lyp_6-31+g(d).firefly.inp (generated)

000756451.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000756451.mol 000756451.PUBCHEM 000756451.mol (via Jmol)
000756453.b3lyp_6-31g(d).inp

000756453.b3lyp_6-31g(d).qchem.inp (generated)

000756453.b3lyp_6-31g(d).gjf (generated)

000756453.b3lyp_6-31g(d).firefly.inp (generated)

000756453.b3lyp_6-31g(d).smash.inp (generated)

000756453.b3lyp_6-31g(d).nwchem.inp (generated) 000756453.b3lyp_6-31g(d).log.xz 000756453.td-b3lyp_6-31g+(d).inp 000756453.td-b3lyp_6-31g+(d).log.xz

000756453.td-b3lyp_6-31+g(d).qchem.inp (generated)

000756453.td-b3lyp_6-31+g(d).gjf (generated)

000756453.td-b3lyp_6-31+g(d).firefly.inp (generated)

000756453.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000756453.mol 000756453.PUBCHEM 000756453.mol (via Jmol)
000756458.b3lyp_6-31g(d).inp

000756458.b3lyp_6-31g(d).qchem.inp (generated)

000756458.b3lyp_6-31g(d).gjf (generated)

000756458.b3lyp_6-31g(d).firefly.inp (generated)

000756458.b3lyp_6-31g(d).smash.inp (generated)

000756458.b3lyp_6-31g(d).nwchem.inp (generated) 000756458.b3lyp_6-31g(d).log.xz 000756458.mol 000756458.PUBCHEM 000756458.mol (via Jmol)
000756459.b3lyp_6-31g(d).inp

000756459.b3lyp_6-31g(d).qchem.inp (generated)

000756459.b3lyp_6-31g(d).gjf (generated)

000756459.b3lyp_6-31g(d).firefly.inp (generated)

000756459.b3lyp_6-31g(d).smash.inp (generated)

000756459.b3lyp_6-31g(d).nwchem.inp (generated) 000756459.b3lyp_6-31g(d).log.xz 000756459.mol 000756459.PUBCHEM 000756459.mol (via Jmol)
000756460.b3lyp_6-31g(d).inp

000756460.b3lyp_6-31g(d).qchem.inp (generated)

000756460.b3lyp_6-31g(d).gjf (generated)

000756460.b3lyp_6-31g(d).firefly.inp (generated)

000756460.b3lyp_6-31g(d).smash.inp (generated)

000756460.b3lyp_6-31g(d).nwchem.inp (generated) 000756460.b3lyp_6-31g(d).log.xz 000756460.td-b3lyp_6-31g+(d).inp 000756460.td-b3lyp_6-31g+(d).log.xz

000756460.td-b3lyp_6-31+g(d).qchem.inp (generated)

000756460.td-b3lyp_6-31+g(d).gjf (generated)

000756460.td-b3lyp_6-31+g(d).firefly.inp (generated)

000756460.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000756460.mol 000756460.PUBCHEM 000756460.mol (via Jmol)
000756461.b3lyp_6-31g(d).inp

000756461.b3lyp_6-31g(d).qchem.inp (generated)

000756461.b3lyp_6-31g(d).gjf (generated)

000756461.b3lyp_6-31g(d).firefly.inp (generated)

000756461.b3lyp_6-31g(d).smash.inp (generated)

000756461.b3lyp_6-31g(d).nwchem.inp (generated) 000756461.b3lyp_6-31g(d).log.xz 000756461.td-b3lyp_6-31g+(d).inp 000756461.td-b3lyp_6-31g+(d).log.xz

000756461.td-b3lyp_6-31+g(d).qchem.inp (generated)

000756461.td-b3lyp_6-31+g(d).gjf (generated)

000756461.td-b3lyp_6-31+g(d).firefly.inp (generated)

000756461.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000756461.mol 000756461.PUBCHEM 000756461.mol (via Jmol)
000756463.b3lyp_6-31g(d).inp

000756463.b3lyp_6-31g(d).qchem.inp (generated)

000756463.b3lyp_6-31g(d).gjf (generated)

000756463.b3lyp_6-31g(d).firefly.inp (generated)

000756463.b3lyp_6-31g(d).smash.inp (generated)

000756463.b3lyp_6-31g(d).nwchem.inp (generated) 000756463.b3lyp_6-31g(d).log.xz 000756463.mol 000756463.PUBCHEM 000756463.mol (via Jmol)
000756466.b3lyp_6-31g(d).inp

000756466.b3lyp_6-31g(d).qchem.inp (generated)

000756466.b3lyp_6-31g(d).gjf (generated)

000756466.b3lyp_6-31g(d).firefly.inp (generated)

000756466.b3lyp_6-31g(d).smash.inp (generated)

000756466.b3lyp_6-31g(d).nwchem.inp (generated) 000756466.b3lyp_6-31g(d).log.xz 000756466.td-b3lyp_6-31g+(d).inp 000756466.td-b3lyp_6-31g+(d).log.xz

