Index of

Last updated : Thu Aug 17 01:52:36 JST 2017
Total : 1616 (1295) in this page
000850137.b3lyp_6-31g(d).inp

000850137.b3lyp_6-31g(d).qchem.inp (generated)

000850137.b3lyp_6-31g(d).gjf (generated)

000850137.b3lyp_6-31g(d).firefly.inp (generated)

000850137.b3lyp_6-31g(d).smash.inp (generated)

000850137.b3lyp_6-31g(d).nwchem.inp (generated) 000850137.b3lyp_6-31g(d).log.xz 000850137.td-b3lyp_6-31g+(d).inp 000850137.td-b3lyp_6-31g+(d).log.xz

000850137.td-b3lyp_6-31+g(d).qchem.inp (generated)

000850137.td-b3lyp_6-31+g(d).gjf (generated)

000850137.td-b3lyp_6-31+g(d).firefly.inp (generated)

000850137.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000850137.mol 000850137.PUBCHEM 000850137.mol (via Jmol)
000850140.b3lyp_6-31g(d).inp

000850140.b3lyp_6-31g(d).qchem.inp (generated)

000850140.b3lyp_6-31g(d).gjf (generated)

000850140.b3lyp_6-31g(d).firefly.inp (generated)

000850140.b3lyp_6-31g(d).smash.inp (generated)

000850140.b3lyp_6-31g(d).nwchem.inp (generated) 000850140.b3lyp_6-31g(d).log.xz 000850140.td-b3lyp_6-31g+(d).inp 000850140.td-b3lyp_6-31g+(d).log.xz

000850140.td-b3lyp_6-31+g(d).qchem.inp (generated)

000850140.td-b3lyp_6-31+g(d).gjf (generated)

000850140.td-b3lyp_6-31+g(d).firefly.inp (generated)

000850140.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000850140.mol 000850140.PUBCHEM 000850140.mol (via Jmol)
000850145.b3lyp_6-31g(d).inp

000850145.b3lyp_6-31g(d).qchem.inp (generated)

000850145.b3lyp_6-31g(d).gjf (generated)

000850145.b3lyp_6-31g(d).firefly.inp (generated)

000850145.b3lyp_6-31g(d).smash.inp (generated)

000850145.b3lyp_6-31g(d).nwchem.inp (generated) 000850145.b3lyp_6-31g(d).log.xz 000850145.td-b3lyp_6-31g+(d).inp 000850145.td-b3lyp_6-31g+(d).log.xz

000850145.td-b3lyp_6-31+g(d).qchem.inp (generated)

000850145.td-b3lyp_6-31+g(d).gjf (generated)

000850145.td-b3lyp_6-31+g(d).firefly.inp (generated)

000850145.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000850145.mol 000850145.PUBCHEM 000850145.mol (via Jmol)
000850163.b3lyp_6-31g(d).inp

000850163.b3lyp_6-31g(d).qchem.inp (generated)

000850163.b3lyp_6-31g(d).gjf (generated)

000850163.b3lyp_6-31g(d).firefly.inp (generated)

000850163.b3lyp_6-31g(d).smash.inp (generated)

000850163.b3lyp_6-31g(d).nwchem.inp (generated) 000850163.b3lyp_6-31g(d).log.xz 000850163.td-b3lyp_6-31g+(d).inp 000850163.td-b3lyp_6-31g+(d).log.xz

000850163.td-b3lyp_6-31+g(d).qchem.inp (generated)

000850163.td-b3lyp_6-31+g(d).gjf (generated)

000850163.td-b3lyp_6-31+g(d).firefly.inp (generated)

000850163.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000850163.mol 000850163.PUBCHEM 000850163.mol (via Jmol)
000850171.b3lyp_6-31g(d).inp

000850171.b3lyp_6-31g(d).qchem.inp (generated)

000850171.b3lyp_6-31g(d).gjf (generated)

000850171.b3lyp_6-31g(d).firefly.inp (generated)

000850171.b3lyp_6-31g(d).smash.inp (generated)

000850171.b3lyp_6-31g(d).nwchem.inp (generated) 000850171.b3lyp_6-31g(d).log.xz 000850171.td-b3lyp_6-31g+(d).inp 000850171.td-b3lyp_6-31g+(d).log.xz

000850171.td-b3lyp_6-31+g(d).qchem.inp (generated)

000850171.td-b3lyp_6-31+g(d).gjf (generated)

000850171.td-b3lyp_6-31+g(d).firefly.inp (generated)

000850171.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000850171.mol 000850171.PUBCHEM 000850171.mol (via Jmol)
000850173.b3lyp_6-31g(d).inp

000850173.b3lyp_6-31g(d).qchem.inp (generated)

000850173.b3lyp_6-31g(d).gjf (generated)

000850173.b3lyp_6-31g(d).firefly.inp (generated)

000850173.b3lyp_6-31g(d).smash.inp (generated)

000850173.b3lyp_6-31g(d).nwchem.inp (generated) 000850173.b3lyp_6-31g(d).log.xz 000850173.td-b3lyp_6-31g+(d).inp 000850173.td-b3lyp_6-31g+(d).log.xz

000850173.td-b3lyp_6-31+g(d).qchem.inp (generated)

000850173.td-b3lyp_6-31+g(d).gjf (generated)

000850173.td-b3lyp_6-31+g(d).firefly.inp (generated)

000850173.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000850173.mol 000850173.PUBCHEM 000850173.mol (via Jmol)
000850181.b3lyp_6-31g(d).inp

000850181.b3lyp_6-31g(d).qchem.inp (generated)

000850181.b3lyp_6-31g(d).gjf (generated)

000850181.b3lyp_6-31g(d).firefly.inp (generated)

000850181.b3lyp_6-31g(d).smash.inp (generated)

000850181.b3lyp_6-31g(d).nwchem.inp (generated) 000850181.b3lyp_6-31g(d).log.xz 000850181.td-b3lyp_6-31g+(d).inp 000850181.td-b3lyp_6-31g+(d).log.xz

000850181.td-b3lyp_6-31+g(d).qchem.inp (generated)

000850181.td-b3lyp_6-31+g(d).gjf (generated)

000850181.td-b3lyp_6-31+g(d).firefly.inp (generated)

000850181.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000850181.mol 000850181.PUBCHEM 000850181.mol (via Jmol)
000850185.b3lyp_6-31g(d).inp

000850185.b3lyp_6-31g(d).qchem.inp (generated)

000850185.b3lyp_6-31g(d).gjf (generated)

000850185.b3lyp_6-31g(d).firefly.inp (generated)

000850185.b3lyp_6-31g(d).smash.inp (generated)

000850185.b3lyp_6-31g(d).nwchem.inp (generated) 000850185.b3lyp_6-31g(d).log.xz 000850185.td-b3lyp_6-31g+(d).inp 000850185.td-b3lyp_6-31g+(d).log.xz

000850185.td-b3lyp_6-31+g(d).qchem.inp (generated)

000850185.td-b3lyp_6-31+g(d).gjf (generated)

000850185.td-b3lyp_6-31+g(d).firefly.inp (generated)

000850185.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000850185.mol 000850185.PUBCHEM 000850185.mol (via Jmol)
000850188.b3lyp_6-31g(d).inp

000850188.b3lyp_6-31g(d).qchem.inp (generated)

000850188.b3lyp_6-31g(d).gjf (generated)

000850188.b3lyp_6-31g(d).firefly.inp (generated)

000850188.b3lyp_6-31g(d).smash.inp (generated)

000850188.b3lyp_6-31g(d).nwchem.inp (generated) 000850188.b3lyp_6-31g(d).log.xz 000850188.mol 000850188.PUBCHEM 000850188.mol (via Jmol)
000850190.b3lyp_6-31g(d).inp

000850190.b3lyp_6-31g(d).qchem.inp (generated)

000850190.b3lyp_6-31g(d).gjf (generated)

000850190.b3lyp_6-31g(d).firefly.inp (generated)

000850190.b3lyp_6-31g(d).smash.inp (generated)

000850190.b3lyp_6-31g(d).nwchem.inp (generated) 000850190.b3lyp_6-31g(d).log.xz 000850190.mol 000850190.PUBCHEM 000850190.mol (via Jmol)
000850192.b3lyp_6-31g(d).inp

000850192.b3lyp_6-31g(d).qchem.inp (generated)

000850192.b3lyp_6-31g(d).gjf (generated)

000850192.b3lyp_6-31g(d).firefly.inp (generated)

000850192.b3lyp_6-31g(d).smash.inp (generated)

000850192.b3lyp_6-31g(d).nwchem.inp (generated) 000850192.b3lyp_6-31g(d).log.xz 000850192.td-b3lyp_6-31g+(d).inp 000850192.td-b3lyp_6-31g+(d).log.xz

000850192.td-b3lyp_6-31+g(d).qchem.inp (generated)

000850192.td-b3lyp_6-31+g(d).gjf (generated)

000850192.td-b3lyp_6-31+g(d).firefly.inp (generated)

000850192.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000850192.mol 000850192.PUBCHEM 000850192.mol (via Jmol)
000850196.b3lyp_6-31g(d).inp

000850196.b3lyp_6-31g(d).qchem.inp (generated)

000850196.b3lyp_6-31g(d).gjf (generated)

000850196.b3lyp_6-31g(d).firefly.inp (generated)

000850196.b3lyp_6-31g(d).smash.inp (generated)

000850196.b3lyp_6-31g(d).nwchem.inp (generated) 000850196.b3lyp_6-31g(d).log.xz 000850196.mol 000850196.PUBCHEM 000850196.mol (via Jmol)
000850197.b3lyp_6-31g(d).inp

000850197.b3lyp_6-31g(d).qchem.inp (generated)

000850197.b3lyp_6-31g(d).gjf (generated)

000850197.b3lyp_6-31g(d).firefly.inp (generated)

000850197.b3lyp_6-31g(d).smash.inp (generated)

