Index of

Last updated : Thu Aug 17 01:52:36 JST 2017
Total : 1192 (860) in this page
000875012.b3lyp_6-31g(d).inp

000875012.b3lyp_6-31g(d).qchem.inp (generated)

000875012.b3lyp_6-31g(d).gjf (generated)

000875012.b3lyp_6-31g(d).firefly.inp (generated)

000875012.b3lyp_6-31g(d).smash.inp (generated)

000875012.b3lyp_6-31g(d).nwchem.inp (generated) 000875012.b3lyp_6-31g(d).log.xz 000875012.td-b3lyp_6-31g+(d).inp 000875012.td-b3lyp_6-31g+(d).log.xz

000875012.td-b3lyp_6-31+g(d).qchem.inp (generated)

000875012.td-b3lyp_6-31+g(d).gjf (generated)

000875012.td-b3lyp_6-31+g(d).firefly.inp (generated)

000875012.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000875012.mol 000875012.PUBCHEM 000875012.mol (via Jmol)
000875015.b3lyp_6-31g(d).inp

000875015.b3lyp_6-31g(d).qchem.inp (generated)

000875015.b3lyp_6-31g(d).gjf (generated)

000875015.b3lyp_6-31g(d).firefly.inp (generated)

000875015.b3lyp_6-31g(d).smash.inp (generated)

000875015.b3lyp_6-31g(d).nwchem.inp (generated) 000875015.b3lyp_6-31g(d).log.xz 000875015.td-b3lyp_6-31g+(d).inp 000875015.td-b3lyp_6-31g+(d).log.xz

000875015.td-b3lyp_6-31+g(d).qchem.inp (generated)

000875015.td-b3lyp_6-31+g(d).gjf (generated)

000875015.td-b3lyp_6-31+g(d).firefly.inp (generated)

000875015.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000875015.mol 000875015.PUBCHEM 000875015.mol (via Jmol)
000875080.b3lyp_6-31g(d).inp

000875080.b3lyp_6-31g(d).qchem.inp (generated)

000875080.b3lyp_6-31g(d).gjf (generated)

000875080.b3lyp_6-31g(d).firefly.inp (generated)

000875080.b3lyp_6-31g(d).smash.inp (generated)

000875080.b3lyp_6-31g(d).nwchem.inp (generated) 000875080.b3lyp_6-31g(d).log.xz 000875080.td-b3lyp_6-31g+(d).inp 000875080.td-b3lyp_6-31g+(d).log.xz

000875080.td-b3lyp_6-31+g(d).qchem.inp (generated)

000875080.td-b3lyp_6-31+g(d).gjf (generated)

000875080.td-b3lyp_6-31+g(d).firefly.inp (generated)

000875080.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000875080.mol 000875080.PUBCHEM 000875080.mol (via Jmol)
000875094.b3lyp_6-31g(d).inp

000875094.b3lyp_6-31g(d).qchem.inp (generated)

000875094.b3lyp_6-31g(d).gjf (generated)

000875094.b3lyp_6-31g(d).firefly.inp (generated)

000875094.b3lyp_6-31g(d).smash.inp (generated)

000875094.b3lyp_6-31g(d).nwchem.inp (generated) 000875094.b3lyp_6-31g(d).log.xz 000875094.mol 000875094.PUBCHEM 000875094.mol (via Jmol)
000875095.b3lyp_6-31g(d).inp

000875095.b3lyp_6-31g(d).qchem.inp (generated)

000875095.b3lyp_6-31g(d).gjf (generated)

000875095.b3lyp_6-31g(d).firefly.inp (generated)

000875095.b3lyp_6-31g(d).smash.inp (generated)

000875095.b3lyp_6-31g(d).nwchem.inp (generated) 000875095.b3lyp_6-31g(d).log.xz 000875095.td-b3lyp_6-31g+(d).inp 000875095.td-b3lyp_6-31g+(d).log.xz

000875095.td-b3lyp_6-31+g(d).qchem.inp (generated)

000875095.td-b3lyp_6-31+g(d).gjf (generated)

000875095.td-b3lyp_6-31+g(d).firefly.inp (generated)

000875095.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000875095.mol 000875095.PUBCHEM 000875095.mol (via Jmol)
000875112.b3lyp_6-31g(d).inp

000875112.b3lyp_6-31g(d).qchem.inp (generated)

000875112.b3lyp_6-31g(d).gjf (generated)

000875112.b3lyp_6-31g(d).firefly.inp (generated)

000875112.b3lyp_6-31g(d).smash.inp (generated)

000875112.b3lyp_6-31g(d).nwchem.inp (generated) 000875112.b3lyp_6-31g(d).log.xz 000875112.mol 000875112.PUBCHEM 000875112.mol (via Jmol)
000875164.b3lyp_6-31g(d).inp

000875164.b3lyp_6-31g(d).qchem.inp (generated)

000875164.b3lyp_6-31g(d).gjf (generated)

000875164.b3lyp_6-31g(d).firefly.inp (generated)

000875164.b3lyp_6-31g(d).smash.inp (generated)

000875164.b3lyp_6-31g(d).nwchem.inp (generated) 000875164.b3lyp_6-31g(d).log.xz 000875164.mol 000875164.PUBCHEM 000875164.mol (via Jmol)
000875190.b3lyp_6-31g(d).inp

000875190.b3lyp_6-31g(d).qchem.inp (generated)

000875190.b3lyp_6-31g(d).gjf (generated)

000875190.b3lyp_6-31g(d).firefly.inp (generated)

000875190.b3lyp_6-31g(d).smash.inp (generated)

000875190.b3lyp_6-31g(d).nwchem.inp (generated) 000875190.b3lyp_6-31g(d).log.xz 000875190.td-b3lyp_6-31g+(d).inp 000875190.td-b3lyp_6-31g+(d).log.xz

000875190.td-b3lyp_6-31+g(d).qchem.inp (generated)

000875190.td-b3lyp_6-31+g(d).gjf (generated)

000875190.td-b3lyp_6-31+g(d).firefly.inp (generated)

000875190.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000875190.mol 000875190.PUBCHEM 000875190.mol (via Jmol)
000875202.b3lyp_6-31g(d).inp

000875202.b3lyp_6-31g(d).qchem.inp (generated)

000875202.b3lyp_6-31g(d).gjf (generated)

000875202.b3lyp_6-31g(d).firefly.inp (generated)

000875202.b3lyp_6-31g(d).smash.inp (generated)

000875202.b3lyp_6-31g(d).nwchem.inp (generated) 000875202.b3lyp_6-31g(d).log.xz 000875202.td-b3lyp_6-31g+(d).inp 000875202.td-b3lyp_6-31g+(d).log.xz

000875202.td-b3lyp_6-31+g(d).qchem.inp (generated)

000875202.td-b3lyp_6-31+g(d).gjf (generated)

000875202.td-b3lyp_6-31+g(d).firefly.inp (generated)

000875202.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000875202.mol 000875202.PUBCHEM 000875202.mol (via Jmol)
000875261.b3lyp_6-31g(d).inp

000875261.b3lyp_6-31g(d).qchem.inp (generated)

000875261.b3lyp_6-31g(d).gjf (generated)

000875261.b3lyp_6-31g(d).firefly.inp (generated)

000875261.b3lyp_6-31g(d).smash.inp (generated)

000875261.b3lyp_6-31g(d).nwchem.inp (generated) 000875261.b3lyp_6-31g(d).log.xz 000875261.td-b3lyp_6-31g+(d).inp 000875261.td-b3lyp_6-31g+(d).log.xz

000875261.td-b3lyp_6-31+g(d).qchem.inp (generated)

000875261.td-b3lyp_6-31+g(d).gjf (generated)

000875261.td-b3lyp_6-31+g(d).firefly.inp (generated)

000875261.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000875261.mol 000875261.PUBCHEM 000875261.mol (via Jmol)
000875308.b3lyp_6-31g(d).inp

000875308.b3lyp_6-31g(d).qchem.inp (generated)

000875308.b3lyp_6-31g(d).gjf (generated)

000875308.b3lyp_6-31g(d).firefly.inp (generated)

000875308.b3lyp_6-31g(d).smash.inp (generated)

000875308.b3lyp_6-31g(d).nwchem.inp (generated) 000875308.b3lyp_6-31g(d).log.xz 000875308.mol 000875308.PUBCHEM 000875308.mol (via Jmol)
000875313.b3lyp_6-31g(d).inp

000875313.b3lyp_6-31g(d).qchem.inp (generated)

000875313.b3lyp_6-31g(d).gjf (generated)

000875313.b3lyp_6-31g(d).firefly.inp (generated)

000875313.b3lyp_6-31g(d).smash.inp (generated)

000875313.b3lyp_6-31g(d).nwchem.inp (generated) 000875313.b3lyp_6-31g(d).log.xz 000875313.td-b3lyp_6-31g+(d).inp 000875313.td-b3lyp_6-31g+(d).log.xz

000875313.td-b3lyp_6-31+g(d).qchem.inp (generated)

000875313.td-b3lyp_6-31+g(d).gjf (generated)

000875313.td-b3lyp_6-31+g(d).firefly.inp (generated)

000875313.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000875313.mol 000875313.PUBCHEM 000875313.mol (via Jmol)
000875314.b3lyp_6-31g(d).inp

000875314.b3lyp_6-31g(d).qchem.inp (generated)

000875314.b3lyp_6-31g(d).gjf (generated)

000875314.b3lyp_6-31g(d).firefly.inp (generated)

000875314.b3lyp_6-31g(d).smash.inp (generated)

000875314.b3lyp_6-31g(d).nwchem.inp (generated) 000875314.b3lyp_6-31g(d).log.xz 000875314.td-b3lyp_6-31g+(d).inp 000875314.td-b3lyp_6-31g+(d).log.xz

000875314.td-b3lyp_6-31+g(d).qchem.inp (generated)

000875314.td-b3lyp_6-31+g(d).gjf (generated)

000875314.td-b3lyp_6-31+g(d).firefly.inp (generated)

000875314.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000875314.mol 000875314.PUBCHEM 000875314.mol (via Jmol)
000875324.b3lyp_6-31g(d).inp

000875324.b3lyp_6-31g(d).qchem.inp (generated)

000875324.b3lyp_6-31g(d).gjf (generated)

000875324.b3lyp_6-31g(d).firefly.inp (generated)

000875324.b3lyp_6-31g(d).smash.inp (generated)

000875324.b3lyp_6-31g(d).nwchem.inp (generated) 000875324.b3lyp_6-31g(d).log.xz 000875324.td-b3lyp_6-31g+(d).inp 000875324.td-b3lyp_6-31g+(d).log.xz

000875324.td-b3lyp_6-31+g(d).qchem.inp (generated)

000875324.td-b3lyp_6-31+g(d).gjf (generated)

000875324.td-b3lyp_6-31+g(d).firefly.inp (generated)

000875324.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000875324.mol 000875324.PUBCHEM 000875324.mol (via Jmol)
000875353.b3lyp_6-31g(d).inp

000875353.b3lyp_6-31g(d).qchem.inp (generated)

000875353.b3lyp_6-31g(d).gjf (generated)

000875353.b3lyp_6-31g(d).firefly.inp (generated)

000875353.b3lyp_6-31g(d).smash.inp (generated)

000875353.b3lyp_6-31g(d).nwchem.inp (generated) 000875353.b3lyp_6-31g(d).log.xz 000875353.td-b3lyp_6-31g+(d).inp 000875353.td-b3lyp_6-31g+(d).log.xz

000875353.td-b3lyp_6-31+g(d).qchem.inp (generated)

000875353.td-b3lyp_6-31+g(d).gjf (generated)

000875353.td-b3lyp_6-31+g(d).firefly.inp (generated)

000875353.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000875353.mol 000875353.PUBCHEM 000875353.mol (via Jmol)
000875360.b3lyp_6-31g(d).inp

000875360.b3lyp_6-31g(d).qchem.inp (generated)

000875360.b3lyp_6-31g(d).gjf (generated)

000875360.b3lyp_6-31g(d).firefly.inp (generated)

000875360.b3lyp_6-31g(d).smash.inp (generated)

000875360.b3lyp_6-31g(d).nwchem.inp (generated) 000875360.b3lyp_6-31g(d).log.xz 000875360.mol 000875360.PUBCHEM 000875360.mol (via Jmol)
000875386.b3lyp_6-31g(d).inp

000875386.b3lyp_6-31g(d).qchem.inp (generated)

000875386.b3lyp_6-31g(d).gjf (generated)

000875386.b3lyp_6-31g(d).firefly.inp (generated)

000875386.b3lyp_6-31g(d).smash.inp (generated)

000875386.b3lyp_6-31g(d).nwchem.inp (generated) 000875386.b3lyp_6-31g(d).log.xz 000875386.mol 000875386.PUBCHEM 000875386.mol (via Jmol)
000875389.b3lyp_6-31g(d).inp

000875389.b3lyp_6-31g(d).qchem.inp (generated)

000875389.b3lyp_6-31g(d).gjf (generated)

000875389.b3lyp_6-31g(d).firefly.inp (generated)

000875389.b3lyp_6-31g(d).smash.inp (generated)

000875389.b3lyp_6-31g(d).nwchem.inp (generated) 000875389.b3lyp_6-31g(d).log.xz 000875389.mol 000875389.PUBCHEM 000875389.mol (via Jmol)
000875417.b3lyp_6-31g(d).inp

000875417.b3lyp_6-31g(d).qchem.inp (generated)

000875417.b3lyp_6-31g(d).gjf (generated)

000875417.b3lyp_6-31g(d).firefly.inp (generated)

000875417.b3lyp_6-31g(d).smash.inp (generated)

000875417.b3lyp_6-31g(d).nwchem.inp (generated) 000875417.b3lyp_6-31g(d).log.xz 000875417.mol 000875417.PUBCHEM 000875417.mol (via Jmol)
000875421.b3lyp_6-31g(d).inp

000875421.b3lyp_6-31g(d).qchem.inp (generated)

000875421.b3lyp_6-31g(d).gjf (generated)

000875421.b3lyp_6-31g(d).firefly.inp (generated)

000875421.b3lyp_6-31g(d).smash.inp (generated)

000875421.b3lyp_6-31g(d).nwchem.inp (generated) 000875421.b3lyp_6-31g(d).log.xz 000875421.td-b3lyp_6-31g+(d).inp 000875421.td-b3lyp_6-31g+(d).log.xz

000875421.td-b3lyp_6-31+g(d).qchem.inp (generated)

000875421.td-b3lyp_6-31+g(d).gjf (generated)

000875421.td-b3lyp_6-31+g(d).firefly.inp (generated)

000875421.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000875421.mol 000875421.PUBCHEM 000875421.mol (via Jmol)
000875426.b3lyp_6-31g(d).inp

000875426.b3lyp_6-31g(d).qchem.inp (generated)

000875426.b3lyp_6-31g(d).gjf (generated)

000875426.b3lyp_6-31g(d).firefly.inp (generated)

000875426.b3lyp_6-31g(d).smash.inp (generated)

000875426.b3lyp_6-31g(d).nwchem.inp (generated) 000875426.b3lyp_6-31g(d).log.xz 000875426.td-b3lyp_6-31g+(d).inp 000875426.td-b3lyp_6-31g+(d).log.xz

000875426.td-b3lyp_6-31+g(d).qchem.inp (generated)

000875426.td-b3lyp_6-31+g(d).gjf (generated)

000875426.td-b3lyp_6-31+g(d).firefly.inp (generated)

000875426.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000875426.mol 000875426.PUBCHEM 000875426.mol (via Jmol)
000875468.b3lyp_6-31g(d).inp

000875468.b3lyp_6-31g(d).qchem.inp (generated)

000875468.b3lyp_6-31g(d).gjf (generated)

000875468.b3lyp_6-31g(d).firefly.inp (generated)

000875468.b3lyp_6-31g(d).smash.inp (generated)

000875468.b3lyp_6-31g(d).nwchem.inp (generated) 000875468.b3lyp_6-31g(d).log.xz 000875468.td-b3lyp_6-31g+(d).inp 000875468.td-b3lyp_6-31g+(d).log.xz

000875468.td-b3lyp_6-31+g(d).qchem.inp (generated)

000875468.td-b3lyp_6-31+g(d).gjf (generated)

000875468.td-b3lyp_6-31+g(d).firefly.inp (generated)

000875468.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000875468.mol 000875468.PUBCHEM 000875468.mol (via Jmol)
000875469.b3lyp_6-31g(d).inp

000875469.b3lyp_6-31g(d).qchem.inp (generated)

000875469.b3lyp_6-31g(d).gjf (generated)

000875469.b3lyp_6-31g(d).firefly.inp (generated)

000875469.b3lyp_6-31g(d).smash.inp (generated)

000875469.b3lyp_6-31g(d).nwchem.inp (generated) 000875469.b3lyp_6-31g(d).log.xz 000875469.td-b3lyp_6-31g+(d).inp 000875469.td-b3lyp_6-31g+(d).log.xz

000875469.td-b3lyp_6-31+g(d).qchem.inp (generated)

000875469.td-b3lyp_6-31+g(d).gjf (generated)

000875469.td-b3lyp_6-31+g(d).firefly.inp (generated)

000875469.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000875469.mol 000875469.PUBCHEM 000875469.mol (via Jmol)
000875487.b3lyp_6-31g(d).inp

000875487.b3lyp_6-31g(d).qchem.inp (generated)

000875487.b3lyp_6-31g(d).gjf (generated)

000875487.b3lyp_6-31g(d).firefly.inp (generated)

000875487.b3lyp_6-31g(d).smash.inp (generated)

000875487.b3lyp_6-31g(d).nwchem.inp (generated) 000875487.b3lyp_6-31g(d).log.xz 000875487.mol 000875487.PUBCHEM 000875487.mol (via Jmol)
000875540.b3lyp_6-31g(d).inp

000875540.b3lyp_6-31g(d).qchem.inp (generated)

000875540.b3lyp_6-31g(d).gjf (generated)

000875540.b3lyp_6-31g(d).firefly.inp (generated)

000875540.b3lyp_6-31g(d).smash.inp (generated)

000875540.b3lyp_6-31g(d).nwchem.inp (generated) 000875540.b3lyp_6-31g(d).log.xz 000875540.td-b3lyp_6-31g+(d).inp 000875540.td-b3lyp_6-31g+(d).log.xz

000875540.td-b3lyp_6-31+g(d).qchem.inp (generated)

000875540.td-b3lyp_6-31+g(d).gjf (generated)

000875540.td-b3lyp_6-31+g(d).firefly.inp (generated)

000875540.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000875540.mol 000875540.PUBCHEM 000875540.mol (via Jmol)
000875559.b3lyp_6-31g(d).inp

000875559.b3lyp_6-31g(d).qchem.inp (generated)

000875559.b3lyp_6-31g(d).gjf (generated)

000875559.b3lyp_6-31g(d).firefly.inp (generated)

000875559.b3lyp_6-31g(d).smash.inp (generated)

000875559.b3lyp_6-31g(d).nwchem.inp (generated) 000875559.b3lyp_6-31g(d).log.xz 000875559.mol 000875559.PUBCHEM 000875559.mol (via Jmol)
000875586.b3lyp_6-31g(d).inp

000875586.b3lyp_6-31g(d).qchem.inp (generated)

000875586.b3lyp_6-31g(d).gjf (generated)

000875586.b3lyp_6-31g(d).firefly.inp (generated)

000875586.b3lyp_6-31g(d).smash.inp (generated)

000875586.b3lyp_6-31g(d).nwchem.inp (generated) 000875586.b3lyp_6-31g(d).log.xz 000875586.td-b3lyp_6-31g+(d).inp 000875586.td-b3lyp_6-31g+(d).log.xz

000875586.td-b3lyp_6-31+g(d).qchem.inp (generated)

000875586.td-b3lyp_6-31+g(d).gjf (generated)

000875586.td-b3lyp_6-31+g(d).firefly.inp (generated)

000875586.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000875586.mol 000875586.PUBCHEM 000875586.mol (via Jmol)
000875587.b3lyp_6-31g(d).inp

000875587.b3lyp_6-31g(d).qchem.inp (generated)

000875587.b3lyp_6-31g(d).gjf (generated)

000875587.b3lyp_6-31g(d).firefly.inp (generated)

000875587.b3lyp_6-31g(d).smash.inp (generated)

000875587.b3lyp_6-31g(d).nwchem.inp (generated) 000875587.b3lyp_6-31g(d).log.xz 000875587.td-b3lyp_6-31g+(d).inp 000875587.td-b3lyp_6-31g+(d).log.xz

000875587.td-b3lyp_6-31+g(d).qchem.inp (generated)

000875587.td-b3lyp_6-31+g(d).gjf (generated)

000875587.td-b3lyp_6-31+g(d).firefly.inp (generated)

000875587.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000875587.mol 000875587.PUBCHEM 000875587.mol (via Jmol)
000875610.b3lyp_6-31g(d).inp

000875610.b3lyp_6-31g(d).qchem.inp (generated)

000875610.b3lyp_6-31g(d).gjf (generated)

000875610.b3lyp_6-31g(d).firefly.inp (generated)

000875610.b3lyp_6-31g(d).smash.inp (generated)

000875610.b3lyp_6-31g(d).nwchem.inp (generated) 000875610.b3lyp_6-31g(d).log.xz 000875610.td-b3lyp_6-31g+(d).inp 000875610.td-b3lyp_6-31g+(d).log.xz

000875610.td-b3lyp_6-31+g(d).qchem.inp (generated)

000875610.td-b3lyp_6-31+g(d).gjf (generated)

000875610.td-b3lyp_6-31+g(d).firefly.inp (generated)

000875610.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000875610.mol 000875610.PUBCHEM 000875610.mol (via Jmol)
000875611.b3lyp_6-31g(d).inp

000875611.b3lyp_6-31g(d).qchem.inp (generated)

000875611.b3lyp_6-31g(d).gjf (generated)

000875611.b3lyp_6-31g(d).firefly.inp (generated)

000875611.b3lyp_6-31g(d).smash.inp (generated)

000875611.b3lyp_6-31g(d).nwchem.inp (generated) 000875611.b3lyp_6-31g(d).log.xz 000875611.td-b3lyp_6-31g+(d).inp 000875611.td-b3lyp_6-31g+(d).log.xz

000875611.td-b3lyp_6-31+g(d).qchem.inp (generated)

000875611.td-b3lyp_6-31+g(d).gjf (generated)

000875611.td-b3lyp_6-31+g(d).firefly.inp (generated)

000875611.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000875611.mol 000875611.PUBCHEM 000875611.mol (via Jmol)
000875677.b3lyp_6-31g(d).inp

000875677.b3lyp_6-31g(d).qchem.inp (generated)

000875677.b3lyp_6-31g(d).gjf (generated)

000875677.b3lyp_6-31g(d).firefly.inp (generated)

000875677.b3lyp_6-31g(d).smash.inp (generated)

000875677.b3lyp_6-31g(d).nwchem.inp (generated) 000875677.b3lyp_6-31g(d).log.xz 000875677.td-b3lyp_6-31g+(d).inp 000875677.td-b3lyp_6-31g+(d).log.xz

000875677.td-b3lyp_6-31+g(d).qchem.inp (generated)

000875677.td-b3lyp_6-31+g(d).gjf (generated)

000875677.td-b3lyp_6-31+g(d).firefly.inp (generated)

000875677.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000875677.mol 000875677.PUBCHEM 000875677.mol (via Jmol)
000875678.b3lyp_6-31g(d).inp

000875678.b3lyp_6-31g(d).qchem.inp (generated)

000875678.b3lyp_6-31g(d).gjf (generated)

000875678.b3lyp_6-31g(d).firefly.inp (generated)

000875678.b3lyp_6-31g(d).smash.inp (generated)

000875678.b3lyp_6-31g(d).nwchem.inp (generated) 000875678.b3lyp_6-31g(d).log.xz 000875678.td-b3lyp_6-31g+(d).inp 000875678.td-b3lyp_6-31g+(d).log.xz

000875678.td-b3lyp_6-31+g(d).qchem.inp (generated)

000875678.td-b3lyp_6-31+g(d).gjf (generated)

000875678.td-b3lyp_6-31+g(d).firefly.inp (generated)

000875678.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000875678.mol 000875678.PUBCHEM 000875678.mol (via Jmol)
000875732.b3lyp_6-31g(d).inp

000875732.b3lyp_6-31g(d).qchem.inp (generated)

000875732.b3lyp_6-31g(d).gjf (generated)

000875732.b3lyp_6-31g(d).firefly.inp (generated)

000875732.b3lyp_6-31g(d).smash.inp (generated)

000875732.b3lyp_6-31g(d).nwchem.inp (generated) 000875732.b3lyp_6-31g(d).log.xz 000875732.td-b3lyp_6-31g+(d).inp 000875732.td-b3lyp_6-31g+(d).log.xz

000875732.td-b3lyp_6-31+g(d).qchem.inp (generated)

000875732.td-b3lyp_6-31+g(d).gjf (generated)

000875732.td-b3lyp_6-31+g(d).firefly.inp (generated)

000875732.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000875732.mol 000875732.PUBCHEM 000875732.mol (via Jmol)
000875735.b3lyp_6-31g(d).inp

000875735.b3lyp_6-31g(d).qchem.inp (generated)

000875735.b3lyp_6-31g(d).gjf (generated)

000875735.b3lyp_6-31g(d).firefly.inp (generated)

000875735.b3lyp_6-31g(d).smash.inp (generated)

000875735.b3lyp_6-31g(d).nwchem.inp (generated) 000875735.b3lyp_6-31g(d).log.xz 000875735.td-b3lyp_6-31g+(d).inp 000875735.td-b3lyp_6-31g+(d).log.xz

000875735.td-b3lyp_6-31+g(d).qchem.inp (generated)

000875735.td-b3lyp_6-31+g(d).gjf (generated)

000875735.td-b3lyp_6-31+g(d).firefly.inp (generated)

000875735.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000875735.mol 000875735.PUBCHEM 000875735.mol (via Jmol)
000875752.b3lyp_6-31g(d).inp

000875752.b3lyp_6-31g(d).qchem.inp (generated)

000875752.b3lyp_6-31g(d).gjf (generated)

000875752.b3lyp_6-31g(d).firefly.inp (generated)

000875752.b3lyp_6-31g(d).smash.inp (generated)

000875752.b3lyp_6-31g(d).nwchem.inp (generated) 000875752.b3lyp_6-31g(d).log.xz 000875752.td-b3lyp_6-31g+(d).inp 000875752.td-b3lyp_6-31g+(d).log.xz

000875752.td-b3lyp_6-31+g(d).qchem.inp (generated)

000875752.td-b3lyp_6-31+g(d).gjf (generated)

000875752.td-b3lyp_6-31+g(d).firefly.inp (generated)

000875752.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000875752.mol 000875752.PUBCHEM 000875752.mol (via Jmol)
000875753.b3lyp_6-31g(d).inp

000875753.b3lyp_6-31g(d).qchem.inp (generated)

000875753.b3lyp_6-31g(d).gjf (generated)

000875753.b3lyp_6-31g(d).firefly.inp (generated)

000875753.b3lyp_6-31g(d).smash.inp (generated)

000875753.b3lyp_6-31g(d).nwchem.inp (generated) 000875753.b3lyp_6-31g(d).log.xz 000875753.td-b3lyp_6-31g+(d).inp 000875753.td-b3lyp_6-31g+(d).log.xz

000875753.td-b3lyp_6-31+g(d).qchem.inp (generated)

000875753.td-b3lyp_6-31+g(d).gjf (generated)

000875753.td-b3lyp_6-31+g(d).firefly.inp (generated)

000875753.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000875753.mol 000875753.PUBCHEM 000875753.mol (via Jmol)
000875785.b3lyp_6-31g(d).inp

000875785.b3lyp_6-31g(d).qchem.inp (generated)

000875785.b3lyp_6-31g(d).gjf (generated)

000875785.b3lyp_6-31g(d).firefly.inp (generated)

000875785.b3lyp_6-31g(d).smash.inp (generated)

000875785.b3lyp_6-31g(d).nwchem.inp (generated) 000875785.b3lyp_6-31g(d).log.xz 000875785.td-b3lyp_6-31g+(d).inp 000875785.td-b3lyp_6-31g+(d).log.xz

000875785.td-b3lyp_6-31+g(d).qchem.inp (generated)

000875785.td-b3lyp_6-31+g(d).gjf (generated)

000875785.td-b3lyp_6-31+g(d).firefly.inp (generated)

000875785.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000875785.mol 000875785.PUBCHEM 000875785.mol (via Jmol)
000875786.b3lyp_6-31g(d).inp

000875786.b3lyp_6-31g(d).qchem.inp (generated)

000875786.b3lyp_6-31g(d).gjf (generated)

000875786.b3lyp_6-31g(d).firefly.inp (generated)

000875786.b3lyp_6-31g(d).smash.inp (generated)

000875786.b3lyp_6-31g(d).nwchem.inp (generated) 000875786.b3lyp_6-31g(d).log.xz 000875786.td-b3lyp_6-31g+(d).inp 000875786.td-b3lyp_6-31g+(d).log.xz

000875786.td-b3lyp_6-31+g(d).qchem.inp (generated)

000875786.td-b3lyp_6-31+g(d).gjf (generated)

000875786.td-b3lyp_6-31+g(d).firefly.inp (generated)

000875786.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000875786.mol 000875786.PUBCHEM 000875786.mol (via Jmol)
000875788.b3lyp_6-31g(d).inp

000875788.b3lyp_6-31g(d).qchem.inp (generated)

000875788.b3lyp_6-31g(d).gjf (generated)

000875788.b3lyp_6-31g(d).firefly.inp (generated)

000875788.b3lyp_6-31g(d).smash.inp (generated)

000875788.b3lyp_6-31g(d).nwchem.inp (generated) 000875788.b3lyp_6-31g(d).log.xz 000875788.mol 000875788.PUBCHEM 000875788.mol (via Jmol)
000875789.b3lyp_6-31g(d).inp

000875789.b3lyp_6-31g(d).qchem.inp (generated)

000875789.b3lyp_6-31g(d).gjf (generated)

000875789.b3lyp_6-31g(d).firefly.inp (generated)

000875789.b3lyp_6-31g(d).smash.inp (generated)

000875789.b3lyp_6-31g(d).nwchem.inp (generated) 000875789.b3lyp_6-31g(d).log.xz 000875789.mol 000875789.PUBCHEM 000875789.mol (via Jmol)
000875790.b3lyp_6-31g(d).inp

000875790.b3lyp_6-31g(d).qchem.inp (generated)

000875790.b3lyp_6-31g(d).gjf (generated)

000875790.b3lyp_6-31g(d).firefly.inp (generated)

000875790.b3lyp_6-31g(d).smash.inp (generated)

000875790.b3lyp_6-31g(d).nwchem.inp (generated) 000875790.b3lyp_6-31g(d).log.xz 000875790.mol 000875790.PUBCHEM 000875790.mol (via Jmol)
000875793.b3lyp_6-31g(d).inp

000875793.b3lyp_6-31g(d).qchem.inp (generated)

000875793.b3lyp_6-31g(d).gjf (generated)

000875793.b3lyp_6-31g(d).firefly.inp (generated)

000875793.b3lyp_6-31g(d).smash.inp (generated)

000875793.b3lyp_6-31g(d).nwchem.inp (generated) 000875793.b3lyp_6-31g(d).log.xz 000875793.td-b3lyp_6-31g+(d).inp 000875793.td-b3lyp_6-31g+(d).log.xz

000875793.td-b3lyp_6-31+g(d).qchem.inp (generated)

000875793.td-b3lyp_6-31+g(d).gjf (generated)

000875793.td-b3lyp_6-31+g(d).firefly.inp (generated)

000875793.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000875793.mol 000875793.PUBCHEM 000875793.mol (via Jmol)
000875794.b3lyp_6-31g(d).inp

000875794.b3lyp_6-31g(d).qchem.inp (generated)

000875794.b3lyp_6-31g(d).gjf (generated)

000875794.b3lyp_6-31g(d).firefly.inp (generated)

000875794.b3lyp_6-31g(d).smash.inp (generated)

000875794.b3lyp_6-31g(d).nwchem.inp (generated) 000875794.b3lyp_6-31g(d).log.xz 000875794.td-b3lyp_6-31g+(d).inp 000875794.td-b3lyp_6-31g+(d).log.xz

000875794.td-b3lyp_6-31+g(d).qchem.inp (generated)

000875794.td-b3lyp_6-31+g(d).gjf (generated)

000875794.td-b3lyp_6-31+g(d).firefly.inp (generated)

000875794.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000875794.mol 000875794.PUBCHEM 000875794.mol (via Jmol)
000875822.b3lyp_6-31g(d).inp

000875822.b3lyp_6-31g(d).qchem.inp (generated)

000875822.b3lyp_6-31g(d).gjf (generated)

000875822.b3lyp_6-31g(d).firefly.inp (generated)

000875822.b3lyp_6-31g(d).smash.inp (generated)

000875822.b3lyp_6-31g(d).nwchem.inp (generated) 000875822.b3lyp_6-31g(d).log.xz 000875822.mol 000875822.PUBCHEM 000875822.mol (via Jmol)
000875833.b3lyp_6-31g(d).inp

000875833.b3lyp_6-31g(d).qchem.inp (generated)

000875833.b3lyp_6-31g(d).gjf (generated)

000875833.b3lyp_6-31g(d).firefly.inp (generated)

000875833.b3lyp_6-31g(d).smash.inp (generated)

000875833.b3lyp_6-31g(d).nwchem.inp (generated) 000875833.b3lyp_6-31g(d).log.xz 000875833.td-b3lyp_6-31g+(d).inp 000875833.td-b3lyp_6-31g+(d).log.xz

000875833.td-b3lyp_6-31+g(d).qchem.inp (generated)

000875833.td-b3lyp_6-31+g(d).gjf (generated)

000875833.td-b3lyp_6-31+g(d).firefly.inp (generated)

000875833.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000875833.mol 000875833.PUBCHEM 000875833.mol (via Jmol)
000875861.b3lyp_6-31g(d).inp

000875861.b3lyp_6-31g(d).qchem.inp (generated)

000875861.b3lyp_6-31g(d).gjf (generated)

000875861.b3lyp_6-31g(d).firefly.inp (generated)

000875861.b3lyp_6-31g(d).smash.inp (generated)

000875861.b3lyp_6-31g(d).nwchem.inp (generated) 000875861.b3lyp_6-31g(d).log.xz 000875861.td-b3lyp_6-31g+(d).inp 000875861.td-b3lyp_6-31g+(d).log.xz

000875861.td-b3lyp_6-31+g(d).qchem.inp (generated)

000875861.td-b3lyp_6-31+g(d).gjf (generated)

000875861.td-b3lyp_6-31+g(d).firefly.inp (generated)

000875861.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000875861.mol 000875861.PUBCHEM 000875861.mol (via Jmol)
000875903.b3lyp_6-31g(d).inp

000875903.b3lyp_6-31g(d).qchem.inp (generated)

000875903.b3lyp_6-31g(d).gjf (generated)

000875903.b3lyp_6-31g(d).firefly.inp (generated)

000875903.b3lyp_6-31g(d).smash.inp (generated)

000875903.b3lyp_6-31g(d).nwchem.inp (generated) 000875903.b3lyp_6-31g(d).log.xz 000875903.mol 000875903.PUBCHEM 000875903.mol (via Jmol)
000875904.b3lyp_6-31g(d).inp

000875904.b3lyp_6-31g(d).qchem.inp (generated)

000875904.b3lyp_6-31g(d).gjf (generated)

000875904.b3lyp_6-31g(d).firefly.inp (generated)

000875904.b3lyp_6-31g(d).smash.inp (generated)

000875904.b3lyp_6-31g(d).nwchem.inp (generated) 000875904.b3lyp_6-31g(d).log.xz 000875904.td-b3lyp_6-31g+(d).inp 000875904.td-b3lyp_6-31g+(d).log.xz

000875904.td-b3lyp_6-31+g(d).qchem.inp (generated)

000875904.td-b3lyp_6-31+g(d).gjf (generated)

000875904.td-b3lyp_6-31+g(d).firefly.inp (generated)

000875904.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000875904.mol 000875904.PUBCHEM 000875904.mol (via Jmol)
000875924.b3lyp_6-31g(d).inp

000875924.b3lyp_6-31g(d).qchem.inp (generated)

000875924.b3lyp_6-31g(d).gjf (generated)

000875924.b3lyp_6-31g(d).firefly.inp (generated)

000875924.b3lyp_6-31g(d).smash.inp (generated)

000875924.b3lyp_6-31g(d).nwchem.inp (generated) 000875924.b3lyp_6-31g(d).log.xz 000875924.td-b3lyp_6-31g+(d).inp 000875924.td-b3lyp_6-31g+(d).log.xz

000875924.td-b3lyp_6-31+g(d).qchem.inp (generated)

000875924.td-b3lyp_6-31+g(d).gjf (generated)

000875924.td-b3lyp_6-31+g(d).firefly.inp (generated)

000875924.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000875924.mol 000875924.PUBCHEM 000875924.mol (via Jmol)
000875981.b3lyp_6-31g(d).inp

000875981.b3lyp_6-31g(d).qchem.inp (generated)

000875981.b3lyp_6-31g(d).gjf (generated)

000875981.b3lyp_6-31g(d).firefly.inp (generated)

000875981.b3lyp_6-31g(d).smash.inp (generated)

000875981.b3lyp_6-31g(d).nwchem.inp (generated) 000875981.b3lyp_6-31g(d).log.xz 000875981.td-b3lyp_6-31g+(d).inp 000875981.td-b3lyp_6-31g+(d).log.xz

000875981.td-b3lyp_6-31+g(d).qchem.inp (generated)

000875981.td-b3lyp_6-31+g(d).gjf (generated)

000875981.td-b3lyp_6-31+g(d).firefly.inp (generated)

000875981.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000875981.mol 000875981.PUBCHEM 000875981.mol (via Jmol)
000875990.b3lyp_6-31g(d).inp

000875990.b3lyp_6-31g(d).qchem.inp (generated)

000875990.b3lyp_6-31g(d).gjf (generated)

000875990.b3lyp_6-31g(d).firefly.inp (generated)

000875990.b3lyp_6-31g(d).smash.inp (generated)

000875990.b3lyp_6-31g(d).nwchem.inp (generated) 000875990.b3lyp_6-31g(d).log.xz 000875990.td-b3lyp_6-31g+(d).inp 000875990.td-b3lyp_6-31g+(d).log.xz

000875990.td-b3lyp_6-31+g(d).qchem.inp (generated)

000875990.td-b3lyp_6-31+g(d).gjf (generated)

000875990.td-b3lyp_6-31+g(d).firefly.inp (generated)

000875990.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000875990.mol 000875990.PUBCHEM 000875990.mol (via Jmol)
000876013.b3lyp_6-31g(d).inp

000876013.b3lyp_6-31g(d).qchem.inp (generated)

000876013.b3lyp_6-31g(d).gjf (generated)

000876013.b3lyp_6-31g(d).firefly.inp (generated)

000876013.b3lyp_6-31g(d).smash.inp (generated)

000876013.b3lyp_6-31g(d).nwchem.inp (generated) 000876013.b3lyp_6-31g(d).log.xz 000876013.mol 000876013.PUBCHEM 000876013.mol (via Jmol)
000876024.b3lyp_6-31g(d).inp

000876024.b3lyp_6-31g(d).qchem.inp (generated)

000876024.b3lyp_6-31g(d).gjf (generated)

000876024.b3lyp_6-31g(d).firefly.inp (generated)

000876024.b3lyp_6-31g(d).smash.inp (generated)

000876024.b3lyp_6-31g(d).nwchem.inp (generated) 000876024.b3lyp_6-31g(d).log.xz 000876024.td-b3lyp_6-31g+(d).inp 000876024.td-b3lyp_6-31g+(d).log.xz

000876024.td-b3lyp_6-31+g(d).qchem.inp (generated)

000876024.td-b3lyp_6-31+g(d).gjf (generated)

000876024.td-b3lyp_6-31+g(d).firefly.inp (generated)

000876024.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000876024.mol 000876024.PUBCHEM 000876024.mol (via Jmol)
000876063.b3lyp_6-31g(d).inp

000876063.b3lyp_6-31g(d).qchem.inp (generated)

000876063.b3lyp_6-31g(d).gjf (generated)

000876063.b3lyp_6-31g(d).firefly.inp (generated)

000876063.b3lyp_6-31g(d).smash.inp (generated)

000876063.b3lyp_6-31g(d).nwchem.inp (generated) 000876063.b3lyp_6-31g(d).log.xz 000876063.td-b3lyp_6-31g+(d).inp 000876063.td-b3lyp_6-31g+(d).log.xz

000876063.td-b3lyp_6-31+g(d).qchem.inp (generated)

000876063.td-b3lyp_6-31+g(d).gjf (generated)

000876063.td-b3lyp_6-31+g(d).firefly.inp (generated)

000876063.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000876063.mol 000876063.PUBCHEM 000876063.mol (via Jmol)
000876085.b3lyp_6-31g(d).inp

000876085.b3lyp_6-31g(d).qchem.inp (generated)

000876085.b3lyp_6-31g(d).gjf (generated)

000876085.b3lyp_6-31g(d).firefly.inp (generated)

000876085.b3lyp_6-31g(d).smash.inp (generated)

000876085.b3lyp_6-31g(d).nwchem.inp (generated) 000876085.b3lyp_6-31g(d).log.xz 000876085.td-b3lyp_6-31g+(d).inp 000876085.td-b3lyp_6-31g+(d).log.xz

000876085.td-b3lyp_6-31+g(d).qchem.inp (generated)

000876085.td-b3lyp_6-31+g(d).gjf (generated)

000876085.td-b3lyp_6-31+g(d).firefly.inp (generated)

000876085.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000876085.mol 000876085.PUBCHEM 000876085.mol (via Jmol)
000876097.b3lyp_6-31g(d).inp

000876097.b3lyp_6-31g(d).qchem.inp (generated)

000876097.b3lyp_6-31g(d).gjf (generated)

000876097.b3lyp_6-31g(d).firefly.inp (generated)

000876097.b3lyp_6-31g(d).smash.inp (generated)

000876097.b3lyp_6-31g(d).nwchem.inp (generated) 000876097.b3lyp_6-31g(d).log.xz 000876097.td-b3lyp_6-31g+(d).inp 000876097.td-b3lyp_6-31g+(d).log.xz

000876097.td-b3lyp_6-31+g(d).qchem.inp (generated)

000876097.td-b3lyp_6-31+g(d).gjf (generated)

000876097.td-b3lyp_6-31+g(d).firefly.inp (generated)

000876097.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000876097.mol 000876097.PUBCHEM 000876097.mol (via Jmol)
000876098.b3lyp_6-31g(d).inp

000876098.b3lyp_6-31g(d).qchem.inp (generated)

000876098.b3lyp_6-31g(d).gjf (generated)

000876098.b3lyp_6-31g(d).firefly.inp (generated)

000876098.b3lyp_6-31g(d).smash.inp (generated)

000876098.b3lyp_6-31g(d).nwchem.inp (generated) 000876098.b3lyp_6-31g(d).log.xz 000876098.td-b3lyp_6-31g+(d).inp 000876098.td-b3lyp_6-31g+(d).log.xz

000876098.td-b3lyp_6-31+g(d).qchem.inp (generated)

000876098.td-b3lyp_6-31+g(d).gjf (generated)

000876098.td-b3lyp_6-31+g(d).firefly.inp (generated)

000876098.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000876098.mol 000876098.PUBCHEM 000876098.mol (via Jmol)
000876101.b3lyp_6-31g(d).inp

000876101.b3lyp_6-31g(d).qchem.inp (generated)

000876101.b3lyp_6-31g(d).gjf (generated)

000876101.b3lyp_6-31g(d).firefly.inp (generated)

000876101.b3lyp_6-31g(d).smash.inp (generated)

000876101.b3lyp_6-31g(d).nwchem.inp (generated) 000876101.b3lyp_6-31g(d).log.xz 000876101.td-b3lyp_6-31g+(d).inp 000876101.td-b3lyp_6-31g+(d).log.xz

000876101.td-b3lyp_6-31+g(d).qchem.inp (generated)

000876101.td-b3lyp_6-31+g(d).gjf (generated)

000876101.td-b3lyp_6-31+g(d).firefly.inp (generated)

000876101.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000876101.mol 000876101.PUBCHEM 000876101.mol (via Jmol)
000876102.b3lyp_6-31g(d).inp

000876102.b3lyp_6-31g(d).qchem.inp (generated)

000876102.b3lyp_6-31g(d).gjf (generated)

000876102.b3lyp_6-31g(d).firefly.inp (generated)

000876102.b3lyp_6-31g(d).smash.inp (generated)

000876102.b3lyp_6-31g(d).nwchem.inp (generated) 000876102.b3lyp_6-31g(d).log.xz 000876102.td-b3lyp_6-31g+(d).inp 000876102.td-b3lyp_6-31g+(d).log.xz

000876102.td-b3lyp_6-31+g(d).qchem.inp (generated)

000876102.td-b3lyp_6-31+g(d).gjf (generated)

000876102.td-b3lyp_6-31+g(d).firefly.inp (generated)

000876102.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000876102.mol 000876102.PUBCHEM 000876102.mol (via Jmol)
000876103.b3lyp_6-31g(d).inp

000876103.b3lyp_6-31g(d).qchem.inp (generated)

000876103.b3lyp_6-31g(d).gjf (generated)

000876103.b3lyp_6-31g(d).firefly.inp (generated)

000876103.b3lyp_6-31g(d).smash.inp (generated)

000876103.b3lyp_6-31g(d).nwchem.inp (generated) 000876103.b3lyp_6-31g(d).log.xz 000876103.td-b3lyp_6-31g+(d).inp 000876103.td-b3lyp_6-31g+(d).log.xz

000876103.td-b3lyp_6-31+g(d).qchem.inp (generated)

000876103.td-b3lyp_6-31+g(d).gjf (generated)

000876103.td-b3lyp_6-31+g(d).firefly.inp (generated)

000876103.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000876103.mol 000876103.PUBCHEM 000876103.mol (via Jmol)
000876104.b3lyp_6-31g(d).inp

000876104.b3lyp_6-31g(d).qchem.inp (generated)

000876104.b3lyp_6-31g(d).gjf (generated)

000876104.b3lyp_6-31g(d).firefly.inp (generated)

000876104.b3lyp_6-31g(d).smash.inp (generated)

000876104.b3lyp_6-31g(d).nwchem.inp (generated) 000876104.b3lyp_6-31g(d).log.xz 000876104.td-b3lyp_6-31g+(d).inp 000876104.td-b3lyp_6-31g+(d).log.xz

000876104.td-b3lyp_6-31+g(d).qchem.inp (generated)

000876104.td-b3lyp_6-31+g(d).gjf (generated)

000876104.td-b3lyp_6-31+g(d).firefly.inp (generated)

000876104.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000876104.mol 000876104.PUBCHEM 000876104.mol (via Jmol)
000876105.b3lyp_6-31g(d).inp

000876105.b3lyp_6-31g(d).qchem.inp (generated)