000756466.td-b3lyp_6-31+g(d).qchem.inp (generated)

000756466.td-b3lyp_6-31+g(d).gjf (generated)

000756466.td-b3lyp_6-31+g(d).firefly.inp (generated)

000756466.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000756466.mol 000756466.PUBCHEM 000756466.mol (via Jmol)
000756497.b3lyp_6-31g(d).inp

000756497.b3lyp_6-31g(d).qchem.inp (generated)

000756497.b3lyp_6-31g(d).gjf (generated)

000756497.b3lyp_6-31g(d).firefly.inp (generated)

000756497.b3lyp_6-31g(d).smash.inp (generated)

000756497.b3lyp_6-31g(d).nwchem.inp (generated) 000756497.b3lyp_6-31g(d).log.xz 000756497.mol 000756497.PUBCHEM 000756497.mol (via Jmol)
000756504.b3lyp_6-31g(d).inp

000756504.b3lyp_6-31g(d).qchem.inp (generated)

000756504.b3lyp_6-31g(d).gjf (generated)

000756504.b3lyp_6-31g(d).firefly.inp (generated)

000756504.b3lyp_6-31g(d).smash.inp (generated)

000756504.b3lyp_6-31g(d).nwchem.inp (generated) 000756504.b3lyp_6-31g(d).log.xz 000756504.mol 000756504.PUBCHEM 000756504.mol (via Jmol)
000756505.b3lyp_6-31g(d).inp

000756505.b3lyp_6-31g(d).qchem.inp (generated)

000756505.b3lyp_6-31g(d).gjf (generated)

000756505.b3lyp_6-31g(d).firefly.inp (generated)

000756505.b3lyp_6-31g(d).smash.inp (generated)

000756505.b3lyp_6-31g(d).nwchem.inp (generated) 000756505.b3lyp_6-31g(d).log.xz 000756505.mol 000756505.PUBCHEM 000756505.mol (via Jmol)
000756512.b3lyp_6-31g(d).inp

000756512.b3lyp_6-31g(d).qchem.inp (generated)

000756512.b3lyp_6-31g(d).gjf (generated)

000756512.b3lyp_6-31g(d).firefly.inp (generated)

000756512.b3lyp_6-31g(d).smash.inp (generated)

000756512.b3lyp_6-31g(d).nwchem.inp (generated) 000756512.b3lyp_6-31g(d).log.xz 000756512.td-b3lyp_6-31g+(d).inp 000756512.td-b3lyp_6-31g+(d).log.xz

000756512.td-b3lyp_6-31+g(d).qchem.inp (generated)

000756512.td-b3lyp_6-31+g(d).gjf (generated)

000756512.td-b3lyp_6-31+g(d).firefly.inp (generated)

000756512.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000756512.mol 000756512.PUBCHEM 000756512.mol (via Jmol)
000756523.b3lyp_6-31g(d).inp

000756523.b3lyp_6-31g(d).qchem.inp (generated)

000756523.b3lyp_6-31g(d).gjf (generated)

000756523.b3lyp_6-31g(d).firefly.inp (generated)

000756523.b3lyp_6-31g(d).smash.inp (generated)

000756523.b3lyp_6-31g(d).nwchem.inp (generated) 000756523.b3lyp_6-31g(d).log.xz 000756523.td-b3lyp_6-31g+(d).inp 000756523.td-b3lyp_6-31g+(d).log.xz

000756523.td-b3lyp_6-31+g(d).qchem.inp (generated)

000756523.td-b3lyp_6-31+g(d).gjf (generated)

000756523.td-b3lyp_6-31+g(d).firefly.inp (generated)

000756523.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000756523.mol 000756523.PUBCHEM 000756523.mol (via Jmol)
000756525.b3lyp_6-31g(d).inp

000756525.b3lyp_6-31g(d).qchem.inp (generated)

000756525.b3lyp_6-31g(d).gjf (generated)

000756525.b3lyp_6-31g(d).firefly.inp (generated)

000756525.b3lyp_6-31g(d).smash.inp (generated)

000756525.b3lyp_6-31g(d).nwchem.inp (generated) 000756525.b3lyp_6-31g(d).log.xz 000756525.td-b3lyp_6-31g+(d).inp 000756525.td-b3lyp_6-31g+(d).log.xz

000756525.td-b3lyp_6-31+g(d).qchem.inp (generated)

000756525.td-b3lyp_6-31+g(d).gjf (generated)

000756525.td-b3lyp_6-31+g(d).firefly.inp (generated)

000756525.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000756525.mol 000756525.PUBCHEM 000756525.mol (via Jmol)
000756565.b3lyp_6-31g(d).inp

000756565.b3lyp_6-31g(d).qchem.inp (generated)

000756565.b3lyp_6-31g(d).gjf (generated)