000850197.b3lyp_6-31g(d).nwchem.inp (generated) 000850197.b3lyp_6-31g(d).log.xz 000850197.mol 000850197.PUBCHEM 000850197.mol (via Jmol)
000850202.b3lyp_6-31g(d).inp

000850202.b3lyp_6-31g(d).qchem.inp (generated)

000850202.b3lyp_6-31g(d).gjf (generated)

000850202.b3lyp_6-31g(d).firefly.inp (generated)

000850202.b3lyp_6-31g(d).smash.inp (generated)

000850202.b3lyp_6-31g(d).nwchem.inp (generated) 000850202.b3lyp_6-31g(d).log.xz 000850202.td-b3lyp_6-31g+(d).inp 000850202.td-b3lyp_6-31g+(d).log.xz

000850202.td-b3lyp_6-31+g(d).qchem.inp (generated)

000850202.td-b3lyp_6-31+g(d).gjf (generated)

000850202.td-b3lyp_6-31+g(d).firefly.inp (generated)

000850202.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000850202.mol 000850202.PUBCHEM 000850202.mol (via Jmol)
000850207.b3lyp_6-31g(d).inp

000850207.b3lyp_6-31g(d).qchem.inp (generated)

000850207.b3lyp_6-31g(d).gjf (generated)

000850207.b3lyp_6-31g(d).firefly.inp (generated)

000850207.b3lyp_6-31g(d).smash.inp (generated)

000850207.b3lyp_6-31g(d).nwchem.inp (generated) 000850207.b3lyp_6-31g(d).log.xz 000850207.td-b3lyp_6-31g+(d).inp 000850207.td-b3lyp_6-31g+(d).log.xz

000850207.td-b3lyp_6-31+g(d).qchem.inp (generated)

000850207.td-b3lyp_6-31+g(d).gjf (generated)

000850207.td-b3lyp_6-31+g(d).firefly.inp (generated)

000850207.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000850207.mol 000850207.PUBCHEM 000850207.mol (via Jmol)
000850221.b3lyp_6-31g(d).inp

000850221.b3lyp_6-31g(d).qchem.inp (generated)

000850221.b3lyp_6-31g(d).gjf (generated)

000850221.b3lyp_6-31g(d).firefly.inp (generated)

000850221.b3lyp_6-31g(d).smash.inp (generated)

000850221.b3lyp_6-31g(d).nwchem.inp (generated) 000850221.b3lyp_6-31g(d).log.xz 000850221.td-b3lyp_6-31g+(d).inp 000850221.td-b3lyp_6-31g+(d).log.xz

000850221.td-b3lyp_6-31+g(d).qchem.inp (generated)

000850221.td-b3lyp_6-31+g(d).gjf (generated)

000850221.td-b3lyp_6-31+g(d).firefly.inp (generated)

000850221.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000850221.mol 000850221.PUBCHEM 000850221.mol (via Jmol)
000850228.b3lyp_6-31g(d).inp

000850228.b3lyp_6-31g(d).qchem.inp (generated)

000850228.b3lyp_6-31g(d).gjf (generated)

000850228.b3lyp_6-31g(d).firefly.inp (generated)

000850228.b3lyp_6-31g(d).smash.inp (generated)

000850228.b3lyp_6-31g(d).nwchem.inp (generated) 000850228.b3lyp_6-31g(d).log.xz 000850228.td-b3lyp_6-31g+(d).inp 000850228.td-b3lyp_6-31g+(d).log.xz

000850228.td-b3lyp_6-31+g(d).qchem.inp (generated)

000850228.td-b3lyp_6-31+g(d).gjf (generated)

000850228.td-b3lyp_6-31+g(d).firefly.inp (generated)

000850228.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000850228.mol 000850228.PUBCHEM 000850228.mol (via Jmol)
000850229.b3lyp_6-31g(d).inp

000850229.b3lyp_6-31g(d).qchem.inp (generated)

000850229.b3lyp_6-31g(d).gjf (generated)

000850229.b3lyp_6-31g(d).firefly.inp (generated)

000850229.b3lyp_6-31g(d).smash.inp (generated)

000850229.b3lyp_6-31g(d).nwchem.inp (generated) 000850229.b3lyp_6-31g(d).log.xz 000850229.td-b3lyp_6-31g+(d).inp 000850229.td-b3lyp_6-31g+(d).log.xz

000850229.td-b3lyp_6-31+g(d).qchem.inp (generated)

000850229.td-b3lyp_6-31+g(d).gjf (generated)

000850229.td-b3lyp_6-31+g(d).firefly.inp (generated)

000850229.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000850229.mol 000850229.PUBCHEM 000850229.mol (via Jmol)
000850230.b3lyp_6-31g(d).inp

000850230.b3lyp_6-31g(d).qchem.inp (generated)

000850230.b3lyp_6-31g(d).gjf (generated)

000850230.b3lyp_6-31g(d).firefly.inp (generated)

000850230.b3lyp_6-31g(d).smash.inp (generated)

000850230.b3lyp_6-31g(d).nwchem.inp (generated) 000850230.b3lyp_6-31g(d).log.xz 000850230.td-b3lyp_6-31g+(d).inp 000850230.td-b3lyp_6-31g+(d).log.xz

000850230.td-b3lyp_6-31+g(d).qchem.inp (generated)

000850230.td-b3lyp_6-31+g(d).gjf (generated)

000850230.td-b3lyp_6-31+g(d).firefly.inp (generated)

000850230.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000850230.mol 000850230.PUBCHEM 000850230.mol (via Jmol)
000850263.b3lyp_6-31g(d).inp

000850263.b3lyp_6-31g(d).qchem.inp (generated)

000850263.b3lyp_6-31g(d).gjf (generated)

000850263.b3lyp_6-31g(d).firefly.inp (generated)

000850263.b3lyp_6-31g(d).smash.inp (generated)

000850263.b3lyp_6-31g(d).nwchem.inp (generated) 000850263.b3lyp_6-31g(d).log.xz 000850263.td-b3lyp_6-31g+(d).inp 000850263.td-b3lyp_6-31g+(d).log.xz

000850263.td-b3lyp_6-31+g(d).qchem.inp (generated)

000850263.td-b3lyp_6-31+g(d).gjf (generated)

000850263.td-b3lyp_6-31+g(d).firefly.inp (generated)

000850263.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000850263.mol 000850263.PUBCHEM 000850263.mol (via Jmol)
000850271.b3lyp_6-31g(d).inp

000850271.b3lyp_6-31g(d).qchem.inp (generated)

000850271.b3lyp_6-31g(d).gjf (generated)

000850271.b3lyp_6-31g(d).firefly.inp (generated)

000850271.b3lyp_6-31g(d).smash.inp (generated)

000850271.b3lyp_6-31g(d).nwchem.inp (generated) 000850271.b3lyp_6-31g(d).log.xz 000850271.td-b3lyp_6-31g+(d).inp 000850271.td-b3lyp_6-31g+(d).log.xz

000850271.td-b3lyp_6-31+g(d).qchem.inp (generated)

000850271.td-b3lyp_6-31+g(d).gjf (generated)

000850271.td-b3lyp_6-31+g(d).firefly.inp (generated)

000850271.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000850271.mol 000850271.PUBCHEM 000850271.mol (via Jmol)
000850301.b3lyp_6-31g(d).inp

000850301.b3lyp_6-31g(d).qchem.inp (generated)

000850301.b3lyp_6-31g(d).gjf (generated)

000850301.b3lyp_6-31g(d).firefly.inp (generated)

000850301.b3lyp_6-31g(d).smash.inp (generated)

000850301.b3lyp_6-31g(d).nwchem.inp (generated) 000850301.b3lyp_6-31g(d).log.xz 000850301.mol 000850301.PUBCHEM 000850301.mol (via Jmol)
000850304.b3lyp_6-31g(d).inp

000850304.b3lyp_6-31g(d).qchem.inp (generated)

000850304.b3lyp_6-31g(d).gjf (generated)

000850304.b3lyp_6-31g(d).firefly.inp (generated)

000850304.b3lyp_6-31g(d).smash.inp (generated)

000850304.b3lyp_6-31g(d).nwchem.inp (generated) 000850304.b3lyp_6-31g(d).log.xz 000850304.td-b3lyp_6-31g+(d).inp 000850304.td-b3lyp_6-31g+(d).log.xz

000850304.td-b3lyp_6-31+g(d).qchem.inp (generated)

000850304.td-b3lyp_6-31+g(d).gjf (generated)

000850304.td-b3lyp_6-31+g(d).firefly.inp (generated)

000850304.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000850304.mol 000850304.PUBCHEM 000850304.mol (via Jmol)
000850334.b3lyp_6-31g(d).inp

000850334.b3lyp_6-31g(d).qchem.inp (generated)

000850334.b3lyp_6-31g(d).gjf (generated)

000850334.b3lyp_6-31g(d).firefly.inp (generated)

000850334.b3lyp_6-31g(d).smash.inp (generated)

000850334.b3lyp_6-31g(d).nwchem.inp (generated) 000850334.b3lyp_6-31g(d).log.xz 000850334.td-b3lyp_6-31g+(d).inp 000850334.td-b3lyp_6-31g+(d).log.xz

000850334.td-b3lyp_6-31+g(d).qchem.inp (generated)

000850334.td-b3lyp_6-31+g(d).gjf (generated)

000850334.td-b3lyp_6-31+g(d).firefly.inp (generated)

000850334.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000850334.mol 000850334.PUBCHEM 000850334.mol (via Jmol)
000850345.b3lyp_6-31g(d).inp

000850345.b3lyp_6-31g(d).qchem.inp (generated)

000850345.b3lyp_6-31g(d).gjf (generated)

000850345.b3lyp_6-31g(d).firefly.inp (generated)

000850345.b3lyp_6-31g(d).smash.inp (generated)

000850345.b3lyp_6-31g(d).nwchem.inp (generated) 000850345.b3lyp_6-31g(d).log.xz 000850345.td-b3lyp_6-31g+(d).inp 000850345.td-b3lyp_6-31g+(d).log.xz

000850345.td-b3lyp_6-31+g(d).qchem.inp (generated)