000876105.b3lyp_6-31g(d).gjf (generated)

000876105.b3lyp_6-31g(d).firefly.inp (generated)

000876105.b3lyp_6-31g(d).smash.inp (generated)

000876105.b3lyp_6-31g(d).nwchem.inp (generated) 000876105.b3lyp_6-31g(d).log.xz 000876105.td-b3lyp_6-31g+(d).inp 000876105.td-b3lyp_6-31g+(d).log.xz

000876105.td-b3lyp_6-31+g(d).qchem.inp (generated)

000876105.td-b3lyp_6-31+g(d).gjf (generated)

000876105.td-b3lyp_6-31+g(d).firefly.inp (generated)

000876105.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000876105.mol 000876105.PUBCHEM 000876105.mol (via Jmol)
000876158.b3lyp_6-31g(d).inp

000876158.b3lyp_6-31g(d).qchem.inp (generated)

000876158.b3lyp_6-31g(d).gjf (generated)

000876158.b3lyp_6-31g(d).firefly.inp (generated)

000876158.b3lyp_6-31g(d).smash.inp (generated)

000876158.b3lyp_6-31g(d).nwchem.inp (generated) 000876158.b3lyp_6-31g(d).log.xz 000876158.mol 000876158.PUBCHEM 000876158.mol (via Jmol)
000876160.b3lyp_6-31g(d).inp

000876160.b3lyp_6-31g(d).qchem.inp (generated)

000876160.b3lyp_6-31g(d).gjf (generated)

000876160.b3lyp_6-31g(d).firefly.inp (generated)

000876160.b3lyp_6-31g(d).smash.inp (generated)

000876160.b3lyp_6-31g(d).nwchem.inp (generated) 000876160.b3lyp_6-31g(d).log.xz 000876160.td-b3lyp_6-31g+(d).inp 000876160.td-b3lyp_6-31g+(d).log.xz

000876160.td-b3lyp_6-31+g(d).qchem.inp (generated)

000876160.td-b3lyp_6-31+g(d).gjf (generated)

000876160.td-b3lyp_6-31+g(d).firefly.inp (generated)

000876160.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000876160.mol 000876160.PUBCHEM 000876160.mol (via Jmol)
000876177.b3lyp_6-31g(d).inp

000876177.b3lyp_6-31g(d).qchem.inp (generated)

000876177.b3lyp_6-31g(d).gjf (generated)

000876177.b3lyp_6-31g(d).firefly.inp (generated)

000876177.b3lyp_6-31g(d).smash.inp (generated)

000876177.b3lyp_6-31g(d).nwchem.inp (generated) 000876177.b3lyp_6-31g(d).log.xz 000876177.mol 000876177.PUBCHEM 000876177.mol (via Jmol)
000876202.b3lyp_6-31g(d).inp

000876202.b3lyp_6-31g(d).qchem.inp (generated)

000876202.b3lyp_6-31g(d).gjf (generated)

000876202.b3lyp_6-31g(d).firefly.inp (generated)

000876202.b3lyp_6-31g(d).smash.inp (generated)

000876202.b3lyp_6-31g(d).nwchem.inp (generated) 000876202.b3lyp_6-31g(d).log.xz 000876202.mol 000876202.PUBCHEM 000876202.mol (via Jmol)
000876278.b3lyp_6-31g(d).inp

000876278.b3lyp_6-31g(d).qchem.inp (generated)

000876278.b3lyp_6-31g(d).gjf (generated)

000876278.b3lyp_6-31g(d).firefly.inp (generated)

000876278.b3lyp_6-31g(d).smash.inp (generated)

000876278.b3lyp_6-31g(d).nwchem.inp (generated) 000876278.b3lyp_6-31g(d).log.xz 000876278.td-b3lyp_6-31g+(d).inp 000876278.td-b3lyp_6-31g+(d).log.xz

000876278.td-b3lyp_6-31+g(d).qchem.inp (generated)

000876278.td-b3lyp_6-31+g(d).gjf (generated)

000876278.td-b3lyp_6-31+g(d).firefly.inp (generated)

000876278.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000876278.mol 000876278.PUBCHEM 000876278.mol (via Jmol)
000876281.b3lyp_6-31g(d).inp

000876281.b3lyp_6-31g(d).qchem.inp (generated)

000876281.b3lyp_6-31g(d).gjf (generated)

000876281.b3lyp_6-31g(d).firefly.inp (generated)

000876281.b3lyp_6-31g(d).smash.inp (generated)

000876281.b3lyp_6-31g(d).nwchem.inp (generated) 000876281.b3lyp_6-31g(d).log.xz 000876281.td-b3lyp_6-31g+(d).inp 000876281.td-b3lyp_6-31g+(d).log.xz

000876281.td-b3lyp_6-31+g(d).qchem.inp (generated)

000876281.td-b3lyp_6-31+g(d).gjf (generated)

000876281.td-b3lyp_6-31+g(d).firefly.inp (generated)

000876281.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000876281.mol 000876281.PUBCHEM 000876281.mol (via Jmol)
000876282.b3lyp_6-31g(d).inp

000876282.b3lyp_6-31g(d).qchem.inp (generated)

000876282.b3lyp_6-31g(d).gjf (generated)

000876282.b3lyp_6-31g(d).firefly.inp (generated)

000876282.b3lyp_6-31g(d).smash.inp (generated)

000876282.b3lyp_6-31g(d).nwchem.inp (generated) 000876282.b3lyp_6-31g(d).log.xz 000876282.mol 000876282.PUBCHEM 000876282.mol (via Jmol)
000876291.b3lyp_6-31g(d).inp

000876291.b3lyp_6-31g(d).qchem.inp (generated)

000876291.b3lyp_6-31g(d).gjf (generated)

000876291.b3lyp_6-31g(d).firefly.inp (generated)

000876291.b3lyp_6-31g(d).smash.inp (generated)

000876291.b3lyp_6-31g(d).nwchem.inp (generated) 000876291.b3lyp_6-31g(d).log.xz 000876291.td-b3lyp_6-31g+(d).inp 000876291.td-b3lyp_6-31g+(d).log.xz

000876291.td-b3lyp_6-31+g(d).qchem.inp (generated)

000876291.td-b3lyp_6-31+g(d).gjf (generated)

000876291.td-b3lyp_6-31+g(d).firefly.inp (generated)

000876291.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000876291.mol 000876291.PUBCHEM 000876291.mol (via Jmol)
000876292.b3lyp_6-31g(d).inp

000876292.b3lyp_6-31g(d).qchem.inp (generated)

000876292.b3lyp_6-31g(d).gjf (generated)

000876292.b3lyp_6-31g(d).firefly.inp (generated)

000876292.b3lyp_6-31g(d).smash.inp (generated)

000876292.b3lyp_6-31g(d).nwchem.inp (generated) 000876292.b3lyp_6-31g(d).log.xz 000876292.td-b3lyp_6-31g+(d).inp 000876292.td-b3lyp_6-31g+(d).log.xz

000876292.td-b3lyp_6-31+g(d).qchem.inp (generated)

000876292.td-b3lyp_6-31+g(d).gjf (generated)

000876292.td-b3lyp_6-31+g(d).firefly.inp (generated)

000876292.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000876292.mol 000876292.PUBCHEM 000876292.mol (via Jmol)
000876298.b3lyp_6-31g(d).inp

000876298.b3lyp_6-31g(d).qchem.inp (generated)

000876298.b3lyp_6-31g(d).gjf (generated)

000876298.b3lyp_6-31g(d).firefly.inp (generated)

000876298.b3lyp_6-31g(d).smash.inp (generated)

000876298.b3lyp_6-31g(d).nwchem.inp (generated) 000876298.b3lyp_6-31g(d).log.xz 000876298.td-b3lyp_6-31g+(d).inp 000876298.td-b3lyp_6-31g+(d).log.xz

000876298.td-b3lyp_6-31+g(d).qchem.inp (generated)

000876298.td-b3lyp_6-31+g(d).gjf (generated)

000876298.td-b3lyp_6-31+g(d).firefly.inp (generated)

000876298.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000876298.mol 000876298.PUBCHEM 000876298.mol (via Jmol)
000876305.b3lyp_6-31g(d).inp

000876305.b3lyp_6-31g(d).qchem.inp (generated)

000876305.b3lyp_6-31g(d).gjf (generated)

000876305.b3lyp_6-31g(d).firefly.inp (generated)

000876305.b3lyp_6-31g(d).smash.inp (generated)

000876305.b3lyp_6-31g(d).nwchem.inp (generated) 000876305.b3lyp_6-31g(d).log.xz 000876305.td-b3lyp_6-31g+(d).inp 000876305.td-b3lyp_6-31g+(d).log.xz

000876305.td-b3lyp_6-31+g(d).qchem.inp (generated)

000876305.td-b3lyp_6-31+g(d).gjf (generated)

000876305.td-b3lyp_6-31+g(d).firefly.inp (generated)

000876305.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000876305.mol 000876305.PUBCHEM 000876305.mol (via Jmol)
000876317.b3lyp_6-31g(d).inp

000876317.b3lyp_6-31g(d).qchem.inp (generated)

000876317.b3lyp_6-31g(d).gjf (generated)

000876317.b3lyp_6-31g(d).firefly.inp (generated)

000876317.b3lyp_6-31g(d).smash.inp (generated)

000876317.b3lyp_6-31g(d).nwchem.inp (generated) 000876317.b3lyp_6-31g(d).log.xz 000876317.td-b3lyp_6-31g+(d).inp 000876317.td-b3lyp_6-31g+(d).log.xz

000876317.td-b3lyp_6-31+g(d).qchem.inp (generated)

000876317.td-b3lyp_6-31+g(d).gjf (generated)

000876317.td-b3lyp_6-31+g(d).firefly.inp (generated)

000876317.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000876317.mol 000876317.PUBCHEM 000876317.mol (via Jmol)
000876396.b3lyp_6-31g(d).inp

000876396.b3lyp_6-31g(d).qchem.inp (generated)

000876396.b3lyp_6-31g(d).gjf (generated)

000876396.b3lyp_6-31g(d).firefly.inp (generated)

000876396.b3lyp_6-31g(d).smash.inp (generated)

000876396.b3lyp_6-31g(d).nwchem.inp (generated) 000876396.b3lyp_6-31g(d).log.xz 000876396.td-b3lyp_6-31g+(d).inp 000876396.td-b3lyp_6-31g+(d).log.xz

000876396.td-b3lyp_6-31+g(d).qchem.inp (generated)

000876396.td-b3lyp_6-31+g(d).gjf (generated)

000876396.td-b3lyp_6-31+g(d).firefly.inp (generated)

000876396.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000876396.mol 000876396.PUBCHEM 000876396.mol (via Jmol)
000876418.b3lyp_6-31g(d).inp

000876418.b3lyp_6-31g(d).qchem.inp (generated)

000876418.b3lyp_6-31g(d).gjf (generated)

000876418.b3lyp_6-31g(d).firefly.inp (generated)

000876418.b3lyp_6-31g(d).smash.inp (generated)

000876418.b3lyp_6-31g(d).nwchem.inp (generated) 000876418.b3lyp_6-31g(d).log.xz 000876418.td-b3lyp_6-31g+(d).inp 000876418.td-b3lyp_6-31g+(d).log.xz

000876418.td-b3lyp_6-31+g(d).qchem.inp (generated)

000876418.td-b3lyp_6-31+g(d).gjf (generated)

000876418.td-b3lyp_6-31+g(d).firefly.inp (generated)

000876418.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000876418.mol 000876418.PUBCHEM 000876418.mol (via Jmol)
000876429.b3lyp_6-31g(d).inp

000876429.b3lyp_6-31g(d).qchem.inp (generated)

000876429.b3lyp_6-31g(d).gjf (generated)

000876429.b3lyp_6-31g(d).firefly.inp (generated)

000876429.b3lyp_6-31g(d).smash.inp (generated)

000876429.b3lyp_6-31g(d).nwchem.inp (generated) 000876429.b3lyp_6-31g(d).log.xz 000876429.td-b3lyp_6-31g+(d).inp 000876429.td-b3lyp_6-31g+(d).log.xz

000876429.td-b3lyp_6-31+g(d).qchem.inp (generated)

000876429.td-b3lyp_6-31+g(d).gjf (generated)

000876429.td-b3lyp_6-31+g(d).firefly.inp (generated)

000876429.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000876429.mol 000876429.PUBCHEM 000876429.mol (via Jmol)
000876445.b3lyp_6-31g(d).inp

000876445.b3lyp_6-31g(d).qchem.inp (generated)

000876445.b3lyp_6-31g(d).gjf (generated)

000876445.b3lyp_6-31g(d).firefly.inp (generated)

000876445.b3lyp_6-31g(d).smash.inp (generated)

000876445.b3lyp_6-31g(d).nwchem.inp (generated) 000876445.b3lyp_6-31g(d).log.xz 000876445.mol 000876445.PUBCHEM 000876445.mol (via Jmol)
000876446.b3lyp_6-31g(d).inp

000876446.b3lyp_6-31g(d).qchem.inp (generated)

000876446.b3lyp_6-31g(d).gjf (generated)

000876446.b3lyp_6-31g(d).firefly.inp (generated)

000876446.b3lyp_6-31g(d).smash.inp (generated)

000876446.b3lyp_6-31g(d).nwchem.inp (generated) 000876446.b3lyp_6-31g(d).log.xz 000876446.mol 000876446.PUBCHEM 000876446.mol (via Jmol)
000876469.b3lyp_6-31g(d).inp

000876469.b3lyp_6-31g(d).qchem.inp (generated)

000876469.b3lyp_6-31g(d).gjf (generated)

000876469.b3lyp_6-31g(d).firefly.inp (generated)

000876469.b3lyp_6-31g(d).smash.inp (generated)

000876469.b3lyp_6-31g(d).nwchem.inp (generated) 000876469.b3lyp_6-31g(d).log.xz 000876469.td-b3lyp_6-31g+(d).inp 000876469.td-b3lyp_6-31g+(d).log.xz

000876469.td-b3lyp_6-31+g(d).qchem.inp (generated)

000876469.td-b3lyp_6-31+g(d).gjf (generated)

000876469.td-b3lyp_6-31+g(d).firefly.inp (generated)

000876469.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000876469.mol 000876469.PUBCHEM 000876469.mol (via Jmol)
000876470.b3lyp_6-31g(d).inp

000876470.b3lyp_6-31g(d).qchem.inp (generated)

000876470.b3lyp_6-31g(d).gjf (generated)

000876470.b3lyp_6-31g(d).firefly.inp (generated)

000876470.b3lyp_6-31g(d).smash.inp (generated)

000876470.b3lyp_6-31g(d).nwchem.inp (generated) 000876470.b3lyp_6-31g(d).log.xz 000876470.td-b3lyp_6-31g+(d).inp 000876470.td-b3lyp_6-31g+(d).log.xz

000876470.td-b3lyp_6-31+g(d).qchem.inp (generated)

000876470.td-b3lyp_6-31+g(d).gjf (generated)

000876470.td-b3lyp_6-31+g(d).firefly.inp (generated)

000876470.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000876470.mol 000876470.PUBCHEM 000876470.mol (via Jmol)
000876521.b3lyp_6-31g(d).inp

000876521.b3lyp_6-31g(d).qchem.inp (generated)

000876521.b3lyp_6-31g(d).gjf (generated)

000876521.b3lyp_6-31g(d).firefly.inp (generated)

000876521.b3lyp_6-31g(d).smash.inp (generated)

000876521.b3lyp_6-31g(d).nwchem.inp (generated) 000876521.b3lyp_6-31g(d).log.xz 000876521.td-b3lyp_6-31g+(d).inp 000876521.td-b3lyp_6-31g+(d).log.xz

000876521.td-b3lyp_6-31+g(d).qchem.inp (generated)

000876521.td-b3lyp_6-31+g(d).gjf (generated)

000876521.td-b3lyp_6-31+g(d).firefly.inp (generated)

000876521.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000876521.mol 000876521.PUBCHEM 000876521.mol (via Jmol)
000876546.b3lyp_6-31g(d).inp

000876546.b3lyp_6-31g(d).qchem.inp (generated)

000876546.b3lyp_6-31g(d).gjf (generated)

000876546.b3lyp_6-31g(d).firefly.inp (generated)

000876546.b3lyp_6-31g(d).smash.inp (generated)

000876546.b3lyp_6-31g(d).nwchem.inp (generated) 000876546.b3lyp_6-31g(d).log.xz 000876546.td-b3lyp_6-31g+(d).inp 000876546.td-b3lyp_6-31g+(d).log.xz

000876546.td-b3lyp_6-31+g(d).qchem.inp (generated)

000876546.td-b3lyp_6-31+g(d).gjf (generated)

000876546.td-b3lyp_6-31+g(d).firefly.inp (generated)

000876546.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000876546.mol 000876546.PUBCHEM 000876546.mol (via Jmol)
000876547.b3lyp_6-31g(d).inp

000876547.b3lyp_6-31g(d).qchem.inp (generated)

000876547.b3lyp_6-31g(d).gjf (generated)

000876547.b3lyp_6-31g(d).firefly.inp (generated)

000876547.b3lyp_6-31g(d).smash.inp (generated)

000876547.b3lyp_6-31g(d).nwchem.inp (generated) 000876547.b3lyp_6-31g(d).log.xz 000876547.td-b3lyp_6-31g+(d).inp 000876547.td-b3lyp_6-31g+(d).log.xz

000876547.td-b3lyp_6-31+g(d).qchem.inp (generated)

000876547.td-b3lyp_6-31+g(d).gjf (generated)

000876547.td-b3lyp_6-31+g(d).firefly.inp (generated)

000876547.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000876547.mol 000876547.PUBCHEM 000876547.mol (via Jmol)
000876553.b3lyp_6-31g(d).inp

000876553.b3lyp_6-31g(d).qchem.inp (generated)

000876553.b3lyp_6-31g(d).gjf (generated)

000876553.b3lyp_6-31g(d).firefly.inp (generated)

000876553.b3lyp_6-31g(d).smash.inp (generated)

000876553.b3lyp_6-31g(d).nwchem.inp (generated) 000876553.b3lyp_6-31g(d).log.xz 000876553.td-b3lyp_6-31g+(d).inp 000876553.td-b3lyp_6-31g+(d).log.xz

000876553.td-b3lyp_6-31+g(d).qchem.inp (generated)

000876553.td-b3lyp_6-31+g(d).gjf (generated)

000876553.td-b3lyp_6-31+g(d).firefly.inp (generated)

000876553.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000876553.mol 000876553.PUBCHEM 000876553.mol (via Jmol)
000876621.b3lyp_6-31g(d).inp

000876621.b3lyp_6-31g(d).qchem.inp (generated)

000876621.b3lyp_6-31g(d).gjf (generated)

000876621.b3lyp_6-31g(d).firefly.inp (generated)

000876621.b3lyp_6-31g(d).smash.inp (generated)

000876621.b3lyp_6-31g(d).nwchem.inp (generated) 000876621.b3lyp_6-31g(d).log.xz 000876621.td-b3lyp_6-31g+(d).inp 000876621.td-b3lyp_6-31g+(d).log.xz

000876621.td-b3lyp_6-31+g(d).qchem.inp (generated)

000876621.td-b3lyp_6-31+g(d).gjf (generated)

000876621.td-b3lyp_6-31+g(d).firefly.inp (generated)

000876621.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000876621.mol 000876621.PUBCHEM 000876621.mol (via Jmol)
000876754.b3lyp_6-31g(d).inp

000876754.b3lyp_6-31g(d).qchem.inp (generated)

000876754.b3lyp_6-31g(d).gjf (generated)

000876754.b3lyp_6-31g(d).firefly.inp (generated)

000876754.b3lyp_6-31g(d).smash.inp (generated)

000876754.b3lyp_6-31g(d).nwchem.inp (generated) 000876754.b3lyp_6-31g(d).log.xz 000876754.td-b3lyp_6-31g+(d).inp 000876754.td-b3lyp_6-31g+(d).log.xz

000876754.td-b3lyp_6-31+g(d).qchem.inp (generated)

000876754.td-b3lyp_6-31+g(d).gjf (generated)

000876754.td-b3lyp_6-31+g(d).firefly.inp (generated)

000876754.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000876754.mol 000876754.PUBCHEM 000876754.mol (via Jmol)
000876843.b3lyp_6-31g(d).inp

000876843.b3lyp_6-31g(d).qchem.inp (generated)

000876843.b3lyp_6-31g(d).gjf (generated)

000876843.b3lyp_6-31g(d).firefly.inp (generated)

000876843.b3lyp_6-31g(d).smash.inp (generated)

000876843.b3lyp_6-31g(d).nwchem.inp (generated) 000876843.b3lyp_6-31g(d).log.xz 000876843.mol 000876843.PUBCHEM 000876843.mol (via Jmol)
000876860.b3lyp_6-31g(d).inp

000876860.b3lyp_6-31g(d).qchem.inp (generated)

000876860.b3lyp_6-31g(d).gjf (generated)

000876860.b3lyp_6-31g(d).firefly.inp (generated)

000876860.b3lyp_6-31g(d).smash.inp (generated)

000876860.b3lyp_6-31g(d).nwchem.inp (generated) 000876860.b3lyp_6-31g(d).log.xz 000876860.mol 000876860.PUBCHEM 000876860.mol (via Jmol)
000877114.b3lyp_6-31g(d).inp

000877114.b3lyp_6-31g(d).qchem.inp (generated)

000877114.b3lyp_6-31g(d).gjf (generated)

000877114.b3lyp_6-31g(d).firefly.inp (generated)

000877114.b3lyp_6-31g(d).smash.inp (generated)

000877114.b3lyp_6-31g(d).nwchem.inp (generated) 000877114.b3lyp_6-31g(d).log.xz 000877114.td-b3lyp_6-31g+(d).inp 000877114.td-b3lyp_6-31g+(d).log.xz

000877114.td-b3lyp_6-31+g(d).qchem.inp (generated)

000877114.td-b3lyp_6-31+g(d).gjf (generated)

000877114.td-b3lyp_6-31+g(d).firefly.inp (generated)

000877114.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000877114.mol 000877114.PUBCHEM 000877114.mol (via Jmol)
000877151.b3lyp_6-31g(d).inp

000877151.b3lyp_6-31g(d).qchem.inp (generated)

000877151.b3lyp_6-31g(d).gjf (generated)

000877151.b3lyp_6-31g(d).firefly.inp (generated)

000877151.b3lyp_6-31g(d).smash.inp (generated)

000877151.b3lyp_6-31g(d).nwchem.inp (generated) 000877151.b3lyp_6-31g(d).log.xz 000877151.mol 000877151.PUBCHEM 000877151.mol (via Jmol)
000877165.b3lyp_6-31g(d).inp

000877165.b3lyp_6-31g(d).qchem.inp (generated)

000877165.b3lyp_6-31g(d).gjf (generated)

000877165.b3lyp_6-31g(d).firefly.inp (generated)

000877165.b3lyp_6-31g(d).smash.inp (generated)

000877165.b3lyp_6-31g(d).nwchem.inp (generated) 000877165.b3lyp_6-31g(d).log.xz 000877165.td-b3lyp_6-31g+(d).inp 000877165.td-b3lyp_6-31g+(d).log.xz

000877165.td-b3lyp_6-31+g(d).qchem.inp (generated)

000877165.td-b3lyp_6-31+g(d).gjf (generated)

000877165.td-b3lyp_6-31+g(d).firefly.inp (generated)

000877165.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000877165.mol 000877165.PUBCHEM 000877165.mol (via Jmol)
000877185.b3lyp_6-31g(d).inp

000877185.b3lyp_6-31g(d).qchem.inp (generated)

000877185.b3lyp_6-31g(d).gjf (generated)

000877185.b3lyp_6-31g(d).firefly.inp (generated)

000877185.b3lyp_6-31g(d).smash.inp (generated)

000877185.b3lyp_6-31g(d).nwchem.inp (generated) 000877185.b3lyp_6-31g(d).log.xz 000877185.td-b3lyp_6-31g+(d).inp 000877185.td-b3lyp_6-31g+(d).log.xz

000877185.td-b3lyp_6-31+g(d).qchem.inp (generated)

000877185.td-b3lyp_6-31+g(d).gjf (generated)

000877185.td-b3lyp_6-31+g(d).firefly.inp (generated)

000877185.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000877185.mol 000877185.PUBCHEM 000877185.mol (via Jmol)
000877188.b3lyp_6-31g(d).inp

000877188.b3lyp_6-31g(d).qchem.inp (generated)

000877188.b3lyp_6-31g(d).gjf (generated)

000877188.b3lyp_6-31g(d).firefly.inp (generated)

000877188.b3lyp_6-31g(d).smash.inp (generated)

000877188.b3lyp_6-31g(d).nwchem.inp (generated) 000877188.b3lyp_6-31g(d).log.xz 000877188.td-b3lyp_6-31g+(d).inp 000877188.td-b3lyp_6-31g+(d).log.xz

000877188.td-b3lyp_6-31+g(d).qchem.inp (generated)

000877188.td-b3lyp_6-31+g(d).gjf (generated)

000877188.td-b3lyp_6-31+g(d).firefly.inp (generated)

000877188.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000877188.mol 000877188.PUBCHEM 000877188.mol (via Jmol)
000877214.b3lyp_6-31g(d).inp

000877214.b3lyp_6-31g(d).qchem.inp (generated)

000877214.b3lyp_6-31g(d).gjf (generated)

000877214.b3lyp_6-31g(d).firefly.inp (generated)

000877214.b3lyp_6-31g(d).smash.inp (generated)

000877214.b3lyp_6-31g(d).nwchem.inp (generated) 000877214.b3lyp_6-31g(d).log.xz 000877214.td-b3lyp_6-31g+(d).inp 000877214.td-b3lyp_6-31g+(d).log.xz

000877214.td-b3lyp_6-31+g(d).qchem.inp (generated)

000877214.td-b3lyp_6-31+g(d).gjf (generated)

000877214.td-b3lyp_6-31+g(d).firefly.inp (generated)

000877214.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000877214.mol 000877214.PUBCHEM 000877214.mol (via Jmol)
000877240.b3lyp_6-31g(d).inp

000877240.b3lyp_6-31g(d).qchem.inp (generated)

000877240.b3lyp_6-31g(d).gjf (generated)

000877240.b3lyp_6-31g(d).firefly.inp (generated)

000877240.b3lyp_6-31g(d).smash.inp (generated)

000877240.b3lyp_6-31g(d).nwchem.inp (generated) 000877240.b3lyp_6-31g(d).log.xz 000877240.td-b3lyp_6-31g+(d).inp 000877240.td-b3lyp_6-31g+(d).log.xz

000877240.td-b3lyp_6-31+g(d).qchem.inp (generated)

000877240.td-b3lyp_6-31+g(d).gjf (generated)

000877240.td-b3lyp_6-31+g(d).firefly.inp (generated)

000877240.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000877240.mol 000877240.PUBCHEM 000877240.mol (via Jmol)
000877241.b3lyp_6-31g(d).inp

000877241.b3lyp_6-31g(d).qchem.inp (generated)

000877241.b3lyp_6-31g(d).gjf (generated)

000877241.b3lyp_6-31g(d).firefly.inp (generated)

000877241.b3lyp_6-31g(d).smash.inp (generated)

000877241.b3lyp_6-31g(d).nwchem.inp (generated) 000877241.b3lyp_6-31g(d).log.xz 000877241.td-b3lyp_6-31g+(d).inp 000877241.td-b3lyp_6-31g+(d).log.xz

000877241.td-b3lyp_6-31+g(d).qchem.inp (generated)

000877241.td-b3lyp_6-31+g(d).gjf (generated)

000877241.td-b3lyp_6-31+g(d).firefly.inp (generated)

000877241.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000877241.mol 000877241.PUBCHEM 000877241.mol (via Jmol)
000877315.b3lyp_6-31g(d).inp

000877315.b3lyp_6-31g(d).qchem.inp (generated)

000877315.b3lyp_6-31g(d).gjf (generated)

000877315.b3lyp_6-31g(d).firefly.inp (generated)

000877315.b3lyp_6-31g(d).smash.inp (generated)

000877315.b3lyp_6-31g(d).nwchem.inp (generated) 000877315.b3lyp_6-31g(d).log.xz 000877315.td-b3lyp_6-31g+(d).inp 000877315.td-b3lyp_6-31g+(d).log.xz

000877315.td-b3lyp_6-31+g(d).qchem.inp (generated)

000877315.td-b3lyp_6-31+g(d).gjf (generated)

000877315.td-b3lyp_6-31+g(d).firefly.inp (generated)

000877315.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000877315.mol 000877315.PUBCHEM 000877315.mol (via Jmol)
000877337.b3lyp_6-31g(d).inp

000877337.b3lyp_6-31g(d).qchem.inp (generated)

000877337.b3lyp_6-31g(d).gjf (generated)

000877337.b3lyp_6-31g(d).firefly.inp (generated)

000877337.b3lyp_6-31g(d).smash.inp (generated)

000877337.b3lyp_6-31g(d).nwchem.inp (generated) 000877337.b3lyp_6-31g(d).log.xz 000877337.td-b3lyp_6-31g+(d).inp 000877337.td-b3lyp_6-31g+(d).log.xz

000877337.td-b3lyp_6-31+g(d).qchem.inp (generated)

000877337.td-b3lyp_6-31+g(d).gjf (generated)

000877337.td-b3lyp_6-31+g(d).firefly.inp (generated)

000877337.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000877337.mol 000877337.PUBCHEM 000877337.mol (via Jmol)
000877368.b3lyp_6-31g(d).inp

000877368.b3lyp_6-31g(d).qchem.inp (generated)

000877368.b3lyp_6-31g(d).gjf (generated)

000877368.b3lyp_6-31g(d).firefly.inp (generated)

000877368.b3lyp_6-31g(d).smash.inp (generated)

000877368.b3lyp_6-31g(d).nwchem.inp (generated) 000877368.b3lyp_6-31g(d).log.xz 000877368.td-b3lyp_6-31g+(d).inp 000877368.td-b3lyp_6-31g+(d).log.xz

000877368.td-b3lyp_6-31+g(d).qchem.inp (generated)

000877368.td-b3lyp_6-31+g(d).gjf (generated)

000877368.td-b3lyp_6-31+g(d).firefly.inp (generated)

000877368.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000877368.mol 000877368.PUBCHEM 000877368.mol (via Jmol)
000877382.b3lyp_6-31g(d).inp

000877382.b3lyp_6-31g(d).qchem.inp (generated)

000877382.b3lyp_6-31g(d).gjf (generated)

000877382.b3lyp_6-31g(d).firefly.inp (generated)

000877382.b3lyp_6-31g(d).smash.inp (generated)

000877382.b3lyp_6-31g(d).nwchem.inp (generated) 000877382.b3lyp_6-31g(d).log.xz 000877382.td-b3lyp_6-31g+(d).inp 000877382.td-b3lyp_6-31g+(d).log.xz

000877382.td-b3lyp_6-31+g(d).qchem.inp (generated)

000877382.td-b3lyp_6-31+g(d).gjf (generated)

000877382.td-b3lyp_6-31+g(d).firefly.inp (generated)

000877382.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000877382.mol 000877382.PUBCHEM 000877382.mol (via Jmol)
000877393.b3lyp_6-31g(d).inp

000877393.b3lyp_6-31g(d).qchem.inp (generated)

000877393.b3lyp_6-31g(d).gjf (generated)

000877393.b3lyp_6-31g(d).firefly.inp (generated)

000877393.b3lyp_6-31g(d).smash.inp (generated)

000877393.b3lyp_6-31g(d).nwchem.inp (generated) 000877393.b3lyp_6-31g(d).log.xz 000877393.mol 000877393.PUBCHEM 000877393.mol (via Jmol)
000877395.b3lyp_6-31g(d).inp

000877395.b3lyp_6-31g(d).qchem.inp (generated)

000877395.b3lyp_6-31g(d).gjf (generated)

000877395.b3lyp_6-31g(d).firefly.inp (generated)

000877395.b3lyp_6-31g(d).smash.inp (generated)

000877395.b3lyp_6-31g(d).nwchem.inp (generated) 000877395.b3lyp_6-31g(d).log.xz 000877395.mol 000877395.PUBCHEM 000877395.mol (via Jmol)
000877440.b3lyp_6-31g(d).inp

000877440.b3lyp_6-31g(d).qchem.inp (generated)

000877440.b3lyp_6-31g(d).gjf (generated)

000877440.b3lyp_6-31g(d).firefly.inp (generated)

000877440.b3lyp_6-31g(d).smash.inp (generated)

000877440.b3lyp_6-31g(d).nwchem.inp (generated) 000877440.b3lyp_6-31g(d).log.xz 000877440.td-b3lyp_6-31g+(d).inp 000877440.td-b3lyp_6-31g+(d).log.xz

000877440.td-b3lyp_6-31+g(d).qchem.inp (generated)

000877440.td-b3lyp_6-31+g(d).gjf (generated)

000877440.td-b3lyp_6-31+g(d).firefly.inp (generated)

000877440.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000877440.mol 000877440.PUBCHEM 000877440.mol (via Jmol)
000877446.b3lyp_6-31g(d).inp

000877446.b3lyp_6-31g(d).qchem.inp (generated)

000877446.b3lyp_6-31g(d).gjf (generated)

000877446.b3lyp_6-31g(d).firefly.inp (generated)

000877446.b3lyp_6-31g(d).smash.inp (generated)

000877446.b3lyp_6-31g(d).nwchem.inp (generated) 000877446.b3lyp_6-31g(d).log.xz 000877446.mol 000877446.PUBCHEM 000877446.mol (via Jmol)
000877467.b3lyp_6-31g(d).inp

000877467.b3lyp_6-31g(d).qchem.inp (generated)

000877467.b3lyp_6-31g(d).gjf (generated)

000877467.b3lyp_6-31g(d).firefly.inp (generated)

000877467.b3lyp_6-31g(d).smash.inp (generated)

000877467.b3lyp_6-31g(d).nwchem.inp (generated) 000877467.b3lyp_6-31g(d).log.xz 000877467.td-b3lyp_6-31g+(d).inp 000877467.td-b3lyp_6-31g+(d).log.xz

000877467.td-b3lyp_6-31+g(d).qchem.inp (generated)

000877467.td-b3lyp_6-31+g(d).gjf (generated)

000877467.td-b3lyp_6-31+g(d).firefly.inp (generated)

000877467.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000877467.mol 000877467.PUBCHEM 000877467.mol (via Jmol)
000877509.b3lyp_6-31g(d).inp

000877509.b3lyp_6-31g(d).qchem.inp (generated)

000877509.b3lyp_6-31g(d).gjf (generated)

000877509.b3lyp_6-31g(d).firefly.inp (generated)

000877509.b3lyp_6-31g(d).smash.inp (generated)

000877509.b3lyp_6-31g(d).nwchem.inp (generated) 000877509.b3lyp_6-31g(d).log.xz 000877509.mol 000877509.PUBCHEM 000877509.mol (via Jmol)
000877570.b3lyp_6-31g(d).inp

000877570.b3lyp_6-31g(d).qchem.inp (generated)

000877570.b3lyp_6-31g(d).gjf (generated)

000877570.b3lyp_6-31g(d).firefly.inp (generated)

000877570.b3lyp_6-31g(d).smash.inp (generated)

000877570.b3lyp_6-31g(d).nwchem.inp (generated) 000877570.b3lyp_6-31g(d).log.xz 000877570.td-b3lyp_6-31g+(d).inp 000877570.td-b3lyp_6-31g+(d).log.xz

000877570.td-b3lyp_6-31+g(d).qchem.inp (generated)

000877570.td-b3lyp_6-31+g(d).gjf (generated)

000877570.td-b3lyp_6-31+g(d).firefly.inp (generated)

000877570.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000877570.mol 000877570.PUBCHEM 000877570.mol (via Jmol)
000877572.b3lyp_6-31g(d).inp

000877572.b3lyp_6-31g(d).qchem.inp (generated)

000877572.b3lyp_6-31g(d).gjf (generated)

000877572.b3lyp_6-31g(d).firefly.inp (generated)

000877572.b3lyp_6-31g(d).smash.inp (generated)

000877572.b3lyp_6-31g(d).nwchem.inp (generated) 000877572.b3lyp_6-31g(d).log.xz 000877572.td-b3lyp_6-31g+(d).inp 000877572.td-b3lyp_6-31g+(d).log.xz

000877572.td-b3lyp_6-31+g(d).qchem.inp (generated)

000877572.td-b3lyp_6-31+g(d).gjf (generated)

000877572.td-b3lyp_6-31+g(d).firefly.inp (generated)

000877572.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000877572.mol 000877572.PUBCHEM 000877572.mol (via Jmol)
000877619.b3lyp_6-31g(d).inp

000877619.b3lyp_6-31g(d).qchem.inp (generated)

000877619.b3lyp_6-31g(d).gjf (generated)

000877619.b3lyp_6-31g(d).firefly.inp (generated)

000877619.b3lyp_6-31g(d).smash.inp (generated)

000877619.b3lyp_6-31g(d).nwchem.inp (generated) 000877619.b3lyp_6-31g(d).log.xz 000877619.td-b3lyp_6-31g+(d).inp 000877619.td-b3lyp_6-31g+(d).log.xz

000877619.td-b3lyp_6-31+g(d).qchem.inp (generated)

000877619.td-b3lyp_6-31+g(d).gjf (generated)

000877619.td-b3lyp_6-31+g(d).firefly.inp (generated)

000877619.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000877619.mol 000877619.PUBCHEM 000877619.mol (via Jmol)
000877637.b3lyp_6-31g(d).inp

000877637.b3lyp_6-31g(d).qchem.inp (generated)

000877637.b3lyp_6-31g(d).gjf (generated)

000877637.b3lyp_6-31g(d).firefly.inp (generated)

000877637.b3lyp_6-31g(d).smash.inp (generated)

000877637.b3lyp_6-31g(d).nwchem.inp (generated) 000877637.b3lyp_6-31g(d).log.xz 000877637.td-b3lyp_6-31g+(d).inp 000877637.td-b3lyp_6-31g+(d).log.xz

000877637.td-b3lyp_6-31+g(d).qchem.inp (generated)

000877637.td-b3lyp_6-31+g(d).gjf (generated)

000877637.td-b3lyp_6-31+g(d).firefly.inp (generated)

000877637.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000877637.mol 000877637.PUBCHEM 000877637.mol (via Jmol)
000877648.b3lyp_6-31g(d).inp

000877648.b3lyp_6-31g(d).qchem.inp (generated)

000877648.b3lyp_6-31g(d).gjf (generated)

000877648.b3lyp_6-31g(d).firefly.inp (generated)

000877648.b3lyp_6-31g(d).smash.inp (generated)

000877648.b3lyp_6-31g(d).nwchem.inp (generated) 000877648.b3lyp_6-31g(d).log.xz 000877648.td-b3lyp_6-31g+(d).inp 000877648.td-b3lyp_6-31g+(d).log.xz

000877648.td-b3lyp_6-31+g(d).qchem.inp (generated)

000877648.td-b3lyp_6-31+g(d).gjf (generated)

000877648.td-b3lyp_6-31+g(d).firefly.inp (generated)

000877648.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000877648.mol 000877648.PUBCHEM 000877648.mol (via Jmol)
000877679.b3lyp_6-31g(d).inp

000877679.b3lyp_6-31g(d).qchem.inp (generated)

000877679.b3lyp_6-31g(d).gjf (generated)

000877679.b3lyp_6-31g(d).firefly.inp (generated)

000877679.b3lyp_6-31g(d).smash.inp (generated)

000877679.b3lyp_6-31g(d).nwchem.inp (generated) 000877679.b3lyp_6-31g(d).log.xz 000877679.td-b3lyp_6-31g+(d).inp 000877679.td-b3lyp_6-31g+(d).log.xz

000877679.td-b3lyp_6-31+g(d).qchem.inp (generated)

000877679.td-b3lyp_6-31+g(d).gjf (generated)

000877679.td-b3lyp_6-31+g(d).firefly.inp (generated)

000877679.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000877679.mol 000877679.PUBCHEM 000877679.mol (via Jmol)
000877707.b3lyp_6-31g(d).inp

000877707.b3lyp_6-31g(d).qchem.inp (generated)

000877707.b3lyp_6-31g(d).gjf (generated)

000877707.b3lyp_6-31g(d).firefly.inp (generated)

000877707.b3lyp_6-31g(d).smash.inp (generated)

000877707.b3lyp_6-31g(d).nwchem.inp (generated) 000877707.b3lyp_6-31g(d).log.xz 000877707.td-b3lyp_6-31g+(d).inp 000877707.td-b3lyp_6-31g+(d).log.xz

000877707.td-b3lyp_6-31+g(d).qchem.inp (generated)

000877707.td-b3lyp_6-31+g(d).gjf (generated)

000877707.td-b3lyp_6-31+g(d).firefly.inp (generated)

000877707.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000877707.mol 000877707.PUBCHEM 000877707.mol (via Jmol)
000877771.b3lyp_6-31g(d).inp

000877771.b3lyp_6-31g(d).qchem.inp (generated)

000877771.b3lyp_6-31g(d).gjf (generated)

000877771.b3lyp_6-31g(d).firefly.inp (generated)

000877771.b3lyp_6-31g(d).smash.inp (generated)

000877771.b3lyp_6-31g(d).nwchem.inp (generated) 000877771.b3lyp_6-31g(d).log.xz 000877771.td-b3lyp_6-31g+(d).inp 000877771.td-b3lyp_6-31g+(d).log.xz

000877771.td-b3lyp_6-31+g(d).qchem.inp (generated)

000877771.td-b3lyp_6-31+g(d).gjf (generated)

000877771.td-b3lyp_6-31+g(d).firefly.inp (generated)

000877771.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000877771.mol 000877771.PUBCHEM 000877771.mol (via Jmol)
000877772.b3lyp_6-31g(d).inp

000877772.b3lyp_6-31g(d).qchem.inp (generated)

000877772.b3lyp_6-31g(d).gjf (generated)

000877772.b3lyp_6-31g(d).firefly.inp (generated)

000877772.b3lyp_6-31g(d).smash.inp (generated)

000877772.b3lyp_6-31g(d).nwchem.inp (generated) 000877772.b3lyp_6-31g(d).log.xz 000877772.td-b3lyp_6-31g+(d).inp 000877772.td-b3lyp_6-31g+(d).log.xz

000877772.td-b3lyp_6-31+g(d).qchem.inp (generated)

000877772.td-b3lyp_6-31+g(d).gjf (generated)

000877772.td-b3lyp_6-31+g(d).firefly.inp (generated)

000877772.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000877772.mol 000877772.PUBCHEM 000877772.mol (via Jmol)
000877776.b3lyp_6-31g(d).inp

000877776.b3lyp_6-31g(d).qchem.inp (generated)

000877776.b3lyp_6-31g(d).gjf (generated)

000877776.b3lyp_6-31g(d).firefly.inp (generated)

000877776.b3lyp_6-31g(d).smash.inp (generated)

000877776.b3lyp_6-31g(d).nwchem.inp (generated) 000877776.b3lyp_6-31g(d).log.xz 000877776.td-b3lyp_6-31g+(d).inp 000877776.td-b3lyp_6-31g+(d).log.xz

000877776.td-b3lyp_6-31+g(d).qchem.inp (generated)

000877776.td-b3lyp_6-31+g(d).gjf (generated)

000877776.td-b3lyp_6-31+g(d).firefly.inp (generated)

000877776.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000877776.mol 000877776.PUBCHEM 000877776.mol (via Jmol)
000877791.b3lyp_6-31g(d).inp

000877791.b3lyp_6-31g(d).qchem.inp (generated)

000877791.b3lyp_6-31g(d).gjf (generated)

000877791.b3lyp_6-31g(d).firefly.inp (generated)

000877791.b3lyp_6-31g(d).smash.inp (generated)

000877791.b3lyp_6-31g(d).nwchem.inp (generated) 000877791.b3lyp_6-31g(d).log.xz 000877791.td-b3lyp_6-31g+(d).inp 000877791.td-b3lyp_6-31g+(d).log.xz

000877791.td-b3lyp_6-31+g(d).qchem.inp (generated)

000877791.td-b3lyp_6-31+g(d).gjf (generated)

000877791.td-b3lyp_6-31+g(d).firefly.inp (generated)

000877791.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000877791.mol 000877791.PUBCHEM 000877791.mol (via Jmol)
000877795.b3lyp_6-31g(d).inp

000877795.b3lyp_6-31g(d).qchem.inp (generated)

000877795.b3lyp_6-31g(d).gjf (generated)

000877795.b3lyp_6-31g(d).firefly.inp (generated)

000877795.b3lyp_6-31g(d).smash.inp (generated)

000877795.b3lyp_6-31g(d).nwchem.inp (generated) 000877795.b3lyp_6-31g(d).log.xz 000877795.td-b3lyp_6-31g+(d).inp 000877795.td-b3lyp_6-31g+(d).log.xz

000877795.td-b3lyp_6-31+g(d).qchem.inp (generated)

000877795.td-b3lyp_6-31+g(d).gjf (generated)

000877795.td-b3lyp_6-31+g(d).firefly.inp (generated)

000877795.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000877795.mol 000877795.PUBCHEM 000877795.mol (via Jmol)
000877801.b3lyp_6-31g(d).inp

000877801.b3lyp_6-31g(d).qchem.inp (generated)

000877801.b3lyp_6-31g(d).gjf (generated)

000877801.b3lyp_6-31g(d).firefly.inp (generated)

000877801.b3lyp_6-31g(d).smash.inp (generated)

000877801.b3lyp_6-31g(d).nwchem.inp (generated) 000877801.b3lyp_6-31g(d).log.xz 000877801.td-b3lyp_6-31g+(d).inp 000877801.td-b3lyp_6-31g+(d).log.xz

000877801.td-b3lyp_6-31+g(d).qchem.inp (generated)

000877801.td-b3lyp_6-31+g(d).gjf (generated)

000877801.td-b3lyp_6-31+g(d).firefly.inp (generated)

000877801.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000877801.mol 000877801.PUBCHEM 000877801.mol (via Jmol)
000877832.b3lyp_6-31g(d).inp

000877832.b3lyp_6-31g(d).qchem.inp (generated)

000877832.b3lyp_6-31g(d).gjf (generated)

000877832.b3lyp_6-31g(d).firefly.inp (generated)

000877832.b3lyp_6-31g(d).smash.inp (generated)

000877832.b3lyp_6-31g(d).nwchem.inp (generated) 000877832.b3lyp_6-31g(d).log.xz 000877832.td-b3lyp_6-31g+(d).inp 000877832.td-b3lyp_6-31g+(d).log.xz

000877832.td-b3lyp_6-31+g(d).qchem.inp (generated)

000877832.td-b3lyp_6-31+g(d).gjf (generated)

000877832.td-b3lyp_6-31+g(d).firefly.inp (generated)

000877832.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000877832.mol 000877832.PUBCHEM 000877832.mol (via Jmol)
000877836.b3lyp_6-31g(d).inp

000877836.b3lyp_6-31g(d).qchem.inp (generated)