000756565.b3lyp_6-31g(d).firefly.inp (generated)

000756565.b3lyp_6-31g(d).smash.inp (generated)

000756565.b3lyp_6-31g(d).nwchem.inp (generated) 000756565.b3lyp_6-31g(d).log.xz 000756565.td-b3lyp_6-31g+(d).inp 000756565.td-b3lyp_6-31g+(d).log.xz

000756565.td-b3lyp_6-31+g(d).qchem.inp (generated)

000756565.td-b3lyp_6-31+g(d).gjf (generated)

000756565.td-b3lyp_6-31+g(d).firefly.inp (generated)

000756565.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000756565.mol 000756565.PUBCHEM 000756565.mol (via Jmol)
000756566.b3lyp_6-31g(d).inp

000756566.b3lyp_6-31g(d).qchem.inp (generated)

000756566.b3lyp_6-31g(d).gjf (generated)

000756566.b3lyp_6-31g(d).firefly.inp (generated)

000756566.b3lyp_6-31g(d).smash.inp (generated)

000756566.b3lyp_6-31g(d).nwchem.inp (generated) 000756566.b3lyp_6-31g(d).log.xz 000756566.td-b3lyp_6-31g+(d).inp 000756566.td-b3lyp_6-31g+(d).log.xz

000756566.td-b3lyp_6-31+g(d).qchem.inp (generated)

000756566.td-b3lyp_6-31+g(d).gjf (generated)

000756566.td-b3lyp_6-31+g(d).firefly.inp (generated)

000756566.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000756566.mol 000756566.PUBCHEM 000756566.mol (via Jmol)
000756567.b3lyp_6-31g(d).inp

000756567.b3lyp_6-31g(d).qchem.inp (generated)

000756567.b3lyp_6-31g(d).gjf (generated)

000756567.b3lyp_6-31g(d).firefly.inp (generated)

000756567.b3lyp_6-31g(d).smash.inp (generated)

000756567.b3lyp_6-31g(d).nwchem.inp (generated) 000756567.b3lyp_6-31g(d).log.xz 000756567.td-b3lyp_6-31g+(d).inp 000756567.td-b3lyp_6-31g+(d).log.xz

000756567.td-b3lyp_6-31+g(d).qchem.inp (generated)

000756567.td-b3lyp_6-31+g(d).gjf (generated)

000756567.td-b3lyp_6-31+g(d).firefly.inp (generated)

000756567.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000756567.mol 000756567.PUBCHEM 000756567.mol (via Jmol)
000756568.b3lyp_6-31g(d).inp

000756568.b3lyp_6-31g(d).qchem.inp (generated)

000756568.b3lyp_6-31g(d).gjf (generated)

000756568.b3lyp_6-31g(d).firefly.inp (generated)

000756568.b3lyp_6-31g(d).smash.inp (generated)

000756568.b3lyp_6-31g(d).nwchem.inp (generated) 000756568.b3lyp_6-31g(d).log.xz 000756568.td-b3lyp_6-31g+(d).inp 000756568.td-b3lyp_6-31g+(d).log.xz

000756568.td-b3lyp_6-31+g(d).qchem.inp (generated)

000756568.td-b3lyp_6-31+g(d).gjf (generated)

000756568.td-b3lyp_6-31+g(d).firefly.inp (generated)

000756568.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000756568.mol 000756568.PUBCHEM 000756568.mol (via Jmol)
000756589.b3lyp_6-31g(d).inp

000756589.b3lyp_6-31g(d).qchem.inp (generated)

000756589.b3lyp_6-31g(d).gjf (generated)

000756589.b3lyp_6-31g(d).firefly.inp (generated)

000756589.b3lyp_6-31g(d).smash.inp (generated)

000756589.b3lyp_6-31g(d).nwchem.inp (generated) 000756589.b3lyp_6-31g(d).log.xz 000756589.mol 000756589.PUBCHEM 000756589.mol (via Jmol)
000756595.b3lyp_6-31g(d).inp

000756595.b3lyp_6-31g(d).qchem.inp (generated)

000756595.b3lyp_6-31g(d).gjf (generated)

000756595.b3lyp_6-31g(d).firefly.inp (generated)

000756595.b3lyp_6-31g(d).smash.inp (generated)

000756595.b3lyp_6-31g(d).nwchem.inp (generated) 000756595.b3lyp_6-31g(d).log.xz 000756595.td-b3lyp_6-31g+(d).inp 000756595.td-b3lyp_6-31g+(d).log.xz

000756595.td-b3lyp_6-31+g(d).qchem.inp (generated)

000756595.td-b3lyp_6-31+g(d).gjf (generated)

000756595.td-b3lyp_6-31+g(d).firefly.inp (generated)

000756595.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000756595.mol 000756595.PUBCHEM 000756595.mol (via Jmol)
000756618.b3lyp_6-31g(d).inp