000850345.td-b3lyp_6-31+g(d).gjf (generated)

000850345.td-b3lyp_6-31+g(d).firefly.inp (generated)

000850345.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000850345.mol 000850345.PUBCHEM 000850345.mol (via Jmol)
000850391.b3lyp_6-31g(d).inp

000850391.b3lyp_6-31g(d).qchem.inp (generated)

000850391.b3lyp_6-31g(d).gjf (generated)

000850391.b3lyp_6-31g(d).firefly.inp (generated)

000850391.b3lyp_6-31g(d).smash.inp (generated)

000850391.b3lyp_6-31g(d).nwchem.inp (generated) 000850391.b3lyp_6-31g(d).log.xz 000850391.mol 000850391.PUBCHEM 000850391.mol (via Jmol)
000850392.b3lyp_6-31g(d).inp

000850392.b3lyp_6-31g(d).qchem.inp (generated)

000850392.b3lyp_6-31g(d).gjf (generated)

000850392.b3lyp_6-31g(d).firefly.inp (generated)

000850392.b3lyp_6-31g(d).smash.inp (generated)

000850392.b3lyp_6-31g(d).nwchem.inp (generated) 000850392.b3lyp_6-31g(d).log.xz 000850392.td-b3lyp_6-31g+(d).inp 000850392.td-b3lyp_6-31g+(d).log.xz

000850392.td-b3lyp_6-31+g(d).qchem.inp (generated)

000850392.td-b3lyp_6-31+g(d).gjf (generated)

000850392.td-b3lyp_6-31+g(d).firefly.inp (generated)

000850392.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000850392.mol 000850392.PUBCHEM 000850392.mol (via Jmol)
000850393.b3lyp_6-31g(d).inp

000850393.b3lyp_6-31g(d).qchem.inp (generated)

000850393.b3lyp_6-31g(d).gjf (generated)

000850393.b3lyp_6-31g(d).firefly.inp (generated)

000850393.b3lyp_6-31g(d).smash.inp (generated)

000850393.b3lyp_6-31g(d).nwchem.inp (generated) 000850393.b3lyp_6-31g(d).log.xz 000850393.td-b3lyp_6-31g+(d).inp 000850393.td-b3lyp_6-31g+(d).log.xz

000850393.td-b3lyp_6-31+g(d).qchem.inp (generated)

000850393.td-b3lyp_6-31+g(d).gjf (generated)

000850393.td-b3lyp_6-31+g(d).firefly.inp (generated)

000850393.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000850393.mol 000850393.PUBCHEM 000850393.mol (via Jmol)
000850409.b3lyp_6-31g(d).inp

000850409.b3lyp_6-31g(d).qchem.inp (generated)

000850409.b3lyp_6-31g(d).gjf (generated)

000850409.b3lyp_6-31g(d).firefly.inp (generated)

000850409.b3lyp_6-31g(d).smash.inp (generated)

000850409.b3lyp_6-31g(d).nwchem.inp (generated) 000850409.b3lyp_6-31g(d).log.xz 000850409.mol 000850409.PUBCHEM 000850409.mol (via Jmol)
000850410.b3lyp_6-31g(d).inp

000850410.b3lyp_6-31g(d).qchem.inp (generated)

000850410.b3lyp_6-31g(d).gjf (generated)

000850410.b3lyp_6-31g(d).firefly.inp (generated)

000850410.b3lyp_6-31g(d).smash.inp (generated)

000850410.b3lyp_6-31g(d).nwchem.inp (generated) 000850410.b3lyp_6-31g(d).log.xz 000850410.mol 000850410.PUBCHEM 000850410.mol (via Jmol)
000850411.b3lyp_6-31g(d).inp

000850411.b3lyp_6-31g(d).qchem.inp (generated)

000850411.b3lyp_6-31g(d).gjf (generated)

000850411.b3lyp_6-31g(d).firefly.inp (generated)

000850411.b3lyp_6-31g(d).smash.inp (generated)

000850411.b3lyp_6-31g(d).nwchem.inp (generated) 000850411.b3lyp_6-31g(d).log.xz 000850411.td-b3lyp_6-31g+(d).inp 000850411.td-b3lyp_6-31g+(d).log.xz

000850411.td-b3lyp_6-31+g(d).qchem.inp (generated)

000850411.td-b3lyp_6-31+g(d).gjf (generated)

000850411.td-b3lyp_6-31+g(d).firefly.inp (generated)

000850411.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000850411.mol 000850411.PUBCHEM 000850411.mol (via Jmol)
000850435.b3lyp_6-31g(d).inp

000850435.b3lyp_6-31g(d).qchem.inp (generated)

000850435.b3lyp_6-31g(d).gjf (generated)

000850435.b3lyp_6-31g(d).firefly.inp (generated)

000850435.b3lyp_6-31g(d).smash.inp (generated)

000850435.b3lyp_6-31g(d).nwchem.inp (generated) 000850435.b3lyp_6-31g(d).log.xz 000850435.td-b3lyp_6-31g+(d).inp 000850435.td-b3lyp_6-31g+(d).log.xz

000850435.td-b3lyp_6-31+g(d).qchem.inp (generated)

000850435.td-b3lyp_6-31+g(d).gjf (generated)

000850435.td-b3lyp_6-31+g(d).firefly.inp (generated)

000850435.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000850435.mol 000850435.PUBCHEM 000850435.mol (via Jmol)
000850436.b3lyp_6-31g(d).inp

000850436.b3lyp_6-31g(d).qchem.inp (generated)

000850436.b3lyp_6-31g(d).gjf (generated)

000850436.b3lyp_6-31g(d).firefly.inp (generated)

000850436.b3lyp_6-31g(d).smash.inp (generated)

000850436.b3lyp_6-31g(d).nwchem.inp (generated) 000850436.b3lyp_6-31g(d).log.xz 000850436.td-b3lyp_6-31g+(d).inp 000850436.td-b3lyp_6-31g+(d).log.xz

000850436.td-b3lyp_6-31+g(d).qchem.inp (generated)

000850436.td-b3lyp_6-31+g(d).gjf (generated)

000850436.td-b3lyp_6-31+g(d).firefly.inp (generated)

000850436.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000850436.mol 000850436.PUBCHEM 000850436.mol (via Jmol)
000850450.b3lyp_6-31g(d).inp

000850450.b3lyp_6-31g(d).qchem.inp (generated)

000850450.b3lyp_6-31g(d).gjf (generated)

000850450.b3lyp_6-31g(d).firefly.inp (generated)

000850450.b3lyp_6-31g(d).smash.inp (generated)

000850450.b3lyp_6-31g(d).nwchem.inp (generated) 000850450.b3lyp_6-31g(d).log.xz 000850450.td-b3lyp_6-31g+(d).inp 000850450.td-b3lyp_6-31g+(d).log.xz

000850450.td-b3lyp_6-31+g(d).qchem.inp (generated)

000850450.td-b3lyp_6-31+g(d).gjf (generated)

000850450.td-b3lyp_6-31+g(d).firefly.inp (generated)

000850450.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000850450.mol 000850450.PUBCHEM 000850450.mol (via Jmol)
000850507.b3lyp_6-31g(d).inp

000850507.b3lyp_6-31g(d).qchem.inp (generated)

000850507.b3lyp_6-31g(d).gjf (generated)

000850507.b3lyp_6-31g(d).firefly.inp (generated)

000850507.b3lyp_6-31g(d).smash.inp (generated)

000850507.b3lyp_6-31g(d).nwchem.inp (generated) 000850507.b3lyp_6-31g(d).log.xz 000850507.mol 000850507.PUBCHEM 000850507.mol (via Jmol)
000850511.b3lyp_6-31g(d).inp

000850511.b3lyp_6-31g(d).qchem.inp (generated)

000850511.b3lyp_6-31g(d).gjf (generated)

000850511.b3lyp_6-31g(d).firefly.inp (generated)

000850511.b3lyp_6-31g(d).smash.inp (generated)

000850511.b3lyp_6-31g(d).nwchem.inp (generated) 000850511.b3lyp_6-31g(d).log.xz 000850511.mol 000850511.PUBCHEM 000850511.mol (via Jmol)
000850512.b3lyp_6-31g(d).inp

000850512.b3lyp_6-31g(d).qchem.inp (generated)

000850512.b3lyp_6-31g(d).gjf (generated)

000850512.b3lyp_6-31g(d).firefly.inp (generated)

000850512.b3lyp_6-31g(d).smash.inp (generated)

000850512.b3lyp_6-31g(d).nwchem.inp (generated) 000850512.b3lyp_6-31g(d).log.xz 000850512.td-b3lyp_6-31g+(d).inp 000850512.td-b3lyp_6-31g+(d).log.xz

000850512.td-b3lyp_6-31+g(d).qchem.inp (generated)

000850512.td-b3lyp_6-31+g(d).gjf (generated)

000850512.td-b3lyp_6-31+g(d).firefly.inp (generated)

000850512.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000850512.mol 000850512.PUBCHEM 000850512.mol (via Jmol)
000850519.b3lyp_6-31g(d).inp

000850519.b3lyp_6-31g(d).qchem.inp (generated)

000850519.b3lyp_6-31g(d).gjf (generated)

000850519.b3lyp_6-31g(d).firefly.inp (generated)

000850519.b3lyp_6-31g(d).smash.inp (generated)

000850519.b3lyp_6-31g(d).nwchem.inp (generated) 000850519.b3lyp_6-31g(d).log.xz 000850519.mol 000850519.PUBCHEM 000850519.mol (via Jmol)
000850522.b3lyp_6-31g(d).inp

000850522.b3lyp_6-31g(d).qchem.inp (generated)

000850522.b3lyp_6-31g(d).gjf (generated)

000850522.b3lyp_6-31g(d).firefly.inp (generated)

000850522.b3lyp_6-31g(d).smash.inp (generated)

000850522.b3lyp_6-31g(d).nwchem.inp (generated) 000850522.b3lyp_6-31g(d).log.xz 000850522.td-b3lyp_6-31g+(d).inp 000850522.td-b3lyp_6-31g+(d).log.xz