000877836.b3lyp_6-31g(d).gjf (generated)

000877836.b3lyp_6-31g(d).firefly.inp (generated)

000877836.b3lyp_6-31g(d).smash.inp (generated)

000877836.b3lyp_6-31g(d).nwchem.inp (generated) 000877836.b3lyp_6-31g(d).log.xz 000877836.td-b3lyp_6-31g+(d).inp 000877836.td-b3lyp_6-31g+(d).log.xz

000877836.td-b3lyp_6-31+g(d).qchem.inp (generated)

000877836.td-b3lyp_6-31+g(d).gjf (generated)

000877836.td-b3lyp_6-31+g(d).firefly.inp (generated)

000877836.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000877836.mol 000877836.PUBCHEM 000877836.mol (via Jmol)
000877839.b3lyp_6-31g(d).inp

000877839.b3lyp_6-31g(d).qchem.inp (generated)

000877839.b3lyp_6-31g(d).gjf (generated)

000877839.b3lyp_6-31g(d).firefly.inp (generated)

000877839.b3lyp_6-31g(d).smash.inp (generated)

000877839.b3lyp_6-31g(d).nwchem.inp (generated) 000877839.b3lyp_6-31g(d).log.xz 000877839.mol 000877839.PUBCHEM 000877839.mol (via Jmol)
000877847.b3lyp_6-31g(d).inp

000877847.b3lyp_6-31g(d).qchem.inp (generated)

000877847.b3lyp_6-31g(d).gjf (generated)

000877847.b3lyp_6-31g(d).firefly.inp (generated)

000877847.b3lyp_6-31g(d).smash.inp (generated)

000877847.b3lyp_6-31g(d).nwchem.inp (generated) 000877847.b3lyp_6-31g(d).log.xz 000877847.mol 000877847.PUBCHEM 000877847.mol (via Jmol)
000877866.b3lyp_6-31g(d).inp

000877866.b3lyp_6-31g(d).qchem.inp (generated)

000877866.b3lyp_6-31g(d).gjf (generated)

000877866.b3lyp_6-31g(d).firefly.inp (generated)

000877866.b3lyp_6-31g(d).smash.inp (generated)

000877866.b3lyp_6-31g(d).nwchem.inp (generated) 000877866.b3lyp_6-31g(d).log.xz 000877866.td-b3lyp_6-31g+(d).inp 000877866.td-b3lyp_6-31g+(d).log.xz

000877866.td-b3lyp_6-31+g(d).qchem.inp (generated)

000877866.td-b3lyp_6-31+g(d).gjf (generated)

000877866.td-b3lyp_6-31+g(d).firefly.inp (generated)

000877866.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000877866.mol 000877866.PUBCHEM 000877866.mol (via Jmol)
000877871.b3lyp_6-31g(d).inp

000877871.b3lyp_6-31g(d).qchem.inp (generated)

000877871.b3lyp_6-31g(d).gjf (generated)

000877871.b3lyp_6-31g(d).firefly.inp (generated)

000877871.b3lyp_6-31g(d).smash.inp (generated)

000877871.b3lyp_6-31g(d).nwchem.inp (generated) 000877871.b3lyp_6-31g(d).log.xz 000877871.mol 000877871.PUBCHEM 000877871.mol (via Jmol)
000877872.b3lyp_6-31g(d).inp

000877872.b3lyp_6-31g(d).qchem.inp (generated)

000877872.b3lyp_6-31g(d).gjf (generated)

000877872.b3lyp_6-31g(d).firefly.inp (generated)

000877872.b3lyp_6-31g(d).smash.inp (generated)

000877872.b3lyp_6-31g(d).nwchem.inp (generated) 000877872.b3lyp_6-31g(d).log.xz 000877872.mol 000877872.PUBCHEM 000877872.mol (via Jmol)
000877913.b3lyp_6-31g(d).inp

000877913.b3lyp_6-31g(d).qchem.inp (generated)

000877913.b3lyp_6-31g(d).gjf (generated)

000877913.b3lyp_6-31g(d).firefly.inp (generated)

000877913.b3lyp_6-31g(d).smash.inp (generated)

000877913.b3lyp_6-31g(d).nwchem.inp (generated) 000877913.b3lyp_6-31g(d).log.xz 000877913.td-b3lyp_6-31g+(d).inp 000877913.td-b3lyp_6-31g+(d).log.xz

000877913.td-b3lyp_6-31+g(d).qchem.inp (generated)

000877913.td-b3lyp_6-31+g(d).gjf (generated)

000877913.td-b3lyp_6-31+g(d).firefly.inp (generated)

000877913.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000877913.mol 000877913.PUBCHEM 000877913.mol (via Jmol)
000877936.b3lyp_6-31g(d).inp

000877936.b3lyp_6-31g(d).qchem.inp (generated)

000877936.b3lyp_6-31g(d).gjf (generated)

000877936.b3lyp_6-31g(d).firefly.inp (generated)

000877936.b3lyp_6-31g(d).smash.inp (generated)

000877936.b3lyp_6-31g(d).nwchem.inp (generated) 000877936.b3lyp_6-31g(d).log.xz 000877936.td-b3lyp_6-31g+(d).inp 000877936.td-b3lyp_6-31g+(d).log.xz

000877936.td-b3lyp_6-31+g(d).qchem.inp (generated)

000877936.td-b3lyp_6-31+g(d).gjf (generated)

000877936.td-b3lyp_6-31+g(d).firefly.inp (generated)

000877936.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000877936.mol 000877936.PUBCHEM 000877936.mol (via Jmol)
000878029.b3lyp_6-31g(d).inp

000878029.b3lyp_6-31g(d).qchem.inp (generated)

000878029.b3lyp_6-31g(d).gjf (generated)

000878029.b3lyp_6-31g(d).firefly.inp (generated)

000878029.b3lyp_6-31g(d).smash.inp (generated)

000878029.b3lyp_6-31g(d).nwchem.inp (generated) 000878029.b3lyp_6-31g(d).log.xz 000878029.td-b3lyp_6-31g+(d).inp 000878029.td-b3lyp_6-31g+(d).log.xz

000878029.td-b3lyp_6-31+g(d).qchem.inp (generated)

000878029.td-b3lyp_6-31+g(d).gjf (generated)

000878029.td-b3lyp_6-31+g(d).firefly.inp (generated)

000878029.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000878029.mol 000878029.PUBCHEM 000878029.mol (via Jmol)
000878030.b3lyp_6-31g(d).inp

000878030.b3lyp_6-31g(d).qchem.inp (generated)

000878030.b3lyp_6-31g(d).gjf (generated)

000878030.b3lyp_6-31g(d).firefly.inp (generated)

000878030.b3lyp_6-31g(d).smash.inp (generated)

000878030.b3lyp_6-31g(d).nwchem.inp (generated) 000878030.b3lyp_6-31g(d).log.xz 000878030.td-b3lyp_6-31g+(d).inp 000878030.td-b3lyp_6-31g+(d).log.xz

000878030.td-b3lyp_6-31+g(d).qchem.inp (generated)

000878030.td-b3lyp_6-31+g(d).gjf (generated)

000878030.td-b3lyp_6-31+g(d).firefly.inp (generated)

000878030.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000878030.mol 000878030.PUBCHEM 000878030.mol (via Jmol)
000878035.b3lyp_6-31g(d).inp

000878035.b3lyp_6-31g(d).qchem.inp (generated)

000878035.b3lyp_6-31g(d).gjf (generated)

000878035.b3lyp_6-31g(d).firefly.inp (generated)

000878035.b3lyp_6-31g(d).smash.inp (generated)

000878035.b3lyp_6-31g(d).nwchem.inp (generated) 000878035.b3lyp_6-31g(d).log.xz 000878035.mol 000878035.PUBCHEM 000878035.mol (via Jmol)
000878212.b3lyp_6-31g(d).inp

000878212.b3lyp_6-31g(d).qchem.inp (generated)

000878212.b3lyp_6-31g(d).gjf (generated)

000878212.b3lyp_6-31g(d).firefly.inp (generated)

000878212.b3lyp_6-31g(d).smash.inp (generated)

000878212.b3lyp_6-31g(d).nwchem.inp (generated) 000878212.b3lyp_6-31g(d).log.xz 000878212.td-b3lyp_6-31g+(d).inp 000878212.td-b3lyp_6-31g+(d).log.xz

000878212.td-b3lyp_6-31+g(d).qchem.inp (generated)

000878212.td-b3lyp_6-31+g(d).gjf (generated)

000878212.td-b3lyp_6-31+g(d).firefly.inp (generated)

000878212.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000878212.mol 000878212.PUBCHEM 000878212.mol (via Jmol)
000878397.b3lyp_6-31g(d).inp

000878397.b3lyp_6-31g(d).qchem.inp (generated)

000878397.b3lyp_6-31g(d).gjf (generated)

000878397.b3lyp_6-31g(d).firefly.inp (generated)

000878397.b3lyp_6-31g(d).smash.inp (generated)

000878397.b3lyp_6-31g(d).nwchem.inp (generated) 000878397.b3lyp_6-31g(d).log.xz 000878397.td-b3lyp_6-31g+(d).inp 000878397.td-b3lyp_6-31g+(d).log.xz

000878397.td-b3lyp_6-31+g(d).qchem.inp (generated)

000878397.td-b3lyp_6-31+g(d).gjf (generated)

000878397.td-b3lyp_6-31+g(d).firefly.inp (generated)

000878397.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000878397.mol 000878397.PUBCHEM 000878397.mol (via Jmol)
000878419.b3lyp_6-31g(d).inp

000878419.b3lyp_6-31g(d).qchem.inp (generated)

000878419.b3lyp_6-31g(d).gjf (generated)

000878419.b3lyp_6-31g(d).firefly.inp (generated)

000878419.b3lyp_6-31g(d).smash.inp (generated)

000878419.b3lyp_6-31g(d).nwchem.inp (generated) 000878419.b3lyp_6-31g(d).log.xz 000878419.mol 000878419.PUBCHEM 000878419.mol (via Jmol)
000878451.b3lyp_6-31g(d).inp

000878451.b3lyp_6-31g(d).qchem.inp (generated)

000878451.b3lyp_6-31g(d).gjf (generated)

000878451.b3lyp_6-31g(d).firefly.inp (generated)

000878451.b3lyp_6-31g(d).smash.inp (generated)

000878451.b3lyp_6-31g(d).nwchem.inp (generated) 000878451.b3lyp_6-31g(d).log.xz 000878451.td-b3lyp_6-31g+(d).inp 000878451.td-b3lyp_6-31g+(d).log.xz

000878451.td-b3lyp_6-31+g(d).qchem.inp (generated)

000878451.td-b3lyp_6-31+g(d).gjf (generated)

000878451.td-b3lyp_6-31+g(d).firefly.inp (generated)

000878451.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000878451.mol 000878451.PUBCHEM 000878451.mol (via Jmol)
000878459.b3lyp_6-31g(d).inp

000878459.b3lyp_6-31g(d).qchem.inp (generated)

000878459.b3lyp_6-31g(d).gjf (generated)

000878459.b3lyp_6-31g(d).firefly.inp (generated)

000878459.b3lyp_6-31g(d).smash.inp (generated)

000878459.b3lyp_6-31g(d).nwchem.inp (generated) 000878459.b3lyp_6-31g(d).log.xz 000878459.td-b3lyp_6-31g+(d).inp 000878459.td-b3lyp_6-31g+(d).log.xz

000878459.td-b3lyp_6-31+g(d).qchem.inp (generated)

000878459.td-b3lyp_6-31+g(d).gjf (generated)

000878459.td-b3lyp_6-31+g(d).firefly.inp (generated)

000878459.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000878459.mol 000878459.PUBCHEM 000878459.mol (via Jmol)
000878500.b3lyp_6-31g(d).inp

000878500.b3lyp_6-31g(d).qchem.inp (generated)

000878500.b3lyp_6-31g(d).gjf (generated)

000878500.b3lyp_6-31g(d).firefly.inp (generated)

000878500.b3lyp_6-31g(d).smash.inp (generated)

000878500.b3lyp_6-31g(d).nwchem.inp (generated) 000878500.b3lyp_6-31g(d).log.xz 000878500.td-b3lyp_6-31g+(d).inp 000878500.td-b3lyp_6-31g+(d).log.xz

000878500.td-b3lyp_6-31+g(d).qchem.inp (generated)

000878500.td-b3lyp_6-31+g(d).gjf (generated)

000878500.td-b3lyp_6-31+g(d).firefly.inp (generated)

000878500.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000878500.mol 000878500.PUBCHEM 000878500.mol (via Jmol)
000878551.b3lyp_6-31g(d).inp

000878551.b3lyp_6-31g(d).qchem.inp (generated)

000878551.b3lyp_6-31g(d).gjf (generated)

000878551.b3lyp_6-31g(d).firefly.inp (generated)

000878551.b3lyp_6-31g(d).smash.inp (generated)

000878551.b3lyp_6-31g(d).nwchem.inp (generated) 000878551.b3lyp_6-31g(d).log.xz 000878551.td-b3lyp_6-31g+(d).inp 000878551.td-b3lyp_6-31g+(d).log.xz

000878551.td-b3lyp_6-31+g(d).qchem.inp (generated)

000878551.td-b3lyp_6-31+g(d).gjf (generated)

000878551.td-b3lyp_6-31+g(d).firefly.inp (generated)

000878551.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000878551.mol 000878551.PUBCHEM 000878551.mol (via Jmol)
000878552.b3lyp_6-31g(d).inp

000878552.b3lyp_6-31g(d).qchem.inp (generated)

000878552.b3lyp_6-31g(d).gjf (generated)

000878552.b3lyp_6-31g(d).firefly.inp (generated)

000878552.b3lyp_6-31g(d).smash.inp (generated)

000878552.b3lyp_6-31g(d).nwchem.inp (generated) 000878552.b3lyp_6-31g(d).log.xz 000878552.td-b3lyp_6-31g+(d).inp 000878552.td-b3lyp_6-31g+(d).log.xz

000878552.td-b3lyp_6-31+g(d).qchem.inp (generated)

000878552.td-b3lyp_6-31+g(d).gjf (generated)

000878552.td-b3lyp_6-31+g(d).firefly.inp (generated)

000878552.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000878552.mol 000878552.PUBCHEM 000878552.mol (via Jmol)
000878555.b3lyp_6-31g(d).inp

000878555.b3lyp_6-31g(d).qchem.inp (generated)

000878555.b3lyp_6-31g(d).gjf (generated)

000878555.b3lyp_6-31g(d).firefly.inp (generated)

000878555.b3lyp_6-31g(d).smash.inp (generated)

000878555.b3lyp_6-31g(d).nwchem.inp (generated) 000878555.b3lyp_6-31g(d).log.xz 000878555.td-b3lyp_6-31g+(d).inp 000878555.td-b3lyp_6-31g+(d).log.xz

000878555.td-b3lyp_6-31+g(d).qchem.inp (generated)

000878555.td-b3lyp_6-31+g(d).gjf (generated)

000878555.td-b3lyp_6-31+g(d).firefly.inp (generated)

000878555.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000878555.mol 000878555.PUBCHEM 000878555.mol (via Jmol)
000878602.b3lyp_6-31g(d).inp

000878602.b3lyp_6-31g(d).qchem.inp (generated)

000878602.b3lyp_6-31g(d).gjf (generated)

000878602.b3lyp_6-31g(d).firefly.inp (generated)

000878602.b3lyp_6-31g(d).smash.inp (generated)

000878602.b3lyp_6-31g(d).nwchem.inp (generated) 000878602.b3lyp_6-31g(d).log.xz 000878602.mol 000878602.PUBCHEM 000878602.mol (via Jmol)
000878605.b3lyp_6-31g(d).inp

000878605.b3lyp_6-31g(d).qchem.inp (generated)

000878605.b3lyp_6-31g(d).gjf (generated)

000878605.b3lyp_6-31g(d).firefly.inp (generated)

000878605.b3lyp_6-31g(d).smash.inp (generated)

000878605.b3lyp_6-31g(d).nwchem.inp (generated) 000878605.b3lyp_6-31g(d).log.xz 000878605.mol 000878605.PUBCHEM 000878605.mol (via Jmol)
000878608.b3lyp_6-31g(d).inp

000878608.b3lyp_6-31g(d).qchem.inp (generated)

000878608.b3lyp_6-31g(d).gjf (generated)

000878608.b3lyp_6-31g(d).firefly.inp (generated)

000878608.b3lyp_6-31g(d).smash.inp (generated)

000878608.b3lyp_6-31g(d).nwchem.inp (generated) 000878608.b3lyp_6-31g(d).log.xz 000878608.td-b3lyp_6-31g+(d).inp 000878608.td-b3lyp_6-31g+(d).log.xz

000878608.td-b3lyp_6-31+g(d).qchem.inp (generated)

000878608.td-b3lyp_6-31+g(d).gjf (generated)

000878608.td-b3lyp_6-31+g(d).firefly.inp (generated)

000878608.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000878608.mol 000878608.PUBCHEM 000878608.mol (via Jmol)
000878609.b3lyp_6-31g(d).inp

000878609.b3lyp_6-31g(d).qchem.inp (generated)

000878609.b3lyp_6-31g(d).gjf (generated)

000878609.b3lyp_6-31g(d).firefly.inp (generated)

000878609.b3lyp_6-31g(d).smash.inp (generated)

000878609.b3lyp_6-31g(d).nwchem.inp (generated) 000878609.b3lyp_6-31g(d).log.xz 000878609.td-b3lyp_6-31g+(d).inp 000878609.td-b3lyp_6-31g+(d).log.xz

000878609.td-b3lyp_6-31+g(d).qchem.inp (generated)

000878609.td-b3lyp_6-31+g(d).gjf (generated)

000878609.td-b3lyp_6-31+g(d).firefly.inp (generated)

000878609.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000878609.mol 000878609.PUBCHEM 000878609.mol (via Jmol)
000878627.b3lyp_6-31g(d).inp

000878627.b3lyp_6-31g(d).qchem.inp (generated)

000878627.b3lyp_6-31g(d).gjf (generated)

000878627.b3lyp_6-31g(d).firefly.inp (generated)

000878627.b3lyp_6-31g(d).smash.inp (generated)

000878627.b3lyp_6-31g(d).nwchem.inp (generated) 000878627.b3lyp_6-31g(d).log.xz 000878627.mol 000878627.PUBCHEM 000878627.mol (via Jmol)
000878636.b3lyp_6-31g(d).inp

000878636.b3lyp_6-31g(d).qchem.inp (generated)

000878636.b3lyp_6-31g(d).gjf (generated)

000878636.b3lyp_6-31g(d).firefly.inp (generated)

000878636.b3lyp_6-31g(d).smash.inp (generated)

000878636.b3lyp_6-31g(d).nwchem.inp (generated) 000878636.b3lyp_6-31g(d).log.xz 000878636.td-b3lyp_6-31g+(d).inp 000878636.td-b3lyp_6-31g+(d).log.xz

000878636.td-b3lyp_6-31+g(d).qchem.inp (generated)

000878636.td-b3lyp_6-31+g(d).gjf (generated)

000878636.td-b3lyp_6-31+g(d).firefly.inp (generated)

000878636.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000878636.mol 000878636.PUBCHEM 000878636.mol (via Jmol)
000878665.b3lyp_6-31g(d).inp

000878665.b3lyp_6-31g(d).qchem.inp (generated)

000878665.b3lyp_6-31g(d).gjf (generated)

000878665.b3lyp_6-31g(d).firefly.inp (generated)

000878665.b3lyp_6-31g(d).smash.inp (generated)

000878665.b3lyp_6-31g(d).nwchem.inp (generated) 000878665.b3lyp_6-31g(d).log.xz 000878665.mol 000878665.PUBCHEM 000878665.mol (via Jmol)
000878668.b3lyp_6-31g(d).inp

000878668.b3lyp_6-31g(d).qchem.inp (generated)

000878668.b3lyp_6-31g(d).gjf (generated)

000878668.b3lyp_6-31g(d).firefly.inp (generated)

000878668.b3lyp_6-31g(d).smash.inp (generated)

000878668.b3lyp_6-31g(d).nwchem.inp (generated) 000878668.b3lyp_6-31g(d).log.xz 000878668.td-b3lyp_6-31g+(d).inp 000878668.td-b3lyp_6-31g+(d).log.xz

000878668.td-b3lyp_6-31+g(d).qchem.inp (generated)

000878668.td-b3lyp_6-31+g(d).gjf (generated)

000878668.td-b3lyp_6-31+g(d).firefly.inp (generated)

000878668.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000878668.mol 000878668.PUBCHEM 000878668.mol (via Jmol)
000878669.b3lyp_6-31g(d).inp

000878669.b3lyp_6-31g(d).qchem.inp (generated)

000878669.b3lyp_6-31g(d).gjf (generated)

000878669.b3lyp_6-31g(d).firefly.inp (generated)

000878669.b3lyp_6-31g(d).smash.inp (generated)

000878669.b3lyp_6-31g(d).nwchem.inp (generated) 000878669.b3lyp_6-31g(d).log.xz 000878669.td-b3lyp_6-31g+(d).inp 000878669.td-b3lyp_6-31g+(d).log.xz

000878669.td-b3lyp_6-31+g(d).qchem.inp (generated)

000878669.td-b3lyp_6-31+g(d).gjf (generated)

000878669.td-b3lyp_6-31+g(d).firefly.inp (generated)

000878669.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000878669.mol 000878669.PUBCHEM 000878669.mol (via Jmol)
000878686.b3lyp_6-31g(d).inp

000878686.b3lyp_6-31g(d).qchem.inp (generated)

000878686.b3lyp_6-31g(d).gjf (generated)

000878686.b3lyp_6-31g(d).firefly.inp (generated)

000878686.b3lyp_6-31g(d).smash.inp (generated)

000878686.b3lyp_6-31g(d).nwchem.inp (generated) 000878686.b3lyp_6-31g(d).log.xz 000878686.td-b3lyp_6-31g+(d).inp 000878686.td-b3lyp_6-31g+(d).log.xz

000878686.td-b3lyp_6-31+g(d).qchem.inp (generated)

000878686.td-b3lyp_6-31+g(d).gjf (generated)

000878686.td-b3lyp_6-31+g(d).firefly.inp (generated)

000878686.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000878686.mol 000878686.PUBCHEM 000878686.mol (via Jmol)
000878720.b3lyp_6-31g(d).inp

000878720.b3lyp_6-31g(d).qchem.inp (generated)

000878720.b3lyp_6-31g(d).gjf (generated)

000878720.b3lyp_6-31g(d).firefly.inp (generated)

000878720.b3lyp_6-31g(d).smash.inp (generated)

000878720.b3lyp_6-31g(d).nwchem.inp (generated) 000878720.b3lyp_6-31g(d).log.xz 000878720.td-b3lyp_6-31g+(d).inp 000878720.td-b3lyp_6-31g+(d).log.xz

000878720.td-b3lyp_6-31+g(d).qchem.inp (generated)

000878720.td-b3lyp_6-31+g(d).gjf (generated)

000878720.td-b3lyp_6-31+g(d).firefly.inp (generated)

000878720.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000878720.mol 000878720.PUBCHEM 000878720.mol (via Jmol)
000878735.b3lyp_6-31g(d).inp

000878735.b3lyp_6-31g(d).qchem.inp (generated)

000878735.b3lyp_6-31g(d).gjf (generated)

000878735.b3lyp_6-31g(d).firefly.inp (generated)

000878735.b3lyp_6-31g(d).smash.inp (generated)

000878735.b3lyp_6-31g(d).nwchem.inp (generated) 000878735.b3lyp_6-31g(d).log.xz 000878735.td-b3lyp_6-31g+(d).inp 000878735.td-b3lyp_6-31g+(d).log.xz

000878735.td-b3lyp_6-31+g(d).qchem.inp (generated)

000878735.td-b3lyp_6-31+g(d).gjf (generated)

000878735.td-b3lyp_6-31+g(d).firefly.inp (generated)

000878735.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000878735.mol 000878735.PUBCHEM 000878735.mol (via Jmol)
000878749.b3lyp_6-31g(d).inp

000878749.b3lyp_6-31g(d).qchem.inp (generated)

000878749.b3lyp_6-31g(d).gjf (generated)

000878749.b3lyp_6-31g(d).firefly.inp (generated)

000878749.b3lyp_6-31g(d).smash.inp (generated)

000878749.b3lyp_6-31g(d).nwchem.inp (generated) 000878749.b3lyp_6-31g(d).log.xz 000878749.mol 000878749.PUBCHEM 000878749.mol (via Jmol)
000878768.b3lyp_6-31g(d).inp

000878768.b3lyp_6-31g(d).qchem.inp (generated)

000878768.b3lyp_6-31g(d).gjf (generated)

000878768.b3lyp_6-31g(d).firefly.inp (generated)

000878768.b3lyp_6-31g(d).smash.inp (generated)

000878768.b3lyp_6-31g(d).nwchem.inp (generated) 000878768.b3lyp_6-31g(d).log.xz 000878768.td-b3lyp_6-31g+(d).inp 000878768.td-b3lyp_6-31g+(d).log.xz

000878768.td-b3lyp_6-31+g(d).qchem.inp (generated)

000878768.td-b3lyp_6-31+g(d).gjf (generated)

000878768.td-b3lyp_6-31+g(d).firefly.inp (generated)

000878768.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000878768.mol 000878768.PUBCHEM 000878768.mol (via Jmol)
000878844.b3lyp_6-31g(d).inp

000878844.b3lyp_6-31g(d).qchem.inp (generated)

000878844.b3lyp_6-31g(d).gjf (generated)

000878844.b3lyp_6-31g(d).firefly.inp (generated)

000878844.b3lyp_6-31g(d).smash.inp (generated)

000878844.b3lyp_6-31g(d).nwchem.inp (generated) 000878844.b3lyp_6-31g(d).log.xz 000878844.td-b3lyp_6-31g+(d).inp 000878844.td-b3lyp_6-31g+(d).log.xz

000878844.td-b3lyp_6-31+g(d).qchem.inp (generated)

000878844.td-b3lyp_6-31+g(d).gjf (generated)

000878844.td-b3lyp_6-31+g(d).firefly.inp (generated)

000878844.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000878844.mol 000878844.PUBCHEM 000878844.mol (via Jmol)
000878870.b3lyp_6-31g(d).inp

000878870.b3lyp_6-31g(d).qchem.inp (generated)

000878870.b3lyp_6-31g(d).gjf (generated)

000878870.b3lyp_6-31g(d).firefly.inp (generated)

000878870.b3lyp_6-31g(d).smash.inp (generated)

000878870.b3lyp_6-31g(d).nwchem.inp (generated) 000878870.b3lyp_6-31g(d).log.xz 000878870.td-b3lyp_6-31g+(d).inp 000878870.td-b3lyp_6-31g+(d).log.xz

000878870.td-b3lyp_6-31+g(d).qchem.inp (generated)

000878870.td-b3lyp_6-31+g(d).gjf (generated)

000878870.td-b3lyp_6-31+g(d).firefly.inp (generated)

000878870.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000878870.mol 000878870.PUBCHEM 000878870.mol (via Jmol)
000878923.b3lyp_6-31g(d).inp

000878923.b3lyp_6-31g(d).qchem.inp (generated)

000878923.b3lyp_6-31g(d).gjf (generated)

000878923.b3lyp_6-31g(d).firefly.inp (generated)

000878923.b3lyp_6-31g(d).smash.inp (generated)

000878923.b3lyp_6-31g(d).nwchem.inp (generated) 000878923.b3lyp_6-31g(d).log.xz 000878923.mol 000878923.PUBCHEM 000878923.mol (via Jmol)
000879024.b3lyp_6-31g(d).inp

000879024.b3lyp_6-31g(d).qchem.inp (generated)

000879024.b3lyp_6-31g(d).gjf (generated)

000879024.b3lyp_6-31g(d).firefly.inp (generated)

000879024.b3lyp_6-31g(d).smash.inp (generated)

000879024.b3lyp_6-31g(d).nwchem.inp (generated) 000879024.b3lyp_6-31g(d).log.xz 000879024.mol 000879024.PUBCHEM 000879024.mol (via Jmol)
000879026.b3lyp_6-31g(d).inp

000879026.b3lyp_6-31g(d).qchem.inp (generated)

000879026.b3lyp_6-31g(d).gjf (generated)

000879026.b3lyp_6-31g(d).firefly.inp (generated)

000879026.b3lyp_6-31g(d).smash.inp (generated)

000879026.b3lyp_6-31g(d).nwchem.inp (generated) 000879026.b3lyp_6-31g(d).log.xz 000879026.td-b3lyp_6-31g+(d).inp 000879026.td-b3lyp_6-31g+(d).log.xz

000879026.td-b3lyp_6-31+g(d).qchem.inp (generated)

000879026.td-b3lyp_6-31+g(d).gjf (generated)

000879026.td-b3lyp_6-31+g(d).firefly.inp (generated)

000879026.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000879026.mol 000879026.PUBCHEM 000879026.mol (via Jmol)
000879059.b3lyp_6-31g(d).inp

000879059.b3lyp_6-31g(d).qchem.inp (generated)

000879059.b3lyp_6-31g(d).gjf (generated)

000879059.b3lyp_6-31g(d).firefly.inp (generated)

000879059.b3lyp_6-31g(d).smash.inp (generated)

000879059.b3lyp_6-31g(d).nwchem.inp (generated) 000879059.b3lyp_6-31g(d).log.xz 000879059.td-b3lyp_6-31g+(d).inp 000879059.td-b3lyp_6-31g+(d).log.xz

000879059.td-b3lyp_6-31+g(d).qchem.inp (generated)

000879059.td-b3lyp_6-31+g(d).gjf (generated)

000879059.td-b3lyp_6-31+g(d).firefly.inp (generated)

000879059.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000879059.mol 000879059.PUBCHEM 000879059.mol (via Jmol)
000879060.b3lyp_6-31g(d).inp

000879060.b3lyp_6-31g(d).qchem.inp (generated)

000879060.b3lyp_6-31g(d).gjf (generated)

000879060.b3lyp_6-31g(d).firefly.inp (generated)

000879060.b3lyp_6-31g(d).smash.inp (generated)

000879060.b3lyp_6-31g(d).nwchem.inp (generated) 000879060.b3lyp_6-31g(d).log.xz 000879060.td-b3lyp_6-31g+(d).inp 000879060.td-b3lyp_6-31g+(d).log.xz

000879060.td-b3lyp_6-31+g(d).qchem.inp (generated)

000879060.td-b3lyp_6-31+g(d).gjf (generated)

000879060.td-b3lyp_6-31+g(d).firefly.inp (generated)

000879060.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000879060.mol 000879060.PUBCHEM 000879060.mol (via Jmol)
000879084.b3lyp_6-31g(d).inp

000879084.b3lyp_6-31g(d).qchem.inp (generated)

000879084.b3lyp_6-31g(d).gjf (generated)

000879084.b3lyp_6-31g(d).firefly.inp (generated)

000879084.b3lyp_6-31g(d).smash.inp (generated)

000879084.b3lyp_6-31g(d).nwchem.inp (generated) 000879084.b3lyp_6-31g(d).log.xz 000879084.td-b3lyp_6-31g+(d).inp 000879084.td-b3lyp_6-31g+(d).log.xz

000879084.td-b3lyp_6-31+g(d).qchem.inp (generated)

000879084.td-b3lyp_6-31+g(d).gjf (generated)

000879084.td-b3lyp_6-31+g(d).firefly.inp (generated)

000879084.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000879084.mol 000879084.PUBCHEM 000879084.mol (via Jmol)
000879100.b3lyp_6-31g(d).inp

000879100.b3lyp_6-31g(d).qchem.inp (generated)

000879100.b3lyp_6-31g(d).gjf (generated)

000879100.b3lyp_6-31g(d).firefly.inp (generated)

000879100.b3lyp_6-31g(d).smash.inp (generated)

000879100.b3lyp_6-31g(d).nwchem.inp (generated) 000879100.b3lyp_6-31g(d).log.xz 000879100.td-b3lyp_6-31g+(d).inp 000879100.td-b3lyp_6-31g+(d).log.xz

000879100.td-b3lyp_6-31+g(d).qchem.inp (generated)

000879100.td-b3lyp_6-31+g(d).gjf (generated)

000879100.td-b3lyp_6-31+g(d).firefly.inp (generated)

000879100.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000879100.mol 000879100.PUBCHEM 000879100.mol (via Jmol)
000879115.b3lyp_6-31g(d).inp

000879115.b3lyp_6-31g(d).qchem.inp (generated)

000879115.b3lyp_6-31g(d).gjf (generated)

000879115.b3lyp_6-31g(d).firefly.inp (generated)

000879115.b3lyp_6-31g(d).smash.inp (generated)

000879115.b3lyp_6-31g(d).nwchem.inp (generated) 000879115.b3lyp_6-31g(d).log.xz 000879115.td-b3lyp_6-31g+(d).inp 000879115.td-b3lyp_6-31g+(d).log.xz

000879115.td-b3lyp_6-31+g(d).qchem.inp (generated)

000879115.td-b3lyp_6-31+g(d).gjf (generated)

000879115.td-b3lyp_6-31+g(d).firefly.inp (generated)

000879115.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000879115.mol 000879115.PUBCHEM 000879115.mol (via Jmol)
000879148.b3lyp_6-31g(d).inp

000879148.b3lyp_6-31g(d).qchem.inp (generated)

000879148.b3lyp_6-31g(d).gjf (generated)

000879148.b3lyp_6-31g(d).firefly.inp (generated)

000879148.b3lyp_6-31g(d).smash.inp (generated)

000879148.b3lyp_6-31g(d).nwchem.inp (generated) 000879148.b3lyp_6-31g(d).log.xz 000879148.td-b3lyp_6-31g+(d).inp 000879148.td-b3lyp_6-31g+(d).log.xz

000879148.td-b3lyp_6-31+g(d).qchem.inp (generated)

000879148.td-b3lyp_6-31+g(d).gjf (generated)

000879148.td-b3lyp_6-31+g(d).firefly.inp (generated)

000879148.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000879148.mol 000879148.PUBCHEM 000879148.mol (via Jmol)
000879154.b3lyp_6-31g(d).inp

000879154.b3lyp_6-31g(d).qchem.inp (generated)

000879154.b3lyp_6-31g(d).gjf (generated)

000879154.b3lyp_6-31g(d).firefly.inp (generated)

000879154.b3lyp_6-31g(d).smash.inp (generated)

000879154.b3lyp_6-31g(d).nwchem.inp (generated) 000879154.b3lyp_6-31g(d).log.xz 000879154.td-b3lyp_6-31g+(d).inp 000879154.td-b3lyp_6-31g+(d).log.xz

000879154.td-b3lyp_6-31+g(d).qchem.inp (generated)

000879154.td-b3lyp_6-31+g(d).gjf (generated)

000879154.td-b3lyp_6-31+g(d).firefly.inp (generated)

000879154.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000879154.mol 000879154.PUBCHEM 000879154.mol (via Jmol)
000879158.b3lyp_6-31g(d).inp

000879158.b3lyp_6-31g(d).qchem.inp (generated)

000879158.b3lyp_6-31g(d).gjf (generated)

000879158.b3lyp_6-31g(d).firefly.inp (generated)

000879158.b3lyp_6-31g(d).smash.inp (generated)

000879158.b3lyp_6-31g(d).nwchem.inp (generated) 000879158.b3lyp_6-31g(d).log.xz 000879158.td-b3lyp_6-31g+(d).inp 000879158.td-b3lyp_6-31g+(d).log.xz

000879158.td-b3lyp_6-31+g(d).qchem.inp (generated)

000879158.td-b3lyp_6-31+g(d).gjf (generated)

000879158.td-b3lyp_6-31+g(d).firefly.inp (generated)

000879158.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000879158.mol 000879158.PUBCHEM 000879158.mol (via Jmol)
000879159.b3lyp_6-31g(d).inp

000879159.b3lyp_6-31g(d).qchem.inp (generated)

000879159.b3lyp_6-31g(d).gjf (generated)

000879159.b3lyp_6-31g(d).firefly.inp (generated)

000879159.b3lyp_6-31g(d).smash.inp (generated)

000879159.b3lyp_6-31g(d).nwchem.inp (generated) 000879159.b3lyp_6-31g(d).log.xz 000879159.td-b3lyp_6-31g+(d).inp 000879159.td-b3lyp_6-31g+(d).log.xz

000879159.td-b3lyp_6-31+g(d).qchem.inp (generated)

000879159.td-b3lyp_6-31+g(d).gjf (generated)

000879159.td-b3lyp_6-31+g(d).firefly.inp (generated)

000879159.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000879159.mol 000879159.PUBCHEM 000879159.mol (via Jmol)
000879171.b3lyp_6-31g(d).inp

000879171.b3lyp_6-31g(d).qchem.inp (generated)

000879171.b3lyp_6-31g(d).gjf (generated)

000879171.b3lyp_6-31g(d).firefly.inp (generated)

000879171.b3lyp_6-31g(d).smash.inp (generated)

000879171.b3lyp_6-31g(d).nwchem.inp (generated) 000879171.b3lyp_6-31g(d).log.xz 000879171.td-b3lyp_6-31g+(d).inp 000879171.td-b3lyp_6-31g+(d).log.xz

000879171.td-b3lyp_6-31+g(d).qchem.inp (generated)

000879171.td-b3lyp_6-31+g(d).gjf (generated)

000879171.td-b3lyp_6-31+g(d).firefly.inp (generated)

000879171.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000879171.mol 000879171.PUBCHEM 000879171.mol (via Jmol)
000879180.b3lyp_6-31g(d).inp

000879180.b3lyp_6-31g(d).qchem.inp (generated)

000879180.b3lyp_6-31g(d).gjf (generated)

000879180.b3lyp_6-31g(d).firefly.inp (generated)

000879180.b3lyp_6-31g(d).smash.inp (generated)

000879180.b3lyp_6-31g(d).nwchem.inp (generated) 000879180.b3lyp_6-31g(d).log.xz 000879180.mol 000879180.PUBCHEM 000879180.mol (via Jmol)
000879181.b3lyp_6-31g(d).inp

000879181.b3lyp_6-31g(d).qchem.inp (generated)

000879181.b3lyp_6-31g(d).gjf (generated)

000879181.b3lyp_6-31g(d).firefly.inp (generated)

000879181.b3lyp_6-31g(d).smash.inp (generated)

000879181.b3lyp_6-31g(d).nwchem.inp (generated) 000879181.b3lyp_6-31g(d).log.xz 000879181.mol 000879181.PUBCHEM 000879181.mol (via Jmol)
000879184.b3lyp_6-31g(d).inp

000879184.b3lyp_6-31g(d).qchem.inp (generated)

000879184.b3lyp_6-31g(d).gjf (generated)

000879184.b3lyp_6-31g(d).firefly.inp (generated)

000879184.b3lyp_6-31g(d).smash.inp (generated)

000879184.b3lyp_6-31g(d).nwchem.inp (generated) 000879184.b3lyp_6-31g(d).log.xz 000879184.td-b3lyp_6-31g+(d).inp 000879184.td-b3lyp_6-31g+(d).log.xz

000879184.td-b3lyp_6-31+g(d).qchem.inp (generated)

000879184.td-b3lyp_6-31+g(d).gjf (generated)

000879184.td-b3lyp_6-31+g(d).firefly.inp (generated)

000879184.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000879184.mol 000879184.PUBCHEM 000879184.mol (via Jmol)
000879196.b3lyp_6-31g(d).inp

000879196.b3lyp_6-31g(d).qchem.inp (generated)

000879196.b3lyp_6-31g(d).gjf (generated)

000879196.b3lyp_6-31g(d).firefly.inp (generated)

000879196.b3lyp_6-31g(d).smash.inp (generated)

000879196.b3lyp_6-31g(d).nwchem.inp (generated) 000879196.b3lyp_6-31g(d).log.xz 000879196.td-b3lyp_6-31g+(d).inp 000879196.td-b3lyp_6-31g+(d).log.xz

000879196.td-b3lyp_6-31+g(d).qchem.inp (generated)

000879196.td-b3lyp_6-31+g(d).gjf (generated)

000879196.td-b3lyp_6-31+g(d).firefly.inp (generated)

000879196.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000879196.mol 000879196.PUBCHEM 000879196.mol (via Jmol)
000879198.b3lyp_6-31g(d).inp

000879198.b3lyp_6-31g(d).qchem.inp (generated)

000879198.b3lyp_6-31g(d).gjf (generated)

000879198.b3lyp_6-31g(d).firefly.inp (generated)

000879198.b3lyp_6-31g(d).smash.inp (generated)

000879198.b3lyp_6-31g(d).nwchem.inp (generated) 000879198.b3lyp_6-31g(d).log.xz 000879198.td-b3lyp_6-31g+(d).inp 000879198.td-b3lyp_6-31g+(d).log.xz

000879198.td-b3lyp_6-31+g(d).qchem.inp (generated)

000879198.td-b3lyp_6-31+g(d).gjf (generated)

000879198.td-b3lyp_6-31+g(d).firefly.inp (generated)

000879198.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000879198.mol 000879198.PUBCHEM 000879198.mol (via Jmol)
000879209.b3lyp_6-31g(d).inp

000879209.b3lyp_6-31g(d).qchem.inp (generated)

000879209.b3lyp_6-31g(d).gjf (generated)

000879209.b3lyp_6-31g(d).firefly.inp (generated)

000879209.b3lyp_6-31g(d).smash.inp (generated)

000879209.b3lyp_6-31g(d).nwchem.inp (generated) 000879209.b3lyp_6-31g(d).log.xz 000879209.mol 000879209.PUBCHEM 000879209.mol (via Jmol)
000879213.b3lyp_6-31g(d).inp

000879213.b3lyp_6-31g(d).qchem.inp (generated)

000879213.b3lyp_6-31g(d).gjf (generated)

000879213.b3lyp_6-31g(d).firefly.inp (generated)

000879213.b3lyp_6-31g(d).smash.inp (generated)

000879213.b3lyp_6-31g(d).nwchem.inp (generated) 000879213.b3lyp_6-31g(d).log.xz 000879213.td-b3lyp_6-31g+(d).inp 000879213.td-b3lyp_6-31g+(d).log.xz

000879213.td-b3lyp_6-31+g(d).qchem.inp (generated)

000879213.td-b3lyp_6-31+g(d).gjf (generated)

000879213.td-b3lyp_6-31+g(d).firefly.inp (generated)

000879213.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000879213.mol 000879213.PUBCHEM 000879213.mol (via Jmol)
000879218.b3lyp_6-31g(d).inp

000879218.b3lyp_6-31g(d).qchem.inp (generated)

000879218.b3lyp_6-31g(d).gjf (generated)

000879218.b3lyp_6-31g(d).firefly.inp (generated)

000879218.b3lyp_6-31g(d).smash.inp (generated)

000879218.b3lyp_6-31g(d).nwchem.inp (generated) 000879218.b3lyp_6-31g(d).log.xz 000879218.mol 000879218.PUBCHEM 000879218.mol (via Jmol)
000879253.b3lyp_6-31g(d).inp

000879253.b3lyp_6-31g(d).qchem.inp (generated)

000879253.b3lyp_6-31g(d).gjf (generated)

000879253.b3lyp_6-31g(d).firefly.inp (generated)

000879253.b3lyp_6-31g(d).smash.inp (generated)

000879253.b3lyp_6-31g(d).nwchem.inp (generated) 000879253.b3lyp_6-31g(d).log.xz 000879253.mol 000879253.PUBCHEM 000879253.mol (via Jmol)
000879296.b3lyp_6-31g(d).inp

000879296.b3lyp_6-31g(d).qchem.inp (generated)

000879296.b3lyp_6-31g(d).gjf (generated)

000879296.b3lyp_6-31g(d).firefly.inp (generated)

000879296.b3lyp_6-31g(d).smash.inp (generated)

000879296.b3lyp_6-31g(d).nwchem.inp (generated) 000879296.b3lyp_6-31g(d).log.xz 000879296.mol 000879296.PUBCHEM 000879296.mol (via Jmol)
000879303.b3lyp_6-31g(d).inp

000879303.b3lyp_6-31g(d).qchem.inp (generated)

000879303.b3lyp_6-31g(d).gjf (generated)

000879303.b3lyp_6-31g(d).firefly.inp (generated)

000879303.b3lyp_6-31g(d).smash.inp (generated)

000879303.b3lyp_6-31g(d).nwchem.inp (generated) 000879303.b3lyp_6-31g(d).log.xz 000879303.mol 000879303.PUBCHEM 000879303.mol (via Jmol)
000879306.b3lyp_6-31g(d).inp

000879306.b3lyp_6-31g(d).qchem.inp (generated)

000879306.b3lyp_6-31g(d).gjf (generated)

000879306.b3lyp_6-31g(d).firefly.inp (generated)

000879306.b3lyp_6-31g(d).smash.inp (generated)

000879306.b3lyp_6-31g(d).nwchem.inp (generated) 000879306.b3lyp_6-31g(d).log.xz 000879306.td-b3lyp_6-31g+(d).inp 000879306.td-b3lyp_6-31g+(d).log.xz

000879306.td-b3lyp_6-31+g(d).qchem.inp (generated)

000879306.td-b3lyp_6-31+g(d).gjf (generated)

000879306.td-b3lyp_6-31+g(d).firefly.inp (generated)

000879306.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000879306.mol 000879306.PUBCHEM 000879306.mol (via Jmol)
000879323.b3lyp_6-31g(d).inp

000879323.b3lyp_6-31g(d).qchem.inp (generated)

000879323.b3lyp_6-31g(d).gjf (generated)

000879323.b3lyp_6-31g(d).firefly.inp (generated)

000879323.b3lyp_6-31g(d).smash.inp (generated)

000879323.b3lyp_6-31g(d).nwchem.inp (generated) 000879323.b3lyp_6-31g(d).log.xz 000879323.td-b3lyp_6-31g+(d).inp 000879323.td-b3lyp_6-31g+(d).log.xz

000879323.td-b3lyp_6-31+g(d).qchem.inp (generated)

000879323.td-b3lyp_6-31+g(d).gjf (generated)

000879323.td-b3lyp_6-31+g(d).firefly.inp (generated)

000879323.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000879323.mol 000879323.PUBCHEM 000879323.mol (via Jmol)
000879325.b3lyp_6-31g(d).inp

000879325.b3lyp_6-31g(d).qchem.inp (generated)

000879325.b3lyp_6-31g(d).gjf (generated)

000879325.b3lyp_6-31g(d).firefly.inp (generated)

000879325.b3lyp_6-31g(d).smash.inp (generated)

000879325.b3lyp_6-31g(d).nwchem.inp (generated) 000879325.b3lyp_6-31g(d).log.xz 000879325.td-b3lyp_6-31g+(d).inp 000879325.td-b3lyp_6-31g+(d).log.xz

000879325.td-b3lyp_6-31+g(d).qchem.inp (generated)

000879325.td-b3lyp_6-31+g(d).gjf (generated)

000879325.td-b3lyp_6-31+g(d).firefly.inp (generated)

000879325.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000879325.mol 000879325.PUBCHEM 000879325.mol (via Jmol)
000879343.b3lyp_6-31g(d).inp