000756618.b3lyp_6-31g(d).qchem.inp (generated)

000756618.b3lyp_6-31g(d).gjf (generated)

000756618.b3lyp_6-31g(d).firefly.inp (generated)

000756618.b3lyp_6-31g(d).smash.inp (generated)

000756618.b3lyp_6-31g(d).nwchem.inp (generated) 000756618.b3lyp_6-31g(d).log.xz 000756618.mol 000756618.PUBCHEM 000756618.mol (via Jmol)
000756620.b3lyp_6-31g(d).inp

000756620.b3lyp_6-31g(d).qchem.inp (generated)

000756620.b3lyp_6-31g(d).gjf (generated)

000756620.b3lyp_6-31g(d).firefly.inp (generated)

000756620.b3lyp_6-31g(d).smash.inp (generated)

000756620.b3lyp_6-31g(d).nwchem.inp (generated) 000756620.b3lyp_6-31g(d).log.xz 000756620.mol 000756620.PUBCHEM 000756620.mol (via Jmol)
000756627.b3lyp_6-31g(d).inp

000756627.b3lyp_6-31g(d).qchem.inp (generated)

000756627.b3lyp_6-31g(d).gjf (generated)

000756627.b3lyp_6-31g(d).firefly.inp (generated)

000756627.b3lyp_6-31g(d).smash.inp (generated)

000756627.b3lyp_6-31g(d).nwchem.inp (generated) 000756627.b3lyp_6-31g(d).log.xz 000756627.td-b3lyp_6-31g+(d).inp 000756627.td-b3lyp_6-31g+(d).log.xz

000756627.td-b3lyp_6-31+g(d).qchem.inp (generated)

000756627.td-b3lyp_6-31+g(d).gjf (generated)

000756627.td-b3lyp_6-31+g(d).firefly.inp (generated)

000756627.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000756627.mol 000756627.PUBCHEM 000756627.mol (via Jmol)
000756638.b3lyp_6-31g(d).inp

000756638.b3lyp_6-31g(d).qchem.inp (generated)

000756638.b3lyp_6-31g(d).gjf (generated)

000756638.b3lyp_6-31g(d).firefly.inp (generated)

000756638.b3lyp_6-31g(d).smash.inp (generated)

000756638.b3lyp_6-31g(d).nwchem.inp (generated) 000756638.b3lyp_6-31g(d).log.xz 000756638.td-b3lyp_6-31g+(d).inp 000756638.td-b3lyp_6-31g+(d).log.xz

000756638.td-b3lyp_6-31+g(d).qchem.inp (generated)

000756638.td-b3lyp_6-31+g(d).gjf (generated)

000756638.td-b3lyp_6-31+g(d).firefly.inp (generated)

000756638.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000756638.mol 000756638.PUBCHEM 000756638.mol (via Jmol)
000756651.b3lyp_6-31g(d).inp

000756651.b3lyp_6-31g(d).qchem.inp (generated)

000756651.b3lyp_6-31g(d).gjf (generated)

000756651.b3lyp_6-31g(d).firefly.inp (generated)

000756651.b3lyp_6-31g(d).smash.inp (generated)

000756651.b3lyp_6-31g(d).nwchem.inp (generated) 000756651.b3lyp_6-31g(d).log.xz 000756651.td-b3lyp_6-31g+(d).inp 000756651.td-b3lyp_6-31g+(d).log.xz

000756651.td-b3lyp_6-31+g(d).qchem.inp (generated)

000756651.td-b3lyp_6-31+g(d).gjf (generated)

000756651.td-b3lyp_6-31+g(d).firefly.inp (generated)

000756651.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000756651.mol 000756651.PUBCHEM 000756651.mol (via Jmol)
000756669.b3lyp_6-31g(d).inp

000756669.b3lyp_6-31g(d).qchem.inp (generated)

000756669.b3lyp_6-31g(d).gjf (generated)

000756669.b3lyp_6-31g(d).firefly.inp (generated)

000756669.b3lyp_6-31g(d).smash.inp (generated)

000756669.b3lyp_6-31g(d).nwchem.inp (generated) 000756669.b3lyp_6-31g(d).log.xz 000756669.td-b3lyp_6-31g+(d).inp 000756669.td-b3lyp_6-31g+(d).log.xz

000756669.td-b3lyp_6-31+g(d).qchem.inp (generated)

000756669.td-b3lyp_6-31+g(d).gjf (generated)

000756669.td-b3lyp_6-31+g(d).firefly.inp (generated)

000756669.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000756669.mol 000756669.PUBCHEM 000756669.mol (via Jmol)
000756670.b3lyp_6-31g(d).inp

000756670.b3lyp_6-31g(d).qchem.inp (generated)

000756670.b3lyp_6-31g(d).gjf (generated)

000756670.b3lyp_6-31g(d).firefly.inp (generated)

000756670.b3lyp_6-31g(d).smash.inp (generated)