000850522.td-b3lyp_6-31+g(d).qchem.inp (generated)

000850522.td-b3lyp_6-31+g(d).gjf (generated)

000850522.td-b3lyp_6-31+g(d).firefly.inp (generated)

000850522.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000850522.mol 000850522.PUBCHEM 000850522.mol (via Jmol)
000850526.b3lyp_6-31g(d).inp

000850526.b3lyp_6-31g(d).qchem.inp (generated)

000850526.b3lyp_6-31g(d).gjf (generated)

000850526.b3lyp_6-31g(d).firefly.inp (generated)

000850526.b3lyp_6-31g(d).smash.inp (generated)

000850526.b3lyp_6-31g(d).nwchem.inp (generated) 000850526.b3lyp_6-31g(d).log.xz 000850526.td-b3lyp_6-31g+(d).inp 000850526.td-b3lyp_6-31g+(d).log.xz

000850526.td-b3lyp_6-31+g(d).qchem.inp (generated)

000850526.td-b3lyp_6-31+g(d).gjf (generated)

000850526.td-b3lyp_6-31+g(d).firefly.inp (generated)

000850526.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000850526.mol 000850526.PUBCHEM 000850526.mol (via Jmol)
000850787.b3lyp_6-31g(d).inp

000850787.b3lyp_6-31g(d).qchem.inp (generated)

000850787.b3lyp_6-31g(d).gjf (generated)

000850787.b3lyp_6-31g(d).firefly.inp (generated)

000850787.b3lyp_6-31g(d).smash.inp (generated)

000850787.b3lyp_6-31g(d).nwchem.inp (generated) 000850787.b3lyp_6-31g(d).log.xz 000850787.td-b3lyp_6-31g+(d).inp 000850787.td-b3lyp_6-31g+(d).log.xz

000850787.td-b3lyp_6-31+g(d).qchem.inp (generated)

000850787.td-b3lyp_6-31+g(d).gjf (generated)

000850787.td-b3lyp_6-31+g(d).firefly.inp (generated)

000850787.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000850787.mol 000850787.PUBCHEM 000850787.mol (via Jmol)
000850805.b3lyp_6-31g(d).inp

000850805.b3lyp_6-31g(d).qchem.inp (generated)

000850805.b3lyp_6-31g(d).gjf (generated)

000850805.b3lyp_6-31g(d).firefly.inp (generated)

000850805.b3lyp_6-31g(d).smash.inp (generated)

000850805.b3lyp_6-31g(d).nwchem.inp (generated) 000850805.b3lyp_6-31g(d).log.xz 000850805.td-b3lyp_6-31g+(d).inp 000850805.td-b3lyp_6-31g+(d).log.xz

000850805.td-b3lyp_6-31+g(d).qchem.inp (generated)

000850805.td-b3lyp_6-31+g(d).gjf (generated)

000850805.td-b3lyp_6-31+g(d).firefly.inp (generated)

000850805.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000850805.mol 000850805.PUBCHEM 000850805.mol (via Jmol)
000850826.b3lyp_6-31g(d).inp

000850826.b3lyp_6-31g(d).qchem.inp (generated)

000850826.b3lyp_6-31g(d).gjf (generated)

000850826.b3lyp_6-31g(d).firefly.inp (generated)

000850826.b3lyp_6-31g(d).smash.inp (generated)

000850826.b3lyp_6-31g(d).nwchem.inp (generated) 000850826.b3lyp_6-31g(d).log.xz 000850826.td-b3lyp_6-31g+(d).inp 000850826.td-b3lyp_6-31g+(d).log.xz

000850826.td-b3lyp_6-31+g(d).qchem.inp (generated)

000850826.td-b3lyp_6-31+g(d).gjf (generated)

000850826.td-b3lyp_6-31+g(d).firefly.inp (generated)

000850826.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000850826.mol 000850826.PUBCHEM 000850826.mol (via Jmol)
000850831.b3lyp_6-31g(d).inp

000850831.b3lyp_6-31g(d).qchem.inp (generated)

000850831.b3lyp_6-31g(d).gjf (generated)

000850831.b3lyp_6-31g(d).firefly.inp (generated)

000850831.b3lyp_6-31g(d).smash.inp (generated)

000850831.b3lyp_6-31g(d).nwchem.inp (generated) 000850831.b3lyp_6-31g(d).log.xz 000850831.td-b3lyp_6-31g+(d).inp 000850831.td-b3lyp_6-31g+(d).log.xz

000850831.td-b3lyp_6-31+g(d).qchem.inp (generated)

000850831.td-b3lyp_6-31+g(d).gjf (generated)

000850831.td-b3lyp_6-31+g(d).firefly.inp (generated)

000850831.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000850831.mol 000850831.PUBCHEM 000850831.mol (via Jmol)
000850832.b3lyp_6-31g(d).inp

000850832.b3lyp_6-31g(d).qchem.inp (generated)

000850832.b3lyp_6-31g(d).gjf (generated)

000850832.b3lyp_6-31g(d).firefly.inp (generated)

000850832.b3lyp_6-31g(d).smash.inp (generated)

000850832.b3lyp_6-31g(d).nwchem.inp (generated) 000850832.b3lyp_6-31g(d).log.xz 000850832.td-b3lyp_6-31g+(d).inp 000850832.td-b3lyp_6-31g+(d).log.xz

000850832.td-b3lyp_6-31+g(d).qchem.inp (generated)

000850832.td-b3lyp_6-31+g(d).gjf (generated)

000850832.td-b3lyp_6-31+g(d).firefly.inp (generated)

000850832.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000850832.mol 000850832.PUBCHEM 000850832.mol (via Jmol)
000850833.b3lyp_6-31g(d).inp

000850833.b3lyp_6-31g(d).qchem.inp (generated)

000850833.b3lyp_6-31g(d).gjf (generated)

000850833.b3lyp_6-31g(d).firefly.inp (generated)

000850833.b3lyp_6-31g(d).smash.inp (generated)

000850833.b3lyp_6-31g(d).nwchem.inp (generated) 000850833.b3lyp_6-31g(d).log.xz 000850833.td-b3lyp_6-31g+(d).inp 000850833.td-b3lyp_6-31g+(d).log.xz

000850833.td-b3lyp_6-31+g(d).qchem.inp (generated)

000850833.td-b3lyp_6-31+g(d).gjf (generated)

000850833.td-b3lyp_6-31+g(d).firefly.inp (generated)

000850833.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000850833.mol 000850833.PUBCHEM 000850833.mol (via Jmol)
000850839.b3lyp_6-31g(d).inp

000850839.b3lyp_6-31g(d).qchem.inp (generated)

000850839.b3lyp_6-31g(d).gjf (generated)

000850839.b3lyp_6-31g(d).firefly.inp (generated)

000850839.b3lyp_6-31g(d).smash.inp (generated)

000850839.b3lyp_6-31g(d).nwchem.inp (generated) 000850839.b3lyp_6-31g(d).log.xz 000850839.td-b3lyp_6-31g+(d).inp 000850839.td-b3lyp_6-31g+(d).log.xz

000850839.td-b3lyp_6-31+g(d).qchem.inp (generated)

000850839.td-b3lyp_6-31+g(d).gjf (generated)

000850839.td-b3lyp_6-31+g(d).firefly.inp (generated)

000850839.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000850839.mol 000850839.PUBCHEM 000850839.mol (via Jmol)
000850864.b3lyp_6-31g(d).inp

000850864.b3lyp_6-31g(d).qchem.inp (generated)

000850864.b3lyp_6-31g(d).gjf (generated)

000850864.b3lyp_6-31g(d).firefly.inp (generated)

000850864.b3lyp_6-31g(d).smash.inp (generated)

000850864.b3lyp_6-31g(d).nwchem.inp (generated) 000850864.b3lyp_6-31g(d).log.xz 000850864.mol 000850864.PUBCHEM 000850864.mol (via Jmol)
000850894.b3lyp_6-31g(d).inp

000850894.b3lyp_6-31g(d).qchem.inp (generated)

000850894.b3lyp_6-31g(d).gjf (generated)

000850894.b3lyp_6-31g(d).firefly.inp (generated)

000850894.b3lyp_6-31g(d).smash.inp (generated)

000850894.b3lyp_6-31g(d).nwchem.inp (generated) 000850894.b3lyp_6-31g(d).log.xz 000850894.td-b3lyp_6-31g+(d).inp 000850894.td-b3lyp_6-31g+(d).log.xz

000850894.td-b3lyp_6-31+g(d).qchem.inp (generated)

000850894.td-b3lyp_6-31+g(d).gjf (generated)

000850894.td-b3lyp_6-31+g(d).firefly.inp (generated)

000850894.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000850894.mol 000850894.PUBCHEM 000850894.mol (via Jmol)
000850918.b3lyp_6-31g(d).inp

000850918.b3lyp_6-31g(d).qchem.inp (generated)

000850918.b3lyp_6-31g(d).gjf (generated)

000850918.b3lyp_6-31g(d).firefly.inp (generated)

000850918.b3lyp_6-31g(d).smash.inp (generated)

000850918.b3lyp_6-31g(d).nwchem.inp (generated) 000850918.b3lyp_6-31g(d).log.xz 000850918.td-b3lyp_6-31g+(d).inp 000850918.td-b3lyp_6-31g+(d).log.xz

000850918.td-b3lyp_6-31+g(d).qchem.inp (generated)

000850918.td-b3lyp_6-31+g(d).gjf (generated)

000850918.td-b3lyp_6-31+g(d).firefly.inp (generated)

000850918.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000850918.mol 000850918.PUBCHEM 000850918.mol (via Jmol)
000850919.b3lyp_6-31g(d).inp

000850919.b3lyp_6-31g(d).qchem.inp (generated)

000850919.b3lyp_6-31g(d).gjf (generated)

000850919.b3lyp_6-31g(d).firefly.inp (generated)

000850919.b3lyp_6-31g(d).smash.inp (generated)