000879343.b3lyp_6-31g(d).qchem.inp (generated)

000879343.b3lyp_6-31g(d).gjf (generated)

000879343.b3lyp_6-31g(d).firefly.inp (generated)

000879343.b3lyp_6-31g(d).smash.inp (generated)

000879343.b3lyp_6-31g(d).nwchem.inp (generated) 000879343.b3lyp_6-31g(d).log.xz 000879343.td-b3lyp_6-31g+(d).inp 000879343.td-b3lyp_6-31g+(d).log.xz

000879343.td-b3lyp_6-31+g(d).qchem.inp (generated)

000879343.td-b3lyp_6-31+g(d).gjf (generated)

000879343.td-b3lyp_6-31+g(d).firefly.inp (generated)

000879343.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000879343.mol 000879343.PUBCHEM 000879343.mol (via Jmol)
000879358.b3lyp_6-31g(d).inp

000879358.b3lyp_6-31g(d).qchem.inp (generated)

000879358.b3lyp_6-31g(d).gjf (generated)

000879358.b3lyp_6-31g(d).firefly.inp (generated)

000879358.b3lyp_6-31g(d).smash.inp (generated)

000879358.b3lyp_6-31g(d).nwchem.inp (generated) 000879358.b3lyp_6-31g(d).log.xz 000879358.td-b3lyp_6-31g+(d).inp 000879358.td-b3lyp_6-31g+(d).log.xz

000879358.td-b3lyp_6-31+g(d).qchem.inp (generated)

000879358.td-b3lyp_6-31+g(d).gjf (generated)

000879358.td-b3lyp_6-31+g(d).firefly.inp (generated)

000879358.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000879358.mol 000879358.PUBCHEM 000879358.mol (via Jmol)
000879359.b3lyp_6-31g(d).inp

000879359.b3lyp_6-31g(d).qchem.inp (generated)

000879359.b3lyp_6-31g(d).gjf (generated)

000879359.b3lyp_6-31g(d).firefly.inp (generated)

000879359.b3lyp_6-31g(d).smash.inp (generated)

000879359.b3lyp_6-31g(d).nwchem.inp (generated) 000879359.b3lyp_6-31g(d).log.xz 000879359.td-b3lyp_6-31g+(d).inp 000879359.td-b3lyp_6-31g+(d).log.xz

000879359.td-b3lyp_6-31+g(d).qchem.inp (generated)

000879359.td-b3lyp_6-31+g(d).gjf (generated)

000879359.td-b3lyp_6-31+g(d).firefly.inp (generated)

000879359.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000879359.mol 000879359.PUBCHEM 000879359.mol (via Jmol)
000879360.b3lyp_6-31g(d).inp

000879360.b3lyp_6-31g(d).qchem.inp (generated)

000879360.b3lyp_6-31g(d).gjf (generated)

000879360.b3lyp_6-31g(d).firefly.inp (generated)

000879360.b3lyp_6-31g(d).smash.inp (generated)

000879360.b3lyp_6-31g(d).nwchem.inp (generated) 000879360.b3lyp_6-31g(d).log.xz 000879360.td-b3lyp_6-31g+(d).inp 000879360.td-b3lyp_6-31g+(d).log.xz

000879360.td-b3lyp_6-31+g(d).qchem.inp (generated)

000879360.td-b3lyp_6-31+g(d).gjf (generated)

000879360.td-b3lyp_6-31+g(d).firefly.inp (generated)

000879360.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000879360.mol 000879360.PUBCHEM 000879360.mol (via Jmol)
000879361.b3lyp_6-31g(d).inp

000879361.b3lyp_6-31g(d).qchem.inp (generated)

000879361.b3lyp_6-31g(d).gjf (generated)

000879361.b3lyp_6-31g(d).firefly.inp (generated)

000879361.b3lyp_6-31g(d).smash.inp (generated)

000879361.b3lyp_6-31g(d).nwchem.inp (generated) 000879361.b3lyp_6-31g(d).log.xz 000879361.mol 000879361.PUBCHEM 000879361.mol (via Jmol)
000879366.b3lyp_6-31g(d).inp

000879366.b3lyp_6-31g(d).qchem.inp (generated)

000879366.b3lyp_6-31g(d).gjf (generated)

000879366.b3lyp_6-31g(d).firefly.inp (generated)

000879366.b3lyp_6-31g(d).smash.inp (generated)

000879366.b3lyp_6-31g(d).nwchem.inp (generated) 000879366.b3lyp_6-31g(d).log.xz 000879366.mol 000879366.PUBCHEM 000879366.mol (via Jmol)
000879372.b3lyp_6-31g(d).inp

000879372.b3lyp_6-31g(d).qchem.inp (generated)

000879372.b3lyp_6-31g(d).gjf (generated)

000879372.b3lyp_6-31g(d).firefly.inp (generated)

000879372.b3lyp_6-31g(d).smash.inp (generated)

000879372.b3lyp_6-31g(d).nwchem.inp (generated) 000879372.b3lyp_6-31g(d).log.xz 000879372.mol 000879372.PUBCHEM 000879372.mol (via Jmol)
000879394.b3lyp_6-31g(d).inp

000879394.b3lyp_6-31g(d).qchem.inp (generated)

000879394.b3lyp_6-31g(d).gjf (generated)

000879394.b3lyp_6-31g(d).firefly.inp (generated)

000879394.b3lyp_6-31g(d).smash.inp (generated)

000879394.b3lyp_6-31g(d).nwchem.inp (generated) 000879394.b3lyp_6-31g(d).log.xz 000879394.mol 000879394.PUBCHEM 000879394.mol (via Jmol)
000879433.b3lyp_6-31g(d).inp

000879433.b3lyp_6-31g(d).qchem.inp (generated)

000879433.b3lyp_6-31g(d).gjf (generated)

000879433.b3lyp_6-31g(d).firefly.inp (generated)

000879433.b3lyp_6-31g(d).smash.inp (generated)

000879433.b3lyp_6-31g(d).nwchem.inp (generated) 000879433.b3lyp_6-31g(d).log.xz 000879433.td-b3lyp_6-31g+(d).inp 000879433.td-b3lyp_6-31g+(d).log.xz

000879433.td-b3lyp_6-31+g(d).qchem.inp (generated)

000879433.td-b3lyp_6-31+g(d).gjf (generated)

000879433.td-b3lyp_6-31+g(d).firefly.inp (generated)

000879433.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000879433.mol 000879433.PUBCHEM 000879433.mol (via Jmol)
000879436.b3lyp_6-31g(d).inp

000879436.b3lyp_6-31g(d).qchem.inp (generated)

000879436.b3lyp_6-31g(d).gjf (generated)

000879436.b3lyp_6-31g(d).firefly.inp (generated)

000879436.b3lyp_6-31g(d).smash.inp (generated)

000879436.b3lyp_6-31g(d).nwchem.inp (generated) 000879436.b3lyp_6-31g(d).log.xz 000879436.td-b3lyp_6-31g+(d).inp 000879436.td-b3lyp_6-31g+(d).log.xz

000879436.td-b3lyp_6-31+g(d).qchem.inp (generated)

000879436.td-b3lyp_6-31+g(d).gjf (generated)

000879436.td-b3lyp_6-31+g(d).firefly.inp (generated)

000879436.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000879436.mol 000879436.PUBCHEM 000879436.mol (via Jmol)
000879437.b3lyp_6-31g(d).inp

000879437.b3lyp_6-31g(d).qchem.inp (generated)

000879437.b3lyp_6-31g(d).gjf (generated)

000879437.b3lyp_6-31g(d).firefly.inp (generated)

000879437.b3lyp_6-31g(d).smash.inp (generated)

000879437.b3lyp_6-31g(d).nwchem.inp (generated) 000879437.b3lyp_6-31g(d).log.xz 000879437.mol 000879437.PUBCHEM 000879437.mol (via Jmol)
000879441.b3lyp_6-31g(d).inp

000879441.b3lyp_6-31g(d).qchem.inp (generated)

000879441.b3lyp_6-31g(d).gjf (generated)

000879441.b3lyp_6-31g(d).firefly.inp (generated)

000879441.b3lyp_6-31g(d).smash.inp (generated)

000879441.b3lyp_6-31g(d).nwchem.inp (generated) 000879441.b3lyp_6-31g(d).log.xz 000879441.mol 000879441.PUBCHEM 000879441.mol (via Jmol)
000879447.b3lyp_6-31g(d).inp

000879447.b3lyp_6-31g(d).qchem.inp (generated)

000879447.b3lyp_6-31g(d).gjf (generated)

000879447.b3lyp_6-31g(d).firefly.inp (generated)

000879447.b3lyp_6-31g(d).smash.inp (generated)

000879447.b3lyp_6-31g(d).nwchem.inp (generated) 000879447.b3lyp_6-31g(d).log.xz 000879447.mol 000879447.PUBCHEM 000879447.mol (via Jmol)
000879463.b3lyp_6-31g(d).inp

000879463.b3lyp_6-31g(d).qchem.inp (generated)

000879463.b3lyp_6-31g(d).gjf (generated)

000879463.b3lyp_6-31g(d).firefly.inp (generated)

000879463.b3lyp_6-31g(d).smash.inp (generated)

000879463.b3lyp_6-31g(d).nwchem.inp (generated) 000879463.b3lyp_6-31g(d).log.xz 000879463.mol 000879463.PUBCHEM 000879463.mol (via Jmol)
000879475.b3lyp_6-31g(d).inp

000879475.b3lyp_6-31g(d).qchem.inp (generated)

000879475.b3lyp_6-31g(d).gjf (generated)

000879475.b3lyp_6-31g(d).firefly.inp (generated)

000879475.b3lyp_6-31g(d).smash.inp (generated)

000879475.b3lyp_6-31g(d).nwchem.inp (generated) 000879475.b3lyp_6-31g(d).log.xz 000879475.td-b3lyp_6-31g+(d).inp 000879475.td-b3lyp_6-31g+(d).log.xz

000879475.td-b3lyp_6-31+g(d).qchem.inp (generated)

000879475.td-b3lyp_6-31+g(d).gjf (generated)

000879475.td-b3lyp_6-31+g(d).firefly.inp (generated)

000879475.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000879475.mol 000879475.PUBCHEM 000879475.mol (via Jmol)
000879502.b3lyp_6-31g(d).inp

000879502.b3lyp_6-31g(d).qchem.inp (generated)

000879502.b3lyp_6-31g(d).gjf (generated)

000879502.b3lyp_6-31g(d).firefly.inp (generated)

000879502.b3lyp_6-31g(d).smash.inp (generated)

000879502.b3lyp_6-31g(d).nwchem.inp (generated) 000879502.b3lyp_6-31g(d).log.xz 000879502.td-b3lyp_6-31g+(d).inp 000879502.td-b3lyp_6-31g+(d).log.xz

000879502.td-b3lyp_6-31+g(d).qchem.inp (generated)

000879502.td-b3lyp_6-31+g(d).gjf (generated)

000879502.td-b3lyp_6-31+g(d).firefly.inp (generated)

000879502.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000879502.mol 000879502.PUBCHEM 000879502.mol (via Jmol)
000879505.b3lyp_6-31g(d).inp

000879505.b3lyp_6-31g(d).qchem.inp (generated)

000879505.b3lyp_6-31g(d).gjf (generated)

000879505.b3lyp_6-31g(d).firefly.inp (generated)

000879505.b3lyp_6-31g(d).smash.inp (generated)

000879505.b3lyp_6-31g(d).nwchem.inp (generated) 000879505.b3lyp_6-31g(d).log.xz 000879505.mol 000879505.PUBCHEM 000879505.mol (via Jmol)
000879516.b3lyp_6-31g(d).inp

000879516.b3lyp_6-31g(d).qchem.inp (generated)

000879516.b3lyp_6-31g(d).gjf (generated)

000879516.b3lyp_6-31g(d).firefly.inp (generated)

000879516.b3lyp_6-31g(d).smash.inp (generated)

000879516.b3lyp_6-31g(d).nwchem.inp (generated) 000879516.b3lyp_6-31g(d).log.xz 000879516.mol 000879516.PUBCHEM 000879516.mol (via Jmol)
000879527.b3lyp_6-31g(d).inp

000879527.b3lyp_6-31g(d).qchem.inp (generated)

000879527.b3lyp_6-31g(d).gjf (generated)

000879527.b3lyp_6-31g(d).firefly.inp (generated)

000879527.b3lyp_6-31g(d).smash.inp (generated)

000879527.b3lyp_6-31g(d).nwchem.inp (generated) 000879527.b3lyp_6-31g(d).log.xz 000879527.mol 000879527.PUBCHEM 000879527.mol (via Jmol)
000879545.b3lyp_6-31g(d).inp

000879545.b3lyp_6-31g(d).qchem.inp (generated)

000879545.b3lyp_6-31g(d).gjf (generated)

000879545.b3lyp_6-31g(d).firefly.inp (generated)

000879545.b3lyp_6-31g(d).smash.inp (generated)

000879545.b3lyp_6-31g(d).nwchem.inp (generated) 000879545.b3lyp_6-31g(d).log.xz 000879545.td-b3lyp_6-31g+(d).inp 000879545.td-b3lyp_6-31g+(d).log.xz

000879545.td-b3lyp_6-31+g(d).qchem.inp (generated)

000879545.td-b3lyp_6-31+g(d).gjf (generated)

000879545.td-b3lyp_6-31+g(d).firefly.inp (generated)

000879545.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000879545.mol 000879545.PUBCHEM 000879545.mol (via Jmol)
000879553.b3lyp_6-31g(d).inp

000879553.b3lyp_6-31g(d).qchem.inp (generated)

000879553.b3lyp_6-31g(d).gjf (generated)

000879553.b3lyp_6-31g(d).firefly.inp (generated)

000879553.b3lyp_6-31g(d).smash.inp (generated)

000879553.b3lyp_6-31g(d).nwchem.inp (generated) 000879553.b3lyp_6-31g(d).log.xz 000879553.td-b3lyp_6-31g+(d).inp 000879553.td-b3lyp_6-31g+(d).log.xz

000879553.td-b3lyp_6-31+g(d).qchem.inp (generated)

000879553.td-b3lyp_6-31+g(d).gjf (generated)

000879553.td-b3lyp_6-31+g(d).firefly.inp (generated)

000879553.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000879553.mol 000879553.PUBCHEM 000879553.mol (via Jmol)
000879590.b3lyp_6-31g(d).inp

000879590.b3lyp_6-31g(d).qchem.inp (generated)

000879590.b3lyp_6-31g(d).gjf (generated)

000879590.b3lyp_6-31g(d).firefly.inp (generated)

000879590.b3lyp_6-31g(d).smash.inp (generated)

000879590.b3lyp_6-31g(d).nwchem.inp (generated) 000879590.b3lyp_6-31g(d).log.xz 000879590.mol 000879590.PUBCHEM 000879590.mol (via Jmol)
000879612.b3lyp_6-31g(d).inp

000879612.b3lyp_6-31g(d).qchem.inp (generated)

000879612.b3lyp_6-31g(d).gjf (generated)

000879612.b3lyp_6-31g(d).firefly.inp (generated)

000879612.b3lyp_6-31g(d).smash.inp (generated)

000879612.b3lyp_6-31g(d).nwchem.inp (generated) 000879612.b3lyp_6-31g(d).log.xz 000879612.mol 000879612.PUBCHEM 000879612.mol (via Jmol)
000879621.b3lyp_6-31g(d).inp

000879621.b3lyp_6-31g(d).qchem.inp (generated)

000879621.b3lyp_6-31g(d).gjf (generated)

000879621.b3lyp_6-31g(d).firefly.inp (generated)

000879621.b3lyp_6-31g(d).smash.inp (generated)

000879621.b3lyp_6-31g(d).nwchem.inp (generated) 000879621.b3lyp_6-31g(d).log.xz 000879621.mol 000879621.PUBCHEM 000879621.mol (via Jmol)
000879622.b3lyp_6-31g(d).inp

000879622.b3lyp_6-31g(d).qchem.inp (generated)

000879622.b3lyp_6-31g(d).gjf (generated)

000879622.b3lyp_6-31g(d).firefly.inp (generated)

000879622.b3lyp_6-31g(d).smash.inp (generated)

000879622.b3lyp_6-31g(d).nwchem.inp (generated) 000879622.b3lyp_6-31g(d).log.xz 000879622.td-b3lyp_6-31g+(d).inp 000879622.td-b3lyp_6-31g+(d).log.xz

000879622.td-b3lyp_6-31+g(d).qchem.inp (generated)

000879622.td-b3lyp_6-31+g(d).gjf (generated)

000879622.td-b3lyp_6-31+g(d).firefly.inp (generated)

000879622.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000879622.mol 000879622.PUBCHEM 000879622.mol (via Jmol)
000879632.b3lyp_6-31g(d).inp

000879632.b3lyp_6-31g(d).qchem.inp (generated)

000879632.b3lyp_6-31g(d).gjf (generated)

000879632.b3lyp_6-31g(d).firefly.inp (generated)

000879632.b3lyp_6-31g(d).smash.inp (generated)

000879632.b3lyp_6-31g(d).nwchem.inp (generated) 000879632.b3lyp_6-31g(d).log.xz 000879632.td-b3lyp_6-31g+(d).inp 000879632.td-b3lyp_6-31g+(d).log.xz

000879632.td-b3lyp_6-31+g(d).qchem.inp (generated)

000879632.td-b3lyp_6-31+g(d).gjf (generated)

000879632.td-b3lyp_6-31+g(d).firefly.inp (generated)

000879632.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000879632.mol 000879632.PUBCHEM 000879632.mol (via Jmol)
000879635.b3lyp_6-31g(d).inp

000879635.b3lyp_6-31g(d).qchem.inp (generated)

000879635.b3lyp_6-31g(d).gjf (generated)

000879635.b3lyp_6-31g(d).firefly.inp (generated)

000879635.b3lyp_6-31g(d).smash.inp (generated)

000879635.b3lyp_6-31g(d).nwchem.inp (generated) 000879635.b3lyp_6-31g(d).log.xz 000879635.td-b3lyp_6-31g+(d).inp 000879635.td-b3lyp_6-31g+(d).log.xz

000879635.td-b3lyp_6-31+g(d).qchem.inp (generated)

000879635.td-b3lyp_6-31+g(d).gjf (generated)

000879635.td-b3lyp_6-31+g(d).firefly.inp (generated)

000879635.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000879635.mol 000879635.PUBCHEM 000879635.mol (via Jmol)
000879668.b3lyp_6-31g(d).inp

000879668.b3lyp_6-31g(d).qchem.inp (generated)

000879668.b3lyp_6-31g(d).gjf (generated)

000879668.b3lyp_6-31g(d).firefly.inp (generated)

000879668.b3lyp_6-31g(d).smash.inp (generated)

000879668.b3lyp_6-31g(d).nwchem.inp (generated) 000879668.b3lyp_6-31g(d).log.xz 000879668.td-b3lyp_6-31g+(d).inp 000879668.td-b3lyp_6-31g+(d).log.xz

000879668.td-b3lyp_6-31+g(d).qchem.inp (generated)

000879668.td-b3lyp_6-31+g(d).gjf (generated)

000879668.td-b3lyp_6-31+g(d).firefly.inp (generated)

000879668.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000879668.mol 000879668.PUBCHEM 000879668.mol (via Jmol)
000879691.b3lyp_6-31g(d).inp

000879691.b3lyp_6-31g(d).qchem.inp (generated)

000879691.b3lyp_6-31g(d).gjf (generated)

000879691.b3lyp_6-31g(d).firefly.inp (generated)

000879691.b3lyp_6-31g(d).smash.inp (generated)

000879691.b3lyp_6-31g(d).nwchem.inp (generated) 000879691.b3lyp_6-31g(d).log.xz 000879691.td-b3lyp_6-31g+(d).inp 000879691.td-b3lyp_6-31g+(d).log.xz

000879691.td-b3lyp_6-31+g(d).qchem.inp (generated)

000879691.td-b3lyp_6-31+g(d).gjf (generated)

000879691.td-b3lyp_6-31+g(d).firefly.inp (generated)

000879691.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000879691.mol 000879691.PUBCHEM 000879691.mol (via Jmol)
000879692.b3lyp_6-31g(d).inp

000879692.b3lyp_6-31g(d).qchem.inp (generated)

000879692.b3lyp_6-31g(d).gjf (generated)

000879692.b3lyp_6-31g(d).firefly.inp (generated)

000879692.b3lyp_6-31g(d).smash.inp (generated)

000879692.b3lyp_6-31g(d).nwchem.inp (generated) 000879692.b3lyp_6-31g(d).log.xz 000879692.td-b3lyp_6-31g+(d).inp 000879692.td-b3lyp_6-31g+(d).log.xz

000879692.td-b3lyp_6-31+g(d).qchem.inp (generated)

000879692.td-b3lyp_6-31+g(d).gjf (generated)

000879692.td-b3lyp_6-31+g(d).firefly.inp (generated)

000879692.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000879692.mol 000879692.PUBCHEM 000879692.mol (via Jmol)
000879726.b3lyp_6-31g(d).inp

000879726.b3lyp_6-31g(d).qchem.inp (generated)

000879726.b3lyp_6-31g(d).gjf (generated)

000879726.b3lyp_6-31g(d).firefly.inp (generated)

000879726.b3lyp_6-31g(d).smash.inp (generated)

000879726.b3lyp_6-31g(d).nwchem.inp (generated) 000879726.b3lyp_6-31g(d).log.xz 000879726.mol 000879726.PUBCHEM 000879726.mol (via Jmol)
000879728.b3lyp_6-31g(d).inp

000879728.b3lyp_6-31g(d).qchem.inp (generated)

000879728.b3lyp_6-31g(d).gjf (generated)

000879728.b3lyp_6-31g(d).firefly.inp (generated)

000879728.b3lyp_6-31g(d).smash.inp (generated)

000879728.b3lyp_6-31g(d).nwchem.inp (generated) 000879728.b3lyp_6-31g(d).log.xz 000879728.td-b3lyp_6-31g+(d).inp 000879728.td-b3lyp_6-31g+(d).log.xz

000879728.td-b3lyp_6-31+g(d).qchem.inp (generated)

000879728.td-b3lyp_6-31+g(d).gjf (generated)

000879728.td-b3lyp_6-31+g(d).firefly.inp (generated)

000879728.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000879728.mol 000879728.PUBCHEM 000879728.mol (via Jmol)
000879738.b3lyp_6-31g(d).inp

000879738.b3lyp_6-31g(d).qchem.inp (generated)

000879738.b3lyp_6-31g(d).gjf (generated)

000879738.b3lyp_6-31g(d).firefly.inp (generated)

000879738.b3lyp_6-31g(d).smash.inp (generated)

000879738.b3lyp_6-31g(d).nwchem.inp (generated) 000879738.b3lyp_6-31g(d).log.xz 000879738.td-b3lyp_6-31g+(d).inp 000879738.td-b3lyp_6-31g+(d).log.xz

000879738.td-b3lyp_6-31+g(d).qchem.inp (generated)

000879738.td-b3lyp_6-31+g(d).gjf (generated)

000879738.td-b3lyp_6-31+g(d).firefly.inp (generated)

000879738.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000879738.mol 000879738.PUBCHEM 000879738.mol (via Jmol)
000879785.b3lyp_6-31g(d).inp

000879785.b3lyp_6-31g(d).qchem.inp (generated)

000879785.b3lyp_6-31g(d).gjf (generated)

000879785.b3lyp_6-31g(d).firefly.inp (generated)

000879785.b3lyp_6-31g(d).smash.inp (generated)

000879785.b3lyp_6-31g(d).nwchem.inp (generated) 000879785.b3lyp_6-31g(d).log.xz 000879785.mol 000879785.PUBCHEM 000879785.mol (via Jmol)
000879806.b3lyp_6-31g(d).inp

000879806.b3lyp_6-31g(d).qchem.inp (generated)

000879806.b3lyp_6-31g(d).gjf (generated)

000879806.b3lyp_6-31g(d).firefly.inp (generated)

000879806.b3lyp_6-31g(d).smash.inp (generated)

000879806.b3lyp_6-31g(d).nwchem.inp (generated) 000879806.b3lyp_6-31g(d).log.xz 000879806.mol 000879806.PUBCHEM 000879806.mol (via Jmol)
000879813.b3lyp_6-31g(d).inp

000879813.b3lyp_6-31g(d).qchem.inp (generated)

000879813.b3lyp_6-31g(d).gjf (generated)

000879813.b3lyp_6-31g(d).firefly.inp (generated)

000879813.b3lyp_6-31g(d).smash.inp (generated)

000879813.b3lyp_6-31g(d).nwchem.inp (generated) 000879813.b3lyp_6-31g(d).log.xz 000879813.td-b3lyp_6-31g+(d).inp 000879813.td-b3lyp_6-31g+(d).log.xz

000879813.td-b3lyp_6-31+g(d).qchem.inp (generated)

000879813.td-b3lyp_6-31+g(d).gjf (generated)

000879813.td-b3lyp_6-31+g(d).firefly.inp (generated)

000879813.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000879813.mol 000879813.PUBCHEM 000879813.mol (via Jmol)
000879875.b3lyp_6-31g(d).inp

000879875.b3lyp_6-31g(d).qchem.inp (generated)

000879875.b3lyp_6-31g(d).gjf (generated)

000879875.b3lyp_6-31g(d).firefly.inp (generated)

000879875.b3lyp_6-31g(d).smash.inp (generated)

000879875.b3lyp_6-31g(d).nwchem.inp (generated) 000879875.b3lyp_6-31g(d).log.xz 000879875.td-b3lyp_6-31g+(d).inp 000879875.td-b3lyp_6-31g+(d).log.xz

000879875.td-b3lyp_6-31+g(d).qchem.inp (generated)

000879875.td-b3lyp_6-31+g(d).gjf (generated)

000879875.td-b3lyp_6-31+g(d).firefly.inp (generated)

000879875.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000879875.mol 000879875.PUBCHEM 000879875.mol (via Jmol)
000879882.b3lyp_6-31g(d).inp

000879882.b3lyp_6-31g(d).qchem.inp (generated)

000879882.b3lyp_6-31g(d).gjf (generated)

000879882.b3lyp_6-31g(d).firefly.inp (generated)

000879882.b3lyp_6-31g(d).smash.inp (generated)

000879882.b3lyp_6-31g(d).nwchem.inp (generated) 000879882.b3lyp_6-31g(d).log.xz 000879882.td-b3lyp_6-31g+(d).inp 000879882.td-b3lyp_6-31g+(d).log.xz

000879882.td-b3lyp_6-31+g(d).qchem.inp (generated)

000879882.td-b3lyp_6-31+g(d).gjf (generated)

000879882.td-b3lyp_6-31+g(d).firefly.inp (generated)

000879882.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000879882.mol 000879882.PUBCHEM 000879882.mol (via Jmol)
000879883.b3lyp_6-31g(d).inp

000879883.b3lyp_6-31g(d).qchem.inp (generated)

000879883.b3lyp_6-31g(d).gjf (generated)

000879883.b3lyp_6-31g(d).firefly.inp (generated)

000879883.b3lyp_6-31g(d).smash.inp (generated)

000879883.b3lyp_6-31g(d).nwchem.inp (generated) 000879883.b3lyp_6-31g(d).log.xz 000879883.td-b3lyp_6-31g+(d).inp 000879883.td-b3lyp_6-31g+(d).log.xz

000879883.td-b3lyp_6-31+g(d).qchem.inp (generated)

000879883.td-b3lyp_6-31+g(d).gjf (generated)

000879883.td-b3lyp_6-31+g(d).firefly.inp (generated)

000879883.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000879883.mol 000879883.PUBCHEM 000879883.mol (via Jmol)
000879892.b3lyp_6-31g(d).inp

000879892.b3lyp_6-31g(d).qchem.inp (generated)

000879892.b3lyp_6-31g(d).gjf (generated)

000879892.b3lyp_6-31g(d).firefly.inp (generated)

000879892.b3lyp_6-31g(d).smash.inp (generated)

000879892.b3lyp_6-31g(d).nwchem.inp (generated) 000879892.b3lyp_6-31g(d).log.xz 000879892.td-b3lyp_6-31g+(d).inp 000879892.td-b3lyp_6-31g+(d).log.xz

000879892.td-b3lyp_6-31+g(d).qchem.inp (generated)

000879892.td-b3lyp_6-31+g(d).gjf (generated)

000879892.td-b3lyp_6-31+g(d).firefly.inp (generated)

000879892.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000879892.mol 000879892.PUBCHEM 000879892.mol (via Jmol)
000879893.b3lyp_6-31g(d).inp

000879893.b3lyp_6-31g(d).qchem.inp (generated)

000879893.b3lyp_6-31g(d).gjf (generated)

000879893.b3lyp_6-31g(d).firefly.inp (generated)

000879893.b3lyp_6-31g(d).smash.inp (generated)

000879893.b3lyp_6-31g(d).nwchem.inp (generated) 000879893.b3lyp_6-31g(d).log.xz 000879893.td-b3lyp_6-31g+(d).inp 000879893.td-b3lyp_6-31g+(d).log.xz

000879893.td-b3lyp_6-31+g(d).qchem.inp (generated)

000879893.td-b3lyp_6-31+g(d).gjf (generated)

000879893.td-b3lyp_6-31+g(d).firefly.inp (generated)

000879893.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000879893.mol 000879893.PUBCHEM 000879893.mol (via Jmol)
000879951.b3lyp_6-31g(d).inp

000879951.b3lyp_6-31g(d).qchem.inp (generated)

000879951.b3lyp_6-31g(d).gjf (generated)

000879951.b3lyp_6-31g(d).firefly.inp (generated)

000879951.b3lyp_6-31g(d).smash.inp (generated)

000879951.b3lyp_6-31g(d).nwchem.inp (generated) 000879951.b3lyp_6-31g(d).log.xz 000879951.td-b3lyp_6-31g+(d).inp 000879951.td-b3lyp_6-31g+(d).log.xz

000879951.td-b3lyp_6-31+g(d).qchem.inp (generated)

000879951.td-b3lyp_6-31+g(d).gjf (generated)

000879951.td-b3lyp_6-31+g(d).firefly.inp (generated)

000879951.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000879951.mol 000879951.PUBCHEM 000879951.mol (via Jmol)
000879986.b3lyp_6-31g(d).inp

000879986.b3lyp_6-31g(d).qchem.inp (generated)

000879986.b3lyp_6-31g(d).gjf (generated)

000879986.b3lyp_6-31g(d).firefly.inp (generated)

000879986.b3lyp_6-31g(d).smash.inp (generated)

000879986.b3lyp_6-31g(d).nwchem.inp (generated) 000879986.b3lyp_6-31g(d).log.xz 000879986.td-b3lyp_6-31g+(d).inp 000879986.td-b3lyp_6-31g+(d).log.xz

000879986.td-b3lyp_6-31+g(d).qchem.inp (generated)

000879986.td-b3lyp_6-31+g(d).gjf (generated)

000879986.td-b3lyp_6-31+g(d).firefly.inp (generated)

000879986.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000879986.mol 000879986.PUBCHEM 000879986.mol (via Jmol)
000880001.b3lyp_6-31g(d).inp

000880001.b3lyp_6-31g(d).qchem.inp (generated)

000880001.b3lyp_6-31g(d).gjf (generated)

000880001.b3lyp_6-31g(d).firefly.inp (generated)

000880001.b3lyp_6-31g(d).smash.inp (generated)

000880001.b3lyp_6-31g(d).nwchem.inp (generated) 000880001.b3lyp_6-31g(d).log.xz 000880001.td-b3lyp_6-31g+(d).inp 000880001.td-b3lyp_6-31g+(d).log.xz

000880001.td-b3lyp_6-31+g(d).qchem.inp (generated)

000880001.td-b3lyp_6-31+g(d).gjf (generated)

000880001.td-b3lyp_6-31+g(d).firefly.inp (generated)

000880001.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000880001.mol 000880001.PUBCHEM 000880001.mol (via Jmol)
000880002.b3lyp_6-31g(d).inp

000880002.b3lyp_6-31g(d).qchem.inp (generated)

000880002.b3lyp_6-31g(d).gjf (generated)

000880002.b3lyp_6-31g(d).firefly.inp (generated)

000880002.b3lyp_6-31g(d).smash.inp (generated)

000880002.b3lyp_6-31g(d).nwchem.inp (generated) 000880002.b3lyp_6-31g(d).log.xz 000880002.td-b3lyp_6-31g+(d).inp 000880002.td-b3lyp_6-31g+(d).log.xz

000880002.td-b3lyp_6-31+g(d).qchem.inp (generated)

000880002.td-b3lyp_6-31+g(d).gjf (generated)

000880002.td-b3lyp_6-31+g(d).firefly.inp (generated)

000880002.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000880002.mol 000880002.PUBCHEM 000880002.mol (via Jmol)
000880016.b3lyp_6-31g(d).inp

000880016.b3lyp_6-31g(d).qchem.inp (generated)

000880016.b3lyp_6-31g(d).gjf (generated)

000880016.b3lyp_6-31g(d).firefly.inp (generated)

000880016.b3lyp_6-31g(d).smash.inp (generated)

000880016.b3lyp_6-31g(d).nwchem.inp (generated) 000880016.b3lyp_6-31g(d).log.xz 000880016.mol 000880016.PUBCHEM 000880016.mol (via Jmol)
000880017.b3lyp_6-31g(d).inp

000880017.b3lyp_6-31g(d).qchem.inp (generated)

000880017.b3lyp_6-31g(d).gjf (generated)

000880017.b3lyp_6-31g(d).firefly.inp (generated)

000880017.b3lyp_6-31g(d).smash.inp (generated)

000880017.b3lyp_6-31g(d).nwchem.inp (generated) 000880017.b3lyp_6-31g(d).log.xz 000880017.mol 000880017.PUBCHEM 000880017.mol (via Jmol)
000880019.b3lyp_6-31g(d).inp

000880019.b3lyp_6-31g(d).qchem.inp (generated)

000880019.b3lyp_6-31g(d).gjf (generated)

000880019.b3lyp_6-31g(d).firefly.inp (generated)

000880019.b3lyp_6-31g(d).smash.inp (generated)

000880019.b3lyp_6-31g(d).nwchem.inp (generated) 000880019.b3lyp_6-31g(d).log.xz 000880019.td-b3lyp_6-31g+(d).inp 000880019.td-b3lyp_6-31g+(d).log.xz

000880019.td-b3lyp_6-31+g(d).qchem.inp (generated)

000880019.td-b3lyp_6-31+g(d).gjf (generated)

000880019.td-b3lyp_6-31+g(d).firefly.inp (generated)

000880019.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000880019.mol 000880019.PUBCHEM 000880019.mol (via Jmol)
000880031.b3lyp_6-31g(d).inp

000880031.b3lyp_6-31g(d).qchem.inp (generated)

000880031.b3lyp_6-31g(d).gjf (generated)

000880031.b3lyp_6-31g(d).firefly.inp (generated)

000880031.b3lyp_6-31g(d).smash.inp (generated)

000880031.b3lyp_6-31g(d).nwchem.inp (generated) 000880031.b3lyp_6-31g(d).log.xz 000880031.mol 000880031.PUBCHEM 000880031.mol (via Jmol)
000880051.b3lyp_6-31g(d).inp

000880051.b3lyp_6-31g(d).qchem.inp (generated)

000880051.b3lyp_6-31g(d).gjf (generated)

000880051.b3lyp_6-31g(d).firefly.inp (generated)

000880051.b3lyp_6-31g(d).smash.inp (generated)

000880051.b3lyp_6-31g(d).nwchem.inp (generated) 000880051.b3lyp_6-31g(d).log.xz 000880051.mol 000880051.PUBCHEM 000880051.mol (via Jmol)
000880070.b3lyp_6-31g(d).inp

000880070.b3lyp_6-31g(d).qchem.inp (generated)

000880070.b3lyp_6-31g(d).gjf (generated)

000880070.b3lyp_6-31g(d).firefly.inp (generated)

000880070.b3lyp_6-31g(d).smash.inp (generated)

000880070.b3lyp_6-31g(d).nwchem.inp (generated) 000880070.b3lyp_6-31g(d).log.xz 000880070.td-b3lyp_6-31g+(d).inp 000880070.td-b3lyp_6-31g+(d).log.xz

000880070.td-b3lyp_6-31+g(d).qchem.inp (generated)

000880070.td-b3lyp_6-31+g(d).gjf (generated)

000880070.td-b3lyp_6-31+g(d).firefly.inp (generated)

000880070.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000880070.mol 000880070.PUBCHEM 000880070.mol (via Jmol)
000880072.b3lyp_6-31g(d).inp

000880072.b3lyp_6-31g(d).qchem.inp (generated)

000880072.b3lyp_6-31g(d).gjf (generated)

000880072.b3lyp_6-31g(d).firefly.inp (generated)

000880072.b3lyp_6-31g(d).smash.inp (generated)

000880072.b3lyp_6-31g(d).nwchem.inp (generated) 000880072.b3lyp_6-31g(d).log.xz 000880072.td-b3lyp_6-31g+(d).inp 000880072.td-b3lyp_6-31g+(d).log.xz

000880072.td-b3lyp_6-31+g(d).qchem.inp (generated)

000880072.td-b3lyp_6-31+g(d).gjf (generated)

000880072.td-b3lyp_6-31+g(d).firefly.inp (generated)

000880072.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000880072.mol 000880072.PUBCHEM 000880072.mol (via Jmol)
000880074.b3lyp_6-31g(d).inp

000880074.b3lyp_6-31g(d).qchem.inp (generated)

000880074.b3lyp_6-31g(d).gjf (generated)

000880074.b3lyp_6-31g(d).firefly.inp (generated)

000880074.b3lyp_6-31g(d).smash.inp (generated)

000880074.b3lyp_6-31g(d).nwchem.inp (generated) 000880074.b3lyp_6-31g(d).log.xz 000880074.td-b3lyp_6-31g+(d).inp 000880074.td-b3lyp_6-31g+(d).log.xz

000880074.td-b3lyp_6-31+g(d).qchem.inp (generated)

000880074.td-b3lyp_6-31+g(d).gjf (generated)

000880074.td-b3lyp_6-31+g(d).firefly.inp (generated)

000880074.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000880074.mol 000880074.PUBCHEM 000880074.mol (via Jmol)
000880114.b3lyp_6-31g(d).inp

000880114.b3lyp_6-31g(d).qchem.inp (generated)

000880114.b3lyp_6-31g(d).gjf (generated)

000880114.b3lyp_6-31g(d).firefly.inp (generated)

000880114.b3lyp_6-31g(d).smash.inp (generated)

000880114.b3lyp_6-31g(d).nwchem.inp (generated) 000880114.b3lyp_6-31g(d).log.xz 000880114.mol 000880114.PUBCHEM 000880114.mol (via Jmol)
000880158.b3lyp_6-31g(d).inp

000880158.b3lyp_6-31g(d).qchem.inp (generated)

000880158.b3lyp_6-31g(d).gjf (generated)

000880158.b3lyp_6-31g(d).firefly.inp (generated)

000880158.b3lyp_6-31g(d).smash.inp (generated)

000880158.b3lyp_6-31g(d).nwchem.inp (generated) 000880158.b3lyp_6-31g(d).log.xz 000880158.td-b3lyp_6-31g+(d).inp 000880158.td-b3lyp_6-31g+(d).log.xz

000880158.td-b3lyp_6-31+g(d).qchem.inp (generated)

000880158.td-b3lyp_6-31+g(d).gjf (generated)

000880158.td-b3lyp_6-31+g(d).firefly.inp (generated)

000880158.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000880158.mol 000880158.PUBCHEM 000880158.mol (via Jmol)
000880161.b3lyp_6-31g(d).inp

000880161.b3lyp_6-31g(d).qchem.inp (generated)

000880161.b3lyp_6-31g(d).gjf (generated)

000880161.b3lyp_6-31g(d).firefly.inp (generated)

000880161.b3lyp_6-31g(d).smash.inp (generated)

000880161.b3lyp_6-31g(d).nwchem.inp (generated) 000880161.b3lyp_6-31g(d).log.xz 000880161.td-b3lyp_6-31g+(d).inp 000880161.td-b3lyp_6-31g+(d).log.xz

000880161.td-b3lyp_6-31+g(d).qchem.inp (generated)

000880161.td-b3lyp_6-31+g(d).gjf (generated)

000880161.td-b3lyp_6-31+g(d).firefly.inp (generated)

000880161.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000880161.mol 000880161.PUBCHEM 000880161.mol (via Jmol)
000880178.b3lyp_6-31g(d).inp

000880178.b3lyp_6-31g(d).qchem.inp (generated)

000880178.b3lyp_6-31g(d).gjf (generated)

000880178.b3lyp_6-31g(d).firefly.inp (generated)

000880178.b3lyp_6-31g(d).smash.inp (generated)

000880178.b3lyp_6-31g(d).nwchem.inp (generated) 000880178.b3lyp_6-31g(d).log.xz 000880178.mol 000880178.PUBCHEM 000880178.mol (via Jmol)
000880187.b3lyp_6-31g(d).inp

000880187.b3lyp_6-31g(d).qchem.inp (generated)

000880187.b3lyp_6-31g(d).gjf (generated)

000880187.b3lyp_6-31g(d).firefly.inp (generated)

000880187.b3lyp_6-31g(d).smash.inp (generated)

000880187.b3lyp_6-31g(d).nwchem.inp (generated) 000880187.b3lyp_6-31g(d).log.xz 000880187.td-b3lyp_6-31g+(d).inp 000880187.td-b3lyp_6-31g+(d).log.xz

000880187.td-b3lyp_6-31+g(d).qchem.inp (generated)

000880187.td-b3lyp_6-31+g(d).gjf (generated)

000880187.td-b3lyp_6-31+g(d).firefly.inp (generated)

000880187.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000880187.mol 000880187.PUBCHEM 000880187.mol (via Jmol)
000880242.b3lyp_6-31g(d).inp

000880242.b3lyp_6-31g(d).qchem.inp (generated)

000880242.b3lyp_6-31g(d).gjf (generated)

000880242.b3lyp_6-31g(d).firefly.inp (generated)

000880242.b3lyp_6-31g(d).smash.inp (generated)

000880242.b3lyp_6-31g(d).nwchem.inp (generated) 000880242.b3lyp_6-31g(d).log.xz 000880242.td-b3lyp_6-31g+(d).inp 000880242.td-b3lyp_6-31g+(d).log.xz

000880242.td-b3lyp_6-31+g(d).qchem.inp (generated)

000880242.td-b3lyp_6-31+g(d).gjf (generated)

000880242.td-b3lyp_6-31+g(d).firefly.inp (generated)

000880242.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000880242.mol 000880242.PUBCHEM 000880242.mol (via Jmol)
000880252.b3lyp_6-31g(d).inp

000880252.b3lyp_6-31g(d).qchem.inp (generated)

000880252.b3lyp_6-31g(d).gjf (generated)

000880252.b3lyp_6-31g(d).firefly.inp (generated)

000880252.b3lyp_6-31g(d).smash.inp (generated)

000880252.b3lyp_6-31g(d).nwchem.inp (generated) 000880252.b3lyp_6-31g(d).log.xz 000880252.td-b3lyp_6-31g+(d).inp 000880252.td-b3lyp_6-31g+(d).log.xz

000880252.td-b3lyp_6-31+g(d).qchem.inp (generated)

000880252.td-b3lyp_6-31+g(d).gjf (generated)

000880252.td-b3lyp_6-31+g(d).firefly.inp (generated)

000880252.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000880252.mol 000880252.PUBCHEM 000880252.mol (via Jmol)
000880269.b3lyp_6-31g(d).inp

000880269.b3lyp_6-31g(d).qchem.inp (generated)

000880269.b3lyp_6-31g(d).gjf (generated)

000880269.b3lyp_6-31g(d).firefly.inp (generated)

000880269.b3lyp_6-31g(d).smash.inp (generated)

000880269.b3lyp_6-31g(d).nwchem.inp (generated) 000880269.b3lyp_6-31g(d).log.xz 000880269.mol 000880269.PUBCHEM 000880269.mol (via Jmol)
000880295.b3lyp_6-31g(d).inp

000880295.b3lyp_6-31g(d).qchem.inp (generated)

000880295.b3lyp_6-31g(d).gjf (generated)

000880295.b3lyp_6-31g(d).firefly.inp (generated)

000880295.b3lyp_6-31g(d).smash.inp (generated)

000880295.b3lyp_6-31g(d).nwchem.inp (generated) 000880295.b3lyp_6-31g(d).log.xz 000880295.td-b3lyp_6-31g+(d).inp 000880295.td-b3lyp_6-31g+(d).log.xz

000880295.td-b3lyp_6-31+g(d).qchem.inp (generated)

000880295.td-b3lyp_6-31+g(d).gjf (generated)

000880295.td-b3lyp_6-31+g(d).firefly.inp (generated)

000880295.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000880295.mol 000880295.PUBCHEM 000880295.mol (via Jmol)
000880436.b3lyp_6-31g(d).inp

000880436.b3lyp_6-31g(d).qchem.inp (generated)

000880436.b3lyp_6-31g(d).gjf (generated)

000880436.b3lyp_6-31g(d).firefly.inp (generated)

000880436.b3lyp_6-31g(d).smash.inp (generated)

000880436.b3lyp_6-31g(d).nwchem.inp (generated) 000880436.b3lyp_6-31g(d).log.xz 000880436.td-b3lyp_6-31g+(d).inp 000880436.td-b3lyp_6-31g+(d).log.xz

000880436.td-b3lyp_6-31+g(d).qchem.inp (generated)

000880436.td-b3lyp_6-31+g(d).gjf (generated)

000880436.td-b3lyp_6-31+g(d).firefly.inp (generated)

000880436.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000880436.mol 000880436.PUBCHEM 000880436.mol (via Jmol)
000880549.b3lyp_6-31g(d).inp

000880549.b3lyp_6-31g(d).qchem.inp (generated)

000880549.b3lyp_6-31g(d).gjf (generated)

000880549.b3lyp_6-31g(d).firefly.inp (generated)

000880549.b3lyp_6-31g(d).smash.inp (generated)

000880549.b3lyp_6-31g(d).nwchem.inp (generated) 000880549.b3lyp_6-31g(d).log.xz 000880549.td-b3lyp_6-31g+(d).inp 000880549.td-b3lyp_6-31g+(d).log.xz

000880549.td-b3lyp_6-31+g(d).qchem.inp (generated)

000880549.td-b3lyp_6-31+g(d).gjf (generated)

000880549.td-b3lyp_6-31+g(d).firefly.inp (generated)

000880549.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000880549.mol 000880549.PUBCHEM 000880549.mol (via Jmol)
000880574.b3lyp_6-31g(d).inp

000880574.b3lyp_6-31g(d).qchem.inp (generated)

000880574.b3lyp_6-31g(d).gjf (generated)

000880574.b3lyp_6-31g(d).firefly.inp (generated)

000880574.b3lyp_6-31g(d).smash.inp (generated)