000756670.b3lyp_6-31g(d).nwchem.inp (generated) 000756670.b3lyp_6-31g(d).log.xz 000756670.mol 000756670.PUBCHEM 000756670.mol (via Jmol)
000756672.b3lyp_6-31g(d).inp

000756672.b3lyp_6-31g(d).qchem.inp (generated)

000756672.b3lyp_6-31g(d).gjf (generated)

000756672.b3lyp_6-31g(d).firefly.inp (generated)

000756672.b3lyp_6-31g(d).smash.inp (generated)

000756672.b3lyp_6-31g(d).nwchem.inp (generated) 000756672.b3lyp_6-31g(d).log.xz 000756672.mol 000756672.PUBCHEM 000756672.mol (via Jmol)
000756677.b3lyp_6-31g(d).inp

000756677.b3lyp_6-31g(d).qchem.inp (generated)

000756677.b3lyp_6-31g(d).gjf (generated)

000756677.b3lyp_6-31g(d).firefly.inp (generated)

000756677.b3lyp_6-31g(d).smash.inp (generated)

000756677.b3lyp_6-31g(d).nwchem.inp (generated) 000756677.b3lyp_6-31g(d).log.xz 000756677.td-b3lyp_6-31g+(d).inp 000756677.td-b3lyp_6-31g+(d).log.xz

000756677.td-b3lyp_6-31+g(d).qchem.inp (generated)

000756677.td-b3lyp_6-31+g(d).gjf (generated)

000756677.td-b3lyp_6-31+g(d).firefly.inp (generated)

000756677.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000756677.mol 000756677.PUBCHEM 000756677.mol (via Jmol)
000756679.b3lyp_6-31g(d).inp

000756679.b3lyp_6-31g(d).qchem.inp (generated)

000756679.b3lyp_6-31g(d).gjf (generated)

000756679.b3lyp_6-31g(d).firefly.inp (generated)

000756679.b3lyp_6-31g(d).smash.inp (generated)

000756679.b3lyp_6-31g(d).nwchem.inp (generated) 000756679.b3lyp_6-31g(d).log.xz 000756679.td-b3lyp_6-31g+(d).inp 000756679.td-b3lyp_6-31g+(d).log.xz

000756679.td-b3lyp_6-31+g(d).qchem.inp (generated)

000756679.td-b3lyp_6-31+g(d).gjf (generated)

000756679.td-b3lyp_6-31+g(d).firefly.inp (generated)

000756679.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000756679.mol 000756679.PUBCHEM 000756679.mol (via Jmol)
000756680.b3lyp_6-31g(d).inp

000756680.b3lyp_6-31g(d).qchem.inp (generated)

000756680.b3lyp_6-31g(d).gjf (generated)

000756680.b3lyp_6-31g(d).firefly.inp (generated)

000756680.b3lyp_6-31g(d).smash.inp (generated)

000756680.b3lyp_6-31g(d).nwchem.inp (generated) 000756680.b3lyp_6-31g(d).log.xz 000756680.td-b3lyp_6-31g+(d).inp 000756680.td-b3lyp_6-31g+(d).log.xz

000756680.td-b3lyp_6-31+g(d).qchem.inp (generated)

000756680.td-b3lyp_6-31+g(d).gjf (generated)

000756680.td-b3lyp_6-31+g(d).firefly.inp (generated)

000756680.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000756680.mol 000756680.PUBCHEM 000756680.mol (via Jmol)
000756681.b3lyp_6-31g(d).inp

000756681.b3lyp_6-31g(d).qchem.inp (generated)

000756681.b3lyp_6-31g(d).gjf (generated)

000756681.b3lyp_6-31g(d).firefly.inp (generated)

000756681.b3lyp_6-31g(d).smash.inp (generated)

000756681.b3lyp_6-31g(d).nwchem.inp (generated) 000756681.b3lyp_6-31g(d).log.xz 000756681.td-b3lyp_6-31g+(d).inp 000756681.td-b3lyp_6-31g+(d).log.xz

000756681.td-b3lyp_6-31+g(d).qchem.inp (generated)

000756681.td-b3lyp_6-31+g(d).gjf (generated)

000756681.td-b3lyp_6-31+g(d).firefly.inp (generated)

000756681.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000756681.mol 000756681.PUBCHEM 000756681.mol (via Jmol)
000756684.b3lyp_6-31g(d).inp

000756684.b3lyp_6-31g(d).qchem.inp (generated)

000756684.b3lyp_6-31g(d).gjf (generated)

000756684.b3lyp_6-31g(d).firefly.inp (generated)

000756684.b3lyp_6-31g(d).smash.inp (generated)

000756684.b3lyp_6-31g(d).nwchem.inp (generated) 000756684.b3lyp_6-31g(d).log.xz 000756684.td-b3lyp_6-31g+(d).inp 000756684.td-b3lyp_6-31g+(d).log.xz