000850919.b3lyp_6-31g(d).nwchem.inp (generated) 000850919.b3lyp_6-31g(d).log.xz 000850919.td-b3lyp_6-31g+(d).inp 000850919.td-b3lyp_6-31g+(d).log.xz

000850919.td-b3lyp_6-31+g(d).qchem.inp (generated)

000850919.td-b3lyp_6-31+g(d).gjf (generated)

000850919.td-b3lyp_6-31+g(d).firefly.inp (generated)

000850919.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000850919.mol 000850919.PUBCHEM 000850919.mol (via Jmol)
000850930.b3lyp_6-31g(d).inp

000850930.b3lyp_6-31g(d).qchem.inp (generated)

000850930.b3lyp_6-31g(d).gjf (generated)

000850930.b3lyp_6-31g(d).firefly.inp (generated)

000850930.b3lyp_6-31g(d).smash.inp (generated)

000850930.b3lyp_6-31g(d).nwchem.inp (generated) 000850930.b3lyp_6-31g(d).log.xz 000850930.td-b3lyp_6-31g+(d).inp 000850930.td-b3lyp_6-31g+(d).log.xz

000850930.td-b3lyp_6-31+g(d).qchem.inp (generated)

000850930.td-b3lyp_6-31+g(d).gjf (generated)

000850930.td-b3lyp_6-31+g(d).firefly.inp (generated)

000850930.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000850930.mol 000850930.PUBCHEM 000850930.mol (via Jmol)
000850943.b3lyp_6-31g(d).inp

000850943.b3lyp_6-31g(d).qchem.inp (generated)

000850943.b3lyp_6-31g(d).gjf (generated)

000850943.b3lyp_6-31g(d).firefly.inp (generated)

000850943.b3lyp_6-31g(d).smash.inp (generated)

000850943.b3lyp_6-31g(d).nwchem.inp (generated) 000850943.b3lyp_6-31g(d).log.xz 000850943.td-b3lyp_6-31g+(d).inp 000850943.td-b3lyp_6-31g+(d).log.xz

000850943.td-b3lyp_6-31+g(d).qchem.inp (generated)

000850943.td-b3lyp_6-31+g(d).gjf (generated)

000850943.td-b3lyp_6-31+g(d).firefly.inp (generated)

000850943.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000850943.mol 000850943.PUBCHEM 000850943.mol (via Jmol)
000850962.b3lyp_6-31g(d).inp

000850962.b3lyp_6-31g(d).qchem.inp (generated)

000850962.b3lyp_6-31g(d).gjf (generated)

000850962.b3lyp_6-31g(d).firefly.inp (generated)

000850962.b3lyp_6-31g(d).smash.inp (generated)

000850962.b3lyp_6-31g(d).nwchem.inp (generated) 000850962.b3lyp_6-31g(d).log.xz 000850962.td-b3lyp_6-31g+(d).inp 000850962.td-b3lyp_6-31g+(d).log.xz

000850962.td-b3lyp_6-31+g(d).qchem.inp (generated)

000850962.td-b3lyp_6-31+g(d).gjf (generated)

000850962.td-b3lyp_6-31+g(d).firefly.inp (generated)

000850962.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000850962.mol 000850962.PUBCHEM 000850962.mol (via Jmol)
000850964.b3lyp_6-31g(d).inp

000850964.b3lyp_6-31g(d).qchem.inp (generated)

000850964.b3lyp_6-31g(d).gjf (generated)

000850964.b3lyp_6-31g(d).firefly.inp (generated)

000850964.b3lyp_6-31g(d).smash.inp (generated)

000850964.b3lyp_6-31g(d).nwchem.inp (generated) 000850964.b3lyp_6-31g(d).log.xz 000850964.td-b3lyp_6-31g+(d).inp 000850964.td-b3lyp_6-31g+(d).log.xz

000850964.td-b3lyp_6-31+g(d).qchem.inp (generated)

000850964.td-b3lyp_6-31+g(d).gjf (generated)

000850964.td-b3lyp_6-31+g(d).firefly.inp (generated)

000850964.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000850964.mol 000850964.PUBCHEM 000850964.mol (via Jmol)
000850972.b3lyp_6-31g(d).inp

000850972.b3lyp_6-31g(d).qchem.inp (generated)

000850972.b3lyp_6-31g(d).gjf (generated)

000850972.b3lyp_6-31g(d).firefly.inp (generated)

000850972.b3lyp_6-31g(d).smash.inp (generated)

000850972.b3lyp_6-31g(d).nwchem.inp (generated) 000850972.b3lyp_6-31g(d).log.xz 000850972.td-b3lyp_6-31g+(d).inp 000850972.td-b3lyp_6-31g+(d).log.xz

000850972.td-b3lyp_6-31+g(d).qchem.inp (generated)

000850972.td-b3lyp_6-31+g(d).gjf (generated)

000850972.td-b3lyp_6-31+g(d).firefly.inp (generated)

000850972.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000850972.mol 000850972.PUBCHEM 000850972.mol (via Jmol)
000850981.b3lyp_6-31g(d).inp

000850981.b3lyp_6-31g(d).qchem.inp (generated)

000850981.b3lyp_6-31g(d).gjf (generated)

000850981.b3lyp_6-31g(d).firefly.inp (generated)

000850981.b3lyp_6-31g(d).smash.inp (generated)

000850981.b3lyp_6-31g(d).nwchem.inp (generated) 000850981.b3lyp_6-31g(d).log.xz 000850981.td-b3lyp_6-31g+(d).inp 000850981.td-b3lyp_6-31g+(d).log.xz

000850981.td-b3lyp_6-31+g(d).qchem.inp (generated)

000850981.td-b3lyp_6-31+g(d).gjf (generated)

000850981.td-b3lyp_6-31+g(d).firefly.inp (generated)

000850981.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000850981.mol 000850981.PUBCHEM 000850981.mol (via Jmol)
000850982.b3lyp_6-31g(d).inp

000850982.b3lyp_6-31g(d).qchem.inp (generated)

000850982.b3lyp_6-31g(d).gjf (generated)

000850982.b3lyp_6-31g(d).firefly.inp (generated)

000850982.b3lyp_6-31g(d).smash.inp (generated)

000850982.b3lyp_6-31g(d).nwchem.inp (generated) 000850982.b3lyp_6-31g(d).log.xz 000850982.td-b3lyp_6-31g+(d).inp 000850982.td-b3lyp_6-31g+(d).log.xz

000850982.td-b3lyp_6-31+g(d).qchem.inp (generated)

000850982.td-b3lyp_6-31+g(d).gjf (generated)

000850982.td-b3lyp_6-31+g(d).firefly.inp (generated)

000850982.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000850982.mol 000850982.PUBCHEM 000850982.mol (via Jmol)
000850993.b3lyp_6-31g(d).inp

000850993.b3lyp_6-31g(d).qchem.inp (generated)

000850993.b3lyp_6-31g(d).gjf (generated)

000850993.b3lyp_6-31g(d).firefly.inp (generated)

000850993.b3lyp_6-31g(d).smash.inp (generated)

000850993.b3lyp_6-31g(d).nwchem.inp (generated) 000850993.b3lyp_6-31g(d).log.xz 000850993.td-b3lyp_6-31g+(d).inp 000850993.td-b3lyp_6-31g+(d).log.xz

000850993.td-b3lyp_6-31+g(d).qchem.inp (generated)

000850993.td-b3lyp_6-31+g(d).gjf (generated)

000850993.td-b3lyp_6-31+g(d).firefly.inp (generated)

000850993.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000850993.mol 000850993.PUBCHEM 000850993.mol (via Jmol)
000850994.b3lyp_6-31g(d).inp

000850994.b3lyp_6-31g(d).qchem.inp (generated)

000850994.b3lyp_6-31g(d).gjf (generated)

000850994.b3lyp_6-31g(d).firefly.inp (generated)

000850994.b3lyp_6-31g(d).smash.inp (generated)

000850994.b3lyp_6-31g(d).nwchem.inp (generated) 000850994.b3lyp_6-31g(d).log.xz 000850994.mol 000850994.PUBCHEM 000850994.mol (via Jmol)
000850995.b3lyp_6-31g(d).inp

000850995.b3lyp_6-31g(d).qchem.inp (generated)

000850995.b3lyp_6-31g(d).gjf (generated)

000850995.b3lyp_6-31g(d).firefly.inp (generated)

000850995.b3lyp_6-31g(d).smash.inp (generated)

000850995.b3lyp_6-31g(d).nwchem.inp (generated) 000850995.b3lyp_6-31g(d).log.xz 000850995.td-b3lyp_6-31g+(d).inp 000850995.td-b3lyp_6-31g+(d).log.xz

000850995.td-b3lyp_6-31+g(d).qchem.inp (generated)

000850995.td-b3lyp_6-31+g(d).gjf (generated)

000850995.td-b3lyp_6-31+g(d).firefly.inp (generated)

000850995.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000850995.mol 000850995.PUBCHEM 000850995.mol (via Jmol)
000850996.b3lyp_6-31g(d).inp

000850996.b3lyp_6-31g(d).qchem.inp (generated)

000850996.b3lyp_6-31g(d).gjf (generated)

000850996.b3lyp_6-31g(d).firefly.inp (generated)

000850996.b3lyp_6-31g(d).smash.inp (generated)

000850996.b3lyp_6-31g(d).nwchem.inp (generated) 000850996.b3lyp_6-31g(d).log.xz 000850996.td-b3lyp_6-31g+(d).inp 000850996.td-b3lyp_6-31g+(d).log.xz

000850996.td-b3lyp_6-31+g(d).qchem.inp (generated)

000850996.td-b3lyp_6-31+g(d).gjf (generated)

000850996.td-b3lyp_6-31+g(d).firefly.inp (generated)

000850996.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000850996.mol 000850996.PUBCHEM 000850996.mol (via Jmol)
000850997.b3lyp_6-31g(d).inp

000850997.b3lyp_6-31g(d).qchem.inp (generated)

000850997.b3lyp_6-31g(d).gjf (generated)