000880574.b3lyp_6-31g(d).nwchem.inp (generated) 000880574.b3lyp_6-31g(d).log.xz 000880574.td-b3lyp_6-31g+(d).inp 000880574.td-b3lyp_6-31g+(d).log.xz

000880574.td-b3lyp_6-31+g(d).qchem.inp (generated)

000880574.td-b3lyp_6-31+g(d).gjf (generated)

000880574.td-b3lyp_6-31+g(d).firefly.inp (generated)

000880574.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000880574.mol 000880574.PUBCHEM 000880574.mol (via Jmol)
000880594.b3lyp_6-31g(d).inp

000880594.b3lyp_6-31g(d).qchem.inp (generated)

000880594.b3lyp_6-31g(d).gjf (generated)

000880594.b3lyp_6-31g(d).firefly.inp (generated)

000880594.b3lyp_6-31g(d).smash.inp (generated)

000880594.b3lyp_6-31g(d).nwchem.inp (generated) 000880594.b3lyp_6-31g(d).log.xz 000880594.td-b3lyp_6-31g+(d).inp 000880594.td-b3lyp_6-31g+(d).log.xz

000880594.td-b3lyp_6-31+g(d).qchem.inp (generated)

000880594.td-b3lyp_6-31+g(d).gjf (generated)

000880594.td-b3lyp_6-31+g(d).firefly.inp (generated)

000880594.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000880594.mol 000880594.PUBCHEM 000880594.mol (via Jmol)
000880595.b3lyp_6-31g(d).inp

000880595.b3lyp_6-31g(d).qchem.inp (generated)

000880595.b3lyp_6-31g(d).gjf (generated)

000880595.b3lyp_6-31g(d).firefly.inp (generated)

000880595.b3lyp_6-31g(d).smash.inp (generated)

000880595.b3lyp_6-31g(d).nwchem.inp (generated) 000880595.b3lyp_6-31g(d).log.xz 000880595.td-b3lyp_6-31g+(d).inp 000880595.td-b3lyp_6-31g+(d).log.xz

000880595.td-b3lyp_6-31+g(d).qchem.inp (generated)

000880595.td-b3lyp_6-31+g(d).gjf (generated)

000880595.td-b3lyp_6-31+g(d).firefly.inp (generated)

000880595.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000880595.mol 000880595.PUBCHEM 000880595.mol (via Jmol)
000880671.b3lyp_6-31g(d).inp

000880671.b3lyp_6-31g(d).qchem.inp (generated)

000880671.b3lyp_6-31g(d).gjf (generated)

000880671.b3lyp_6-31g(d).firefly.inp (generated)

000880671.b3lyp_6-31g(d).smash.inp (generated)

000880671.b3lyp_6-31g(d).nwchem.inp (generated) 000880671.b3lyp_6-31g(d).log.xz 000880671.td-b3lyp_6-31g+(d).inp 000880671.td-b3lyp_6-31g+(d).log.xz

000880671.td-b3lyp_6-31+g(d).qchem.inp (generated)

000880671.td-b3lyp_6-31+g(d).gjf (generated)

000880671.td-b3lyp_6-31+g(d).firefly.inp (generated)

000880671.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000880671.mol 000880671.PUBCHEM 000880671.mol (via Jmol)
000880729.b3lyp_6-31g(d).inp

000880729.b3lyp_6-31g(d).qchem.inp (generated)

000880729.b3lyp_6-31g(d).gjf (generated)

000880729.b3lyp_6-31g(d).firefly.inp (generated)

000880729.b3lyp_6-31g(d).smash.inp (generated)

000880729.b3lyp_6-31g(d).nwchem.inp (generated) 000880729.b3lyp_6-31g(d).log.xz 000880729.td-b3lyp_6-31g+(d).inp 000880729.td-b3lyp_6-31g+(d).log.xz

000880729.td-b3lyp_6-31+g(d).qchem.inp (generated)

000880729.td-b3lyp_6-31+g(d).gjf (generated)

000880729.td-b3lyp_6-31+g(d).firefly.inp (generated)

000880729.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000880729.mol 000880729.PUBCHEM 000880729.mol (via Jmol)
000880862.b3lyp_6-31g(d).inp

000880862.b3lyp_6-31g(d).qchem.inp (generated)

000880862.b3lyp_6-31g(d).gjf (generated)

000880862.b3lyp_6-31g(d).firefly.inp (generated)

000880862.b3lyp_6-31g(d).smash.inp (generated)

000880862.b3lyp_6-31g(d).nwchem.inp (generated) 000880862.b3lyp_6-31g(d).log.xz 000880862.td-b3lyp_6-31g+(d).inp 000880862.td-b3lyp_6-31g+(d).log.xz

000880862.td-b3lyp_6-31+g(d).qchem.inp (generated)

000880862.td-b3lyp_6-31+g(d).gjf (generated)

000880862.td-b3lyp_6-31+g(d).firefly.inp (generated)

000880862.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000880862.mol 000880862.PUBCHEM 000880862.mol (via Jmol)
000880865.b3lyp_6-31g(d).inp

000880865.b3lyp_6-31g(d).qchem.inp (generated)

000880865.b3lyp_6-31g(d).gjf (generated)

000880865.b3lyp_6-31g(d).firefly.inp (generated)

000880865.b3lyp_6-31g(d).smash.inp (generated)

000880865.b3lyp_6-31g(d).nwchem.inp (generated) 000880865.b3lyp_6-31g(d).log.xz 000880865.mol 000880865.PUBCHEM 000880865.mol (via Jmol)
000880871.b3lyp_6-31g(d).inp

000880871.b3lyp_6-31g(d).qchem.inp (generated)

000880871.b3lyp_6-31g(d).gjf (generated)

000880871.b3lyp_6-31g(d).firefly.inp (generated)

000880871.b3lyp_6-31g(d).smash.inp (generated)

000880871.b3lyp_6-31g(d).nwchem.inp (generated) 000880871.b3lyp_6-31g(d).log.xz 000880871.mol 000880871.PUBCHEM 000880871.mol (via Jmol)
000880894.b3lyp_6-31g(d).inp

000880894.b3lyp_6-31g(d).qchem.inp (generated)

000880894.b3lyp_6-31g(d).gjf (generated)

000880894.b3lyp_6-31g(d).firefly.inp (generated)

000880894.b3lyp_6-31g(d).smash.inp (generated)

000880894.b3lyp_6-31g(d).nwchem.inp (generated) 000880894.b3lyp_6-31g(d).log.xz 000880894.td-b3lyp_6-31g+(d).inp 000880894.td-b3lyp_6-31g+(d).log.xz

000880894.td-b3lyp_6-31+g(d).qchem.inp (generated)

000880894.td-b3lyp_6-31+g(d).gjf (generated)

000880894.td-b3lyp_6-31+g(d).firefly.inp (generated)

000880894.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000880894.mol 000880894.PUBCHEM 000880894.mol (via Jmol)
000880895.b3lyp_6-31g(d).inp

000880895.b3lyp_6-31g(d).qchem.inp (generated)

000880895.b3lyp_6-31g(d).gjf (generated)

000880895.b3lyp_6-31g(d).firefly.inp (generated)

000880895.b3lyp_6-31g(d).smash.inp (generated)

000880895.b3lyp_6-31g(d).nwchem.inp (generated) 000880895.b3lyp_6-31g(d).log.xz 000880895.td-b3lyp_6-31g+(d).inp 000880895.td-b3lyp_6-31g+(d).log.xz

000880895.td-b3lyp_6-31+g(d).qchem.inp (generated)

000880895.td-b3lyp_6-31+g(d).gjf (generated)

000880895.td-b3lyp_6-31+g(d).firefly.inp (generated)

000880895.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000880895.mol 000880895.PUBCHEM 000880895.mol (via Jmol)
000880904.b3lyp_6-31g(d).inp

000880904.b3lyp_6-31g(d).qchem.inp (generated)

000880904.b3lyp_6-31g(d).gjf (generated)

000880904.b3lyp_6-31g(d).firefly.inp (generated)

000880904.b3lyp_6-31g(d).smash.inp (generated)

000880904.b3lyp_6-31g(d).nwchem.inp (generated) 000880904.b3lyp_6-31g(d).log.xz 000880904.mol 000880904.PUBCHEM 000880904.mol (via Jmol)
000880907.b3lyp_6-31g(d).inp

000880907.b3lyp_6-31g(d).qchem.inp (generated)

000880907.b3lyp_6-31g(d).gjf (generated)

000880907.b3lyp_6-31g(d).firefly.inp (generated)

000880907.b3lyp_6-31g(d).smash.inp (generated)

000880907.b3lyp_6-31g(d).nwchem.inp (generated) 000880907.b3lyp_6-31g(d).log.xz 000880907.mol 000880907.PUBCHEM 000880907.mol (via Jmol)
000880910.b3lyp_6-31g(d).inp

000880910.b3lyp_6-31g(d).qchem.inp (generated)

000880910.b3lyp_6-31g(d).gjf (generated)

000880910.b3lyp_6-31g(d).firefly.inp (generated)

000880910.b3lyp_6-31g(d).smash.inp (generated)

000880910.b3lyp_6-31g(d).nwchem.inp (generated) 000880910.b3lyp_6-31g(d).log.xz 000880910.td-b3lyp_6-31g+(d).inp 000880910.td-b3lyp_6-31g+(d).log.xz

000880910.td-b3lyp_6-31+g(d).qchem.inp (generated)

000880910.td-b3lyp_6-31+g(d).gjf (generated)

000880910.td-b3lyp_6-31+g(d).firefly.inp (generated)

000880910.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000880910.mol 000880910.PUBCHEM 000880910.mol (via Jmol)
000880915.b3lyp_6-31g(d).inp

000880915.b3lyp_6-31g(d).qchem.inp (generated)

000880915.b3lyp_6-31g(d).gjf (generated)

000880915.b3lyp_6-31g(d).firefly.inp (generated)

000880915.b3lyp_6-31g(d).smash.inp (generated)

000880915.b3lyp_6-31g(d).nwchem.inp (generated) 000880915.b3lyp_6-31g(d).log.xz 000880915.mol 000880915.PUBCHEM 000880915.mol (via Jmol)
000880960.b3lyp_6-31g(d).inp

000880960.b3lyp_6-31g(d).qchem.inp (generated)

000880960.b3lyp_6-31g(d).gjf (generated)

000880960.b3lyp_6-31g(d).firefly.inp (generated)

000880960.b3lyp_6-31g(d).smash.inp (generated)

000880960.b3lyp_6-31g(d).nwchem.inp (generated) 000880960.b3lyp_6-31g(d).log.xz 000880960.mol 000880960.PUBCHEM 000880960.mol (via Jmol)
000880973.b3lyp_6-31g(d).inp

000880973.b3lyp_6-31g(d).qchem.inp (generated)

000880973.b3lyp_6-31g(d).gjf (generated)

000880973.b3lyp_6-31g(d).firefly.inp (generated)

000880973.b3lyp_6-31g(d).smash.inp (generated)

000880973.b3lyp_6-31g(d).nwchem.inp (generated) 000880973.b3lyp_6-31g(d).log.xz 000880973.mol 000880973.PUBCHEM 000880973.mol (via Jmol)
000881142.b3lyp_6-31g(d).inp

000881142.b3lyp_6-31g(d).qchem.inp (generated)

000881142.b3lyp_6-31g(d).gjf (generated)

000881142.b3lyp_6-31g(d).firefly.inp (generated)

000881142.b3lyp_6-31g(d).smash.inp (generated)

000881142.b3lyp_6-31g(d).nwchem.inp (generated) 000881142.b3lyp_6-31g(d).log.xz 000881142.td-b3lyp_6-31g+(d).inp 000881142.td-b3lyp_6-31g+(d).log.xz

000881142.td-b3lyp_6-31+g(d).qchem.inp (generated)

000881142.td-b3lyp_6-31+g(d).gjf (generated)

000881142.td-b3lyp_6-31+g(d).firefly.inp (generated)

000881142.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000881142.mol 000881142.PUBCHEM 000881142.mol (via Jmol)
000881266.b3lyp_6-31g(d).inp

000881266.b3lyp_6-31g(d).qchem.inp (generated)

000881266.b3lyp_6-31g(d).gjf (generated)

000881266.b3lyp_6-31g(d).firefly.inp (generated)

000881266.b3lyp_6-31g(d).smash.inp (generated)

000881266.b3lyp_6-31g(d).nwchem.inp (generated) 000881266.b3lyp_6-31g(d).log.xz 000881266.td-b3lyp_6-31g+(d).inp 000881266.td-b3lyp_6-31g+(d).log.xz

000881266.td-b3lyp_6-31+g(d).qchem.inp (generated)

000881266.td-b3lyp_6-31+g(d).gjf (generated)

000881266.td-b3lyp_6-31+g(d).firefly.inp (generated)

000881266.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000881266.mol 000881266.PUBCHEM 000881266.mol (via Jmol)
000881271.b3lyp_6-31g(d).inp

000881271.b3lyp_6-31g(d).qchem.inp (generated)

000881271.b3lyp_6-31g(d).gjf (generated)

000881271.b3lyp_6-31g(d).firefly.inp (generated)

000881271.b3lyp_6-31g(d).smash.inp (generated)

000881271.b3lyp_6-31g(d).nwchem.inp (generated) 000881271.b3lyp_6-31g(d).log.xz 000881271.td-b3lyp_6-31g+(d).inp 000881271.td-b3lyp_6-31g+(d).log.xz

000881271.td-b3lyp_6-31+g(d).qchem.inp (generated)

000881271.td-b3lyp_6-31+g(d).gjf (generated)

000881271.td-b3lyp_6-31+g(d).firefly.inp (generated)

000881271.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000881271.mol 000881271.PUBCHEM 000881271.mol (via Jmol)
000881318.b3lyp_6-31g(d).inp

000881318.b3lyp_6-31g(d).qchem.inp (generated)

000881318.b3lyp_6-31g(d).gjf (generated)

000881318.b3lyp_6-31g(d).firefly.inp (generated)

000881318.b3lyp_6-31g(d).smash.inp (generated)

000881318.b3lyp_6-31g(d).nwchem.inp (generated) 000881318.b3lyp_6-31g(d).log.xz 000881318.td-b3lyp_6-31g+(d).inp 000881318.td-b3lyp_6-31g+(d).log.xz

000881318.td-b3lyp_6-31+g(d).qchem.inp (generated)

000881318.td-b3lyp_6-31+g(d).gjf (generated)

000881318.td-b3lyp_6-31+g(d).firefly.inp (generated)

000881318.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000881318.mol 000881318.PUBCHEM 000881318.mol (via Jmol)
000881329.b3lyp_6-31g(d).inp

000881329.b3lyp_6-31g(d).qchem.inp (generated)

000881329.b3lyp_6-31g(d).gjf (generated)

000881329.b3lyp_6-31g(d).firefly.inp (generated)

000881329.b3lyp_6-31g(d).smash.inp (generated)

000881329.b3lyp_6-31g(d).nwchem.inp (generated) 000881329.b3lyp_6-31g(d).log.xz 000881329.td-b3lyp_6-31g+(d).inp 000881329.td-b3lyp_6-31g+(d).log.xz

000881329.td-b3lyp_6-31+g(d).qchem.inp (generated)

000881329.td-b3lyp_6-31+g(d).gjf (generated)

000881329.td-b3lyp_6-31+g(d).firefly.inp (generated)

000881329.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000881329.mol 000881329.PUBCHEM 000881329.mol (via Jmol)
000881347.b3lyp_6-31g(d).inp

000881347.b3lyp_6-31g(d).qchem.inp (generated)

000881347.b3lyp_6-31g(d).gjf (generated)

000881347.b3lyp_6-31g(d).firefly.inp (generated)

000881347.b3lyp_6-31g(d).smash.inp (generated)

000881347.b3lyp_6-31g(d).nwchem.inp (generated) 000881347.b3lyp_6-31g(d).log.xz 000881347.td-b3lyp_6-31g+(d).inp 000881347.td-b3lyp_6-31g+(d).log.xz

000881347.td-b3lyp_6-31+g(d).qchem.inp (generated)

000881347.td-b3lyp_6-31+g(d).gjf (generated)

000881347.td-b3lyp_6-31+g(d).firefly.inp (generated)

000881347.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000881347.mol 000881347.PUBCHEM 000881347.mol (via Jmol)
000881360.b3lyp_6-31g(d).inp

000881360.b3lyp_6-31g(d).qchem.inp (generated)

000881360.b3lyp_6-31g(d).gjf (generated)

000881360.b3lyp_6-31g(d).firefly.inp (generated)

000881360.b3lyp_6-31g(d).smash.inp (generated)

000881360.b3lyp_6-31g(d).nwchem.inp (generated) 000881360.b3lyp_6-31g(d).log.xz 000881360.td-b3lyp_6-31g+(d).inp 000881360.td-b3lyp_6-31g+(d).log.xz

000881360.td-b3lyp_6-31+g(d).qchem.inp (generated)

000881360.td-b3lyp_6-31+g(d).gjf (generated)

000881360.td-b3lyp_6-31+g(d).firefly.inp (generated)

000881360.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000881360.mol 000881360.PUBCHEM 000881360.mol (via Jmol)
000881366.b3lyp_6-31g(d).inp

000881366.b3lyp_6-31g(d).qchem.inp (generated)

000881366.b3lyp_6-31g(d).gjf (generated)

000881366.b3lyp_6-31g(d).firefly.inp (generated)

000881366.b3lyp_6-31g(d).smash.inp (generated)

000881366.b3lyp_6-31g(d).nwchem.inp (generated) 000881366.b3lyp_6-31g(d).log.xz 000881366.td-b3lyp_6-31g+(d).inp 000881366.td-b3lyp_6-31g+(d).log.xz

000881366.td-b3lyp_6-31+g(d).qchem.inp (generated)

000881366.td-b3lyp_6-31+g(d).gjf (generated)

000881366.td-b3lyp_6-31+g(d).firefly.inp (generated)

000881366.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000881366.mol 000881366.PUBCHEM 000881366.mol (via Jmol)
000881512.b3lyp_6-31g(d).inp

000881512.b3lyp_6-31g(d).qchem.inp (generated)

000881512.b3lyp_6-31g(d).gjf (generated)

000881512.b3lyp_6-31g(d).firefly.inp (generated)

000881512.b3lyp_6-31g(d).smash.inp (generated)

000881512.b3lyp_6-31g(d).nwchem.inp (generated) 000881512.b3lyp_6-31g(d).log.xz 000881512.td-b3lyp_6-31g+(d).inp 000881512.td-b3lyp_6-31g+(d).log.xz

000881512.td-b3lyp_6-31+g(d).qchem.inp (generated)

000881512.td-b3lyp_6-31+g(d).gjf (generated)

000881512.td-b3lyp_6-31+g(d).firefly.inp (generated)

000881512.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000881512.mol 000881512.PUBCHEM 000881512.mol (via Jmol)
000881574.b3lyp_6-31g(d).inp

000881574.b3lyp_6-31g(d).qchem.inp (generated)

000881574.b3lyp_6-31g(d).gjf (generated)

000881574.b3lyp_6-31g(d).firefly.inp (generated)

000881574.b3lyp_6-31g(d).smash.inp (generated)

000881574.b3lyp_6-31g(d).nwchem.inp (generated) 000881574.b3lyp_6-31g(d).log.xz 000881574.td-b3lyp_6-31g+(d).inp 000881574.td-b3lyp_6-31g+(d).log.xz

000881574.td-b3lyp_6-31+g(d).qchem.inp (generated)

000881574.td-b3lyp_6-31+g(d).gjf (generated)

000881574.td-b3lyp_6-31+g(d).firefly.inp (generated)

000881574.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000881574.mol 000881574.PUBCHEM 000881574.mol (via Jmol)
000881585.b3lyp_6-31g(d).inp

000881585.b3lyp_6-31g(d).qchem.inp (generated)

000881585.b3lyp_6-31g(d).gjf (generated)

000881585.b3lyp_6-31g(d).firefly.inp (generated)

000881585.b3lyp_6-31g(d).smash.inp (generated)

000881585.b3lyp_6-31g(d).nwchem.inp (generated) 000881585.b3lyp_6-31g(d).log.xz 000881585.mol 000881585.PUBCHEM 000881585.mol (via Jmol)
000881586.b3lyp_6-31g(d).inp

000881586.b3lyp_6-31g(d).qchem.inp (generated)

000881586.b3lyp_6-31g(d).gjf (generated)

000881586.b3lyp_6-31g(d).firefly.inp (generated)

000881586.b3lyp_6-31g(d).smash.inp (generated)

000881586.b3lyp_6-31g(d).nwchem.inp (generated) 000881586.b3lyp_6-31g(d).log.xz 000881586.td-b3lyp_6-31g+(d).inp 000881586.td-b3lyp_6-31g+(d).log.xz

000881586.td-b3lyp_6-31+g(d).qchem.inp (generated)

000881586.td-b3lyp_6-31+g(d).gjf (generated)

000881586.td-b3lyp_6-31+g(d).firefly.inp (generated)

000881586.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000881586.mol 000881586.PUBCHEM 000881586.mol (via Jmol)
000881626.b3lyp_6-31g(d).inp

000881626.b3lyp_6-31g(d).qchem.inp (generated)

000881626.b3lyp_6-31g(d).gjf (generated)

000881626.b3lyp_6-31g(d).firefly.inp (generated)

000881626.b3lyp_6-31g(d).smash.inp (generated)

000881626.b3lyp_6-31g(d).nwchem.inp (generated) 000881626.b3lyp_6-31g(d).log.xz 000881626.td-b3lyp_6-31g+(d).inp 000881626.td-b3lyp_6-31g+(d).log.xz

000881626.td-b3lyp_6-31+g(d).qchem.inp (generated)

000881626.td-b3lyp_6-31+g(d).gjf (generated)

000881626.td-b3lyp_6-31+g(d).firefly.inp (generated)

000881626.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000881626.mol 000881626.PUBCHEM 000881626.mol (via Jmol)
000881636.b3lyp_6-31g(d).inp

000881636.b3lyp_6-31g(d).qchem.inp (generated)

000881636.b3lyp_6-31g(d).gjf (generated)

000881636.b3lyp_6-31g(d).firefly.inp (generated)

000881636.b3lyp_6-31g(d).smash.inp (generated)

000881636.b3lyp_6-31g(d).nwchem.inp (generated) 000881636.b3lyp_6-31g(d).log.xz 000881636.mol 000881636.PUBCHEM 000881636.mol (via Jmol)
000881688.b3lyp_6-31g(d).inp

000881688.b3lyp_6-31g(d).qchem.inp (generated)

000881688.b3lyp_6-31g(d).gjf (generated)

000881688.b3lyp_6-31g(d).firefly.inp (generated)

000881688.b3lyp_6-31g(d).smash.inp (generated)

000881688.b3lyp_6-31g(d).nwchem.inp (generated) 000881688.b3lyp_6-31g(d).log.xz 000881688.td-b3lyp_6-31g+(d).inp 000881688.td-b3lyp_6-31g+(d).log.xz

000881688.td-b3lyp_6-31+g(d).qchem.inp (generated)

000881688.td-b3lyp_6-31+g(d).gjf (generated)

000881688.td-b3lyp_6-31+g(d).firefly.inp (generated)

000881688.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000881688.mol 000881688.PUBCHEM 000881688.mol (via Jmol)
000881724.b3lyp_6-31g(d).inp

000881724.b3lyp_6-31g(d).qchem.inp (generated)

000881724.b3lyp_6-31g(d).gjf (generated)

000881724.b3lyp_6-31g(d).firefly.inp (generated)

000881724.b3lyp_6-31g(d).smash.inp (generated)

000881724.b3lyp_6-31g(d).nwchem.inp (generated) 000881724.b3lyp_6-31g(d).log.xz 000881724.td-b3lyp_6-31g+(d).inp 000881724.td-b3lyp_6-31g+(d).log.xz

000881724.td-b3lyp_6-31+g(d).qchem.inp (generated)

000881724.td-b3lyp_6-31+g(d).gjf (generated)

000881724.td-b3lyp_6-31+g(d).firefly.inp (generated)

000881724.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000881724.mol 000881724.PUBCHEM 000881724.mol (via Jmol)
000881739.b3lyp_6-31g(d).inp

000881739.b3lyp_6-31g(d).qchem.inp (generated)

000881739.b3lyp_6-31g(d).gjf (generated)

000881739.b3lyp_6-31g(d).firefly.inp (generated)

000881739.b3lyp_6-31g(d).smash.inp (generated)

000881739.b3lyp_6-31g(d).nwchem.inp (generated) 000881739.b3lyp_6-31g(d).log.xz 000881739.td-b3lyp_6-31g+(d).inp 000881739.td-b3lyp_6-31g+(d).log.xz

000881739.td-b3lyp_6-31+g(d).qchem.inp (generated)

000881739.td-b3lyp_6-31+g(d).gjf (generated)

000881739.td-b3lyp_6-31+g(d).firefly.inp (generated)

000881739.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000881739.mol 000881739.PUBCHEM 000881739.mol (via Jmol)
000881769.b3lyp_6-31g(d).inp

000881769.b3lyp_6-31g(d).qchem.inp (generated)

000881769.b3lyp_6-31g(d).gjf (generated)

000881769.b3lyp_6-31g(d).firefly.inp (generated)

000881769.b3lyp_6-31g(d).smash.inp (generated)

000881769.b3lyp_6-31g(d).nwchem.inp (generated) 000881769.b3lyp_6-31g(d).log.xz 000881769.td-b3lyp_6-31g+(d).inp 000881769.td-b3lyp_6-31g+(d).log.xz

000881769.td-b3lyp_6-31+g(d).qchem.inp (generated)

000881769.td-b3lyp_6-31+g(d).gjf (generated)

000881769.td-b3lyp_6-31+g(d).firefly.inp (generated)

000881769.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000881769.mol 000881769.PUBCHEM 000881769.mol (via Jmol)
000881839.b3lyp_6-31g(d).inp

000881839.b3lyp_6-31g(d).qchem.inp (generated)

000881839.b3lyp_6-31g(d).gjf (generated)

000881839.b3lyp_6-31g(d).firefly.inp (generated)

000881839.b3lyp_6-31g(d).smash.inp (generated)

000881839.b3lyp_6-31g(d).nwchem.inp (generated) 000881839.b3lyp_6-31g(d).log.xz 000881839.td-b3lyp_6-31g+(d).inp 000881839.td-b3lyp_6-31g+(d).log.xz

000881839.td-b3lyp_6-31+g(d).qchem.inp (generated)

000881839.td-b3lyp_6-31+g(d).gjf (generated)

000881839.td-b3lyp_6-31+g(d).firefly.inp (generated)

000881839.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000881839.mol 000881839.PUBCHEM 000881839.mol (via Jmol)
000881880.b3lyp_6-31g(d).inp

000881880.b3lyp_6-31g(d).qchem.inp (generated)

000881880.b3lyp_6-31g(d).gjf (generated)

000881880.b3lyp_6-31g(d).firefly.inp (generated)

000881880.b3lyp_6-31g(d).smash.inp (generated)

000881880.b3lyp_6-31g(d).nwchem.inp (generated) 000881880.b3lyp_6-31g(d).log.xz 000881880.td-b3lyp_6-31g+(d).inp 000881880.td-b3lyp_6-31g+(d).log.xz

000881880.td-b3lyp_6-31+g(d).qchem.inp (generated)

000881880.td-b3lyp_6-31+g(d).gjf (generated)

000881880.td-b3lyp_6-31+g(d).firefly.inp (generated)

000881880.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000881880.mol 000881880.PUBCHEM 000881880.mol (via Jmol)
000881881.b3lyp_6-31g(d).inp

000881881.b3lyp_6-31g(d).qchem.inp (generated)

000881881.b3lyp_6-31g(d).gjf (generated)

000881881.b3lyp_6-31g(d).firefly.inp (generated)

000881881.b3lyp_6-31g(d).smash.inp (generated)

000881881.b3lyp_6-31g(d).nwchem.inp (generated) 000881881.b3lyp_6-31g(d).log.xz 000881881.mol 000881881.PUBCHEM 000881881.mol (via Jmol)
000881957.b3lyp_6-31g(d).inp

000881957.b3lyp_6-31g(d).qchem.inp (generated)

000881957.b3lyp_6-31g(d).gjf (generated)

000881957.b3lyp_6-31g(d).firefly.inp (generated)

000881957.b3lyp_6-31g(d).smash.inp (generated)

000881957.b3lyp_6-31g(d).nwchem.inp (generated) 000881957.b3lyp_6-31g(d).log.xz 000881957.td-b3lyp_6-31g+(d).inp 000881957.td-b3lyp_6-31g+(d).log.xz

000881957.td-b3lyp_6-31+g(d).qchem.inp (generated)

000881957.td-b3lyp_6-31+g(d).gjf (generated)

000881957.td-b3lyp_6-31+g(d).firefly.inp (generated)

000881957.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000881957.mol 000881957.PUBCHEM 000881957.mol (via Jmol)
000881958.b3lyp_6-31g(d).inp

000881958.b3lyp_6-31g(d).qchem.inp (generated)

000881958.b3lyp_6-31g(d).gjf (generated)

000881958.b3lyp_6-31g(d).firefly.inp (generated)

000881958.b3lyp_6-31g(d).smash.inp (generated)

000881958.b3lyp_6-31g(d).nwchem.inp (generated) 000881958.b3lyp_6-31g(d).log.xz 000881958.td-b3lyp_6-31g+(d).inp 000881958.td-b3lyp_6-31g+(d).log.xz

000881958.td-b3lyp_6-31+g(d).qchem.inp (generated)

000881958.td-b3lyp_6-31+g(d).gjf (generated)

000881958.td-b3lyp_6-31+g(d).firefly.inp (generated)

000881958.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000881958.mol 000881958.PUBCHEM 000881958.mol (via Jmol)
000881995.b3lyp_6-31g(d).inp

000881995.b3lyp_6-31g(d).qchem.inp (generated)

000881995.b3lyp_6-31g(d).gjf (generated)

000881995.b3lyp_6-31g(d).firefly.inp (generated)

000881995.b3lyp_6-31g(d).smash.inp (generated)

000881995.b3lyp_6-31g(d).nwchem.inp (generated) 000881995.b3lyp_6-31g(d).log.xz 000881995.mol 000881995.PUBCHEM 000881995.mol (via Jmol)
000882024.b3lyp_6-31g(d).inp

000882024.b3lyp_6-31g(d).qchem.inp (generated)

000882024.b3lyp_6-31g(d).gjf (generated)

000882024.b3lyp_6-31g(d).firefly.inp (generated)

000882024.b3lyp_6-31g(d).smash.inp (generated)

000882024.b3lyp_6-31g(d).nwchem.inp (generated) 000882024.b3lyp_6-31g(d).log.xz 000882024.td-b3lyp_6-31g+(d).inp 000882024.td-b3lyp_6-31g+(d).log.xz

000882024.td-b3lyp_6-31+g(d).qchem.inp (generated)

000882024.td-b3lyp_6-31+g(d).gjf (generated)

000882024.td-b3lyp_6-31+g(d).firefly.inp (generated)

000882024.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000882024.mol 000882024.PUBCHEM 000882024.mol (via Jmol)
000882052.b3lyp_6-31g(d).inp

000882052.b3lyp_6-31g(d).qchem.inp (generated)

000882052.b3lyp_6-31g(d).gjf (generated)

000882052.b3lyp_6-31g(d).firefly.inp (generated)

000882052.b3lyp_6-31g(d).smash.inp (generated)

000882052.b3lyp_6-31g(d).nwchem.inp (generated) 000882052.b3lyp_6-31g(d).log.xz 000882052.mol 000882052.PUBCHEM 000882052.mol (via Jmol)
000882053.b3lyp_6-31g(d).inp

000882053.b3lyp_6-31g(d).qchem.inp (generated)

000882053.b3lyp_6-31g(d).gjf (generated)

000882053.b3lyp_6-31g(d).firefly.inp (generated)

000882053.b3lyp_6-31g(d).smash.inp (generated)

000882053.b3lyp_6-31g(d).nwchem.inp (generated) 000882053.b3lyp_6-31g(d).log.xz 000882053.mol 000882053.PUBCHEM 000882053.mol (via Jmol)
000882084.b3lyp_6-31g(d).inp

000882084.b3lyp_6-31g(d).qchem.inp (generated)

000882084.b3lyp_6-31g(d).gjf (generated)

000882084.b3lyp_6-31g(d).firefly.inp (generated)

000882084.b3lyp_6-31g(d).smash.inp (generated)

000882084.b3lyp_6-31g(d).nwchem.inp (generated) 000882084.b3lyp_6-31g(d).log.xz 000882084.td-b3lyp_6-31g+(d).inp 000882084.td-b3lyp_6-31g+(d).log.xz

000882084.td-b3lyp_6-31+g(d).qchem.inp (generated)

000882084.td-b3lyp_6-31+g(d).gjf (generated)

000882084.td-b3lyp_6-31+g(d).firefly.inp (generated)

000882084.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000882084.mol 000882084.PUBCHEM 000882084.mol (via Jmol)
000882091.b3lyp_6-31g(d).inp

000882091.b3lyp_6-31g(d).qchem.inp (generated)

000882091.b3lyp_6-31g(d).gjf (generated)

000882091.b3lyp_6-31g(d).firefly.inp (generated)

000882091.b3lyp_6-31g(d).smash.inp (generated)

000882091.b3lyp_6-31g(d).nwchem.inp (generated) 000882091.b3lyp_6-31g(d).log.xz 000882091.td-b3lyp_6-31g+(d).inp 000882091.td-b3lyp_6-31g+(d).log.xz

000882091.td-b3lyp_6-31+g(d).qchem.inp (generated)

000882091.td-b3lyp_6-31+g(d).gjf (generated)

000882091.td-b3lyp_6-31+g(d).firefly.inp (generated)

000882091.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000882091.mol 000882091.PUBCHEM 000882091.mol (via Jmol)
000882106.b3lyp_6-31g(d).inp

000882106.b3lyp_6-31g(d).qchem.inp (generated)

000882106.b3lyp_6-31g(d).gjf (generated)

000882106.b3lyp_6-31g(d).firefly.inp (generated)

000882106.b3lyp_6-31g(d).smash.inp (generated)

000882106.b3lyp_6-31g(d).nwchem.inp (generated) 000882106.b3lyp_6-31g(d).log.xz 000882106.td-b3lyp_6-31g+(d).inp 000882106.td-b3lyp_6-31g+(d).log.xz

000882106.td-b3lyp_6-31+g(d).qchem.inp (generated)

000882106.td-b3lyp_6-31+g(d).gjf (generated)

000882106.td-b3lyp_6-31+g(d).firefly.inp (generated)

000882106.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000882106.mol 000882106.PUBCHEM 000882106.mol (via Jmol)
000882107.b3lyp_6-31g(d).inp

000882107.b3lyp_6-31g(d).qchem.inp (generated)

000882107.b3lyp_6-31g(d).gjf (generated)

000882107.b3lyp_6-31g(d).firefly.inp (generated)

000882107.b3lyp_6-31g(d).smash.inp (generated)

000882107.b3lyp_6-31g(d).nwchem.inp (generated) 000882107.b3lyp_6-31g(d).log.xz 000882107.td-b3lyp_6-31g+(d).inp 000882107.td-b3lyp_6-31g+(d).log.xz

000882107.td-b3lyp_6-31+g(d).qchem.inp (generated)

000882107.td-b3lyp_6-31+g(d).gjf (generated)

000882107.td-b3lyp_6-31+g(d).firefly.inp (generated)

000882107.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000882107.mol 000882107.PUBCHEM 000882107.mol (via Jmol)
000882109.b3lyp_6-31g(d).inp

000882109.b3lyp_6-31g(d).qchem.inp (generated)

000882109.b3lyp_6-31g(d).gjf (generated)

000882109.b3lyp_6-31g(d).firefly.inp (generated)

000882109.b3lyp_6-31g(d).smash.inp (generated)

000882109.b3lyp_6-31g(d).nwchem.inp (generated) 000882109.b3lyp_6-31g(d).log.xz 000882109.mol 000882109.PUBCHEM 000882109.mol (via Jmol)
000882111.b3lyp_6-31g(d).inp

000882111.b3lyp_6-31g(d).qchem.inp (generated)

000882111.b3lyp_6-31g(d).gjf (generated)

000882111.b3lyp_6-31g(d).firefly.inp (generated)

000882111.b3lyp_6-31g(d).smash.inp (generated)

000882111.b3lyp_6-31g(d).nwchem.inp (generated) 000882111.b3lyp_6-31g(d).log.xz 000882111.td-b3lyp_6-31g+(d).inp 000882111.td-b3lyp_6-31g+(d).log.xz

000882111.td-b3lyp_6-31+g(d).qchem.inp (generated)

000882111.td-b3lyp_6-31+g(d).gjf (generated)

000882111.td-b3lyp_6-31+g(d).firefly.inp (generated)

000882111.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000882111.mol 000882111.PUBCHEM 000882111.mol (via Jmol)
000882116.b3lyp_6-31g(d).inp

000882116.b3lyp_6-31g(d).qchem.inp (generated)

000882116.b3lyp_6-31g(d).gjf (generated)

000882116.b3lyp_6-31g(d).firefly.inp (generated)

000882116.b3lyp_6-31g(d).smash.inp (generated)

000882116.b3lyp_6-31g(d).nwchem.inp (generated) 000882116.b3lyp_6-31g(d).log.xz 000882116.mol 000882116.PUBCHEM 000882116.mol (via Jmol)
000882124.b3lyp_6-31g(d).inp

000882124.b3lyp_6-31g(d).qchem.inp (generated)

000882124.b3lyp_6-31g(d).gjf (generated)

000882124.b3lyp_6-31g(d).firefly.inp (generated)

000882124.b3lyp_6-31g(d).smash.inp (generated)

000882124.b3lyp_6-31g(d).nwchem.inp (generated) 000882124.b3lyp_6-31g(d).log.xz 000882124.td-b3lyp_6-31g+(d).inp 000882124.td-b3lyp_6-31g+(d).log.xz

000882124.td-b3lyp_6-31+g(d).qchem.inp (generated)

000882124.td-b3lyp_6-31+g(d).gjf (generated)

000882124.td-b3lyp_6-31+g(d).firefly.inp (generated)

000882124.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000882124.mol 000882124.PUBCHEM 000882124.mol (via Jmol)
000882133.b3lyp_6-31g(d).inp

000882133.b3lyp_6-31g(d).qchem.inp (generated)

000882133.b3lyp_6-31g(d).gjf (generated)

000882133.b3lyp_6-31g(d).firefly.inp (generated)

000882133.b3lyp_6-31g(d).smash.inp (generated)

000882133.b3lyp_6-31g(d).nwchem.inp (generated) 000882133.b3lyp_6-31g(d).log.xz 000882133.td-b3lyp_6-31g+(d).inp 000882133.td-b3lyp_6-31g+(d).log.xz

000882133.td-b3lyp_6-31+g(d).qchem.inp (generated)

000882133.td-b3lyp_6-31+g(d).gjf (generated)

000882133.td-b3lyp_6-31+g(d).firefly.inp (generated)

000882133.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000882133.mol 000882133.PUBCHEM 000882133.mol (via Jmol)
000882141.b3lyp_6-31g(d).inp

000882141.b3lyp_6-31g(d).qchem.inp (generated)

000882141.b3lyp_6-31g(d).gjf (generated)

000882141.b3lyp_6-31g(d).firefly.inp (generated)

000882141.b3lyp_6-31g(d).smash.inp (generated)

000882141.b3lyp_6-31g(d).nwchem.inp (generated) 000882141.b3lyp_6-31g(d).log.xz 000882141.td-b3lyp_6-31g+(d).inp 000882141.td-b3lyp_6-31g+(d).log.xz

000882141.td-b3lyp_6-31+g(d).qchem.inp (generated)

000882141.td-b3lyp_6-31+g(d).gjf (generated)

000882141.td-b3lyp_6-31+g(d).firefly.inp (generated)

000882141.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000882141.mol 000882141.PUBCHEM 000882141.mol (via Jmol)
000882156.b3lyp_6-31g(d).inp

000882156.b3lyp_6-31g(d).qchem.inp (generated)

000882156.b3lyp_6-31g(d).gjf (generated)

000882156.b3lyp_6-31g(d).firefly.inp (generated)

000882156.b3lyp_6-31g(d).smash.inp (generated)

000882156.b3lyp_6-31g(d).nwchem.inp (generated) 000882156.b3lyp_6-31g(d).log.xz 000882156.mol 000882156.PUBCHEM 000882156.mol (via Jmol)
000882163.b3lyp_6-31g(d).inp

000882163.b3lyp_6-31g(d).qchem.inp (generated)

000882163.b3lyp_6-31g(d).gjf (generated)

000882163.b3lyp_6-31g(d).firefly.inp (generated)

000882163.b3lyp_6-31g(d).smash.inp (generated)

000882163.b3lyp_6-31g(d).nwchem.inp (generated) 000882163.b3lyp_6-31g(d).log.xz 000882163.td-b3lyp_6-31g+(d).inp 000882163.td-b3lyp_6-31g+(d).log.xz

000882163.td-b3lyp_6-31+g(d).qchem.inp (generated)

000882163.td-b3lyp_6-31+g(d).gjf (generated)

000882163.td-b3lyp_6-31+g(d).firefly.inp (generated)

000882163.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000882163.mol 000882163.PUBCHEM 000882163.mol (via Jmol)
000882191.b3lyp_6-31g(d).inp

000882191.b3lyp_6-31g(d).qchem.inp (generated)

000882191.b3lyp_6-31g(d).gjf (generated)

000882191.b3lyp_6-31g(d).firefly.inp (generated)

000882191.b3lyp_6-31g(d).smash.inp (generated)

000882191.b3lyp_6-31g(d).nwchem.inp (generated) 000882191.b3lyp_6-31g(d).log.xz 000882191.mol 000882191.PUBCHEM 000882191.mol (via Jmol)
000882195.b3lyp_6-31g(d).inp

000882195.b3lyp_6-31g(d).qchem.inp (generated)

000882195.b3lyp_6-31g(d).gjf (generated)

000882195.b3lyp_6-31g(d).firefly.inp (generated)

000882195.b3lyp_6-31g(d).smash.inp (generated)

000882195.b3lyp_6-31g(d).nwchem.inp (generated) 000882195.b3lyp_6-31g(d).log.xz 000882195.td-b3lyp_6-31g+(d).inp 000882195.td-b3lyp_6-31g+(d).log.xz

000882195.td-b3lyp_6-31+g(d).qchem.inp (generated)

000882195.td-b3lyp_6-31+g(d).gjf (generated)

000882195.td-b3lyp_6-31+g(d).firefly.inp (generated)

000882195.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000882195.mol 000882195.PUBCHEM 000882195.mol (via Jmol)
000882205.b3lyp_6-31g(d).inp

000882205.b3lyp_6-31g(d).qchem.inp (generated)

000882205.b3lyp_6-31g(d).gjf (generated)

000882205.b3lyp_6-31g(d).firefly.inp (generated)

000882205.b3lyp_6-31g(d).smash.inp (generated)

000882205.b3lyp_6-31g(d).nwchem.inp (generated) 000882205.b3lyp_6-31g(d).log.xz 000882205.td-b3lyp_6-31g+(d).inp 000882205.td-b3lyp_6-31g+(d).log.xz

000882205.td-b3lyp_6-31+g(d).qchem.inp (generated)

000882205.td-b3lyp_6-31+g(d).gjf (generated)

000882205.td-b3lyp_6-31+g(d).firefly.inp (generated)

000882205.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000882205.mol 000882205.PUBCHEM 000882205.mol (via Jmol)
000882208.b3lyp_6-31g(d).inp

000882208.b3lyp_6-31g(d).qchem.inp (generated)

000882208.b3lyp_6-31g(d).gjf (generated)

000882208.b3lyp_6-31g(d).firefly.inp (generated)

000882208.b3lyp_6-31g(d).smash.inp (generated)

000882208.b3lyp_6-31g(d).nwchem.inp (generated) 000882208.b3lyp_6-31g(d).log.xz 000882208.mol 000882208.PUBCHEM 000882208.mol (via Jmol)
000882213.b3lyp_6-31g(d).inp

000882213.b3lyp_6-31g(d).qchem.inp (generated)

000882213.b3lyp_6-31g(d).gjf (generated)

000882213.b3lyp_6-31g(d).firefly.inp (generated)

000882213.b3lyp_6-31g(d).smash.inp (generated)

000882213.b3lyp_6-31g(d).nwchem.inp (generated) 000882213.b3lyp_6-31g(d).log.xz 000882213.td-b3lyp_6-31g+(d).inp 000882213.td-b3lyp_6-31g+(d).log.xz

000882213.td-b3lyp_6-31+g(d).qchem.inp (generated)

000882213.td-b3lyp_6-31+g(d).gjf (generated)

000882213.td-b3lyp_6-31+g(d).firefly.inp (generated)

000882213.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000882213.mol 000882213.PUBCHEM 000882213.mol (via Jmol)
000882238.b3lyp_6-31g(d).inp

000882238.b3lyp_6-31g(d).qchem.inp (generated)

000882238.b3lyp_6-31g(d).gjf (generated)

000882238.b3lyp_6-31g(d).firefly.inp (generated)

000882238.b3lyp_6-31g(d).smash.inp (generated)

000882238.b3lyp_6-31g(d).nwchem.inp (generated) 000882238.b3lyp_6-31g(d).log.xz 000882238.td-b3lyp_6-31g+(d).inp 000882238.td-b3lyp_6-31g+(d).log.xz

000882238.td-b3lyp_6-31+g(d).qchem.inp (generated)

000882238.td-b3lyp_6-31+g(d).gjf (generated)

000882238.td-b3lyp_6-31+g(d).firefly.inp (generated)

000882238.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000882238.mol 000882238.PUBCHEM 000882238.mol (via Jmol)
000882239.b3lyp_6-31g(d).inp

000882239.b3lyp_6-31g(d).qchem.inp (generated)

000882239.b3lyp_6-31g(d).gjf (generated)

000882239.b3lyp_6-31g(d).firefly.inp (generated)

000882239.b3lyp_6-31g(d).smash.inp (generated)

000882239.b3lyp_6-31g(d).nwchem.inp (generated) 000882239.b3lyp_6-31g(d).log.xz 000882239.td-b3lyp_6-31g+(d).inp 000882239.td-b3lyp_6-31g+(d).log.xz

000882239.td-b3lyp_6-31+g(d).qchem.inp (generated)

000882239.td-b3lyp_6-31+g(d).gjf (generated)

000882239.td-b3lyp_6-31+g(d).firefly.inp (generated)

000882239.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000882239.mol 000882239.PUBCHEM 000882239.mol (via Jmol)
000882241.b3lyp_6-31g(d).inp

000882241.b3lyp_6-31g(d).qchem.inp (generated)

000882241.b3lyp_6-31g(d).gjf (generated)

000882241.b3lyp_6-31g(d).firefly.inp (generated)

000882241.b3lyp_6-31g(d).smash.inp (generated)