000756684.td-b3lyp_6-31+g(d).qchem.inp (generated)

000756684.td-b3lyp_6-31+g(d).gjf (generated)

000756684.td-b3lyp_6-31+g(d).firefly.inp (generated)

000756684.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000756684.mol 000756684.PUBCHEM 000756684.mol (via Jmol)
000756686.b3lyp_6-31g(d).inp

000756686.b3lyp_6-31g(d).qchem.inp (generated)

000756686.b3lyp_6-31g(d).gjf (generated)

000756686.b3lyp_6-31g(d).firefly.inp (generated)

000756686.b3lyp_6-31g(d).smash.inp (generated)

000756686.b3lyp_6-31g(d).nwchem.inp (generated) 000756686.b3lyp_6-31g(d).log.xz 000756686.td-b3lyp_6-31g+(d).inp 000756686.td-b3lyp_6-31g+(d).log.xz

000756686.td-b3lyp_6-31+g(d).qchem.inp (generated)

000756686.td-b3lyp_6-31+g(d).gjf (generated)

000756686.td-b3lyp_6-31+g(d).firefly.inp (generated)

000756686.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000756686.mol 000756686.PUBCHEM 000756686.mol (via Jmol)
000756687.b3lyp_6-31g(d).inp

000756687.b3lyp_6-31g(d).qchem.inp (generated)

000756687.b3lyp_6-31g(d).gjf (generated)

000756687.b3lyp_6-31g(d).firefly.inp (generated)

000756687.b3lyp_6-31g(d).smash.inp (generated)

000756687.b3lyp_6-31g(d).nwchem.inp (generated) 000756687.b3lyp_6-31g(d).log.xz 000756687.td-b3lyp_6-31g+(d).inp 000756687.td-b3lyp_6-31g+(d).log.xz

000756687.td-b3lyp_6-31+g(d).qchem.inp (generated)

000756687.td-b3lyp_6-31+g(d).gjf (generated)

000756687.td-b3lyp_6-31+g(d).firefly.inp (generated)

000756687.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000756687.mol 000756687.PUBCHEM 000756687.mol (via Jmol)
000756688.b3lyp_6-31g(d).inp

000756688.b3lyp_6-31g(d).qchem.inp (generated)

000756688.b3lyp_6-31g(d).gjf (generated)

000756688.b3lyp_6-31g(d).firefly.inp (generated)

000756688.b3lyp_6-31g(d).smash.inp (generated)

000756688.b3lyp_6-31g(d).nwchem.inp (generated) 000756688.b3lyp_6-31g(d).log.xz 000756688.mol 000756688.PUBCHEM 000756688.mol (via Jmol)
000756690.b3lyp_6-31g(d).inp

000756690.b3lyp_6-31g(d).qchem.inp (generated)

000756690.b3lyp_6-31g(d).gjf (generated)

000756690.b3lyp_6-31g(d).firefly.inp (generated)

000756690.b3lyp_6-31g(d).smash.inp (generated)

000756690.b3lyp_6-31g(d).nwchem.inp (generated) 000756690.b3lyp_6-31g(d).log.xz 000756690.td-b3lyp_6-31g+(d).inp 000756690.td-b3lyp_6-31g+(d).log.xz

000756690.td-b3lyp_6-31+g(d).qchem.inp (generated)

000756690.td-b3lyp_6-31+g(d).gjf (generated)

000756690.td-b3lyp_6-31+g(d).firefly.inp (generated)

000756690.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000756690.mol 000756690.PUBCHEM 000756690.mol (via Jmol)
000756691.b3lyp_6-31g(d).inp

000756691.b3lyp_6-31g(d).qchem.inp (generated)

000756691.b3lyp_6-31g(d).gjf (generated)

000756691.b3lyp_6-31g(d).firefly.inp (generated)

000756691.b3lyp_6-31g(d).smash.inp (generated)

000756691.b3lyp_6-31g(d).nwchem.inp (generated) 000756691.b3lyp_6-31g(d).log.xz 000756691.mol 000756691.PUBCHEM 000756691.mol (via Jmol)
000756698.b3lyp_6-31g(d).inp

000756698.b3lyp_6-31g(d).qchem.inp (generated)

000756698.b3lyp_6-31g(d).gjf (generated)

000756698.b3lyp_6-31g(d).firefly.inp (generated)

000756698.b3lyp_6-31g(d).smash.inp (generated)

000756698.b3lyp_6-31g(d).nwchem.inp (generated) 000756698.b3lyp_6-31g(d).log.xz 000756698.td-b3lyp_6-31g+(d).inp 000756698.td-b3lyp_6-31g+(d).log.xz

000756698.td-b3lyp_6-31+g(d).qchem.inp (generated)

000756698.td-b3lyp_6-31+g(d).gjf (generated)

000756698.td-b3lyp_6-31+g(d).firefly.inp (generated)