000850997.b3lyp_6-31g(d).firefly.inp (generated)

000850997.b3lyp_6-31g(d).smash.inp (generated)

000850997.b3lyp_6-31g(d).nwchem.inp (generated) 000850997.b3lyp_6-31g(d).log.xz 000850997.td-b3lyp_6-31g+(d).inp 000850997.td-b3lyp_6-31g+(d).log.xz

000850997.td-b3lyp_6-31+g(d).qchem.inp (generated)

000850997.td-b3lyp_6-31+g(d).gjf (generated)

000850997.td-b3lyp_6-31+g(d).firefly.inp (generated)

000850997.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000850997.mol 000850997.PUBCHEM 000850997.mol (via Jmol)
000850999.b3lyp_6-31g(d).inp

000850999.b3lyp_6-31g(d).qchem.inp (generated)

000850999.b3lyp_6-31g(d).gjf (generated)

000850999.b3lyp_6-31g(d).firefly.inp (generated)

000850999.b3lyp_6-31g(d).smash.inp (generated)

000850999.b3lyp_6-31g(d).nwchem.inp (generated) 000850999.b3lyp_6-31g(d).log.xz 000850999.td-b3lyp_6-31g+(d).inp 000850999.td-b3lyp_6-31g+(d).log.xz

000850999.td-b3lyp_6-31+g(d).qchem.inp (generated)

000850999.td-b3lyp_6-31+g(d).gjf (generated)

000850999.td-b3lyp_6-31+g(d).firefly.inp (generated)

000850999.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000850999.mol 000850999.PUBCHEM 000850999.mol (via Jmol)
000851000.b3lyp_6-31g(d).inp

000851000.b3lyp_6-31g(d).qchem.inp (generated)

000851000.b3lyp_6-31g(d).gjf (generated)

000851000.b3lyp_6-31g(d).firefly.inp (generated)

000851000.b3lyp_6-31g(d).smash.inp (generated)

000851000.b3lyp_6-31g(d).nwchem.inp (generated) 000851000.b3lyp_6-31g(d).log.xz 000851000.td-b3lyp_6-31g+(d).inp 000851000.td-b3lyp_6-31g+(d).log.xz

000851000.td-b3lyp_6-31+g(d).qchem.inp (generated)

000851000.td-b3lyp_6-31+g(d).gjf (generated)

000851000.td-b3lyp_6-31+g(d).firefly.inp (generated)

000851000.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000851000.mol 000851000.PUBCHEM 000851000.mol (via Jmol)
000851002.b3lyp_6-31g(d).inp

000851002.b3lyp_6-31g(d).qchem.inp (generated)

000851002.b3lyp_6-31g(d).gjf (generated)

000851002.b3lyp_6-31g(d).firefly.inp (generated)

000851002.b3lyp_6-31g(d).smash.inp (generated)

000851002.b3lyp_6-31g(d).nwchem.inp (generated) 000851002.b3lyp_6-31g(d).log.xz 000851002.td-b3lyp_6-31g+(d).inp 000851002.td-b3lyp_6-31g+(d).log.xz

000851002.td-b3lyp_6-31+g(d).qchem.inp (generated)

000851002.td-b3lyp_6-31+g(d).gjf (generated)

000851002.td-b3lyp_6-31+g(d).firefly.inp (generated)

000851002.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000851002.mol 000851002.PUBCHEM 000851002.mol (via Jmol)
000851007.b3lyp_6-31g(d).inp

000851007.b3lyp_6-31g(d).qchem.inp (generated)

000851007.b3lyp_6-31g(d).gjf (generated)

000851007.b3lyp_6-31g(d).firefly.inp (generated)

000851007.b3lyp_6-31g(d).smash.inp (generated)

000851007.b3lyp_6-31g(d).nwchem.inp (generated) 000851007.b3lyp_6-31g(d).log.xz 000851007.mol 000851007.PUBCHEM 000851007.mol (via Jmol)
000851013.b3lyp_6-31g(d).inp

000851013.b3lyp_6-31g(d).qchem.inp (generated)

000851013.b3lyp_6-31g(d).gjf (generated)

000851013.b3lyp_6-31g(d).firefly.inp (generated)

000851013.b3lyp_6-31g(d).smash.inp (generated)

000851013.b3lyp_6-31g(d).nwchem.inp (generated) 000851013.b3lyp_6-31g(d).log.xz 000851013.td-b3lyp_6-31g+(d).inp 000851013.td-b3lyp_6-31g+(d).log.xz

000851013.td-b3lyp_6-31+g(d).qchem.inp (generated)

000851013.td-b3lyp_6-31+g(d).gjf (generated)

000851013.td-b3lyp_6-31+g(d).firefly.inp (generated)

000851013.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000851013.mol 000851013.PUBCHEM 000851013.mol (via Jmol)
000851019.b3lyp_6-31g(d).inp

000851019.b3lyp_6-31g(d).qchem.inp (generated)

000851019.b3lyp_6-31g(d).gjf (generated)

000851019.b3lyp_6-31g(d).firefly.inp (generated)

000851019.b3lyp_6-31g(d).smash.inp (generated)

000851019.b3lyp_6-31g(d).nwchem.inp (generated) 000851019.b3lyp_6-31g(d).log.xz 000851019.td-b3lyp_6-31g+(d).inp 000851019.td-b3lyp_6-31g+(d).log.xz

000851019.td-b3lyp_6-31+g(d).qchem.inp (generated)

000851019.td-b3lyp_6-31+g(d).gjf (generated)

000851019.td-b3lyp_6-31+g(d).firefly.inp (generated)

000851019.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000851019.mol 000851019.PUBCHEM 000851019.mol (via Jmol)
000851066.b3lyp_6-31g(d).inp

000851066.b3lyp_6-31g(d).qchem.inp (generated)

000851066.b3lyp_6-31g(d).gjf (generated)

000851066.b3lyp_6-31g(d).firefly.inp (generated)

000851066.b3lyp_6-31g(d).smash.inp (generated)

000851066.b3lyp_6-31g(d).nwchem.inp (generated) 000851066.b3lyp_6-31g(d).log.xz 000851066.mol 000851066.PUBCHEM 000851066.mol (via Jmol)
000851069.b3lyp_6-31g(d).inp

000851069.b3lyp_6-31g(d).qchem.inp (generated)

000851069.b3lyp_6-31g(d).gjf (generated)

000851069.b3lyp_6-31g(d).firefly.inp (generated)

000851069.b3lyp_6-31g(d).smash.inp (generated)

000851069.b3lyp_6-31g(d).nwchem.inp (generated) 000851069.b3lyp_6-31g(d).log.xz 000851069.td-b3lyp_6-31g+(d).inp 000851069.td-b3lyp_6-31g+(d).log.xz

000851069.td-b3lyp_6-31+g(d).qchem.inp (generated)

000851069.td-b3lyp_6-31+g(d).gjf (generated)

000851069.td-b3lyp_6-31+g(d).firefly.inp (generated)

000851069.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000851069.mol 000851069.PUBCHEM 000851069.mol (via Jmol)
000851073.b3lyp_6-31g(d).inp

000851073.b3lyp_6-31g(d).qchem.inp (generated)

000851073.b3lyp_6-31g(d).gjf (generated)

000851073.b3lyp_6-31g(d).firefly.inp (generated)

000851073.b3lyp_6-31g(d).smash.inp (generated)

000851073.b3lyp_6-31g(d).nwchem.inp (generated) 000851073.b3lyp_6-31g(d).log.xz 000851073.td-b3lyp_6-31g+(d).inp 000851073.td-b3lyp_6-31g+(d).log.xz

000851073.td-b3lyp_6-31+g(d).qchem.inp (generated)

000851073.td-b3lyp_6-31+g(d).gjf (generated)

000851073.td-b3lyp_6-31+g(d).firefly.inp (generated)

000851073.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000851073.mol 000851073.PUBCHEM 000851073.mol (via Jmol)
000851074.b3lyp_6-31g(d).inp

000851074.b3lyp_6-31g(d).qchem.inp (generated)

000851074.b3lyp_6-31g(d).gjf (generated)

000851074.b3lyp_6-31g(d).firefly.inp (generated)

000851074.b3lyp_6-31g(d).smash.inp (generated)

000851074.b3lyp_6-31g(d).nwchem.inp (generated) 000851074.b3lyp_6-31g(d).log.xz 000851074.td-b3lyp_6-31g+(d).inp 000851074.td-b3lyp_6-31g+(d).log.xz

000851074.td-b3lyp_6-31+g(d).qchem.inp (generated)

000851074.td-b3lyp_6-31+g(d).gjf (generated)

000851074.td-b3lyp_6-31+g(d).firefly.inp (generated)

000851074.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000851074.mol 000851074.PUBCHEM 000851074.mol (via Jmol)
000851075.b3lyp_6-31g(d).inp

000851075.b3lyp_6-31g(d).qchem.inp (generated)

000851075.b3lyp_6-31g(d).gjf (generated)

000851075.b3lyp_6-31g(d).firefly.inp (generated)

000851075.b3lyp_6-31g(d).smash.inp (generated)

000851075.b3lyp_6-31g(d).nwchem.inp (generated) 000851075.b3lyp_6-31g(d).log.xz 000851075.td-b3lyp_6-31g+(d).inp 000851075.td-b3lyp_6-31g+(d).log.xz

000851075.td-b3lyp_6-31+g(d).qchem.inp (generated)

000851075.td-b3lyp_6-31+g(d).gjf (generated)

000851075.td-b3lyp_6-31+g(d).firefly.inp (generated)

000851075.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000851075.mol 000851075.PUBCHEM 000851075.mol (via Jmol)
000851076.b3lyp_6-31g(d).inp

000851076.b3lyp_6-31g(d).qchem.inp (generated)

000851076.b3lyp_6-31g(d).gjf (generated)

000851076.b3lyp_6-31g(d).firefly.inp (generated)

000851076.b3lyp_6-31g(d).smash.inp (generated)