000882241.b3lyp_6-31g(d).nwchem.inp (generated) 000882241.b3lyp_6-31g(d).log.xz 000882241.td-b3lyp_6-31g+(d).inp 000882241.td-b3lyp_6-31g+(d).log.xz

000882241.td-b3lyp_6-31+g(d).qchem.inp (generated)

000882241.td-b3lyp_6-31+g(d).gjf (generated)

000882241.td-b3lyp_6-31+g(d).firefly.inp (generated)

000882241.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000882241.mol 000882241.PUBCHEM 000882241.mol (via Jmol)
000882243.b3lyp_6-31g(d).inp

000882243.b3lyp_6-31g(d).qchem.inp (generated)

000882243.b3lyp_6-31g(d).gjf (generated)

000882243.b3lyp_6-31g(d).firefly.inp (generated)

000882243.b3lyp_6-31g(d).smash.inp (generated)

000882243.b3lyp_6-31g(d).nwchem.inp (generated) 000882243.b3lyp_6-31g(d).log.xz 000882243.td-b3lyp_6-31g+(d).inp 000882243.td-b3lyp_6-31g+(d).log.xz

000882243.td-b3lyp_6-31+g(d).qchem.inp (generated)

000882243.td-b3lyp_6-31+g(d).gjf (generated)

000882243.td-b3lyp_6-31+g(d).firefly.inp (generated)

000882243.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000882243.mol 000882243.PUBCHEM 000882243.mol (via Jmol)
000882251.b3lyp_6-31g(d).inp

000882251.b3lyp_6-31g(d).qchem.inp (generated)

000882251.b3lyp_6-31g(d).gjf (generated)

000882251.b3lyp_6-31g(d).firefly.inp (generated)

000882251.b3lyp_6-31g(d).smash.inp (generated)

000882251.b3lyp_6-31g(d).nwchem.inp (generated) 000882251.b3lyp_6-31g(d).log.xz 000882251.td-b3lyp_6-31g+(d).inp 000882251.td-b3lyp_6-31g+(d).log.xz

000882251.td-b3lyp_6-31+g(d).qchem.inp (generated)

000882251.td-b3lyp_6-31+g(d).gjf (generated)

000882251.td-b3lyp_6-31+g(d).firefly.inp (generated)

000882251.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000882251.mol 000882251.PUBCHEM 000882251.mol (via Jmol)
000882273.b3lyp_6-31g(d).inp

000882273.b3lyp_6-31g(d).qchem.inp (generated)

000882273.b3lyp_6-31g(d).gjf (generated)

000882273.b3lyp_6-31g(d).firefly.inp (generated)

000882273.b3lyp_6-31g(d).smash.inp (generated)

000882273.b3lyp_6-31g(d).nwchem.inp (generated) 000882273.b3lyp_6-31g(d).log.xz 000882273.mol 000882273.PUBCHEM 000882273.mol (via Jmol)
000882372.b3lyp_6-31g(d).inp

000882372.b3lyp_6-31g(d).qchem.inp (generated)

000882372.b3lyp_6-31g(d).gjf (generated)

000882372.b3lyp_6-31g(d).firefly.inp (generated)

000882372.b3lyp_6-31g(d).smash.inp (generated)

000882372.b3lyp_6-31g(d).nwchem.inp (generated) 000882372.b3lyp_6-31g(d).log.xz 000882372.td-b3lyp_6-31g+(d).inp 000882372.td-b3lyp_6-31g+(d).log.xz

000882372.td-b3lyp_6-31+g(d).qchem.inp (generated)

000882372.td-b3lyp_6-31+g(d).gjf (generated)

000882372.td-b3lyp_6-31+g(d).firefly.inp (generated)

000882372.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000882372.mol 000882372.PUBCHEM 000882372.mol (via Jmol)
000882440.b3lyp_6-31g(d).inp

000882440.b3lyp_6-31g(d).qchem.inp (generated)

000882440.b3lyp_6-31g(d).gjf (generated)

000882440.b3lyp_6-31g(d).firefly.inp (generated)

000882440.b3lyp_6-31g(d).smash.inp (generated)

000882440.b3lyp_6-31g(d).nwchem.inp (generated) 000882440.b3lyp_6-31g(d).log.xz 000882440.td-b3lyp_6-31g+(d).inp 000882440.td-b3lyp_6-31g+(d).log.xz

000882440.td-b3lyp_6-31+g(d).qchem.inp (generated)

000882440.td-b3lyp_6-31+g(d).gjf (generated)

000882440.td-b3lyp_6-31+g(d).firefly.inp (generated)

000882440.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000882440.mol 000882440.PUBCHEM 000882440.mol (via Jmol)
000882445.b3lyp_6-31g(d).inp

000882445.b3lyp_6-31g(d).qchem.inp (generated)

000882445.b3lyp_6-31g(d).gjf (generated)

000882445.b3lyp_6-31g(d).firefly.inp (generated)

000882445.b3lyp_6-31g(d).smash.inp (generated)

000882445.b3lyp_6-31g(d).nwchem.inp (generated) 000882445.b3lyp_6-31g(d).log.xz 000882445.td-b3lyp_6-31g+(d).inp 000882445.td-b3lyp_6-31g+(d).log.xz

000882445.td-b3lyp_6-31+g(d).qchem.inp (generated)

000882445.td-b3lyp_6-31+g(d).gjf (generated)

000882445.td-b3lyp_6-31+g(d).firefly.inp (generated)

000882445.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000882445.mol 000882445.PUBCHEM 000882445.mol (via Jmol)
000882451.b3lyp_6-31g(d).inp

000882451.b3lyp_6-31g(d).qchem.inp (generated)

000882451.b3lyp_6-31g(d).gjf (generated)

000882451.b3lyp_6-31g(d).firefly.inp (generated)

000882451.b3lyp_6-31g(d).smash.inp (generated)

000882451.b3lyp_6-31g(d).nwchem.inp (generated) 000882451.b3lyp_6-31g(d).log.xz 000882451.td-b3lyp_6-31g+(d).inp 000882451.td-b3lyp_6-31g+(d).log.xz

000882451.td-b3lyp_6-31+g(d).qchem.inp (generated)

000882451.td-b3lyp_6-31+g(d).gjf (generated)

000882451.td-b3lyp_6-31+g(d).firefly.inp (generated)

000882451.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000882451.mol 000882451.PUBCHEM 000882451.mol (via Jmol)
000882476.b3lyp_6-31g(d).inp

000882476.b3lyp_6-31g(d).qchem.inp (generated)

000882476.b3lyp_6-31g(d).gjf (generated)

000882476.b3lyp_6-31g(d).firefly.inp (generated)

000882476.b3lyp_6-31g(d).smash.inp (generated)

000882476.b3lyp_6-31g(d).nwchem.inp (generated) 000882476.b3lyp_6-31g(d).log.xz 000882476.td-b3lyp_6-31g+(d).inp 000882476.td-b3lyp_6-31g+(d).log.xz

000882476.td-b3lyp_6-31+g(d).qchem.inp (generated)

000882476.td-b3lyp_6-31+g(d).gjf (generated)

000882476.td-b3lyp_6-31+g(d).firefly.inp (generated)

000882476.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000882476.mol 000882476.PUBCHEM 000882476.mol (via Jmol)
000882492.b3lyp_6-31g(d).inp

000882492.b3lyp_6-31g(d).qchem.inp (generated)

000882492.b3lyp_6-31g(d).gjf (generated)

000882492.b3lyp_6-31g(d).firefly.inp (generated)

000882492.b3lyp_6-31g(d).smash.inp (generated)

000882492.b3lyp_6-31g(d).nwchem.inp (generated) 000882492.b3lyp_6-31g(d).log.xz 000882492.td-b3lyp_6-31g+(d).inp 000882492.td-b3lyp_6-31g+(d).log.xz

000882492.td-b3lyp_6-31+g(d).qchem.inp (generated)

000882492.td-b3lyp_6-31+g(d).gjf (generated)

000882492.td-b3lyp_6-31+g(d).firefly.inp (generated)

000882492.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000882492.mol 000882492.PUBCHEM 000882492.mol (via Jmol)
000882501.b3lyp_6-31g(d).inp

000882501.b3lyp_6-31g(d).qchem.inp (generated)

000882501.b3lyp_6-31g(d).gjf (generated)

000882501.b3lyp_6-31g(d).firefly.inp (generated)

000882501.b3lyp_6-31g(d).smash.inp (generated)

000882501.b3lyp_6-31g(d).nwchem.inp (generated) 000882501.b3lyp_6-31g(d).log.xz 000882501.td-b3lyp_6-31g+(d).inp 000882501.td-b3lyp_6-31g+(d).log.xz

000882501.td-b3lyp_6-31+g(d).qchem.inp (generated)

000882501.td-b3lyp_6-31+g(d).gjf (generated)

000882501.td-b3lyp_6-31+g(d).firefly.inp (generated)

000882501.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000882501.mol 000882501.PUBCHEM 000882501.mol (via Jmol)
000882523.b3lyp_6-31g(d).inp

000882523.b3lyp_6-31g(d).qchem.inp (generated)

000882523.b3lyp_6-31g(d).gjf (generated)

000882523.b3lyp_6-31g(d).firefly.inp (generated)

000882523.b3lyp_6-31g(d).smash.inp (generated)

000882523.b3lyp_6-31g(d).nwchem.inp (generated) 000882523.b3lyp_6-31g(d).log.xz 000882523.mol 000882523.PUBCHEM 000882523.mol (via Jmol)
000882566.b3lyp_6-31g(d).inp

000882566.b3lyp_6-31g(d).qchem.inp (generated)

000882566.b3lyp_6-31g(d).gjf (generated)

000882566.b3lyp_6-31g(d).firefly.inp (generated)

000882566.b3lyp_6-31g(d).smash.inp (generated)

000882566.b3lyp_6-31g(d).nwchem.inp (generated) 000882566.b3lyp_6-31g(d).log.xz 000882566.td-b3lyp_6-31g+(d).inp 000882566.td-b3lyp_6-31g+(d).log.xz

000882566.td-b3lyp_6-31+g(d).qchem.inp (generated)

000882566.td-b3lyp_6-31+g(d).gjf (generated)

000882566.td-b3lyp_6-31+g(d).firefly.inp (generated)

000882566.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000882566.mol 000882566.PUBCHEM 000882566.mol (via Jmol)
000882568.b3lyp_6-31g(d).inp

000882568.b3lyp_6-31g(d).qchem.inp (generated)

000882568.b3lyp_6-31g(d).gjf (generated)

000882568.b3lyp_6-31g(d).firefly.inp (generated)

000882568.b3lyp_6-31g(d).smash.inp (generated)

000882568.b3lyp_6-31g(d).nwchem.inp (generated) 000882568.b3lyp_6-31g(d).log.xz 000882568.td-b3lyp_6-31g+(d).inp 000882568.td-b3lyp_6-31g+(d).log.xz

000882568.td-b3lyp_6-31+g(d).qchem.inp (generated)

000882568.td-b3lyp_6-31+g(d).gjf (generated)

000882568.td-b3lyp_6-31+g(d).firefly.inp (generated)

000882568.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000882568.mol 000882568.PUBCHEM 000882568.mol (via Jmol)
000882604.b3lyp_6-31g(d).inp

000882604.b3lyp_6-31g(d).qchem.inp (generated)

000882604.b3lyp_6-31g(d).gjf (generated)

000882604.b3lyp_6-31g(d).firefly.inp (generated)

000882604.b3lyp_6-31g(d).smash.inp (generated)

000882604.b3lyp_6-31g(d).nwchem.inp (generated) 000882604.b3lyp_6-31g(d).log.xz 000882604.td-b3lyp_6-31g+(d).inp 000882604.td-b3lyp_6-31g+(d).log.xz

000882604.td-b3lyp_6-31+g(d).qchem.inp (generated)

000882604.td-b3lyp_6-31+g(d).gjf (generated)

000882604.td-b3lyp_6-31+g(d).firefly.inp (generated)

000882604.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000882604.mol 000882604.PUBCHEM 000882604.mol (via Jmol)
000882623.b3lyp_6-31g(d).inp

000882623.b3lyp_6-31g(d).qchem.inp (generated)

000882623.b3lyp_6-31g(d).gjf (generated)

000882623.b3lyp_6-31g(d).firefly.inp (generated)

000882623.b3lyp_6-31g(d).smash.inp (generated)

000882623.b3lyp_6-31g(d).nwchem.inp (generated) 000882623.b3lyp_6-31g(d).log.xz 000882623.td-b3lyp_6-31g+(d).inp 000882623.td-b3lyp_6-31g+(d).log.xz

000882623.td-b3lyp_6-31+g(d).qchem.inp (generated)

000882623.td-b3lyp_6-31+g(d).gjf (generated)

000882623.td-b3lyp_6-31+g(d).firefly.inp (generated)

000882623.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000882623.mol 000882623.PUBCHEM 000882623.mol (via Jmol)
000882634.b3lyp_6-31g(d).inp

000882634.b3lyp_6-31g(d).qchem.inp (generated)

000882634.b3lyp_6-31g(d).gjf (generated)

000882634.b3lyp_6-31g(d).firefly.inp (generated)

000882634.b3lyp_6-31g(d).smash.inp (generated)

000882634.b3lyp_6-31g(d).nwchem.inp (generated) 000882634.b3lyp_6-31g(d).log.xz 000882634.td-b3lyp_6-31g+(d).inp 000882634.td-b3lyp_6-31g+(d).log.xz

000882634.td-b3lyp_6-31+g(d).qchem.inp (generated)

000882634.td-b3lyp_6-31+g(d).gjf (generated)

000882634.td-b3lyp_6-31+g(d).firefly.inp (generated)

000882634.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000882634.mol 000882634.PUBCHEM 000882634.mol (via Jmol)
000882693.b3lyp_6-31g(d).inp

000882693.b3lyp_6-31g(d).qchem.inp (generated)

000882693.b3lyp_6-31g(d).gjf (generated)

000882693.b3lyp_6-31g(d).firefly.inp (generated)

000882693.b3lyp_6-31g(d).smash.inp (generated)

000882693.b3lyp_6-31g(d).nwchem.inp (generated) 000882693.b3lyp_6-31g(d).log.xz 000882693.td-b3lyp_6-31g+(d).inp 000882693.td-b3lyp_6-31g+(d).log.xz

000882693.td-b3lyp_6-31+g(d).qchem.inp (generated)

000882693.td-b3lyp_6-31+g(d).gjf (generated)

000882693.td-b3lyp_6-31+g(d).firefly.inp (generated)

000882693.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000882693.mol 000882693.PUBCHEM 000882693.mol (via Jmol)
000882710.b3lyp_6-31g(d).inp

000882710.b3lyp_6-31g(d).qchem.inp (generated)

000882710.b3lyp_6-31g(d).gjf (generated)

000882710.b3lyp_6-31g(d).firefly.inp (generated)

000882710.b3lyp_6-31g(d).smash.inp (generated)

000882710.b3lyp_6-31g(d).nwchem.inp (generated) 000882710.b3lyp_6-31g(d).log.xz 000882710.mol 000882710.PUBCHEM 000882710.mol (via Jmol)
000882720.b3lyp_6-31g(d).inp

000882720.b3lyp_6-31g(d).qchem.inp (generated)

000882720.b3lyp_6-31g(d).gjf (generated)

000882720.b3lyp_6-31g(d).firefly.inp (generated)

000882720.b3lyp_6-31g(d).smash.inp (generated)

000882720.b3lyp_6-31g(d).nwchem.inp (generated) 000882720.b3lyp_6-31g(d).log.xz 000882720.td-b3lyp_6-31g+(d).inp 000882720.td-b3lyp_6-31g+(d).log.xz

000882720.td-b3lyp_6-31+g(d).qchem.inp (generated)

000882720.td-b3lyp_6-31+g(d).gjf (generated)

000882720.td-b3lyp_6-31+g(d).firefly.inp (generated)

000882720.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000882720.mol 000882720.PUBCHEM 000882720.mol (via Jmol)
000882721.b3lyp_6-31g(d).inp

000882721.b3lyp_6-31g(d).qchem.inp (generated)

000882721.b3lyp_6-31g(d).gjf (generated)

000882721.b3lyp_6-31g(d).firefly.inp (generated)

000882721.b3lyp_6-31g(d).smash.inp (generated)

000882721.b3lyp_6-31g(d).nwchem.inp (generated) 000882721.b3lyp_6-31g(d).log.xz 000882721.mol 000882721.PUBCHEM 000882721.mol (via Jmol)
000882731.b3lyp_6-31g(d).inp

000882731.b3lyp_6-31g(d).qchem.inp (generated)

000882731.b3lyp_6-31g(d).gjf (generated)

000882731.b3lyp_6-31g(d).firefly.inp (generated)

000882731.b3lyp_6-31g(d).smash.inp (generated)

000882731.b3lyp_6-31g(d).nwchem.inp (generated) 000882731.b3lyp_6-31g(d).log.xz 000882731.td-b3lyp_6-31g+(d).inp 000882731.td-b3lyp_6-31g+(d).log.xz

000882731.td-b3lyp_6-31+g(d).qchem.inp (generated)

000882731.td-b3lyp_6-31+g(d).gjf (generated)

000882731.td-b3lyp_6-31+g(d).firefly.inp (generated)

000882731.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000882731.mol 000882731.PUBCHEM 000882731.mol (via Jmol)
000882849.b3lyp_6-31g(d).inp

000882849.b3lyp_6-31g(d).qchem.inp (generated)

000882849.b3lyp_6-31g(d).gjf (generated)

000882849.b3lyp_6-31g(d).firefly.inp (generated)

000882849.b3lyp_6-31g(d).smash.inp (generated)

000882849.b3lyp_6-31g(d).nwchem.inp (generated) 000882849.b3lyp_6-31g(d).log.xz 000882849.mol 000882849.PUBCHEM 000882849.mol (via Jmol)
000882877.b3lyp_6-31g(d).inp

000882877.b3lyp_6-31g(d).qchem.inp (generated)

000882877.b3lyp_6-31g(d).gjf (generated)

000882877.b3lyp_6-31g(d).firefly.inp (generated)

000882877.b3lyp_6-31g(d).smash.inp (generated)

000882877.b3lyp_6-31g(d).nwchem.inp (generated) 000882877.b3lyp_6-31g(d).log.xz 000882877.td-b3lyp_6-31g+(d).inp 000882877.td-b3lyp_6-31g+(d).log.xz

000882877.td-b3lyp_6-31+g(d).qchem.inp (generated)

000882877.td-b3lyp_6-31+g(d).gjf (generated)

000882877.td-b3lyp_6-31+g(d).firefly.inp (generated)

000882877.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000882877.mol 000882877.PUBCHEM 000882877.mol (via Jmol)
000882878.b3lyp_6-31g(d).inp

000882878.b3lyp_6-31g(d).qchem.inp (generated)

000882878.b3lyp_6-31g(d).gjf (generated)

000882878.b3lyp_6-31g(d).firefly.inp (generated)

000882878.b3lyp_6-31g(d).smash.inp (generated)

000882878.b3lyp_6-31g(d).nwchem.inp (generated) 000882878.b3lyp_6-31g(d).log.xz 000882878.td-b3lyp_6-31g+(d).inp 000882878.td-b3lyp_6-31g+(d).log.xz

000882878.td-b3lyp_6-31+g(d).qchem.inp (generated)

000882878.td-b3lyp_6-31+g(d).gjf (generated)

000882878.td-b3lyp_6-31+g(d).firefly.inp (generated)

000882878.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000882878.mol 000882878.PUBCHEM 000882878.mol (via Jmol)
000882883.b3lyp_6-31g(d).inp

000882883.b3lyp_6-31g(d).qchem.inp (generated)

000882883.b3lyp_6-31g(d).gjf (generated)

000882883.b3lyp_6-31g(d).firefly.inp (generated)

000882883.b3lyp_6-31g(d).smash.inp (generated)

000882883.b3lyp_6-31g(d).nwchem.inp (generated) 000882883.b3lyp_6-31g(d).log.xz 000882883.td-b3lyp_6-31g+(d).inp 000882883.td-b3lyp_6-31g+(d).log.xz

000882883.td-b3lyp_6-31+g(d).qchem.inp (generated)

000882883.td-b3lyp_6-31+g(d).gjf (generated)

000882883.td-b3lyp_6-31+g(d).firefly.inp (generated)

000882883.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000882883.mol 000882883.PUBCHEM 000882883.mol (via Jmol)
000882893.b3lyp_6-31g(d).inp

000882893.b3lyp_6-31g(d).qchem.inp (generated)

000882893.b3lyp_6-31g(d).gjf (generated)

000882893.b3lyp_6-31g(d).firefly.inp (generated)

000882893.b3lyp_6-31g(d).smash.inp (generated)

000882893.b3lyp_6-31g(d).nwchem.inp (generated) 000882893.b3lyp_6-31g(d).log.xz 000882893.td-b3lyp_6-31g+(d).inp 000882893.td-b3lyp_6-31g+(d).log.xz

000882893.td-b3lyp_6-31+g(d).qchem.inp (generated)

000882893.td-b3lyp_6-31+g(d).gjf (generated)

000882893.td-b3lyp_6-31+g(d).firefly.inp (generated)

000882893.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000882893.mol 000882893.PUBCHEM 000882893.mol (via Jmol)
000882927.b3lyp_6-31g(d).inp

000882927.b3lyp_6-31g(d).qchem.inp (generated)

000882927.b3lyp_6-31g(d).gjf (generated)

000882927.b3lyp_6-31g(d).firefly.inp (generated)

000882927.b3lyp_6-31g(d).smash.inp (generated)

000882927.b3lyp_6-31g(d).nwchem.inp (generated) 000882927.b3lyp_6-31g(d).log.xz 000882927.td-b3lyp_6-31g+(d).inp 000882927.td-b3lyp_6-31g+(d).log.xz

000882927.td-b3lyp_6-31+g(d).qchem.inp (generated)

000882927.td-b3lyp_6-31+g(d).gjf (generated)

000882927.td-b3lyp_6-31+g(d).firefly.inp (generated)

000882927.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000882927.mol 000882927.PUBCHEM 000882927.mol (via Jmol)
000882932.b3lyp_6-31g(d).inp

000882932.b3lyp_6-31g(d).qchem.inp (generated)

000882932.b3lyp_6-31g(d).gjf (generated)

000882932.b3lyp_6-31g(d).firefly.inp (generated)

000882932.b3lyp_6-31g(d).smash.inp (generated)

000882932.b3lyp_6-31g(d).nwchem.inp (generated) 000882932.b3lyp_6-31g(d).log.xz 000882932.td-b3lyp_6-31g+(d).inp 000882932.td-b3lyp_6-31g+(d).log.xz

000882932.td-b3lyp_6-31+g(d).qchem.inp (generated)

000882932.td-b3lyp_6-31+g(d).gjf (generated)

000882932.td-b3lyp_6-31+g(d).firefly.inp (generated)

000882932.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000882932.mol 000882932.PUBCHEM 000882932.mol (via Jmol)
000882948.b3lyp_6-31g(d).inp

000882948.b3lyp_6-31g(d).qchem.inp (generated)

000882948.b3lyp_6-31g(d).gjf (generated)

000882948.b3lyp_6-31g(d).firefly.inp (generated)

000882948.b3lyp_6-31g(d).smash.inp (generated)

000882948.b3lyp_6-31g(d).nwchem.inp (generated) 000882948.b3lyp_6-31g(d).log.xz 000882948.mol 000882948.PUBCHEM 000882948.mol (via Jmol)
000882949.b3lyp_6-31g(d).inp

000882949.b3lyp_6-31g(d).qchem.inp (generated)

000882949.b3lyp_6-31g(d).gjf (generated)

000882949.b3lyp_6-31g(d).firefly.inp (generated)

000882949.b3lyp_6-31g(d).smash.inp (generated)

000882949.b3lyp_6-31g(d).nwchem.inp (generated) 000882949.b3lyp_6-31g(d).log.xz 000882949.td-b3lyp_6-31g+(d).inp 000882949.td-b3lyp_6-31g+(d).log.xz

000882949.td-b3lyp_6-31+g(d).qchem.inp (generated)

000882949.td-b3lyp_6-31+g(d).gjf (generated)

000882949.td-b3lyp_6-31+g(d).firefly.inp (generated)

000882949.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000882949.mol 000882949.PUBCHEM 000882949.mol (via Jmol)
000882966.b3lyp_6-31g(d).inp

000882966.b3lyp_6-31g(d).qchem.inp (generated)

000882966.b3lyp_6-31g(d).gjf (generated)

000882966.b3lyp_6-31g(d).firefly.inp (generated)

000882966.b3lyp_6-31g(d).smash.inp (generated)

000882966.b3lyp_6-31g(d).nwchem.inp (generated) 000882966.b3lyp_6-31g(d).log.xz 000882966.td-b3lyp_6-31g+(d).inp 000882966.td-b3lyp_6-31g+(d).log.xz

000882966.td-b3lyp_6-31+g(d).qchem.inp (generated)

000882966.td-b3lyp_6-31+g(d).gjf (generated)

000882966.td-b3lyp_6-31+g(d).firefly.inp (generated)

000882966.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000882966.mol 000882966.PUBCHEM 000882966.mol (via Jmol)
000883004.b3lyp_6-31g(d).inp

000883004.b3lyp_6-31g(d).qchem.inp (generated)

000883004.b3lyp_6-31g(d).gjf (generated)

000883004.b3lyp_6-31g(d).firefly.inp (generated)

000883004.b3lyp_6-31g(d).smash.inp (generated)

000883004.b3lyp_6-31g(d).nwchem.inp (generated) 000883004.b3lyp_6-31g(d).log.xz 000883004.td-b3lyp_6-31g+(d).inp 000883004.td-b3lyp_6-31g+(d).log.xz

000883004.td-b3lyp_6-31+g(d).qchem.inp (generated)

000883004.td-b3lyp_6-31+g(d).gjf (generated)

000883004.td-b3lyp_6-31+g(d).firefly.inp (generated)

000883004.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000883004.mol 000883004.PUBCHEM 000883004.mol (via Jmol)
000883026.b3lyp_6-31g(d).inp

000883026.b3lyp_6-31g(d).qchem.inp (generated)

000883026.b3lyp_6-31g(d).gjf (generated)

000883026.b3lyp_6-31g(d).firefly.inp (generated)

000883026.b3lyp_6-31g(d).smash.inp (generated)

000883026.b3lyp_6-31g(d).nwchem.inp (generated) 000883026.b3lyp_6-31g(d).log.xz 000883026.mol 000883026.PUBCHEM 000883026.mol (via Jmol)
000883087.b3lyp_6-31g(d).inp

000883087.b3lyp_6-31g(d).qchem.inp (generated)

000883087.b3lyp_6-31g(d).gjf (generated)

000883087.b3lyp_6-31g(d).firefly.inp (generated)

000883087.b3lyp_6-31g(d).smash.inp (generated)

000883087.b3lyp_6-31g(d).nwchem.inp (generated) 000883087.b3lyp_6-31g(d).log.xz 000883087.td-b3lyp_6-31g+(d).inp 000883087.td-b3lyp_6-31g+(d).log.xz

000883087.td-b3lyp_6-31+g(d).qchem.inp (generated)

000883087.td-b3lyp_6-31+g(d).gjf (generated)

000883087.td-b3lyp_6-31+g(d).firefly.inp (generated)

000883087.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000883087.mol 000883087.PUBCHEM 000883087.mol (via Jmol)
000883112.b3lyp_6-31g(d).inp

000883112.b3lyp_6-31g(d).qchem.inp (generated)

000883112.b3lyp_6-31g(d).gjf (generated)

000883112.b3lyp_6-31g(d).firefly.inp (generated)

000883112.b3lyp_6-31g(d).smash.inp (generated)

000883112.b3lyp_6-31g(d).nwchem.inp (generated) 000883112.b3lyp_6-31g(d).log.xz 000883112.mol 000883112.PUBCHEM 000883112.mol (via Jmol)
000883113.b3lyp_6-31g(d).inp

000883113.b3lyp_6-31g(d).qchem.inp (generated)

000883113.b3lyp_6-31g(d).gjf (generated)

000883113.b3lyp_6-31g(d).firefly.inp (generated)

000883113.b3lyp_6-31g(d).smash.inp (generated)

000883113.b3lyp_6-31g(d).nwchem.inp (generated) 000883113.b3lyp_6-31g(d).log.xz 000883113.mol 000883113.PUBCHEM 000883113.mol (via Jmol)
000883207.b3lyp_6-31g(d).inp

000883207.b3lyp_6-31g(d).qchem.inp (generated)

000883207.b3lyp_6-31g(d).gjf (generated)

000883207.b3lyp_6-31g(d).firefly.inp (generated)

000883207.b3lyp_6-31g(d).smash.inp (generated)

000883207.b3lyp_6-31g(d).nwchem.inp (generated) 000883207.b3lyp_6-31g(d).log.xz 000883207.td-b3lyp_6-31g+(d).inp 000883207.td-b3lyp_6-31g+(d).log.xz

000883207.td-b3lyp_6-31+g(d).qchem.inp (generated)

000883207.td-b3lyp_6-31+g(d).gjf (generated)

000883207.td-b3lyp_6-31+g(d).firefly.inp (generated)

000883207.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000883207.mol 000883207.PUBCHEM 000883207.mol (via Jmol)
000883279.b3lyp_6-31g(d).inp

000883279.b3lyp_6-31g(d).qchem.inp (generated)

000883279.b3lyp_6-31g(d).gjf (generated)

000883279.b3lyp_6-31g(d).firefly.inp (generated)

000883279.b3lyp_6-31g(d).smash.inp (generated)

000883279.b3lyp_6-31g(d).nwchem.inp (generated) 000883279.b3lyp_6-31g(d).log.xz 000883279.td-b3lyp_6-31g+(d).inp 000883279.td-b3lyp_6-31g+(d).log.xz

000883279.td-b3lyp_6-31+g(d).qchem.inp (generated)

000883279.td-b3lyp_6-31+g(d).gjf (generated)

000883279.td-b3lyp_6-31+g(d).firefly.inp (generated)

000883279.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000883279.mol 000883279.PUBCHEM 000883279.mol (via Jmol)
000883288.b3lyp_6-31g(d).inp

000883288.b3lyp_6-31g(d).qchem.inp (generated)

000883288.b3lyp_6-31g(d).gjf (generated)

000883288.b3lyp_6-31g(d).firefly.inp (generated)

000883288.b3lyp_6-31g(d).smash.inp (generated)

000883288.b3lyp_6-31g(d).nwchem.inp (generated) 000883288.b3lyp_6-31g(d).log.xz 000883288.td-b3lyp_6-31g+(d).inp 000883288.td-b3lyp_6-31g+(d).log.xz

000883288.td-b3lyp_6-31+g(d).qchem.inp (generated)

000883288.td-b3lyp_6-31+g(d).gjf (generated)

000883288.td-b3lyp_6-31+g(d).firefly.inp (generated)

000883288.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000883288.mol 000883288.PUBCHEM 000883288.mol (via Jmol)
000883289.b3lyp_6-31g(d).inp

000883289.b3lyp_6-31g(d).qchem.inp (generated)

000883289.b3lyp_6-31g(d).gjf (generated)

000883289.b3lyp_6-31g(d).firefly.inp (generated)

000883289.b3lyp_6-31g(d).smash.inp (generated)

000883289.b3lyp_6-31g(d).nwchem.inp (generated) 000883289.b3lyp_6-31g(d).log.xz 000883289.td-b3lyp_6-31g+(d).inp 000883289.td-b3lyp_6-31g+(d).log.xz

000883289.td-b3lyp_6-31+g(d).qchem.inp (generated)

000883289.td-b3lyp_6-31+g(d).gjf (generated)

000883289.td-b3lyp_6-31+g(d).firefly.inp (generated)

000883289.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000883289.mol 000883289.PUBCHEM 000883289.mol (via Jmol)
000883307.b3lyp_6-31g(d).inp

000883307.b3lyp_6-31g(d).qchem.inp (generated)

000883307.b3lyp_6-31g(d).gjf (generated)

000883307.b3lyp_6-31g(d).firefly.inp (generated)

000883307.b3lyp_6-31g(d).smash.inp (generated)

000883307.b3lyp_6-31g(d).nwchem.inp (generated) 000883307.b3lyp_6-31g(d).log.xz 000883307.td-b3lyp_6-31g+(d).inp 000883307.td-b3lyp_6-31g+(d).log.xz

000883307.td-b3lyp_6-31+g(d).qchem.inp (generated)

000883307.td-b3lyp_6-31+g(d).gjf (generated)

000883307.td-b3lyp_6-31+g(d).firefly.inp (generated)

000883307.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000883307.mol 000883307.PUBCHEM 000883307.mol (via Jmol)
000883308.b3lyp_6-31g(d).inp

000883308.b3lyp_6-31g(d).qchem.inp (generated)

000883308.b3lyp_6-31g(d).gjf (generated)

000883308.b3lyp_6-31g(d).firefly.inp (generated)

000883308.b3lyp_6-31g(d).smash.inp (generated)

000883308.b3lyp_6-31g(d).nwchem.inp (generated) 000883308.b3lyp_6-31g(d).log.xz 000883308.td-b3lyp_6-31g+(d).inp 000883308.td-b3lyp_6-31g+(d).log.xz

000883308.td-b3lyp_6-31+g(d).qchem.inp (generated)

000883308.td-b3lyp_6-31+g(d).gjf (generated)

000883308.td-b3lyp_6-31+g(d).firefly.inp (generated)

000883308.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000883308.mol 000883308.PUBCHEM 000883308.mol (via Jmol)
000883317.b3lyp_6-31g(d).inp

000883317.b3lyp_6-31g(d).qchem.inp (generated)

000883317.b3lyp_6-31g(d).gjf (generated)

000883317.b3lyp_6-31g(d).firefly.inp (generated)

000883317.b3lyp_6-31g(d).smash.inp (generated)

000883317.b3lyp_6-31g(d).nwchem.inp (generated) 000883317.b3lyp_6-31g(d).log.xz 000883317.td-b3lyp_6-31g+(d).inp 000883317.td-b3lyp_6-31g+(d).log.xz

000883317.td-b3lyp_6-31+g(d).qchem.inp (generated)

000883317.td-b3lyp_6-31+g(d).gjf (generated)

000883317.td-b3lyp_6-31+g(d).firefly.inp (generated)

000883317.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000883317.mol 000883317.PUBCHEM 000883317.mol (via Jmol)
000883327.b3lyp_6-31g(d).inp

000883327.b3lyp_6-31g(d).qchem.inp (generated)

000883327.b3lyp_6-31g(d).gjf (generated)

000883327.b3lyp_6-31g(d).firefly.inp (generated)

000883327.b3lyp_6-31g(d).smash.inp (generated)

000883327.b3lyp_6-31g(d).nwchem.inp (generated) 000883327.b3lyp_6-31g(d).log.xz 000883327.mol 000883327.PUBCHEM 000883327.mol (via Jmol)
000883332.b3lyp_6-31g(d).inp

000883332.b3lyp_6-31g(d).qchem.inp (generated)

000883332.b3lyp_6-31g(d).gjf (generated)

000883332.b3lyp_6-31g(d).firefly.inp (generated)

000883332.b3lyp_6-31g(d).smash.inp (generated)

000883332.b3lyp_6-31g(d).nwchem.inp (generated) 000883332.b3lyp_6-31g(d).log.xz 000883332.td-b3lyp_6-31g+(d).inp 000883332.td-b3lyp_6-31g+(d).log.xz

000883332.td-b3lyp_6-31+g(d).qchem.inp (generated)

000883332.td-b3lyp_6-31+g(d).gjf (generated)

000883332.td-b3lyp_6-31+g(d).firefly.inp (generated)

000883332.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000883332.mol 000883332.PUBCHEM 000883332.mol (via Jmol)
000883333.b3lyp_6-31g(d).inp

000883333.b3lyp_6-31g(d).qchem.inp (generated)

000883333.b3lyp_6-31g(d).gjf (generated)

000883333.b3lyp_6-31g(d).firefly.inp (generated)

000883333.b3lyp_6-31g(d).smash.inp (generated)

000883333.b3lyp_6-31g(d).nwchem.inp (generated) 000883333.b3lyp_6-31g(d).log.xz 000883333.td-b3lyp_6-31g+(d).inp 000883333.td-b3lyp_6-31g+(d).log.xz

000883333.td-b3lyp_6-31+g(d).qchem.inp (generated)

000883333.td-b3lyp_6-31+g(d).gjf (generated)

000883333.td-b3lyp_6-31+g(d).firefly.inp (generated)

000883333.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000883333.mol 000883333.PUBCHEM 000883333.mol (via Jmol)
000883356.b3lyp_6-31g(d).inp

000883356.b3lyp_6-31g(d).qchem.inp (generated)

000883356.b3lyp_6-31g(d).gjf (generated)

000883356.b3lyp_6-31g(d).firefly.inp (generated)

000883356.b3lyp_6-31g(d).smash.inp (generated)

000883356.b3lyp_6-31g(d).nwchem.inp (generated) 000883356.b3lyp_6-31g(d).log.xz 000883356.td-b3lyp_6-31g+(d).inp 000883356.td-b3lyp_6-31g+(d).log.xz

000883356.td-b3lyp_6-31+g(d).qchem.inp (generated)

000883356.td-b3lyp_6-31+g(d).gjf (generated)

000883356.td-b3lyp_6-31+g(d).firefly.inp (generated)

000883356.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000883356.mol 000883356.PUBCHEM 000883356.mol (via Jmol)
000883393.b3lyp_6-31g(d).inp

000883393.b3lyp_6-31g(d).qchem.inp (generated)

000883393.b3lyp_6-31g(d).gjf (generated)

000883393.b3lyp_6-31g(d).firefly.inp (generated)

000883393.b3lyp_6-31g(d).smash.inp (generated)

000883393.b3lyp_6-31g(d).nwchem.inp (generated) 000883393.b3lyp_6-31g(d).log.xz 000883393.td-b3lyp_6-31g+(d).inp 000883393.td-b3lyp_6-31g+(d).log.xz

000883393.td-b3lyp_6-31+g(d).qchem.inp (generated)

000883393.td-b3lyp_6-31+g(d).gjf (generated)

000883393.td-b3lyp_6-31+g(d).firefly.inp (generated)

000883393.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000883393.mol 000883393.PUBCHEM 000883393.mol (via Jmol)
000883403.b3lyp_6-31g(d).inp

000883403.b3lyp_6-31g(d).qchem.inp (generated)

000883403.b3lyp_6-31g(d).gjf (generated)

000883403.b3lyp_6-31g(d).firefly.inp (generated)

000883403.b3lyp_6-31g(d).smash.inp (generated)

000883403.b3lyp_6-31g(d).nwchem.inp (generated) 000883403.b3lyp_6-31g(d).log.xz 000883403.td-b3lyp_6-31g+(d).inp 000883403.td-b3lyp_6-31g+(d).log.xz

000883403.td-b3lyp_6-31+g(d).qchem.inp (generated)

000883403.td-b3lyp_6-31+g(d).gjf (generated)

000883403.td-b3lyp_6-31+g(d).firefly.inp (generated)

000883403.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000883403.mol 000883403.PUBCHEM 000883403.mol (via Jmol)
000883425.b3lyp_6-31g(d).inp

000883425.b3lyp_6-31g(d).qchem.inp (generated)

000883425.b3lyp_6-31g(d).gjf (generated)

000883425.b3lyp_6-31g(d).firefly.inp (generated)

000883425.b3lyp_6-31g(d).smash.inp (generated)

000883425.b3lyp_6-31g(d).nwchem.inp (generated) 000883425.b3lyp_6-31g(d).log.xz 000883425.td-b3lyp_6-31g+(d).inp 000883425.td-b3lyp_6-31g+(d).log.xz

000883425.td-b3lyp_6-31+g(d).qchem.inp (generated)

000883425.td-b3lyp_6-31+g(d).gjf (generated)

000883425.td-b3lyp_6-31+g(d).firefly.inp (generated)

000883425.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000883425.mol 000883425.PUBCHEM 000883425.mol (via Jmol)
000883431.b3lyp_6-31g(d).inp

000883431.b3lyp_6-31g(d).qchem.inp (generated)

000883431.b3lyp_6-31g(d).gjf (generated)

000883431.b3lyp_6-31g(d).firefly.inp (generated)

000883431.b3lyp_6-31g(d).smash.inp (generated)

000883431.b3lyp_6-31g(d).nwchem.inp (generated) 000883431.b3lyp_6-31g(d).log.xz 000883431.td-b3lyp_6-31g+(d).inp 000883431.td-b3lyp_6-31g+(d).log.xz

000883431.td-b3lyp_6-31+g(d).qchem.inp (generated)

000883431.td-b3lyp_6-31+g(d).gjf (generated)

000883431.td-b3lyp_6-31+g(d).firefly.inp (generated)

000883431.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000883431.mol 000883431.PUBCHEM 000883431.mol (via Jmol)
000883434.b3lyp_6-31g(d).inp

000883434.b3lyp_6-31g(d).qchem.inp (generated)

000883434.b3lyp_6-31g(d).gjf (generated)

000883434.b3lyp_6-31g(d).firefly.inp (generated)

000883434.b3lyp_6-31g(d).smash.inp (generated)

000883434.b3lyp_6-31g(d).nwchem.inp (generated) 000883434.b3lyp_6-31g(d).log.xz 000883434.td-b3lyp_6-31g+(d).inp 000883434.td-b3lyp_6-31g+(d).log.xz

000883434.td-b3lyp_6-31+g(d).qchem.inp (generated)

000883434.td-b3lyp_6-31+g(d).gjf (generated)

000883434.td-b3lyp_6-31+g(d).firefly.inp (generated)

000883434.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000883434.mol 000883434.PUBCHEM 000883434.mol (via Jmol)
000883500.b3lyp_6-31g(d).inp

000883500.b3lyp_6-31g(d).qchem.inp (generated)

000883500.b3lyp_6-31g(d).gjf (generated)

000883500.b3lyp_6-31g(d).firefly.inp (generated)

000883500.b3lyp_6-31g(d).smash.inp (generated)

000883500.b3lyp_6-31g(d).nwchem.inp (generated) 000883500.b3lyp_6-31g(d).log.xz 000883500.td-b3lyp_6-31g+(d).inp 000883500.td-b3lyp_6-31g+(d).log.xz

000883500.td-b3lyp_6-31+g(d).qchem.inp (generated)

000883500.td-b3lyp_6-31+g(d).gjf (generated)

000883500.td-b3lyp_6-31+g(d).firefly.inp (generated)

000883500.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000883500.mol 000883500.PUBCHEM 000883500.mol (via Jmol)
000883502.b3lyp_6-31g(d).inp

000883502.b3lyp_6-31g(d).qchem.inp (generated)

000883502.b3lyp_6-31g(d).gjf (generated)

000883502.b3lyp_6-31g(d).firefly.inp (generated)

000883502.b3lyp_6-31g(d).smash.inp (generated)

000883502.b3lyp_6-31g(d).nwchem.inp (generated) 000883502.b3lyp_6-31g(d).log.xz 000883502.td-b3lyp_6-31g+(d).inp 000883502.td-b3lyp_6-31g+(d).log.xz

000883502.td-b3lyp_6-31+g(d).qchem.inp (generated)

000883502.td-b3lyp_6-31+g(d).gjf (generated)

000883502.td-b3lyp_6-31+g(d).firefly.inp (generated)

000883502.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000883502.mol 000883502.PUBCHEM 000883502.mol (via Jmol)
000883503.b3lyp_6-31g(d).inp

000883503.b3lyp_6-31g(d).qchem.inp (generated)

000883503.b3lyp_6-31g(d).gjf (generated)

000883503.b3lyp_6-31g(d).firefly.inp (generated)

000883503.b3lyp_6-31g(d).smash.inp (generated)

000883503.b3lyp_6-31g(d).nwchem.inp (generated) 000883503.b3lyp_6-31g(d).log.xz 000883503.td-b3lyp_6-31g+(d).inp 000883503.td-b3lyp_6-31g+(d).log.xz

000883503.td-b3lyp_6-31+g(d).qchem.inp (generated)

000883503.td-b3lyp_6-31+g(d).gjf (generated)

000883503.td-b3lyp_6-31+g(d).firefly.inp (generated)

000883503.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000883503.mol 000883503.PUBCHEM 000883503.mol (via Jmol)
000883504.b3lyp_6-31g(d).inp

000883504.b3lyp_6-31g(d).qchem.inp (generated)

000883504.b3lyp_6-31g(d).gjf (generated)

000883504.b3lyp_6-31g(d).firefly.inp (generated)

000883504.b3lyp_6-31g(d).smash.inp (generated)

000883504.b3lyp_6-31g(d).nwchem.inp (generated) 000883504.b3lyp_6-31g(d).log.xz 000883504.td-b3lyp_6-31g+(d).inp 000883504.td-b3lyp_6-31g+(d).log.xz

000883504.td-b3lyp_6-31+g(d).qchem.inp (generated)

000883504.td-b3lyp_6-31+g(d).gjf (generated)

000883504.td-b3lyp_6-31+g(d).firefly.inp (generated)

000883504.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000883504.mol 000883504.PUBCHEM 000883504.mol (via Jmol)
000883509.b3lyp_6-31g(d).inp

000883509.b3lyp_6-31g(d).qchem.inp (generated)

000883509.b3lyp_6-31g(d).gjf (generated)

000883509.b3lyp_6-31g(d).firefly.inp (generated)

000883509.b3lyp_6-31g(d).smash.inp (generated)

000883509.b3lyp_6-31g(d).nwchem.inp (generated) 000883509.b3lyp_6-31g(d).log.xz 000883509.mol 000883509.PUBCHEM 000883509.mol (via Jmol)
000883524.b3lyp_6-31g(d).inp

000883524.b3lyp_6-31g(d).qchem.inp (generated)

000883524.b3lyp_6-31g(d).gjf (generated)

000883524.b3lyp_6-31g(d).firefly.inp (generated)

000883524.b3lyp_6-31g(d).smash.inp (generated)

000883524.b3lyp_6-31g(d).nwchem.inp (generated) 000883524.b3lyp_6-31g(d).log.xz 000883524.mol 000883524.PUBCHEM 000883524.mol (via Jmol)
000883545.b3lyp_6-31g(d).inp

000883545.b3lyp_6-31g(d).qchem.inp (generated)

000883545.b3lyp_6-31g(d).gjf (generated)

000883545.b3lyp_6-31g(d).firefly.inp (generated)

000883545.b3lyp_6-31g(d).smash.inp (generated)

000883545.b3lyp_6-31g(d).nwchem.inp (generated) 000883545.b3lyp_6-31g(d).log.xz 000883545.td-b3lyp_6-31g+(d).inp 000883545.td-b3lyp_6-31g+(d).log.xz

000883545.td-b3lyp_6-31+g(d).qchem.inp (generated)

000883545.td-b3lyp_6-31+g(d).gjf (generated)

000883545.td-b3lyp_6-31+g(d).firefly.inp (generated)

000883545.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000883545.mol 000883545.PUBCHEM 000883545.mol (via Jmol)
000883561.b3lyp_6-31g(d).inp

000883561.b3lyp_6-31g(d).qchem.inp (generated)