000756698.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000756698.mol 000756698.PUBCHEM 000756698.mol (via Jmol)
000756700.b3lyp_6-31g(d).inp

000756700.b3lyp_6-31g(d).qchem.inp (generated)

000756700.b3lyp_6-31g(d).gjf (generated)

000756700.b3lyp_6-31g(d).firefly.inp (generated)

000756700.b3lyp_6-31g(d).smash.inp (generated)

000756700.b3lyp_6-31g(d).nwchem.inp (generated) 000756700.b3lyp_6-31g(d).log.xz 000756700.mol 000756700.PUBCHEM 000756700.mol (via Jmol)
000756701.b3lyp_6-31g(d).inp

000756701.b3lyp_6-31g(d).qchem.inp (generated)

000756701.b3lyp_6-31g(d).gjf (generated)

000756701.b3lyp_6-31g(d).firefly.inp (generated)

000756701.b3lyp_6-31g(d).smash.inp (generated)

000756701.b3lyp_6-31g(d).nwchem.inp (generated) 000756701.b3lyp_6-31g(d).log.xz 000756701.td-b3lyp_6-31g+(d).inp 000756701.td-b3lyp_6-31g+(d).log.xz

000756701.td-b3lyp_6-31+g(d).qchem.inp (generated)

000756701.td-b3lyp_6-31+g(d).gjf (generated)

000756701.td-b3lyp_6-31+g(d).firefly.inp (generated)

000756701.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000756701.mol 000756701.PUBCHEM 000756701.mol (via Jmol)
000756708.b3lyp_6-31g(d).inp

000756708.b3lyp_6-31g(d).qchem.inp (generated)

000756708.b3lyp_6-31g(d).gjf (generated)

000756708.b3lyp_6-31g(d).firefly.inp (generated)

000756708.b3lyp_6-31g(d).smash.inp (generated)

000756708.b3lyp_6-31g(d).nwchem.inp (generated) 000756708.b3lyp_6-31g(d).log.xz 000756708.mol 000756708.PUBCHEM 000756708.mol (via Jmol)
000756712.b3lyp_6-31g(d).inp

000756712.b3lyp_6-31g(d).qchem.inp (generated)

000756712.b3lyp_6-31g(d).gjf (generated)

000756712.b3lyp_6-31g(d).firefly.inp (generated)

000756712.b3lyp_6-31g(d).smash.inp (generated)

000756712.b3lyp_6-31g(d).nwchem.inp (generated) 000756712.b3lyp_6-31g(d).log.xz 000756712.mol 000756712.PUBCHEM 000756712.mol (via Jmol)
000756796.b3lyp_6-31g(d).inp

000756796.b3lyp_6-31g(d).qchem.inp (generated)

000756796.b3lyp_6-31g(d).gjf (generated)

000756796.b3lyp_6-31g(d).firefly.inp (generated)

000756796.b3lyp_6-31g(d).smash.inp (generated)

000756796.b3lyp_6-31g(d).nwchem.inp (generated) 000756796.b3lyp_6-31g(d).log.xz 000756796.td-b3lyp_6-31g+(d).inp 000756796.td-b3lyp_6-31g+(d).log.xz

000756796.td-b3lyp_6-31+g(d).qchem.inp (generated)

000756796.td-b3lyp_6-31+g(d).gjf (generated)

000756796.td-b3lyp_6-31+g(d).firefly.inp (generated)

000756796.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000756796.mol 000756796.PUBCHEM 000756796.mol (via Jmol)
000756797.b3lyp_6-31g(d).inp

000756797.b3lyp_6-31g(d).qchem.inp (generated)

000756797.b3lyp_6-31g(d).gjf (generated)

000756797.b3lyp_6-31g(d).firefly.inp (generated)

000756797.b3lyp_6-31g(d).smash.inp (generated)

000756797.b3lyp_6-31g(d).nwchem.inp (generated) 000756797.b3lyp_6-31g(d).log.xz 000756797.td-b3lyp_6-31g+(d).inp 000756797.td-b3lyp_6-31g+(d).log.xz

000756797.td-b3lyp_6-31+g(d).qchem.inp (generated)

000756797.td-b3lyp_6-31+g(d).gjf (generated)

000756797.td-b3lyp_6-31+g(d).firefly.inp (generated)

000756797.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000756797.mol 000756797.PUBCHEM 000756797.mol (via Jmol)
000756798.b3lyp_6-31g(d).inp

000756798.b3lyp_6-31g(d).qchem.inp (generated)

000756798.b3lyp_6-31g(d).gjf (generated)

000756798.b3lyp_6-31g(d).firefly.inp (generated)

000756798.b3lyp_6-31g(d).smash.inp (generated)

000756798.b3lyp_6-31g(d).nwchem.inp (generated) 000756798.b3lyp_6-31g(d).log.xz 000756798.td-b3lyp_6-31g+(d).inp 000756798.td-b3lyp_6-31g+(d).log.xz