000851076.b3lyp_6-31g(d).nwchem.inp (generated) 000851076.b3lyp_6-31g(d).log.xz 000851076.td-b3lyp_6-31g+(d).inp 000851076.td-b3lyp_6-31g+(d).log.xz

000851076.td-b3lyp_6-31+g(d).qchem.inp (generated)

000851076.td-b3lyp_6-31+g(d).gjf (generated)

000851076.td-b3lyp_6-31+g(d).firefly.inp (generated)

000851076.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000851076.mol 000851076.PUBCHEM 000851076.mol (via Jmol)
000851082.b3lyp_6-31g(d).inp

000851082.b3lyp_6-31g(d).qchem.inp (generated)

000851082.b3lyp_6-31g(d).gjf (generated)

000851082.b3lyp_6-31g(d).firefly.inp (generated)

000851082.b3lyp_6-31g(d).smash.inp (generated)

000851082.b3lyp_6-31g(d).nwchem.inp (generated) 000851082.b3lyp_6-31g(d).log.xz 000851082.mol 000851082.PUBCHEM 000851082.mol (via Jmol)
000851086.b3lyp_6-31g(d).inp

000851086.b3lyp_6-31g(d).qchem.inp (generated)

000851086.b3lyp_6-31g(d).gjf (generated)

000851086.b3lyp_6-31g(d).firefly.inp (generated)

000851086.b3lyp_6-31g(d).smash.inp (generated)

000851086.b3lyp_6-31g(d).nwchem.inp (generated) 000851086.b3lyp_6-31g(d).log.xz 000851086.td-b3lyp_6-31g+(d).inp 000851086.td-b3lyp_6-31g+(d).log.xz

000851086.td-b3lyp_6-31+g(d).qchem.inp (generated)

000851086.td-b3lyp_6-31+g(d).gjf (generated)

000851086.td-b3lyp_6-31+g(d).firefly.inp (generated)

000851086.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000851086.mol 000851086.PUBCHEM 000851086.mol (via Jmol)
000851087.b3lyp_6-31g(d).inp

000851087.b3lyp_6-31g(d).qchem.inp (generated)

000851087.b3lyp_6-31g(d).gjf (generated)

000851087.b3lyp_6-31g(d).firefly.inp (generated)

000851087.b3lyp_6-31g(d).smash.inp (generated)

000851087.b3lyp_6-31g(d).nwchem.inp (generated) 000851087.b3lyp_6-31g(d).log.xz 000851087.td-b3lyp_6-31g+(d).inp 000851087.td-b3lyp_6-31g+(d).log.xz

000851087.td-b3lyp_6-31+g(d).qchem.inp (generated)

000851087.td-b3lyp_6-31+g(d).gjf (generated)

000851087.td-b3lyp_6-31+g(d).firefly.inp (generated)

000851087.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000851087.mol 000851087.PUBCHEM 000851087.mol (via Jmol)
000851091.b3lyp_6-31g(d).inp

000851091.b3lyp_6-31g(d).qchem.inp (generated)

000851091.b3lyp_6-31g(d).gjf (generated)

000851091.b3lyp_6-31g(d).firefly.inp (generated)

000851091.b3lyp_6-31g(d).smash.inp (generated)

000851091.b3lyp_6-31g(d).nwchem.inp (generated) 000851091.b3lyp_6-31g(d).log.xz 000851091.td-b3lyp_6-31g+(d).inp 000851091.td-b3lyp_6-31g+(d).log.xz

000851091.td-b3lyp_6-31+g(d).qchem.inp (generated)

000851091.td-b3lyp_6-31+g(d).gjf (generated)

000851091.td-b3lyp_6-31+g(d).firefly.inp (generated)

000851091.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000851091.mol 000851091.PUBCHEM 000851091.mol (via Jmol)
000851092.b3lyp_6-31g(d).inp

000851092.b3lyp_6-31g(d).qchem.inp (generated)

000851092.b3lyp_6-31g(d).gjf (generated)

000851092.b3lyp_6-31g(d).firefly.inp (generated)

000851092.b3lyp_6-31g(d).smash.inp (generated)

000851092.b3lyp_6-31g(d).nwchem.inp (generated) 000851092.b3lyp_6-31g(d).log.xz 000851092.td-b3lyp_6-31g+(d).inp 000851092.td-b3lyp_6-31g+(d).log.xz

000851092.td-b3lyp_6-31+g(d).qchem.inp (generated)

000851092.td-b3lyp_6-31+g(d).gjf (generated)

000851092.td-b3lyp_6-31+g(d).firefly.inp (generated)

000851092.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000851092.mol 000851092.PUBCHEM 000851092.mol (via Jmol)
000851095.b3lyp_6-31g(d).inp

000851095.b3lyp_6-31g(d).qchem.inp (generated)

000851095.b3lyp_6-31g(d).gjf (generated)

000851095.b3lyp_6-31g(d).firefly.inp (generated)

000851095.b3lyp_6-31g(d).smash.inp (generated)

000851095.b3lyp_6-31g(d).nwchem.inp (generated) 000851095.b3lyp_6-31g(d).log.xz 000851095.td-b3lyp_6-31g+(d).inp 000851095.td-b3lyp_6-31g+(d).log.xz

000851095.td-b3lyp_6-31+g(d).qchem.inp (generated)

000851095.td-b3lyp_6-31+g(d).gjf (generated)

000851095.td-b3lyp_6-31+g(d).firefly.inp (generated)

000851095.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000851095.mol 000851095.PUBCHEM 000851095.mol (via Jmol)
000851098.b3lyp_6-31g(d).inp

000851098.b3lyp_6-31g(d).qchem.inp (generated)

000851098.b3lyp_6-31g(d).gjf (generated)

000851098.b3lyp_6-31g(d).firefly.inp (generated)

000851098.b3lyp_6-31g(d).smash.inp (generated)

000851098.b3lyp_6-31g(d).nwchem.inp (generated) 000851098.b3lyp_6-31g(d).log.xz 000851098.td-b3lyp_6-31g+(d).inp 000851098.td-b3lyp_6-31g+(d).log.xz

000851098.td-b3lyp_6-31+g(d).qchem.inp (generated)

000851098.td-b3lyp_6-31+g(d).gjf (generated)

000851098.td-b3lyp_6-31+g(d).firefly.inp (generated)

000851098.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000851098.mol 000851098.PUBCHEM 000851098.mol (via Jmol)
000851113.b3lyp_6-31g(d).inp

000851113.b3lyp_6-31g(d).qchem.inp (generated)

000851113.b3lyp_6-31g(d).gjf (generated)

000851113.b3lyp_6-31g(d).firefly.inp (generated)

000851113.b3lyp_6-31g(d).smash.inp (generated)

000851113.b3lyp_6-31g(d).nwchem.inp (generated) 000851113.b3lyp_6-31g(d).log.xz 000851113.td-b3lyp_6-31g+(d).inp 000851113.td-b3lyp_6-31g+(d).log.xz

000851113.td-b3lyp_6-31+g(d).qchem.inp (generated)

000851113.td-b3lyp_6-31+g(d).gjf (generated)

000851113.td-b3lyp_6-31+g(d).firefly.inp (generated)

000851113.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000851113.mol 000851113.PUBCHEM 000851113.mol (via Jmol)
000851114.b3lyp_6-31g(d).inp

000851114.b3lyp_6-31g(d).qchem.inp (generated)

000851114.b3lyp_6-31g(d).gjf (generated)

000851114.b3lyp_6-31g(d).firefly.inp (generated)

000851114.b3lyp_6-31g(d).smash.inp (generated)

000851114.b3lyp_6-31g(d).nwchem.inp (generated) 000851114.b3lyp_6-31g(d).log.xz 000851114.td-b3lyp_6-31g+(d).inp 000851114.td-b3lyp_6-31g+(d).log.xz

000851114.td-b3lyp_6-31+g(d).qchem.inp (generated)

000851114.td-b3lyp_6-31+g(d).gjf (generated)

000851114.td-b3lyp_6-31+g(d).firefly.inp (generated)

000851114.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000851114.mol 000851114.PUBCHEM 000851114.mol (via Jmol)
000851115.b3lyp_6-31g(d).inp

000851115.b3lyp_6-31g(d).qchem.inp (generated)

000851115.b3lyp_6-31g(d).gjf (generated)

000851115.b3lyp_6-31g(d).firefly.inp (generated)

000851115.b3lyp_6-31g(d).smash.inp (generated)

000851115.b3lyp_6-31g(d).nwchem.inp (generated) 000851115.b3lyp_6-31g(d).log.xz 000851115.td-b3lyp_6-31g+(d).inp 000851115.td-b3lyp_6-31g+(d).log.xz

000851115.td-b3lyp_6-31+g(d).qchem.inp (generated)

000851115.td-b3lyp_6-31+g(d).gjf (generated)

000851115.td-b3lyp_6-31+g(d).firefly.inp (generated)

000851115.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000851115.mol 000851115.PUBCHEM 000851115.mol (via Jmol)
000851116.b3lyp_6-31g(d).inp

000851116.b3lyp_6-31g(d).qchem.inp (generated)

000851116.b3lyp_6-31g(d).gjf (generated)

000851116.b3lyp_6-31g(d).firefly.inp (generated)

000851116.b3lyp_6-31g(d).smash.inp (generated)

000851116.b3lyp_6-31g(d).nwchem.inp (generated) 000851116.b3lyp_6-31g(d).log.xz 000851116.td-b3lyp_6-31g+(d).inp 000851116.td-b3lyp_6-31g+(d).log.xz

000851116.td-b3lyp_6-31+g(d).qchem.inp (generated)

000851116.td-b3lyp_6-31+g(d).gjf (generated)

000851116.td-b3lyp_6-31+g(d).firefly.inp (generated)

000851116.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000851116.mol 000851116.PUBCHEM 000851116.mol (via Jmol)
000851122.b3lyp_6-31g(d).inp

000851122.b3lyp_6-31g(d).qchem.inp (generated)

000851122.b3lyp_6-31g(d).gjf (generated)