000883561.b3lyp_6-31g(d).gjf (generated)

000883561.b3lyp_6-31g(d).firefly.inp (generated)

000883561.b3lyp_6-31g(d).smash.inp (generated)

000883561.b3lyp_6-31g(d).nwchem.inp (generated) 000883561.b3lyp_6-31g(d).log.xz 000883561.td-b3lyp_6-31g+(d).inp 000883561.td-b3lyp_6-31g+(d).log.xz

000883561.td-b3lyp_6-31+g(d).qchem.inp (generated)

000883561.td-b3lyp_6-31+g(d).gjf (generated)

000883561.td-b3lyp_6-31+g(d).firefly.inp (generated)

000883561.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000883561.mol 000883561.PUBCHEM 000883561.mol (via Jmol)
000883573.b3lyp_6-31g(d).inp

000883573.b3lyp_6-31g(d).qchem.inp (generated)

000883573.b3lyp_6-31g(d).gjf (generated)

000883573.b3lyp_6-31g(d).firefly.inp (generated)

000883573.b3lyp_6-31g(d).smash.inp (generated)

000883573.b3lyp_6-31g(d).nwchem.inp (generated) 000883573.b3lyp_6-31g(d).log.xz 000883573.td-b3lyp_6-31g+(d).inp 000883573.td-b3lyp_6-31g+(d).log.xz

000883573.td-b3lyp_6-31+g(d).qchem.inp (generated)

000883573.td-b3lyp_6-31+g(d).gjf (generated)

000883573.td-b3lyp_6-31+g(d).firefly.inp (generated)

000883573.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000883573.mol 000883573.PUBCHEM 000883573.mol (via Jmol)
000883585.b3lyp_6-31g(d).inp

000883585.b3lyp_6-31g(d).qchem.inp (generated)

000883585.b3lyp_6-31g(d).gjf (generated)

000883585.b3lyp_6-31g(d).firefly.inp (generated)

000883585.b3lyp_6-31g(d).smash.inp (generated)

000883585.b3lyp_6-31g(d).nwchem.inp (generated) 000883585.b3lyp_6-31g(d).log.xz 000883585.mol 000883585.PUBCHEM 000883585.mol (via Jmol)
000883592.b3lyp_6-31g(d).inp

000883592.b3lyp_6-31g(d).qchem.inp (generated)

000883592.b3lyp_6-31g(d).gjf (generated)

000883592.b3lyp_6-31g(d).firefly.inp (generated)

000883592.b3lyp_6-31g(d).smash.inp (generated)

000883592.b3lyp_6-31g(d).nwchem.inp (generated) 000883592.b3lyp_6-31g(d).log.xz 000883592.td-b3lyp_6-31g+(d).inp 000883592.td-b3lyp_6-31g+(d).log.xz

000883592.td-b3lyp_6-31+g(d).qchem.inp (generated)

000883592.td-b3lyp_6-31+g(d).gjf (generated)

000883592.td-b3lyp_6-31+g(d).firefly.inp (generated)

000883592.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000883592.mol 000883592.PUBCHEM 000883592.mol (via Jmol)
000883596.b3lyp_6-31g(d).inp

000883596.b3lyp_6-31g(d).qchem.inp (generated)

000883596.b3lyp_6-31g(d).gjf (generated)

000883596.b3lyp_6-31g(d).firefly.inp (generated)

000883596.b3lyp_6-31g(d).smash.inp (generated)

000883596.b3lyp_6-31g(d).nwchem.inp (generated) 000883596.b3lyp_6-31g(d).log.xz 000883596.td-b3lyp_6-31g+(d).inp 000883596.td-b3lyp_6-31g+(d).log.xz

000883596.td-b3lyp_6-31+g(d).qchem.inp (generated)

000883596.td-b3lyp_6-31+g(d).gjf (generated)

000883596.td-b3lyp_6-31+g(d).firefly.inp (generated)

000883596.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000883596.mol 000883596.PUBCHEM 000883596.mol (via Jmol)
000883645.b3lyp_6-31g(d).inp

000883645.b3lyp_6-31g(d).qchem.inp (generated)

000883645.b3lyp_6-31g(d).gjf (generated)

000883645.b3lyp_6-31g(d).firefly.inp (generated)

000883645.b3lyp_6-31g(d).smash.inp (generated)

000883645.b3lyp_6-31g(d).nwchem.inp (generated) 000883645.b3lyp_6-31g(d).log.xz 000883645.td-b3lyp_6-31g+(d).inp 000883645.td-b3lyp_6-31g+(d).log.xz

000883645.td-b3lyp_6-31+g(d).qchem.inp (generated)

000883645.td-b3lyp_6-31+g(d).gjf (generated)

000883645.td-b3lyp_6-31+g(d).firefly.inp (generated)

000883645.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000883645.mol 000883645.PUBCHEM 000883645.mol (via Jmol)
000883665.b3lyp_6-31g(d).inp

000883665.b3lyp_6-31g(d).qchem.inp (generated)

000883665.b3lyp_6-31g(d).gjf (generated)

000883665.b3lyp_6-31g(d).firefly.inp (generated)

000883665.b3lyp_6-31g(d).smash.inp (generated)

000883665.b3lyp_6-31g(d).nwchem.inp (generated) 000883665.b3lyp_6-31g(d).log.xz 000883665.mol 000883665.PUBCHEM 000883665.mol (via Jmol)
000883671.b3lyp_6-31g(d).inp

000883671.b3lyp_6-31g(d).qchem.inp (generated)

000883671.b3lyp_6-31g(d).gjf (generated)

000883671.b3lyp_6-31g(d).firefly.inp (generated)

000883671.b3lyp_6-31g(d).smash.inp (generated)

000883671.b3lyp_6-31g(d).nwchem.inp (generated) 000883671.b3lyp_6-31g(d).log.xz 000883671.td-b3lyp_6-31g+(d).inp 000883671.td-b3lyp_6-31g+(d).log.xz

000883671.td-b3lyp_6-31+g(d).qchem.inp (generated)

000883671.td-b3lyp_6-31+g(d).gjf (generated)

000883671.td-b3lyp_6-31+g(d).firefly.inp (generated)

000883671.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000883671.mol 000883671.PUBCHEM 000883671.mol (via Jmol)
000883680.b3lyp_6-31g(d).inp

000883680.b3lyp_6-31g(d).qchem.inp (generated)

000883680.b3lyp_6-31g(d).gjf (generated)

000883680.b3lyp_6-31g(d).firefly.inp (generated)

000883680.b3lyp_6-31g(d).smash.inp (generated)

000883680.b3lyp_6-31g(d).nwchem.inp (generated) 000883680.b3lyp_6-31g(d).log.xz 000883680.td-b3lyp_6-31g+(d).inp 000883680.td-b3lyp_6-31g+(d).log.xz

000883680.td-b3lyp_6-31+g(d).qchem.inp (generated)

000883680.td-b3lyp_6-31+g(d).gjf (generated)

000883680.td-b3lyp_6-31+g(d).firefly.inp (generated)

000883680.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000883680.mol 000883680.PUBCHEM 000883680.mol (via Jmol)
000883681.b3lyp_6-31g(d).inp

000883681.b3lyp_6-31g(d).qchem.inp (generated)

000883681.b3lyp_6-31g(d).gjf (generated)

000883681.b3lyp_6-31g(d).firefly.inp (generated)

000883681.b3lyp_6-31g(d).smash.inp (generated)

000883681.b3lyp_6-31g(d).nwchem.inp (generated) 000883681.b3lyp_6-31g(d).log.xz 000883681.td-b3lyp_6-31g+(d).inp 000883681.td-b3lyp_6-31g+(d).log.xz

000883681.td-b3lyp_6-31+g(d).qchem.inp (generated)

000883681.td-b3lyp_6-31+g(d).gjf (generated)

000883681.td-b3lyp_6-31+g(d).firefly.inp (generated)

000883681.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000883681.mol 000883681.PUBCHEM 000883681.mol (via Jmol)
000883685.b3lyp_6-31g(d).inp

000883685.b3lyp_6-31g(d).qchem.inp (generated)

000883685.b3lyp_6-31g(d).gjf (generated)

000883685.b3lyp_6-31g(d).firefly.inp (generated)

000883685.b3lyp_6-31g(d).smash.inp (generated)

000883685.b3lyp_6-31g(d).nwchem.inp (generated) 000883685.b3lyp_6-31g(d).log.xz 000883685.td-b3lyp_6-31g+(d).inp 000883685.td-b3lyp_6-31g+(d).log.xz

000883685.td-b3lyp_6-31+g(d).qchem.inp (generated)

000883685.td-b3lyp_6-31+g(d).gjf (generated)

000883685.td-b3lyp_6-31+g(d).firefly.inp (generated)

000883685.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000883685.mol 000883685.PUBCHEM 000883685.mol (via Jmol)
000883686.b3lyp_6-31g(d).inp

000883686.b3lyp_6-31g(d).qchem.inp (generated)

000883686.b3lyp_6-31g(d).gjf (generated)

000883686.b3lyp_6-31g(d).firefly.inp (generated)

000883686.b3lyp_6-31g(d).smash.inp (generated)

000883686.b3lyp_6-31g(d).nwchem.inp (generated) 000883686.b3lyp_6-31g(d).log.xz 000883686.td-b3lyp_6-31g+(d).inp 000883686.td-b3lyp_6-31g+(d).log.xz

000883686.td-b3lyp_6-31+g(d).qchem.inp (generated)

000883686.td-b3lyp_6-31+g(d).gjf (generated)

000883686.td-b3lyp_6-31+g(d).firefly.inp (generated)

000883686.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000883686.mol 000883686.PUBCHEM 000883686.mol (via Jmol)
000883699.b3lyp_6-31g(d).inp

000883699.b3lyp_6-31g(d).qchem.inp (generated)

000883699.b3lyp_6-31g(d).gjf (generated)

000883699.b3lyp_6-31g(d).firefly.inp (generated)

000883699.b3lyp_6-31g(d).smash.inp (generated)

000883699.b3lyp_6-31g(d).nwchem.inp (generated) 000883699.b3lyp_6-31g(d).log.xz 000883699.td-b3lyp_6-31g+(d).inp 000883699.td-b3lyp_6-31g+(d).log.xz

000883699.td-b3lyp_6-31+g(d).qchem.inp (generated)

000883699.td-b3lyp_6-31+g(d).gjf (generated)

000883699.td-b3lyp_6-31+g(d).firefly.inp (generated)

000883699.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000883699.mol 000883699.PUBCHEM 000883699.mol (via Jmol)
000883817.b3lyp_6-31g(d).inp

000883817.b3lyp_6-31g(d).qchem.inp (generated)

000883817.b3lyp_6-31g(d).gjf (generated)

000883817.b3lyp_6-31g(d).firefly.inp (generated)

000883817.b3lyp_6-31g(d).smash.inp (generated)

000883817.b3lyp_6-31g(d).nwchem.inp (generated) 000883817.b3lyp_6-31g(d).log.xz 000883817.td-b3lyp_6-31g+(d).inp 000883817.td-b3lyp_6-31g+(d).log.xz

000883817.td-b3lyp_6-31+g(d).qchem.inp (generated)

000883817.td-b3lyp_6-31+g(d).gjf (generated)

000883817.td-b3lyp_6-31+g(d).firefly.inp (generated)

000883817.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000883817.mol 000883817.PUBCHEM 000883817.mol (via Jmol)
000883837.b3lyp_6-31g(d).inp

000883837.b3lyp_6-31g(d).qchem.inp (generated)

000883837.b3lyp_6-31g(d).gjf (generated)

000883837.b3lyp_6-31g(d).firefly.inp (generated)

000883837.b3lyp_6-31g(d).smash.inp (generated)

000883837.b3lyp_6-31g(d).nwchem.inp (generated) 000883837.b3lyp_6-31g(d).log.xz 000883837.td-b3lyp_6-31g+(d).inp 000883837.td-b3lyp_6-31g+(d).log.xz

000883837.td-b3lyp_6-31+g(d).qchem.inp (generated)

000883837.td-b3lyp_6-31+g(d).gjf (generated)

000883837.td-b3lyp_6-31+g(d).firefly.inp (generated)

000883837.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000883837.mol 000883837.PUBCHEM 000883837.mol (via Jmol)
000883879.b3lyp_6-31g(d).inp

000883879.b3lyp_6-31g(d).qchem.inp (generated)

000883879.b3lyp_6-31g(d).gjf (generated)

000883879.b3lyp_6-31g(d).firefly.inp (generated)

000883879.b3lyp_6-31g(d).smash.inp (generated)

000883879.b3lyp_6-31g(d).nwchem.inp (generated) 000883879.b3lyp_6-31g(d).log.xz 000883879.mol 000883879.PUBCHEM 000883879.mol (via Jmol)
000883881.b3lyp_6-31g(d).inp

000883881.b3lyp_6-31g(d).qchem.inp (generated)

000883881.b3lyp_6-31g(d).gjf (generated)

000883881.b3lyp_6-31g(d).firefly.inp (generated)

000883881.b3lyp_6-31g(d).smash.inp (generated)

000883881.b3lyp_6-31g(d).nwchem.inp (generated) 000883881.b3lyp_6-31g(d).log.xz 000883881.td-b3lyp_6-31g+(d).inp 000883881.td-b3lyp_6-31g+(d).log.xz

000883881.td-b3lyp_6-31+g(d).qchem.inp (generated)

000883881.td-b3lyp_6-31+g(d).gjf (generated)

000883881.td-b3lyp_6-31+g(d).firefly.inp (generated)

000883881.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000883881.mol 000883881.PUBCHEM 000883881.mol (via Jmol)
000883892.b3lyp_6-31g(d).inp

000883892.b3lyp_6-31g(d).qchem.inp (generated)

000883892.b3lyp_6-31g(d).gjf (generated)

000883892.b3lyp_6-31g(d).firefly.inp (generated)

000883892.b3lyp_6-31g(d).smash.inp (generated)

000883892.b3lyp_6-31g(d).nwchem.inp (generated) 000883892.b3lyp_6-31g(d).log.xz 000883892.td-b3lyp_6-31g+(d).inp 000883892.td-b3lyp_6-31g+(d).log.xz

000883892.td-b3lyp_6-31+g(d).qchem.inp (generated)

000883892.td-b3lyp_6-31+g(d).gjf (generated)

000883892.td-b3lyp_6-31+g(d).firefly.inp (generated)

000883892.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000883892.mol 000883892.PUBCHEM 000883892.mol (via Jmol)
000883948.b3lyp_6-31g(d).inp

000883948.b3lyp_6-31g(d).qchem.inp (generated)

000883948.b3lyp_6-31g(d).gjf (generated)

000883948.b3lyp_6-31g(d).firefly.inp (generated)

000883948.b3lyp_6-31g(d).smash.inp (generated)

000883948.b3lyp_6-31g(d).nwchem.inp (generated) 000883948.b3lyp_6-31g(d).log.xz 000883948.td-b3lyp_6-31g+(d).inp 000883948.td-b3lyp_6-31g+(d).log.xz

000883948.td-b3lyp_6-31+g(d).qchem.inp (generated)

000883948.td-b3lyp_6-31+g(d).gjf (generated)

000883948.td-b3lyp_6-31+g(d).firefly.inp (generated)

000883948.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000883948.mol 000883948.PUBCHEM 000883948.mol (via Jmol)
000883963.b3lyp_6-31g(d).inp

000883963.b3lyp_6-31g(d).qchem.inp (generated)

000883963.b3lyp_6-31g(d).gjf (generated)

000883963.b3lyp_6-31g(d).firefly.inp (generated)

000883963.b3lyp_6-31g(d).smash.inp (generated)

000883963.b3lyp_6-31g(d).nwchem.inp (generated) 000883963.b3lyp_6-31g(d).log.xz 000883963.td-b3lyp_6-31g+(d).inp 000883963.td-b3lyp_6-31g+(d).log.xz

000883963.td-b3lyp_6-31+g(d).qchem.inp (generated)

000883963.td-b3lyp_6-31+g(d).gjf (generated)

000883963.td-b3lyp_6-31+g(d).firefly.inp (generated)

000883963.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000883963.mol 000883963.PUBCHEM 000883963.mol (via Jmol)
000883967.b3lyp_6-31g(d).inp

000883967.b3lyp_6-31g(d).qchem.inp (generated)

000883967.b3lyp_6-31g(d).gjf (generated)

000883967.b3lyp_6-31g(d).firefly.inp (generated)

000883967.b3lyp_6-31g(d).smash.inp (generated)

000883967.b3lyp_6-31g(d).nwchem.inp (generated) 000883967.b3lyp_6-31g(d).log.xz 000883967.td-b3lyp_6-31g+(d).inp 000883967.td-b3lyp_6-31g+(d).log.xz

000883967.td-b3lyp_6-31+g(d).qchem.inp (generated)

000883967.td-b3lyp_6-31+g(d).gjf (generated)

000883967.td-b3lyp_6-31+g(d).firefly.inp (generated)

000883967.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000883967.mol 000883967.PUBCHEM 000883967.mol (via Jmol)
000883972.b3lyp_6-31g(d).inp

000883972.b3lyp_6-31g(d).qchem.inp (generated)

000883972.b3lyp_6-31g(d).gjf (generated)

000883972.b3lyp_6-31g(d).firefly.inp (generated)

000883972.b3lyp_6-31g(d).smash.inp (generated)

000883972.b3lyp_6-31g(d).nwchem.inp (generated) 000883972.b3lyp_6-31g(d).log.xz 000883972.td-b3lyp_6-31g+(d).inp 000883972.td-b3lyp_6-31g+(d).log.xz

000883972.td-b3lyp_6-31+g(d).qchem.inp (generated)

000883972.td-b3lyp_6-31+g(d).gjf (generated)

000883972.td-b3lyp_6-31+g(d).firefly.inp (generated)

000883972.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000883972.mol 000883972.PUBCHEM 000883972.mol (via Jmol)
000883994.b3lyp_6-31g(d).inp

000883994.b3lyp_6-31g(d).qchem.inp (generated)

000883994.b3lyp_6-31g(d).gjf (generated)

000883994.b3lyp_6-31g(d).firefly.inp (generated)

000883994.b3lyp_6-31g(d).smash.inp (generated)

000883994.b3lyp_6-31g(d).nwchem.inp (generated) 000883994.b3lyp_6-31g(d).log.xz 000883994.mol 000883994.PUBCHEM 000883994.mol (via Jmol)
000884033.b3lyp_6-31g(d).inp

000884033.b3lyp_6-31g(d).qchem.inp (generated)

000884033.b3lyp_6-31g(d).gjf (generated)

000884033.b3lyp_6-31g(d).firefly.inp (generated)

000884033.b3lyp_6-31g(d).smash.inp (generated)

000884033.b3lyp_6-31g(d).nwchem.inp (generated) 000884033.b3lyp_6-31g(d).log.xz 000884033.td-b3lyp_6-31g+(d).inp 000884033.td-b3lyp_6-31g+(d).log.xz

000884033.td-b3lyp_6-31+g(d).qchem.inp (generated)

000884033.td-b3lyp_6-31+g(d).gjf (generated)

000884033.td-b3lyp_6-31+g(d).firefly.inp (generated)

000884033.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000884033.mol 000884033.PUBCHEM 000884033.mol (via Jmol)
000884037.b3lyp_6-31g(d).inp

000884037.b3lyp_6-31g(d).qchem.inp (generated)

000884037.b3lyp_6-31g(d).gjf (generated)

000884037.b3lyp_6-31g(d).firefly.inp (generated)

000884037.b3lyp_6-31g(d).smash.inp (generated)

000884037.b3lyp_6-31g(d).nwchem.inp (generated) 000884037.b3lyp_6-31g(d).log.xz 000884037.td-b3lyp_6-31g+(d).inp 000884037.td-b3lyp_6-31g+(d).log.xz

000884037.td-b3lyp_6-31+g(d).qchem.inp (generated)

000884037.td-b3lyp_6-31+g(d).gjf (generated)

000884037.td-b3lyp_6-31+g(d).firefly.inp (generated)

000884037.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000884037.mol 000884037.PUBCHEM 000884037.mol (via Jmol)
000884042.b3lyp_6-31g(d).inp

000884042.b3lyp_6-31g(d).qchem.inp (generated)

000884042.b3lyp_6-31g(d).gjf (generated)

000884042.b3lyp_6-31g(d).firefly.inp (generated)

000884042.b3lyp_6-31g(d).smash.inp (generated)

000884042.b3lyp_6-31g(d).nwchem.inp (generated) 000884042.b3lyp_6-31g(d).log.xz 000884042.td-b3lyp_6-31g+(d).inp 000884042.td-b3lyp_6-31g+(d).log.xz

000884042.td-b3lyp_6-31+g(d).qchem.inp (generated)

000884042.td-b3lyp_6-31+g(d).gjf (generated)

000884042.td-b3lyp_6-31+g(d).firefly.inp (generated)

000884042.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000884042.mol 000884042.PUBCHEM 000884042.mol (via Jmol)
000884045.b3lyp_6-31g(d).inp

000884045.b3lyp_6-31g(d).qchem.inp (generated)

000884045.b3lyp_6-31g(d).gjf (generated)

000884045.b3lyp_6-31g(d).firefly.inp (generated)

000884045.b3lyp_6-31g(d).smash.inp (generated)

000884045.b3lyp_6-31g(d).nwchem.inp (generated) 000884045.b3lyp_6-31g(d).log.xz 000884045.mol 000884045.PUBCHEM 000884045.mol (via Jmol)
000884119.b3lyp_6-31g(d).inp

000884119.b3lyp_6-31g(d).qchem.inp (generated)

000884119.b3lyp_6-31g(d).gjf (generated)

000884119.b3lyp_6-31g(d).firefly.inp (generated)

000884119.b3lyp_6-31g(d).smash.inp (generated)

000884119.b3lyp_6-31g(d).nwchem.inp (generated) 000884119.b3lyp_6-31g(d).log.xz 000884119.td-b3lyp_6-31g+(d).inp 000884119.td-b3lyp_6-31g+(d).log.xz

000884119.td-b3lyp_6-31+g(d).qchem.inp (generated)

000884119.td-b3lyp_6-31+g(d).gjf (generated)

000884119.td-b3lyp_6-31+g(d).firefly.inp (generated)

000884119.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000884119.mol 000884119.PUBCHEM 000884119.mol (via Jmol)
000884132.b3lyp_6-31g(d).inp

000884132.b3lyp_6-31g(d).qchem.inp (generated)

000884132.b3lyp_6-31g(d).gjf (generated)

000884132.b3lyp_6-31g(d).firefly.inp (generated)

000884132.b3lyp_6-31g(d).smash.inp (generated)

000884132.b3lyp_6-31g(d).nwchem.inp (generated) 000884132.b3lyp_6-31g(d).log.xz 000884132.td-b3lyp_6-31g+(d).inp 000884132.td-b3lyp_6-31g+(d).log.xz

000884132.td-b3lyp_6-31+g(d).qchem.inp (generated)

000884132.td-b3lyp_6-31+g(d).gjf (generated)

000884132.td-b3lyp_6-31+g(d).firefly.inp (generated)

000884132.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000884132.mol 000884132.PUBCHEM 000884132.mol (via Jmol)
000884153.b3lyp_6-31g(d).inp

000884153.b3lyp_6-31g(d).qchem.inp (generated)

000884153.b3lyp_6-31g(d).gjf (generated)

000884153.b3lyp_6-31g(d).firefly.inp (generated)

000884153.b3lyp_6-31g(d).smash.inp (generated)

000884153.b3lyp_6-31g(d).nwchem.inp (generated) 000884153.b3lyp_6-31g(d).log.xz 000884153.td-b3lyp_6-31g+(d).inp 000884153.td-b3lyp_6-31g+(d).log.xz

000884153.td-b3lyp_6-31+g(d).qchem.inp (generated)

000884153.td-b3lyp_6-31+g(d).gjf (generated)

000884153.td-b3lyp_6-31+g(d).firefly.inp (generated)

000884153.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000884153.mol 000884153.PUBCHEM 000884153.mol (via Jmol)
000884170.b3lyp_6-31g(d).inp

000884170.b3lyp_6-31g(d).qchem.inp (generated)

000884170.b3lyp_6-31g(d).gjf (generated)

000884170.b3lyp_6-31g(d).firefly.inp (generated)

000884170.b3lyp_6-31g(d).smash.inp (generated)

000884170.b3lyp_6-31g(d).nwchem.inp (generated) 000884170.b3lyp_6-31g(d).log.xz 000884170.td-b3lyp_6-31g+(d).inp 000884170.td-b3lyp_6-31g+(d).log.xz

000884170.td-b3lyp_6-31+g(d).qchem.inp (generated)

000884170.td-b3lyp_6-31+g(d).gjf (generated)

000884170.td-b3lyp_6-31+g(d).firefly.inp (generated)

000884170.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000884170.mol 000884170.PUBCHEM 000884170.mol (via Jmol)
000884184.b3lyp_6-31g(d).inp

000884184.b3lyp_6-31g(d).qchem.inp (generated)

000884184.b3lyp_6-31g(d).gjf (generated)

000884184.b3lyp_6-31g(d).firefly.inp (generated)

000884184.b3lyp_6-31g(d).smash.inp (generated)

000884184.b3lyp_6-31g(d).nwchem.inp (generated) 000884184.b3lyp_6-31g(d).log.xz 000884184.td-b3lyp_6-31g+(d).inp 000884184.td-b3lyp_6-31g+(d).log.xz

000884184.td-b3lyp_6-31+g(d).qchem.inp (generated)

000884184.td-b3lyp_6-31+g(d).gjf (generated)

000884184.td-b3lyp_6-31+g(d).firefly.inp (generated)

000884184.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000884184.mol 000884184.PUBCHEM 000884184.mol (via Jmol)
000884185.b3lyp_6-31g(d).inp

000884185.b3lyp_6-31g(d).qchem.inp (generated)

000884185.b3lyp_6-31g(d).gjf (generated)

000884185.b3lyp_6-31g(d).firefly.inp (generated)

000884185.b3lyp_6-31g(d).smash.inp (generated)

000884185.b3lyp_6-31g(d).nwchem.inp (generated) 000884185.b3lyp_6-31g(d).log.xz 000884185.td-b3lyp_6-31g+(d).inp 000884185.td-b3lyp_6-31g+(d).log.xz

000884185.td-b3lyp_6-31+g(d).qchem.inp (generated)

000884185.td-b3lyp_6-31+g(d).gjf (generated)

000884185.td-b3lyp_6-31+g(d).firefly.inp (generated)

000884185.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000884185.mol 000884185.PUBCHEM 000884185.mol (via Jmol)
000884201.b3lyp_6-31g(d).inp

000884201.b3lyp_6-31g(d).qchem.inp (generated)

000884201.b3lyp_6-31g(d).gjf (generated)

000884201.b3lyp_6-31g(d).firefly.inp (generated)

000884201.b3lyp_6-31g(d).smash.inp (generated)

000884201.b3lyp_6-31g(d).nwchem.inp (generated) 000884201.b3lyp_6-31g(d).log.xz 000884201.td-b3lyp_6-31g+(d).inp 000884201.td-b3lyp_6-31g+(d).log.xz

000884201.td-b3lyp_6-31+g(d).qchem.inp (generated)

000884201.td-b3lyp_6-31+g(d).gjf (generated)

000884201.td-b3lyp_6-31+g(d).firefly.inp (generated)

000884201.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000884201.mol 000884201.PUBCHEM 000884201.mol (via Jmol)
000884208.b3lyp_6-31g(d).inp

000884208.b3lyp_6-31g(d).qchem.inp (generated)

000884208.b3lyp_6-31g(d).gjf (generated)

000884208.b3lyp_6-31g(d).firefly.inp (generated)

000884208.b3lyp_6-31g(d).smash.inp (generated)

000884208.b3lyp_6-31g(d).nwchem.inp (generated) 000884208.b3lyp_6-31g(d).log.xz 000884208.td-b3lyp_6-31g+(d).inp 000884208.td-b3lyp_6-31g+(d).log.xz

000884208.td-b3lyp_6-31+g(d).qchem.inp (generated)

000884208.td-b3lyp_6-31+g(d).gjf (generated)

000884208.td-b3lyp_6-31+g(d).firefly.inp (generated)

000884208.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000884208.mol 000884208.PUBCHEM 000884208.mol (via Jmol)
000884215.b3lyp_6-31g(d).inp

000884215.b3lyp_6-31g(d).qchem.inp (generated)

000884215.b3lyp_6-31g(d).gjf (generated)

000884215.b3lyp_6-31g(d).firefly.inp (generated)

000884215.b3lyp_6-31g(d).smash.inp (generated)

000884215.b3lyp_6-31g(d).nwchem.inp (generated) 000884215.b3lyp_6-31g(d).log.xz 000884215.mol 000884215.PUBCHEM 000884215.mol (via Jmol)
000884230.b3lyp_6-31g(d).inp

000884230.b3lyp_6-31g(d).qchem.inp (generated)

000884230.b3lyp_6-31g(d).gjf (generated)

000884230.b3lyp_6-31g(d).firefly.inp (generated)

000884230.b3lyp_6-31g(d).smash.inp (generated)

000884230.b3lyp_6-31g(d).nwchem.inp (generated) 000884230.b3lyp_6-31g(d).log.xz 000884230.mol 000884230.PUBCHEM 000884230.mol (via Jmol)
000884272.b3lyp_6-31g(d).inp

000884272.b3lyp_6-31g(d).qchem.inp (generated)

000884272.b3lyp_6-31g(d).gjf (generated)

000884272.b3lyp_6-31g(d).firefly.inp (generated)

000884272.b3lyp_6-31g(d).smash.inp (generated)

000884272.b3lyp_6-31g(d).nwchem.inp (generated) 000884272.b3lyp_6-31g(d).log.xz 000884272.td-b3lyp_6-31g+(d).inp 000884272.td-b3lyp_6-31g+(d).log.xz

000884272.td-b3lyp_6-31+g(d).qchem.inp (generated)

000884272.td-b3lyp_6-31+g(d).gjf (generated)

000884272.td-b3lyp_6-31+g(d).firefly.inp (generated)

000884272.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000884272.mol 000884272.PUBCHEM 000884272.mol (via Jmol)
000884296.b3lyp_6-31g(d).inp

000884296.b3lyp_6-31g(d).qchem.inp (generated)

000884296.b3lyp_6-31g(d).gjf (generated)

000884296.b3lyp_6-31g(d).firefly.inp (generated)

000884296.b3lyp_6-31g(d).smash.inp (generated)

000884296.b3lyp_6-31g(d).nwchem.inp (generated) 000884296.b3lyp_6-31g(d).log.xz 000884296.mol 000884296.PUBCHEM 000884296.mol (via Jmol)
000884309.b3lyp_6-31g(d).inp

000884309.b3lyp_6-31g(d).qchem.inp (generated)

000884309.b3lyp_6-31g(d).gjf (generated)

000884309.b3lyp_6-31g(d).firefly.inp (generated)

000884309.b3lyp_6-31g(d).smash.inp (generated)

000884309.b3lyp_6-31g(d).nwchem.inp (generated) 000884309.b3lyp_6-31g(d).log.xz 000884309.mol 000884309.PUBCHEM 000884309.mol (via Jmol)
000884320.b3lyp_6-31g(d).inp

000884320.b3lyp_6-31g(d).qchem.inp (generated)

000884320.b3lyp_6-31g(d).gjf (generated)

000884320.b3lyp_6-31g(d).firefly.inp (generated)

000884320.b3lyp_6-31g(d).smash.inp (generated)

000884320.b3lyp_6-31g(d).nwchem.inp (generated) 000884320.b3lyp_6-31g(d).log.xz 000884320.td-b3lyp_6-31g+(d).inp 000884320.td-b3lyp_6-31g+(d).log.xz

000884320.td-b3lyp_6-31+g(d).qchem.inp (generated)

000884320.td-b3lyp_6-31+g(d).gjf (generated)

000884320.td-b3lyp_6-31+g(d).firefly.inp (generated)

000884320.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000884320.mol 000884320.PUBCHEM 000884320.mol (via Jmol)
000884337.b3lyp_6-31g(d).inp

000884337.b3lyp_6-31g(d).qchem.inp (generated)

000884337.b3lyp_6-31g(d).gjf (generated)

000884337.b3lyp_6-31g(d).firefly.inp (generated)

000884337.b3lyp_6-31g(d).smash.inp (generated)

000884337.b3lyp_6-31g(d).nwchem.inp (generated) 000884337.b3lyp_6-31g(d).log.xz 000884337.td-b3lyp_6-31g+(d).inp 000884337.td-b3lyp_6-31g+(d).log.xz

000884337.td-b3lyp_6-31+g(d).qchem.inp (generated)

000884337.td-b3lyp_6-31+g(d).gjf (generated)

000884337.td-b3lyp_6-31+g(d).firefly.inp (generated)

000884337.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000884337.mol 000884337.PUBCHEM 000884337.mol (via Jmol)
000884339.b3lyp_6-31g(d).inp

000884339.b3lyp_6-31g(d).qchem.inp (generated)

000884339.b3lyp_6-31g(d).gjf (generated)

000884339.b3lyp_6-31g(d).firefly.inp (generated)

000884339.b3lyp_6-31g(d).smash.inp (generated)

000884339.b3lyp_6-31g(d).nwchem.inp (generated) 000884339.b3lyp_6-31g(d).log.xz 000884339.mol 000884339.PUBCHEM 000884339.mol (via Jmol)
000884363.b3lyp_6-31g(d).inp

000884363.b3lyp_6-31g(d).qchem.inp (generated)

000884363.b3lyp_6-31g(d).gjf (generated)

000884363.b3lyp_6-31g(d).firefly.inp (generated)

000884363.b3lyp_6-31g(d).smash.inp (generated)

000884363.b3lyp_6-31g(d).nwchem.inp (generated) 000884363.b3lyp_6-31g(d).log.xz 000884363.td-b3lyp_6-31g+(d).inp 000884363.td-b3lyp_6-31g+(d).log.xz

000884363.td-b3lyp_6-31+g(d).qchem.inp (generated)

000884363.td-b3lyp_6-31+g(d).gjf (generated)

000884363.td-b3lyp_6-31+g(d).firefly.inp (generated)

000884363.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000884363.mol 000884363.PUBCHEM 000884363.mol (via Jmol)
000884383.b3lyp_6-31g(d).inp

000884383.b3lyp_6-31g(d).qchem.inp (generated)

000884383.b3lyp_6-31g(d).gjf (generated)

000884383.b3lyp_6-31g(d).firefly.inp (generated)

000884383.b3lyp_6-31g(d).smash.inp (generated)

000884383.b3lyp_6-31g(d).nwchem.inp (generated) 000884383.b3lyp_6-31g(d).log.xz 000884383.td-b3lyp_6-31g+(d).inp 000884383.td-b3lyp_6-31g+(d).log.xz

000884383.td-b3lyp_6-31+g(d).qchem.inp (generated)

000884383.td-b3lyp_6-31+g(d).gjf (generated)

000884383.td-b3lyp_6-31+g(d).firefly.inp (generated)

000884383.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000884383.mol 000884383.PUBCHEM 000884383.mol (via Jmol)
000884384.b3lyp_6-31g(d).inp

000884384.b3lyp_6-31g(d).qchem.inp (generated)

000884384.b3lyp_6-31g(d).gjf (generated)

000884384.b3lyp_6-31g(d).firefly.inp (generated)

000884384.b3lyp_6-31g(d).smash.inp (generated)

000884384.b3lyp_6-31g(d).nwchem.inp (generated) 000884384.b3lyp_6-31g(d).log.xz 000884384.td-b3lyp_6-31g+(d).inp 000884384.td-b3lyp_6-31g+(d).log.xz

000884384.td-b3lyp_6-31+g(d).qchem.inp (generated)

000884384.td-b3lyp_6-31+g(d).gjf (generated)

000884384.td-b3lyp_6-31+g(d).firefly.inp (generated)

000884384.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000884384.mol 000884384.PUBCHEM 000884384.mol (via Jmol)
000884391.b3lyp_6-31g(d).inp

000884391.b3lyp_6-31g(d).qchem.inp (generated)

000884391.b3lyp_6-31g(d).gjf (generated)

000884391.b3lyp_6-31g(d).firefly.inp (generated)

000884391.b3lyp_6-31g(d).smash.inp (generated)

000884391.b3lyp_6-31g(d).nwchem.inp (generated) 000884391.b3lyp_6-31g(d).log.xz 000884391.mol 000884391.PUBCHEM 000884391.mol (via Jmol)
000884441.b3lyp_6-31g(d).inp

000884441.b3lyp_6-31g(d).qchem.inp (generated)

000884441.b3lyp_6-31g(d).gjf (generated)

000884441.b3lyp_6-31g(d).firefly.inp (generated)

000884441.b3lyp_6-31g(d).smash.inp (generated)

000884441.b3lyp_6-31g(d).nwchem.inp (generated) 000884441.b3lyp_6-31g(d).log.xz 000884441.td-b3lyp_6-31g+(d).inp 000884441.td-b3lyp_6-31g+(d).log.xz

000884441.td-b3lyp_6-31+g(d).qchem.inp (generated)

000884441.td-b3lyp_6-31+g(d).gjf (generated)

000884441.td-b3lyp_6-31+g(d).firefly.inp (generated)

000884441.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000884441.mol 000884441.PUBCHEM 000884441.mol (via Jmol)
000884446.b3lyp_6-31g(d).inp

000884446.b3lyp_6-31g(d).qchem.inp (generated)

000884446.b3lyp_6-31g(d).gjf (generated)

000884446.b3lyp_6-31g(d).firefly.inp (generated)

000884446.b3lyp_6-31g(d).smash.inp (generated)

000884446.b3lyp_6-31g(d).nwchem.inp (generated) 000884446.b3lyp_6-31g(d).log.xz 000884446.td-b3lyp_6-31g+(d).inp 000884446.td-b3lyp_6-31g+(d).log.xz

000884446.td-b3lyp_6-31+g(d).qchem.inp (generated)

000884446.td-b3lyp_6-31+g(d).gjf (generated)

000884446.td-b3lyp_6-31+g(d).firefly.inp (generated)

000884446.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000884446.mol 000884446.PUBCHEM 000884446.mol (via Jmol)
000884449.b3lyp_6-31g(d).inp

000884449.b3lyp_6-31g(d).qchem.inp (generated)

000884449.b3lyp_6-31g(d).gjf (generated)

000884449.b3lyp_6-31g(d).firefly.inp (generated)

000884449.b3lyp_6-31g(d).smash.inp (generated)

000884449.b3lyp_6-31g(d).nwchem.inp (generated) 000884449.b3lyp_6-31g(d).log.xz 000884449.td-b3lyp_6-31g+(d).inp 000884449.td-b3lyp_6-31g+(d).log.xz

000884449.td-b3lyp_6-31+g(d).qchem.inp (generated)

000884449.td-b3lyp_6-31+g(d).gjf (generated)

000884449.td-b3lyp_6-31+g(d).firefly.inp (generated)

000884449.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000884449.mol 000884449.PUBCHEM 000884449.mol (via Jmol)
000884475.b3lyp_6-31g(d).inp

000884475.b3lyp_6-31g(d).qchem.inp (generated)

000884475.b3lyp_6-31g(d).gjf (generated)

000884475.b3lyp_6-31g(d).firefly.inp (generated)

000884475.b3lyp_6-31g(d).smash.inp (generated)

000884475.b3lyp_6-31g(d).nwchem.inp (generated) 000884475.b3lyp_6-31g(d).log.xz 000884475.mol 000884475.PUBCHEM 000884475.mol (via Jmol)
000884498.b3lyp_6-31g(d).inp

000884498.b3lyp_6-31g(d).qchem.inp (generated)

000884498.b3lyp_6-31g(d).gjf (generated)

000884498.b3lyp_6-31g(d).firefly.inp (generated)

000884498.b3lyp_6-31g(d).smash.inp (generated)

000884498.b3lyp_6-31g(d).nwchem.inp (generated) 000884498.b3lyp_6-31g(d).log.xz 000884498.td-b3lyp_6-31g+(d).inp 000884498.td-b3lyp_6-31g+(d).log.xz

000884498.td-b3lyp_6-31+g(d).qchem.inp (generated)

000884498.td-b3lyp_6-31+g(d).gjf (generated)

000884498.td-b3lyp_6-31+g(d).firefly.inp (generated)

000884498.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000884498.mol 000884498.PUBCHEM 000884498.mol (via Jmol)
000884531.b3lyp_6-31g(d).inp

000884531.b3lyp_6-31g(d).qchem.inp (generated)

000884531.b3lyp_6-31g(d).gjf (generated)

000884531.b3lyp_6-31g(d).firefly.inp (generated)

000884531.b3lyp_6-31g(d).smash.inp (generated)

000884531.b3lyp_6-31g(d).nwchem.inp (generated) 000884531.b3lyp_6-31g(d).log.xz 000884531.td-b3lyp_6-31g+(d).inp 000884531.td-b3lyp_6-31g+(d).log.xz

000884531.td-b3lyp_6-31+g(d).qchem.inp (generated)

000884531.td-b3lyp_6-31+g(d).gjf (generated)

000884531.td-b3lyp_6-31+g(d).firefly.inp (generated)

000884531.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000884531.mol 000884531.PUBCHEM 000884531.mol (via Jmol)
000884589.b3lyp_6-31g(d).inp

000884589.b3lyp_6-31g(d).qchem.inp (generated)

000884589.b3lyp_6-31g(d).gjf (generated)

000884589.b3lyp_6-31g(d).firefly.inp (generated)

000884589.b3lyp_6-31g(d).smash.inp (generated)

000884589.b3lyp_6-31g(d).nwchem.inp (generated) 000884589.b3lyp_6-31g(d).log.xz 000884589.mol 000884589.PUBCHEM 000884589.mol (via Jmol)
000884629.b3lyp_6-31g(d).inp

000884629.b3lyp_6-31g(d).qchem.inp (generated)

000884629.b3lyp_6-31g(d).gjf (generated)

000884629.b3lyp_6-31g(d).firefly.inp (generated)

000884629.b3lyp_6-31g(d).smash.inp (generated)

000884629.b3lyp_6-31g(d).nwchem.inp (generated) 000884629.b3lyp_6-31g(d).log.xz 000884629.td-b3lyp_6-31g+(d).inp 000884629.td-b3lyp_6-31g+(d).log.xz

000884629.td-b3lyp_6-31+g(d).qchem.inp (generated)

000884629.td-b3lyp_6-31+g(d).gjf (generated)

000884629.td-b3lyp_6-31+g(d).firefly.inp (generated)

000884629.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000884629.mol 000884629.PUBCHEM 000884629.mol (via Jmol)
000884642.b3lyp_6-31g(d).inp

000884642.b3lyp_6-31g(d).qchem.inp (generated)

000884642.b3lyp_6-31g(d).gjf (generated)

000884642.b3lyp_6-31g(d).firefly.inp (generated)

000884642.b3lyp_6-31g(d).smash.inp (generated)

000884642.b3lyp_6-31g(d).nwchem.inp (generated) 000884642.b3lyp_6-31g(d).log.xz 000884642.mol 000884642.PUBCHEM 000884642.mol (via Jmol)
000884649.b3lyp_6-31g(d).inp

000884649.b3lyp_6-31g(d).qchem.inp (generated)

000884649.b3lyp_6-31g(d).gjf (generated)

000884649.b3lyp_6-31g(d).firefly.inp (generated)

000884649.b3lyp_6-31g(d).smash.inp (generated)

000884649.b3lyp_6-31g(d).nwchem.inp (generated) 000884649.b3lyp_6-31g(d).log.xz 000884649.td-b3lyp_6-31g+(d).inp 000884649.td-b3lyp_6-31g+(d).log.xz

000884649.td-b3lyp_6-31+g(d).qchem.inp (generated)

000884649.td-b3lyp_6-31+g(d).gjf (generated)

000884649.td-b3lyp_6-31+g(d).firefly.inp (generated)

000884649.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000884649.mol 000884649.PUBCHEM 000884649.mol (via Jmol)
000884665.b3lyp_6-31g(d).inp

000884665.b3lyp_6-31g(d).qchem.inp (generated)

000884665.b3lyp_6-31g(d).gjf (generated)

000884665.b3lyp_6-31g(d).firefly.inp (generated)

000884665.b3lyp_6-31g(d).smash.inp (generated)

000884665.b3lyp_6-31g(d).nwchem.inp (generated) 000884665.b3lyp_6-31g(d).log.xz 000884665.td-b3lyp_6-31g+(d).inp 000884665.td-b3lyp_6-31g+(d).log.xz

000884665.td-b3lyp_6-31+g(d).qchem.inp (generated)

000884665.td-b3lyp_6-31+g(d).gjf (generated)

000884665.td-b3lyp_6-31+g(d).firefly.inp (generated)

000884665.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000884665.mol 000884665.PUBCHEM 000884665.mol (via Jmol)
000884667.b3lyp_6-31g(d).inp

000884667.b3lyp_6-31g(d).qchem.inp (generated)

000884667.b3lyp_6-31g(d).gjf (generated)

000884667.b3lyp_6-31g(d).firefly.inp (generated)

000884667.b3lyp_6-31g(d).smash.inp (generated)

000884667.b3lyp_6-31g(d).nwchem.inp (generated) 000884667.b3lyp_6-31g(d).log.xz 000884667.td-b3lyp_6-31g+(d).inp 000884667.td-b3lyp_6-31g+(d).log.xz

000884667.td-b3lyp_6-31+g(d).qchem.inp (generated)

000884667.td-b3lyp_6-31+g(d).gjf (generated)

000884667.td-b3lyp_6-31+g(d).firefly.inp (generated)

000884667.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000884667.mol 000884667.PUBCHEM 000884667.mol (via Jmol)
000884700.b3lyp_6-31g(d).inp

000884700.b3lyp_6-31g(d).qchem.inp (generated)

000884700.b3lyp_6-31g(d).gjf (generated)

000884700.b3lyp_6-31g(d).firefly.inp (generated)

000884700.b3lyp_6-31g(d).smash.inp (generated)

000884700.b3lyp_6-31g(d).nwchem.inp (generated) 000884700.b3lyp_6-31g(d).log.xz 000884700.td-b3lyp_6-31g+(d).inp 000884700.td-b3lyp_6-31g+(d).log.xz

000884700.td-b3lyp_6-31+g(d).qchem.inp (generated)

000884700.td-b3lyp_6-31+g(d).gjf (generated)

000884700.td-b3lyp_6-31+g(d).firefly.inp (generated)

000884700.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000884700.mol 000884700.PUBCHEM 000884700.mol (via Jmol)
000884701.b3lyp_6-31g(d).inp

000884701.b3lyp_6-31g(d).qchem.inp (generated)

000884701.b3lyp_6-31g(d).gjf (generated)

000884701.b3lyp_6-31g(d).firefly.inp (generated)

000884701.b3lyp_6-31g(d).smash.inp (generated)

000884701.b3lyp_6-31g(d).nwchem.inp (generated) 000884701.b3lyp_6-31g(d).log.xz 000884701.td-b3lyp_6-31g+(d).inp 000884701.td-b3lyp_6-31g+(d).log.xz