000756798.td-b3lyp_6-31+g(d).qchem.inp (generated)

000756798.td-b3lyp_6-31+g(d).gjf (generated)

000756798.td-b3lyp_6-31+g(d).firefly.inp (generated)

000756798.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000756798.mol 000756798.PUBCHEM 000756798.mol (via Jmol)
000756807.b3lyp_6-31g(d).inp

000756807.b3lyp_6-31g(d).qchem.inp (generated)

000756807.b3lyp_6-31g(d).gjf (generated)

000756807.b3lyp_6-31g(d).firefly.inp (generated)

000756807.b3lyp_6-31g(d).smash.inp (generated)

000756807.b3lyp_6-31g(d).nwchem.inp (generated) 000756807.b3lyp_6-31g(d).log.xz 000756807.td-b3lyp_6-31g+(d).inp 000756807.td-b3lyp_6-31g+(d).log.xz

000756807.td-b3lyp_6-31+g(d).qchem.inp (generated)

000756807.td-b3lyp_6-31+g(d).gjf (generated)

000756807.td-b3lyp_6-31+g(d).firefly.inp (generated)

000756807.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000756807.mol 000756807.PUBCHEM 000756807.mol (via Jmol)
000756820.b3lyp_6-31g(d).inp

000756820.b3lyp_6-31g(d).qchem.inp (generated)

000756820.b3lyp_6-31g(d).gjf (generated)

000756820.b3lyp_6-31g(d).firefly.inp (generated)

000756820.b3lyp_6-31g(d).smash.inp (generated)

000756820.b3lyp_6-31g(d).nwchem.inp (generated) 000756820.b3lyp_6-31g(d).log.xz 000756820.td-b3lyp_6-31g+(d).inp 000756820.td-b3lyp_6-31g+(d).log.xz

000756820.td-b3lyp_6-31+g(d).qchem.inp (generated)

000756820.td-b3lyp_6-31+g(d).gjf (generated)

000756820.td-b3lyp_6-31+g(d).firefly.inp (generated)

000756820.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000756820.mol 000756820.PUBCHEM 000756820.mol (via Jmol)
000756825.b3lyp_6-31g(d).inp

000756825.b3lyp_6-31g(d).qchem.inp (generated)

000756825.b3lyp_6-31g(d).gjf (generated)

000756825.b3lyp_6-31g(d).firefly.inp (generated)

000756825.b3lyp_6-31g(d).smash.inp (generated)

000756825.b3lyp_6-31g(d).nwchem.inp (generated) 000756825.b3lyp_6-31g(d).log.xz 000756825.td-b3lyp_6-31g+(d).inp 000756825.td-b3lyp_6-31g+(d).log.xz

000756825.td-b3lyp_6-31+g(d).qchem.inp (generated)

000756825.td-b3lyp_6-31+g(d).gjf (generated)

000756825.td-b3lyp_6-31+g(d).firefly.inp (generated)

000756825.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000756825.mol 000756825.PUBCHEM 000756825.mol (via Jmol)
000756826.b3lyp_6-31g(d).inp

000756826.b3lyp_6-31g(d).qchem.inp (generated)

000756826.b3lyp_6-31g(d).gjf (generated)

000756826.b3lyp_6-31g(d).firefly.inp (generated)

000756826.b3lyp_6-31g(d).smash.inp (generated)

000756826.b3lyp_6-31g(d).nwchem.inp (generated) 000756826.b3lyp_6-31g(d).log.xz 000756826.mol 000756826.PUBCHEM 000756826.mol (via Jmol)
000756834.b3lyp_6-31g(d).inp

000756834.b3lyp_6-31g(d).qchem.inp (generated)

000756834.b3lyp_6-31g(d).gjf (generated)

000756834.b3lyp_6-31g(d).firefly.inp (generated)

000756834.b3lyp_6-31g(d).smash.inp (generated)

000756834.b3lyp_6-31g(d).nwchem.inp (generated) 000756834.b3lyp_6-31g(d).log.xz 000756834.mol 000756834.PUBCHEM 000756834.mol (via Jmol)
000756855.b3lyp_6-31g(d).inp

000756855.b3lyp_6-31g(d).qchem.inp (generated)

000756855.b3lyp_6-31g(d).gjf (generated)

000756855.b3lyp_6-31g(d).firefly.inp (generated)

000756855.b3lyp_6-31g(d).smash.inp (generated)

000756855.b3lyp_6-31g(d).nwchem.inp (generated) 000756855.b3lyp_6-31g(d).log.xz 000756855.td-b3lyp_6-31g+(d).inp 000756855.td-b3lyp_6-31g+(d).log.xz

000756855.td-b3lyp_6-31+g(d).qchem.inp (generated)

000756855.td-b3lyp_6-31+g(d).gjf (generated)

000756855.td-b3lyp_6-31+g(d).firefly.inp (generated)

000756855.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000756855.mol