000884701.td-b3lyp_6-31+g(d).qchem.inp (generated)

000884701.td-b3lyp_6-31+g(d).gjf (generated)

000884701.td-b3lyp_6-31+g(d).firefly.inp (generated)

000884701.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000884701.mol 000884701.PUBCHEM 000884701.mol (via Jmol)
000884713.b3lyp_6-31g(d).inp

000884713.b3lyp_6-31g(d).qchem.inp (generated)

000884713.b3lyp_6-31g(d).gjf (generated)

000884713.b3lyp_6-31g(d).firefly.inp (generated)

000884713.b3lyp_6-31g(d).smash.inp (generated)

000884713.b3lyp_6-31g(d).nwchem.inp (generated) 000884713.b3lyp_6-31g(d).log.xz 000884713.td-b3lyp_6-31g+(d).inp 000884713.td-b3lyp_6-31g+(d).log.xz

000884713.td-b3lyp_6-31+g(d).qchem.inp (generated)

000884713.td-b3lyp_6-31+g(d).gjf (generated)

000884713.td-b3lyp_6-31+g(d).firefly.inp (generated)

000884713.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000884713.mol 000884713.PUBCHEM 000884713.mol (via Jmol)
000884735.b3lyp_6-31g(d).inp

000884735.b3lyp_6-31g(d).qchem.inp (generated)

000884735.b3lyp_6-31g(d).gjf (generated)

000884735.b3lyp_6-31g(d).firefly.inp (generated)

000884735.b3lyp_6-31g(d).smash.inp (generated)

000884735.b3lyp_6-31g(d).nwchem.inp (generated) 000884735.b3lyp_6-31g(d).log.xz 000884735.td-b3lyp_6-31g+(d).inp 000884735.td-b3lyp_6-31g+(d).log.xz

000884735.td-b3lyp_6-31+g(d).qchem.inp (generated)

000884735.td-b3lyp_6-31+g(d).gjf (generated)

000884735.td-b3lyp_6-31+g(d).firefly.inp (generated)

000884735.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000884735.mol 000884735.PUBCHEM 000884735.mol (via Jmol)
000884744.b3lyp_6-31g(d).inp

000884744.b3lyp_6-31g(d).qchem.inp (generated)

000884744.b3lyp_6-31g(d).gjf (generated)

000884744.b3lyp_6-31g(d).firefly.inp (generated)

000884744.b3lyp_6-31g(d).smash.inp (generated)

000884744.b3lyp_6-31g(d).nwchem.inp (generated) 000884744.b3lyp_6-31g(d).log.xz 000884744.mol 000884744.PUBCHEM 000884744.mol (via Jmol)
000884747.b3lyp_6-31g(d).inp

000884747.b3lyp_6-31g(d).qchem.inp (generated)

000884747.b3lyp_6-31g(d).gjf (generated)

000884747.b3lyp_6-31g(d).firefly.inp (generated)

000884747.b3lyp_6-31g(d).smash.inp (generated)

000884747.b3lyp_6-31g(d).nwchem.inp (generated) 000884747.b3lyp_6-31g(d).log.xz 000884747.td-b3lyp_6-31g+(d).inp 000884747.td-b3lyp_6-31g+(d).log.xz

000884747.td-b3lyp_6-31+g(d).qchem.inp (generated)

000884747.td-b3lyp_6-31+g(d).gjf (generated)

000884747.td-b3lyp_6-31+g(d).firefly.inp (generated)

000884747.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000884747.mol 000884747.PUBCHEM 000884747.mol (via Jmol)
000884782.b3lyp_6-31g(d).inp

000884782.b3lyp_6-31g(d).qchem.inp (generated)

000884782.b3lyp_6-31g(d).gjf (generated)

000884782.b3lyp_6-31g(d).firefly.inp (generated)

000884782.b3lyp_6-31g(d).smash.inp (generated)

000884782.b3lyp_6-31g(d).nwchem.inp (generated) 000884782.b3lyp_6-31g(d).log.xz 000884782.td-b3lyp_6-31g+(d).inp 000884782.td-b3lyp_6-31g+(d).log.xz

000884782.td-b3lyp_6-31+g(d).qchem.inp (generated)

000884782.td-b3lyp_6-31+g(d).gjf (generated)

000884782.td-b3lyp_6-31+g(d).firefly.inp (generated)

000884782.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000884782.mol 000884782.PUBCHEM 000884782.mol (via Jmol)
000884834.b3lyp_6-31g(d).inp

000884834.b3lyp_6-31g(d).qchem.inp (generated)

000884834.b3lyp_6-31g(d).gjf (generated)

000884834.b3lyp_6-31g(d).firefly.inp (generated)

000884834.b3lyp_6-31g(d).smash.inp (generated)

000884834.b3lyp_6-31g(d).nwchem.inp (generated) 000884834.b3lyp_6-31g(d).log.xz 000884834.td-b3lyp_6-31g+(d).inp 000884834.td-b3lyp_6-31g+(d).log.xz

000884834.td-b3lyp_6-31+g(d).qchem.inp (generated)

000884834.td-b3lyp_6-31+g(d).gjf (generated)

000884834.td-b3lyp_6-31+g(d).firefly.inp (generated)

000884834.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000884834.mol 000884834.PUBCHEM 000884834.mol (via Jmol)
000884880.b3lyp_6-31g(d).inp

000884880.b3lyp_6-31g(d).qchem.inp (generated)

000884880.b3lyp_6-31g(d).gjf (generated)

000884880.b3lyp_6-31g(d).firefly.inp (generated)

000884880.b3lyp_6-31g(d).smash.inp (generated)

000884880.b3lyp_6-31g(d).nwchem.inp (generated) 000884880.b3lyp_6-31g(d).log.xz 000884880.td-b3lyp_6-31g+(d).inp 000884880.td-b3lyp_6-31g+(d).log.xz

000884880.td-b3lyp_6-31+g(d).qchem.inp (generated)

000884880.td-b3lyp_6-31+g(d).gjf (generated)

000884880.td-b3lyp_6-31+g(d).firefly.inp (generated)

000884880.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000884880.mol 000884880.PUBCHEM 000884880.mol (via Jmol)
000885058.b3lyp_6-31g(d).inp

000885058.b3lyp_6-31g(d).qchem.inp (generated)

000885058.b3lyp_6-31g(d).gjf (generated)

000885058.b3lyp_6-31g(d).firefly.inp (generated)

000885058.b3lyp_6-31g(d).smash.inp (generated)

000885058.b3lyp_6-31g(d).nwchem.inp (generated) 000885058.b3lyp_6-31g(d).log.xz 000885058.td-b3lyp_6-31g+(d).inp 000885058.td-b3lyp_6-31g+(d).log.xz

000885058.td-b3lyp_6-31+g(d).qchem.inp (generated)

000885058.td-b3lyp_6-31+g(d).gjf (generated)

000885058.td-b3lyp_6-31+g(d).firefly.inp (generated)

000885058.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000885058.mol 000885058.PUBCHEM 000885058.mol (via Jmol)
000885085.b3lyp_6-31g(d).inp

000885085.b3lyp_6-31g(d).qchem.inp (generated)

000885085.b3lyp_6-31g(d).gjf (generated)

000885085.b3lyp_6-31g(d).firefly.inp (generated)

000885085.b3lyp_6-31g(d).smash.inp (generated)

000885085.b3lyp_6-31g(d).nwchem.inp (generated) 000885085.b3lyp_6-31g(d).log.xz 000885085.td-b3lyp_6-31g+(d).inp 000885085.td-b3lyp_6-31g+(d).log.xz

000885085.td-b3lyp_6-31+g(d).qchem.inp (generated)

000885085.td-b3lyp_6-31+g(d).gjf (generated)

000885085.td-b3lyp_6-31+g(d).firefly.inp (generated)

000885085.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000885085.mol 000885085.PUBCHEM 000885085.mol (via Jmol)
000885086.b3lyp_6-31g(d).inp

000885086.b3lyp_6-31g(d).qchem.inp (generated)

000885086.b3lyp_6-31g(d).gjf (generated)

000885086.b3lyp_6-31g(d).firefly.inp (generated)

000885086.b3lyp_6-31g(d).smash.inp (generated)

000885086.b3lyp_6-31g(d).nwchem.inp (generated) 000885086.b3lyp_6-31g(d).log.xz 000885086.td-b3lyp_6-31g+(d).inp 000885086.td-b3lyp_6-31g+(d).log.xz

000885086.td-b3lyp_6-31+g(d).qchem.inp (generated)

000885086.td-b3lyp_6-31+g(d).gjf (generated)

000885086.td-b3lyp_6-31+g(d).firefly.inp (generated)

000885086.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000885086.mol 000885086.PUBCHEM 000885086.mol (via Jmol)
000885099.b3lyp_6-31g(d).inp

000885099.b3lyp_6-31g(d).qchem.inp (generated)

000885099.b3lyp_6-31g(d).gjf (generated)

000885099.b3lyp_6-31g(d).firefly.inp (generated)

000885099.b3lyp_6-31g(d).smash.inp (generated)

000885099.b3lyp_6-31g(d).nwchem.inp (generated) 000885099.b3lyp_6-31g(d).log.xz 000885099.mol 000885099.PUBCHEM 000885099.mol (via Jmol)
000885100.b3lyp_6-31g(d).inp

000885100.b3lyp_6-31g(d).qchem.inp (generated)

000885100.b3lyp_6-31g(d).gjf (generated)

000885100.b3lyp_6-31g(d).firefly.inp (generated)

000885100.b3lyp_6-31g(d).smash.inp (generated)

000885100.b3lyp_6-31g(d).nwchem.inp (generated) 000885100.b3lyp_6-31g(d).log.xz 000885100.mol 000885100.PUBCHEM 000885100.mol (via Jmol)
000885149.b3lyp_6-31g(d).inp

000885149.b3lyp_6-31g(d).qchem.inp (generated)

000885149.b3lyp_6-31g(d).gjf (generated)

000885149.b3lyp_6-31g(d).firefly.inp (generated)

000885149.b3lyp_6-31g(d).smash.inp (generated)

000885149.b3lyp_6-31g(d).nwchem.inp (generated) 000885149.b3lyp_6-31g(d).log.xz 000885149.mol 000885149.PUBCHEM 000885149.mol (via Jmol)
000885210.b3lyp_6-31g(d).inp

000885210.b3lyp_6-31g(d).qchem.inp (generated)

000885210.b3lyp_6-31g(d).gjf (generated)

000885210.b3lyp_6-31g(d).firefly.inp (generated)

000885210.b3lyp_6-31g(d).smash.inp (generated)

000885210.b3lyp_6-31g(d).nwchem.inp (generated) 000885210.b3lyp_6-31g(d).log.xz 000885210.td-b3lyp_6-31g+(d).inp 000885210.td-b3lyp_6-31g+(d).log.xz

000885210.td-b3lyp_6-31+g(d).qchem.inp (generated)

000885210.td-b3lyp_6-31+g(d).gjf (generated)

000885210.td-b3lyp_6-31+g(d).firefly.inp (generated)

000885210.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000885210.mol 000885210.PUBCHEM 000885210.mol (via Jmol)
000885256.b3lyp_6-31g(d).inp

000885256.b3lyp_6-31g(d).qchem.inp (generated)

000885256.b3lyp_6-31g(d).gjf (generated)

000885256.b3lyp_6-31g(d).firefly.inp (generated)

000885256.b3lyp_6-31g(d).smash.inp (generated)

000885256.b3lyp_6-31g(d).nwchem.inp (generated) 000885256.b3lyp_6-31g(d).log.xz 000885256.mol 000885256.PUBCHEM 000885256.mol (via Jmol)
000885285.b3lyp_6-31g(d).inp

000885285.b3lyp_6-31g(d).qchem.inp (generated)

000885285.b3lyp_6-31g(d).gjf (generated)

000885285.b3lyp_6-31g(d).firefly.inp (generated)

000885285.b3lyp_6-31g(d).smash.inp (generated)

000885285.b3lyp_6-31g(d).nwchem.inp (generated) 000885285.b3lyp_6-31g(d).log.xz 000885285.td-b3lyp_6-31g+(d).inp 000885285.td-b3lyp_6-31g+(d).log.xz

000885285.td-b3lyp_6-31+g(d).qchem.inp (generated)

000885285.td-b3lyp_6-31+g(d).gjf (generated)

000885285.td-b3lyp_6-31+g(d).firefly.inp (generated)

000885285.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000885285.mol 000885285.PUBCHEM 000885285.mol (via Jmol)
000885302.b3lyp_6-31g(d).inp

000885302.b3lyp_6-31g(d).qchem.inp (generated)

000885302.b3lyp_6-31g(d).gjf (generated)

000885302.b3lyp_6-31g(d).firefly.inp (generated)

000885302.b3lyp_6-31g(d).smash.inp (generated)

000885302.b3lyp_6-31g(d).nwchem.inp (generated) 000885302.b3lyp_6-31g(d).log.xz 000885302.td-b3lyp_6-31g+(d).inp 000885302.td-b3lyp_6-31g+(d).log.xz

000885302.td-b3lyp_6-31+g(d).qchem.inp (generated)

000885302.td-b3lyp_6-31+g(d).gjf (generated)

000885302.td-b3lyp_6-31+g(d).firefly.inp (generated)

000885302.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000885302.mol 000885302.PUBCHEM 000885302.mol (via Jmol)
000885324.b3lyp_6-31g(d).inp

000885324.b3lyp_6-31g(d).qchem.inp (generated)

000885324.b3lyp_6-31g(d).gjf (generated)

000885324.b3lyp_6-31g(d).firefly.inp (generated)

000885324.b3lyp_6-31g(d).smash.inp (generated)

000885324.b3lyp_6-31g(d).nwchem.inp (generated) 000885324.b3lyp_6-31g(d).log.xz 000885324.td-b3lyp_6-31g+(d).inp 000885324.td-b3lyp_6-31g+(d).log.xz

000885324.td-b3lyp_6-31+g(d).qchem.inp (generated)

000885324.td-b3lyp_6-31+g(d).gjf (generated)

000885324.td-b3lyp_6-31+g(d).firefly.inp (generated)

000885324.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000885324.mol 000885324.PUBCHEM 000885324.mol (via Jmol)
000885329.b3lyp_6-31g(d).inp

000885329.b3lyp_6-31g(d).qchem.inp (generated)

000885329.b3lyp_6-31g(d).gjf (generated)

000885329.b3lyp_6-31g(d).firefly.inp (generated)

000885329.b3lyp_6-31g(d).smash.inp (generated)

000885329.b3lyp_6-31g(d).nwchem.inp (generated) 000885329.b3lyp_6-31g(d).log.xz 000885329.td-b3lyp_6-31g+(d).inp 000885329.td-b3lyp_6-31g+(d).log.xz

000885329.td-b3lyp_6-31+g(d).qchem.inp (generated)

000885329.td-b3lyp_6-31+g(d).gjf (generated)

000885329.td-b3lyp_6-31+g(d).firefly.inp (generated)

000885329.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000885329.mol 000885329.PUBCHEM 000885329.mol (via Jmol)
000885342.b3lyp_6-31g(d).inp

000885342.b3lyp_6-31g(d).qchem.inp (generated)

000885342.b3lyp_6-31g(d).gjf (generated)

000885342.b3lyp_6-31g(d).firefly.inp (generated)

000885342.b3lyp_6-31g(d).smash.inp (generated)

000885342.b3lyp_6-31g(d).nwchem.inp (generated) 000885342.b3lyp_6-31g(d).log.xz 000885342.td-b3lyp_6-31g+(d).inp 000885342.td-b3lyp_6-31g+(d).log.xz

000885342.td-b3lyp_6-31+g(d).qchem.inp (generated)

000885342.td-b3lyp_6-31+g(d).gjf (generated)

000885342.td-b3lyp_6-31+g(d).firefly.inp (generated)

000885342.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000885342.mol 000885342.PUBCHEM 000885342.mol (via Jmol)
000885353.b3lyp_6-31g(d).inp

000885353.b3lyp_6-31g(d).qchem.inp (generated)

000885353.b3lyp_6-31g(d).gjf (generated)

000885353.b3lyp_6-31g(d).firefly.inp (generated)

000885353.b3lyp_6-31g(d).smash.inp (generated)

000885353.b3lyp_6-31g(d).nwchem.inp (generated) 000885353.b3lyp_6-31g(d).log.xz 000885353.td-b3lyp_6-31g+(d).inp 000885353.td-b3lyp_6-31g+(d).log.xz

000885353.td-b3lyp_6-31+g(d).qchem.inp (generated)

000885353.td-b3lyp_6-31+g(d).gjf (generated)

000885353.td-b3lyp_6-31+g(d).firefly.inp (generated)

000885353.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000885353.mol 000885353.PUBCHEM 000885353.mol (via Jmol)
000885397.b3lyp_6-31g(d).inp

000885397.b3lyp_6-31g(d).qchem.inp (generated)

000885397.b3lyp_6-31g(d).gjf (generated)

000885397.b3lyp_6-31g(d).firefly.inp (generated)

000885397.b3lyp_6-31g(d).smash.inp (generated)

000885397.b3lyp_6-31g(d).nwchem.inp (generated) 000885397.b3lyp_6-31g(d).log.xz 000885397.td-b3lyp_6-31g+(d).inp 000885397.td-b3lyp_6-31g+(d).log.xz

000885397.td-b3lyp_6-31+g(d).qchem.inp (generated)

000885397.td-b3lyp_6-31+g(d).gjf (generated)

000885397.td-b3lyp_6-31+g(d).firefly.inp (generated)

000885397.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000885397.mol 000885397.PUBCHEM 000885397.mol (via Jmol)
000885423.b3lyp_6-31g(d).inp

000885423.b3lyp_6-31g(d).qchem.inp (generated)

000885423.b3lyp_6-31g(d).gjf (generated)

000885423.b3lyp_6-31g(d).firefly.inp (generated)

000885423.b3lyp_6-31g(d).smash.inp (generated)

000885423.b3lyp_6-31g(d).nwchem.inp (generated) 000885423.b3lyp_6-31g(d).log.xz 000885423.td-b3lyp_6-31g+(d).inp 000885423.td-b3lyp_6-31g+(d).log.xz

000885423.td-b3lyp_6-31+g(d).qchem.inp (generated)

000885423.td-b3lyp_6-31+g(d).gjf (generated)

000885423.td-b3lyp_6-31+g(d).firefly.inp (generated)

000885423.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000885423.mol 000885423.PUBCHEM 000885423.mol (via Jmol)
000885425.b3lyp_6-31g(d).inp

000885425.b3lyp_6-31g(d).qchem.inp (generated)

000885425.b3lyp_6-31g(d).gjf (generated)

000885425.b3lyp_6-31g(d).firefly.inp (generated)

000885425.b3lyp_6-31g(d).smash.inp (generated)

000885425.b3lyp_6-31g(d).nwchem.inp (generated) 000885425.b3lyp_6-31g(d).log.xz 000885425.td-b3lyp_6-31g+(d).inp 000885425.td-b3lyp_6-31g+(d).log.xz

000885425.td-b3lyp_6-31+g(d).qchem.inp (generated)

000885425.td-b3lyp_6-31+g(d).gjf (generated)

000885425.td-b3lyp_6-31+g(d).firefly.inp (generated)

000885425.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000885425.mol 000885425.PUBCHEM 000885425.mol (via Jmol)
000885436.b3lyp_6-31g(d).inp

000885436.b3lyp_6-31g(d).qchem.inp (generated)

000885436.b3lyp_6-31g(d).gjf (generated)

000885436.b3lyp_6-31g(d).firefly.inp (generated)

000885436.b3lyp_6-31g(d).smash.inp (generated)

000885436.b3lyp_6-31g(d).nwchem.inp (generated) 000885436.b3lyp_6-31g(d).log.xz 000885436.td-b3lyp_6-31g+(d).inp 000885436.td-b3lyp_6-31g+(d).log.xz

000885436.td-b3lyp_6-31+g(d).qchem.inp (generated)

000885436.td-b3lyp_6-31+g(d).gjf (generated)

000885436.td-b3lyp_6-31+g(d).firefly.inp (generated)

000885436.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000885436.mol 000885436.PUBCHEM 000885436.mol (via Jmol)
000885486.b3lyp_6-31g(d).inp

000885486.b3lyp_6-31g(d).qchem.inp (generated)

000885486.b3lyp_6-31g(d).gjf (generated)

000885486.b3lyp_6-31g(d).firefly.inp (generated)

000885486.b3lyp_6-31g(d).smash.inp (generated)

000885486.b3lyp_6-31g(d).nwchem.inp (generated) 000885486.b3lyp_6-31g(d).log.xz 000885486.td-b3lyp_6-31g+(d).inp 000885486.td-b3lyp_6-31g+(d).log.xz

000885486.td-b3lyp_6-31+g(d).qchem.inp (generated)

000885486.td-b3lyp_6-31+g(d).gjf (generated)

000885486.td-b3lyp_6-31+g(d).firefly.inp (generated)

000885486.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000885486.mol 000885486.PUBCHEM 000885486.mol (via Jmol)
000885498.b3lyp_6-31g(d).inp

000885498.b3lyp_6-31g(d).qchem.inp (generated)

000885498.b3lyp_6-31g(d).gjf (generated)

000885498.b3lyp_6-31g(d).firefly.inp (generated)

000885498.b3lyp_6-31g(d).smash.inp (generated)

000885498.b3lyp_6-31g(d).nwchem.inp (generated) 000885498.b3lyp_6-31g(d).log.xz 000885498.td-b3lyp_6-31g+(d).inp 000885498.td-b3lyp_6-31g+(d).log.xz

000885498.td-b3lyp_6-31+g(d).qchem.inp (generated)

000885498.td-b3lyp_6-31+g(d).gjf (generated)

000885498.td-b3lyp_6-31+g(d).firefly.inp (generated)

000885498.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000885498.mol 000885498.PUBCHEM 000885498.mol (via Jmol)
000885586.b3lyp_6-31g(d).inp

000885586.b3lyp_6-31g(d).qchem.inp (generated)

000885586.b3lyp_6-31g(d).gjf (generated)

000885586.b3lyp_6-31g(d).firefly.inp (generated)

000885586.b3lyp_6-31g(d).smash.inp (generated)

000885586.b3lyp_6-31g(d).nwchem.inp (generated) 000885586.b3lyp_6-31g(d).log.xz 000885586.td-b3lyp_6-31g+(d).inp 000885586.td-b3lyp_6-31g+(d).log.xz

000885586.td-b3lyp_6-31+g(d).qchem.inp (generated)

000885586.td-b3lyp_6-31+g(d).gjf (generated)

000885586.td-b3lyp_6-31+g(d).firefly.inp (generated)

000885586.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000885586.mol 000885586.PUBCHEM 000885586.mol (via Jmol)
000885607.b3lyp_6-31g(d).inp

000885607.b3lyp_6-31g(d).qchem.inp (generated)

000885607.b3lyp_6-31g(d).gjf (generated)

000885607.b3lyp_6-31g(d).firefly.inp (generated)

000885607.b3lyp_6-31g(d).smash.inp (generated)

000885607.b3lyp_6-31g(d).nwchem.inp (generated) 000885607.b3lyp_6-31g(d).log.xz 000885607.mol 000885607.PUBCHEM 000885607.mol (via Jmol)
000885609.b3lyp_6-31g(d).inp

000885609.b3lyp_6-31g(d).qchem.inp (generated)

000885609.b3lyp_6-31g(d).gjf (generated)

000885609.b3lyp_6-31g(d).firefly.inp (generated)

000885609.b3lyp_6-31g(d).smash.inp (generated)

000885609.b3lyp_6-31g(d).nwchem.inp (generated) 000885609.b3lyp_6-31g(d).log.xz 000885609.mol 000885609.PUBCHEM 000885609.mol (via Jmol)
000885626.b3lyp_6-31g(d).inp

000885626.b3lyp_6-31g(d).qchem.inp (generated)

000885626.b3lyp_6-31g(d).gjf (generated)

000885626.b3lyp_6-31g(d).firefly.inp (generated)

000885626.b3lyp_6-31g(d).smash.inp (generated)

000885626.b3lyp_6-31g(d).nwchem.inp (generated) 000885626.b3lyp_6-31g(d).log.xz 000885626.mol 000885626.PUBCHEM 000885626.mol (via Jmol)
000885627.b3lyp_6-31g(d).inp

000885627.b3lyp_6-31g(d).qchem.inp (generated)

000885627.b3lyp_6-31g(d).gjf (generated)

000885627.b3lyp_6-31g(d).firefly.inp (generated)

000885627.b3lyp_6-31g(d).smash.inp (generated)

000885627.b3lyp_6-31g(d).nwchem.inp (generated) 000885627.b3lyp_6-31g(d).log.xz 000885627.mol 000885627.PUBCHEM 000885627.mol (via Jmol)
000885633.b3lyp_6-31g(d).inp

000885633.b3lyp_6-31g(d).qchem.inp (generated)

000885633.b3lyp_6-31g(d).gjf (generated)

000885633.b3lyp_6-31g(d).firefly.inp (generated)

000885633.b3lyp_6-31g(d).smash.inp (generated)

000885633.b3lyp_6-31g(d).nwchem.inp (generated) 000885633.b3lyp_6-31g(d).log.xz 000885633.mol 000885633.PUBCHEM 000885633.mol (via Jmol)
000885647.b3lyp_6-31g(d).inp

000885647.b3lyp_6-31g(d).qchem.inp (generated)

000885647.b3lyp_6-31g(d).gjf (generated)

000885647.b3lyp_6-31g(d).firefly.inp (generated)

000885647.b3lyp_6-31g(d).smash.inp (generated)

000885647.b3lyp_6-31g(d).nwchem.inp (generated) 000885647.b3lyp_6-31g(d).log.xz 000885647.td-b3lyp_6-31g+(d).inp 000885647.td-b3lyp_6-31g+(d).log.xz

000885647.td-b3lyp_6-31+g(d).qchem.inp (generated)

000885647.td-b3lyp_6-31+g(d).gjf (generated)

000885647.td-b3lyp_6-31+g(d).firefly.inp (generated)

000885647.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000885647.mol 000885647.PUBCHEM 000885647.mol (via Jmol)
000885652.b3lyp_6-31g(d).inp

000885652.b3lyp_6-31g(d).qchem.inp (generated)

000885652.b3lyp_6-31g(d).gjf (generated)

000885652.b3lyp_6-31g(d).firefly.inp (generated)

000885652.b3lyp_6-31g(d).smash.inp (generated)

000885652.b3lyp_6-31g(d).nwchem.inp (generated) 000885652.b3lyp_6-31g(d).log.xz 000885652.mol 000885652.PUBCHEM 000885652.mol (via Jmol)
000885659.b3lyp_6-31g(d).inp

000885659.b3lyp_6-31g(d).qchem.inp (generated)

000885659.b3lyp_6-31g(d).gjf (generated)

000885659.b3lyp_6-31g(d).firefly.inp (generated)

000885659.b3lyp_6-31g(d).smash.inp (generated)

000885659.b3lyp_6-31g(d).nwchem.inp (generated) 000885659.b3lyp_6-31g(d).log.xz 000885659.td-b3lyp_6-31g+(d).inp 000885659.td-b3lyp_6-31g+(d).log.xz

000885659.td-b3lyp_6-31+g(d).qchem.inp (generated)

000885659.td-b3lyp_6-31+g(d).gjf (generated)

000885659.td-b3lyp_6-31+g(d).firefly.inp (generated)

000885659.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000885659.mol 000885659.PUBCHEM 000885659.mol (via Jmol)
000885668.b3lyp_6-31g(d).inp

000885668.b3lyp_6-31g(d).qchem.inp (generated)

000885668.b3lyp_6-31g(d).gjf (generated)

000885668.b3lyp_6-31g(d).firefly.inp (generated)

000885668.b3lyp_6-31g(d).smash.inp (generated)

000885668.b3lyp_6-31g(d).nwchem.inp (generated) 000885668.b3lyp_6-31g(d).log.xz 000885668.mol 000885668.PUBCHEM 000885668.mol (via Jmol)
000885676.b3lyp_6-31g(d).inp

000885676.b3lyp_6-31g(d).qchem.inp (generated)

000885676.b3lyp_6-31g(d).gjf (generated)

000885676.b3lyp_6-31g(d).firefly.inp (generated)

000885676.b3lyp_6-31g(d).smash.inp (generated)

000885676.b3lyp_6-31g(d).nwchem.inp (generated) 000885676.b3lyp_6-31g(d).log.xz 000885676.td-b3lyp_6-31g+(d).inp 000885676.td-b3lyp_6-31g+(d).log.xz

000885676.td-b3lyp_6-31+g(d).qchem.inp (generated)

000885676.td-b3lyp_6-31+g(d).gjf (generated)

000885676.td-b3lyp_6-31+g(d).firefly.inp (generated)

000885676.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000885676.mol 000885676.PUBCHEM 000885676.mol (via Jmol)
000885686.b3lyp_6-31g(d).inp

000885686.b3lyp_6-31g(d).qchem.inp (generated)

000885686.b3lyp_6-31g(d).gjf (generated)

000885686.b3lyp_6-31g(d).firefly.inp (generated)

000885686.b3lyp_6-31g(d).smash.inp (generated)

000885686.b3lyp_6-31g(d).nwchem.inp (generated) 000885686.b3lyp_6-31g(d).log.xz 000885686.td-b3lyp_6-31g+(d).inp 000885686.td-b3lyp_6-31g+(d).log.xz

000885686.td-b3lyp_6-31+g(d).qchem.inp (generated)

000885686.td-b3lyp_6-31+g(d).gjf (generated)

000885686.td-b3lyp_6-31+g(d).firefly.inp (generated)

000885686.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000885686.mol 000885686.PUBCHEM 000885686.mol (via Jmol)
000885704.b3lyp_6-31g(d).inp

000885704.b3lyp_6-31g(d).qchem.inp (generated)

000885704.b3lyp_6-31g(d).gjf (generated)

000885704.b3lyp_6-31g(d).firefly.inp (generated)

000885704.b3lyp_6-31g(d).smash.inp (generated)

000885704.b3lyp_6-31g(d).nwchem.inp (generated) 000885704.b3lyp_6-31g(d).log.xz 000885704.td-b3lyp_6-31g+(d).inp 000885704.td-b3lyp_6-31g+(d).log.xz

000885704.td-b3lyp_6-31+g(d).qchem.inp (generated)

000885704.td-b3lyp_6-31+g(d).gjf (generated)

000885704.td-b3lyp_6-31+g(d).firefly.inp (generated)

000885704.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000885704.mol 000885704.PUBCHEM 000885704.mol (via Jmol)
000885717.b3lyp_6-31g(d).inp

000885717.b3lyp_6-31g(d).qchem.inp (generated)

000885717.b3lyp_6-31g(d).gjf (generated)

000885717.b3lyp_6-31g(d).firefly.inp (generated)

000885717.b3lyp_6-31g(d).smash.inp (generated)

000885717.b3lyp_6-31g(d).nwchem.inp (generated) 000885717.b3lyp_6-31g(d).log.xz 000885717.td-b3lyp_6-31g+(d).inp 000885717.td-b3lyp_6-31g+(d).log.xz

000885717.td-b3lyp_6-31+g(d).qchem.inp (generated)

000885717.td-b3lyp_6-31+g(d).gjf (generated)

000885717.td-b3lyp_6-31+g(d).firefly.inp (generated)

000885717.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000885717.mol 000885717.PUBCHEM 000885717.mol (via Jmol)
000885721.b3lyp_6-31g(d).inp

000885721.b3lyp_6-31g(d).qchem.inp (generated)

000885721.b3lyp_6-31g(d).gjf (generated)

000885721.b3lyp_6-31g(d).firefly.inp (generated)

000885721.b3lyp_6-31g(d).smash.inp (generated)

000885721.b3lyp_6-31g(d).nwchem.inp (generated) 000885721.b3lyp_6-31g(d).log.xz 000885721.mol 000885721.PUBCHEM 000885721.mol (via Jmol)
000885723.b3lyp_6-31g(d).inp

000885723.b3lyp_6-31g(d).qchem.inp (generated)

000885723.b3lyp_6-31g(d).gjf (generated)

000885723.b3lyp_6-31g(d).firefly.inp (generated)

000885723.b3lyp_6-31g(d).smash.inp (generated)

000885723.b3lyp_6-31g(d).nwchem.inp (generated) 000885723.b3lyp_6-31g(d).log.xz 000885723.td-b3lyp_6-31g+(d).inp 000885723.td-b3lyp_6-31g+(d).log.xz

000885723.td-b3lyp_6-31+g(d).qchem.inp (generated)

000885723.td-b3lyp_6-31+g(d).gjf (generated)

000885723.td-b3lyp_6-31+g(d).firefly.inp (generated)

000885723.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000885723.mol 000885723.PUBCHEM 000885723.mol (via Jmol)
000885750.b3lyp_6-31g(d).inp

000885750.b3lyp_6-31g(d).qchem.inp (generated)

000885750.b3lyp_6-31g(d).gjf (generated)

000885750.b3lyp_6-31g(d).firefly.inp (generated)

000885750.b3lyp_6-31g(d).smash.inp (generated)

000885750.b3lyp_6-31g(d).nwchem.inp (generated) 000885750.b3lyp_6-31g(d).log.xz 000885750.mol 000885750.PUBCHEM 000885750.mol (via Jmol)
000885763.b3lyp_6-31g(d).inp

000885763.b3lyp_6-31g(d).qchem.inp (generated)

000885763.b3lyp_6-31g(d).gjf (generated)

000885763.b3lyp_6-31g(d).firefly.inp (generated)

000885763.b3lyp_6-31g(d).smash.inp (generated)

000885763.b3lyp_6-31g(d).nwchem.inp (generated) 000885763.b3lyp_6-31g(d).log.xz 000885763.mol 000885763.PUBCHEM 000885763.mol (via Jmol)
000885765.b3lyp_6-31g(d).inp

000885765.b3lyp_6-31g(d).qchem.inp (generated)

000885765.b3lyp_6-31g(d).gjf (generated)

000885765.b3lyp_6-31g(d).firefly.inp (generated)

000885765.b3lyp_6-31g(d).smash.inp (generated)

000885765.b3lyp_6-31g(d).nwchem.inp (generated) 000885765.b3lyp_6-31g(d).log.xz 000885765.td-b3lyp_6-31g+(d).inp 000885765.td-b3lyp_6-31g+(d).log.xz

000885765.td-b3lyp_6-31+g(d).qchem.inp (generated)

000885765.td-b3lyp_6-31+g(d).gjf (generated)

000885765.td-b3lyp_6-31+g(d).firefly.inp (generated)

000885765.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000885765.mol 000885765.PUBCHEM 000885765.mol (via Jmol)
000885768.b3lyp_6-31g(d).inp

000885768.b3lyp_6-31g(d).qchem.inp (generated)

000885768.b3lyp_6-31g(d).gjf (generated)

000885768.b3lyp_6-31g(d).firefly.inp (generated)

000885768.b3lyp_6-31g(d).smash.inp (generated)

000885768.b3lyp_6-31g(d).nwchem.inp (generated) 000885768.b3lyp_6-31g(d).log.xz 000885768.mol 000885768.PUBCHEM 000885768.mol (via Jmol)
000885776.b3lyp_6-31g(d).inp

000885776.b3lyp_6-31g(d).qchem.inp (generated)

000885776.b3lyp_6-31g(d).gjf (generated)

000885776.b3lyp_6-31g(d).firefly.inp (generated)

000885776.b3lyp_6-31g(d).smash.inp (generated)

000885776.b3lyp_6-31g(d).nwchem.inp (generated) 000885776.b3lyp_6-31g(d).log.xz 000885776.td-b3lyp_6-31g+(d).inp 000885776.td-b3lyp_6-31g+(d).log.xz

000885776.td-b3lyp_6-31+g(d).qchem.inp (generated)

000885776.td-b3lyp_6-31+g(d).gjf (generated)

000885776.td-b3lyp_6-31+g(d).firefly.inp (generated)

000885776.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000885776.mol 000885776.PUBCHEM 000885776.mol (via Jmol)
000885803.b3lyp_6-31g(d).inp

000885803.b3lyp_6-31g(d).qchem.inp (generated)

000885803.b3lyp_6-31g(d).gjf (generated)

000885803.b3lyp_6-31g(d).firefly.inp (generated)

000885803.b3lyp_6-31g(d).smash.inp (generated)

000885803.b3lyp_6-31g(d).nwchem.inp (generated) 000885803.b3lyp_6-31g(d).log.xz 000885803.mol 000885803.PUBCHEM 000885803.mol (via Jmol)
000885809.b3lyp_6-31g(d).inp

000885809.b3lyp_6-31g(d).qchem.inp (generated)

000885809.b3lyp_6-31g(d).gjf (generated)

000885809.b3lyp_6-31g(d).firefly.inp (generated)

000885809.b3lyp_6-31g(d).smash.inp (generated)

000885809.b3lyp_6-31g(d).nwchem.inp (generated) 000885809.b3lyp_6-31g(d).log.xz 000885809.td-b3lyp_6-31g+(d).inp 000885809.td-b3lyp_6-31g+(d).log.xz

000885809.td-b3lyp_6-31+g(d).qchem.inp (generated)

000885809.td-b3lyp_6-31+g(d).gjf (generated)

000885809.td-b3lyp_6-31+g(d).firefly.inp (generated)

000885809.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000885809.mol 000885809.PUBCHEM 000885809.mol (via Jmol)
000885816.b3lyp_6-31g(d).inp

000885816.b3lyp_6-31g(d).qchem.inp (generated)

000885816.b3lyp_6-31g(d).gjf (generated)

000885816.b3lyp_6-31g(d).firefly.inp (generated)

000885816.b3lyp_6-31g(d).smash.inp (generated)

000885816.b3lyp_6-31g(d).nwchem.inp (generated) 000885816.b3lyp_6-31g(d).log.xz 000885816.mol 000885816.PUBCHEM 000885816.mol (via Jmol)
000885835.b3lyp_6-31g(d).inp

000885835.b3lyp_6-31g(d).qchem.inp (generated)

000885835.b3lyp_6-31g(d).gjf (generated)

000885835.b3lyp_6-31g(d).firefly.inp (generated)

000885835.b3lyp_6-31g(d).smash.inp (generated)

000885835.b3lyp_6-31g(d).nwchem.inp (generated) 000885835.b3lyp_6-31g(d).log.xz 000885835.td-b3lyp_6-31g+(d).inp 000885835.td-b3lyp_6-31g+(d).log.xz

000885835.td-b3lyp_6-31+g(d).qchem.inp (generated)

000885835.td-b3lyp_6-31+g(d).gjf (generated)

000885835.td-b3lyp_6-31+g(d).firefly.inp (generated)

000885835.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000885835.mol 000885835.PUBCHEM 000885835.mol (via Jmol)
000885837.b3lyp_6-31g(d).inp

000885837.b3lyp_6-31g(d).qchem.inp (generated)

000885837.b3lyp_6-31g(d).gjf (generated)

000885837.b3lyp_6-31g(d).firefly.inp (generated)

000885837.b3lyp_6-31g(d).smash.inp (generated)

000885837.b3lyp_6-31g(d).nwchem.inp (generated) 000885837.b3lyp_6-31g(d).log.xz 000885837.td-b3lyp_6-31g+(d).inp 000885837.td-b3lyp_6-31g+(d).log.xz

000885837.td-b3lyp_6-31+g(d).qchem.inp (generated)

000885837.td-b3lyp_6-31+g(d).gjf (generated)

000885837.td-b3lyp_6-31+g(d).firefly.inp (generated)

000885837.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000885837.mol 000885837.PUBCHEM 000885837.mol (via Jmol)
000885847.b3lyp_6-31g(d).inp

000885847.b3lyp_6-31g(d).qchem.inp (generated)

000885847.b3lyp_6-31g(d).gjf (generated)

000885847.b3lyp_6-31g(d).firefly.inp (generated)

000885847.b3lyp_6-31g(d).smash.inp (generated)

000885847.b3lyp_6-31g(d).nwchem.inp (generated) 000885847.b3lyp_6-31g(d).log.xz 000885847.mol 000885847.PUBCHEM 000885847.mol (via Jmol)
000885851.b3lyp_6-31g(d).inp

000885851.b3lyp_6-31g(d).qchem.inp (generated)

000885851.b3lyp_6-31g(d).gjf (generated)

000885851.b3lyp_6-31g(d).firefly.inp (generated)

000885851.b3lyp_6-31g(d).smash.inp (generated)

000885851.b3lyp_6-31g(d).nwchem.inp (generated) 000885851.b3lyp_6-31g(d).log.xz 000885851.td-b3lyp_6-31g+(d).inp 000885851.td-b3lyp_6-31g+(d).log.xz

000885851.td-b3lyp_6-31+g(d).qchem.inp (generated)

000885851.td-b3lyp_6-31+g(d).gjf (generated)

000885851.td-b3lyp_6-31+g(d).firefly.inp (generated)

000885851.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000885851.mol 000885851.PUBCHEM 000885851.mol (via Jmol)
000885868.b3lyp_6-31g(d).inp

000885868.b3lyp_6-31g(d).qchem.inp (generated)

000885868.b3lyp_6-31g(d).gjf (generated)

000885868.b3lyp_6-31g(d).firefly.inp (generated)

000885868.b3lyp_6-31g(d).smash.inp (generated)

000885868.b3lyp_6-31g(d).nwchem.inp (generated) 000885868.b3lyp_6-31g(d).log.xz 000885868.td-b3lyp_6-31g+(d).inp 000885868.td-b3lyp_6-31g+(d).log.xz

000885868.td-b3lyp_6-31+g(d).qchem.inp (generated)

000885868.td-b3lyp_6-31+g(d).gjf (generated)

000885868.td-b3lyp_6-31+g(d).firefly.inp (generated)

000885868.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000885868.mol 000885868.PUBCHEM 000885868.mol (via Jmol)
000885873.b3lyp_6-31g(d).inp

000885873.b3lyp_6-31g(d).qchem.inp (generated)

000885873.b3lyp_6-31g(d).gjf (generated)

000885873.b3lyp_6-31g(d).firefly.inp (generated)

000885873.b3lyp_6-31g(d).smash.inp (generated)

000885873.b3lyp_6-31g(d).nwchem.inp (generated) 000885873.b3lyp_6-31g(d).log.xz 000885873.mol 000885873.PUBCHEM 000885873.mol (via Jmol)
000885878.b3lyp_6-31g(d).inp

000885878.b3lyp_6-31g(d).qchem.inp (generated)

000885878.b3lyp_6-31g(d).gjf (generated)

000885878.b3lyp_6-31g(d).firefly.inp (generated)

000885878.b3lyp_6-31g(d).smash.inp (generated)

000885878.b3lyp_6-31g(d).nwchem.inp (generated) 000885878.b3lyp_6-31g(d).log.xz 000885878.mol 000885878.PUBCHEM 000885878.mol (via Jmol)
000885888.b3lyp_6-31g(d).inp

000885888.b3lyp_6-31g(d).qchem.inp (generated)

000885888.b3lyp_6-31g(d).gjf (generated)

000885888.b3lyp_6-31g(d).firefly.inp (generated)

000885888.b3lyp_6-31g(d).smash.inp (generated)

000885888.b3lyp_6-31g(d).nwchem.inp (generated) 000885888.b3lyp_6-31g(d).log.xz 000885888.mol 000885888.PUBCHEM 000885888.mol (via Jmol)
000885895.b3lyp_6-31g(d).inp

000885895.b3lyp_6-31g(d).qchem.inp (generated)

000885895.b3lyp_6-31g(d).gjf (generated)

000885895.b3lyp_6-31g(d).firefly.inp (generated)

000885895.b3lyp_6-31g(d).smash.inp (generated)

000885895.b3lyp_6-31g(d).nwchem.inp (generated) 000885895.b3lyp_6-31g(d).log.xz 000885895.td-b3lyp_6-31g+(d).inp 000885895.td-b3lyp_6-31g+(d).log.xz

000885895.td-b3lyp_6-31+g(d).qchem.inp (generated)

000885895.td-b3lyp_6-31+g(d).gjf (generated)

000885895.td-b3lyp_6-31+g(d).firefly.inp (generated)

000885895.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000885895.mol 000885895.PUBCHEM 000885895.mol (via Jmol)
000885905.b3lyp_6-31g(d).inp

000885905.b3lyp_6-31g(d).qchem.inp (generated)

000885905.b3lyp_6-31g(d).gjf (generated)

000885905.b3lyp_6-31g(d).firefly.inp (generated)

000885905.b3lyp_6-31g(d).smash.inp (generated)

000885905.b3lyp_6-31g(d).nwchem.inp (generated) 000885905.b3lyp_6-31g(d).log.xz 000885905.td-b3lyp_6-31g+(d).inp 000885905.td-b3lyp_6-31g+(d).log.xz

000885905.td-b3lyp_6-31+g(d).qchem.inp (generated)

000885905.td-b3lyp_6-31+g(d).gjf (generated)

000885905.td-b3lyp_6-31+g(d).firefly.inp (generated)

000885905.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000885905.mol 000885905.PUBCHEM 000885905.mol (via Jmol)
000885906.b3lyp_6-31g(d).inp

000885906.b3lyp_6-31g(d).qchem.inp (generated)

000885906.b3lyp_6-31g(d).gjf (generated)

000885906.b3lyp_6-31g(d).firefly.inp (generated)

000885906.b3lyp_6-31g(d).smash.inp (generated)

000885906.b3lyp_6-31g(d).nwchem.inp (generated) 000885906.b3lyp_6-31g(d).log.xz 000885906.mol 000885906.PUBCHEM 000885906.mol (via Jmol)
000885927.b3lyp_6-31g(d).inp

000885927.b3lyp_6-31g(d).qchem.inp (generated)

000885927.b3lyp_6-31g(d).gjf (generated)

000885927.b3lyp_6-31g(d).firefly.inp (generated)

000885927.b3lyp_6-31g(d).smash.inp (generated)

000885927.b3lyp_6-31g(d).nwchem.inp (generated) 000885927.b3lyp_6-31g(d).log.xz 000885927.mol 000885927.PUBCHEM 000885927.mol (via Jmol)
000885940.b3lyp_6-31g(d).inp

000885940.b3lyp_6-31g(d).qchem.inp (generated)

000885940.b3lyp_6-31g(d).gjf (generated)

000885940.b3lyp_6-31g(d).firefly.inp (generated)

000885940.b3lyp_6-31g(d).smash.inp (generated)

000885940.b3lyp_6-31g(d).nwchem.inp (generated) 000885940.b3lyp_6-31g(d).log.xz 000885940.td-b3lyp_6-31g+(d).inp 000885940.td-b3lyp_6-31g+(d).log.xz

000885940.td-b3lyp_6-31+g(d).qchem.inp (generated)

000885940.td-b3lyp_6-31+g(d).gjf (generated)

000885940.td-b3lyp_6-31+g(d).firefly.inp (generated)

000885940.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000885940.mol 000885940.PUBCHEM 000885940.mol (via Jmol)