000851122.b3lyp_6-31g(d).firefly.inp (generated)

000851122.b3lyp_6-31g(d).smash.inp (generated)

000851122.b3lyp_6-31g(d).nwchem.inp (generated) 000851122.b3lyp_6-31g(d).log.xz 000851122.td-b3lyp_6-31g+(d).inp 000851122.td-b3lyp_6-31g+(d).log.xz

000851122.td-b3lyp_6-31+g(d).qchem.inp (generated)

000851122.td-b3lyp_6-31+g(d).gjf (generated)

000851122.td-b3lyp_6-31+g(d).firefly.inp (generated)

000851122.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000851122.mol 000851122.PUBCHEM 000851122.mol (via Jmol)
000851123.b3lyp_6-31g(d).inp

000851123.b3lyp_6-31g(d).qchem.inp (generated)

000851123.b3lyp_6-31g(d).gjf (generated)

000851123.b3lyp_6-31g(d).firefly.inp (generated)

000851123.b3lyp_6-31g(d).smash.inp (generated)

000851123.b3lyp_6-31g(d).nwchem.inp (generated) 000851123.b3lyp_6-31g(d).log.xz 000851123.td-b3lyp_6-31g+(d).inp 000851123.td-b3lyp_6-31g+(d).log.xz

000851123.td-b3lyp_6-31+g(d).qchem.inp (generated)

000851123.td-b3lyp_6-31+g(d).gjf (generated)

000851123.td-b3lyp_6-31+g(d).firefly.inp (generated)

000851123.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000851123.mol 000851123.PUBCHEM 000851123.mol (via Jmol)
000851214.b3lyp_6-31g(d).inp

000851214.b3lyp_6-31g(d).qchem.inp (generated)

000851214.b3lyp_6-31g(d).gjf (generated)

000851214.b3lyp_6-31g(d).firefly.inp (generated)

000851214.b3lyp_6-31g(d).smash.inp (generated)

000851214.b3lyp_6-31g(d).nwchem.inp (generated) 000851214.b3lyp_6-31g(d).log.xz 000851214.td-b3lyp_6-31g+(d).inp 000851214.td-b3lyp_6-31g+(d).log.xz

000851214.td-b3lyp_6-31+g(d).qchem.inp (generated)

000851214.td-b3lyp_6-31+g(d).gjf (generated)

000851214.td-b3lyp_6-31+g(d).firefly.inp (generated)

000851214.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000851214.mol 000851214.PUBCHEM 000851214.mol (via Jmol)
000851234.b3lyp_6-31g(d).inp

000851234.b3lyp_6-31g(d).qchem.inp (generated)

000851234.b3lyp_6-31g(d).gjf (generated)

000851234.b3lyp_6-31g(d).firefly.inp (generated)

000851234.b3lyp_6-31g(d).smash.inp (generated)

000851234.b3lyp_6-31g(d).nwchem.inp (generated) 000851234.b3lyp_6-31g(d).log.xz 000851234.td-b3lyp_6-31g+(d).inp 000851234.td-b3lyp_6-31g+(d).log.xz

000851234.td-b3lyp_6-31+g(d).qchem.inp (generated)

000851234.td-b3lyp_6-31+g(d).gjf (generated)

000851234.td-b3lyp_6-31+g(d).firefly.inp (generated)

000851234.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000851234.mol 000851234.PUBCHEM 000851234.mol (via Jmol)
000851420.b3lyp_6-31g(d).inp

000851420.b3lyp_6-31g(d).qchem.inp (generated)

000851420.b3lyp_6-31g(d).gjf (generated)

000851420.b3lyp_6-31g(d).firefly.inp (generated)

000851420.b3lyp_6-31g(d).smash.inp (generated)

000851420.b3lyp_6-31g(d).nwchem.inp (generated) 000851420.b3lyp_6-31g(d).log.xz 000851420.mol 000851420.PUBCHEM 000851420.mol (via Jmol)
000851431.b3lyp_6-31g(d).inp

000851431.b3lyp_6-31g(d).qchem.inp (generated)

000851431.b3lyp_6-31g(d).gjf (generated)

000851431.b3lyp_6-31g(d).firefly.inp (generated)

000851431.b3lyp_6-31g(d).smash.inp (generated)

000851431.b3lyp_6-31g(d).nwchem.inp (generated) 000851431.b3lyp_6-31g(d).log.xz 000851431.td-b3lyp_6-31g+(d).inp 000851431.td-b3lyp_6-31g+(d).log.xz

000851431.td-b3lyp_6-31+g(d).qchem.inp (generated)

000851431.td-b3lyp_6-31+g(d).gjf (generated)

000851431.td-b3lyp_6-31+g(d).firefly.inp (generated)

000851431.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000851431.mol 000851431.PUBCHEM 000851431.mol (via Jmol)
000851438.b3lyp_6-31g(d).inp

000851438.b3lyp_6-31g(d).qchem.inp (generated)

000851438.b3lyp_6-31g(d).gjf (generated)

000851438.b3lyp_6-31g(d).firefly.inp (generated)

000851438.b3lyp_6-31g(d).smash.inp (generated)

000851438.b3lyp_6-31g(d).nwchem.inp (generated) 000851438.b3lyp_6-31g(d).log.xz 000851438.td-b3lyp_6-31g+(d).inp 000851438.td-b3lyp_6-31g+(d).log.xz

000851438.td-b3lyp_6-31+g(d).qchem.inp (generated)

000851438.td-b3lyp_6-31+g(d).gjf (generated)

000851438.td-b3lyp_6-31+g(d).firefly.inp (generated)

000851438.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000851438.mol 000851438.PUBCHEM 000851438.mol (via Jmol)
000851444.b3lyp_6-31g(d).inp

000851444.b3lyp_6-31g(d).qchem.inp (generated)

000851444.b3lyp_6-31g(d).gjf (generated)

000851444.b3lyp_6-31g(d).firefly.inp (generated)

000851444.b3lyp_6-31g(d).smash.inp (generated)

000851444.b3lyp_6-31g(d).nwchem.inp (generated) 000851444.b3lyp_6-31g(d).log.xz 000851444.mol 000851444.PUBCHEM 000851444.mol (via Jmol)
000851479.b3lyp_6-31g(d).inp

000851479.b3lyp_6-31g(d).qchem.inp (generated)

000851479.b3lyp_6-31g(d).gjf (generated)

000851479.b3lyp_6-31g(d).firefly.inp (generated)

000851479.b3lyp_6-31g(d).smash.inp (generated)

000851479.b3lyp_6-31g(d).nwchem.inp (generated) 000851479.b3lyp_6-31g(d).log.xz 000851479.td-b3lyp_6-31g+(d).inp 000851479.td-b3lyp_6-31g+(d).log.xz

000851479.td-b3lyp_6-31+g(d).qchem.inp (generated)

000851479.td-b3lyp_6-31+g(d).gjf (generated)

000851479.td-b3lyp_6-31+g(d).firefly.inp (generated)

000851479.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000851479.mol 000851479.PUBCHEM 000851479.mol (via Jmol)
000851480.b3lyp_6-31g(d).inp

000851480.b3lyp_6-31g(d).qchem.inp (generated)

000851480.b3lyp_6-31g(d).gjf (generated)

000851480.b3lyp_6-31g(d).firefly.inp (generated)

000851480.b3lyp_6-31g(d).smash.inp (generated)

000851480.b3lyp_6-31g(d).nwchem.inp (generated) 000851480.b3lyp_6-31g(d).log.xz 000851480.td-b3lyp_6-31g+(d).inp 000851480.td-b3lyp_6-31g+(d).log.xz

000851480.td-b3lyp_6-31+g(d).qchem.inp (generated)

000851480.td-b3lyp_6-31+g(d).gjf (generated)

000851480.td-b3lyp_6-31+g(d).firefly.inp (generated)

000851480.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000851480.mol 000851480.PUBCHEM 000851480.mol (via Jmol)
000851484.b3lyp_6-31g(d).inp

000851484.b3lyp_6-31g(d).qchem.inp (generated)

000851484.b3lyp_6-31g(d).gjf (generated)

000851484.b3lyp_6-31g(d).firefly.inp (generated)

000851484.b3lyp_6-31g(d).smash.inp (generated)

000851484.b3lyp_6-31g(d).nwchem.inp (generated) 000851484.b3lyp_6-31g(d).log.xz 000851484.td-b3lyp_6-31g+(d).inp 000851484.td-b3lyp_6-31g+(d).log.xz

000851484.td-b3lyp_6-31+g(d).qchem.inp (generated)

000851484.td-b3lyp_6-31+g(d).gjf (generated)

000851484.td-b3lyp_6-31+g(d).firefly.inp (generated)

000851484.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000851484.mol 000851484.PUBCHEM 000851484.mol (via Jmol)
000851534.b3lyp_6-31g(d).inp

000851534.b3lyp_6-31g(d).qchem.inp (generated)

000851534.b3lyp_6-31g(d).gjf (generated)

000851534.b3lyp_6-31g(d).firefly.inp (generated)

000851534.b3lyp_6-31g(d).smash.inp (generated)

000851534.b3lyp_6-31g(d).nwchem.inp (generated) 000851534.b3lyp_6-31g(d).log.xz 000851534.td-b3lyp_6-31g+(d).inp 000851534.td-b3lyp_6-31g+(d).log.xz

000851534.td-b3lyp_6-31+g(d).qchem.inp (generated)

000851534.td-b3lyp_6-31+g(d).gjf (generated)

000851534.td-b3lyp_6-31+g(d).firefly.inp (generated)

000851534.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000851534.mol 000851534.PUBCHEM 000851534.mol (via Jmol)
000851566.b3lyp_6-31g(d).inp

000851566.b3lyp_6-31g(d).qchem.inp (generated)

000851566.b3lyp_6-31g(d).gjf (generated)

000851566.b3lyp_6-31g(d).firefly.inp (generated)

000851566.b3lyp_6-31g(d).smash.inp (generated)

000851566.b3lyp_6-31g(d).nwchem.inp (generated) 000851566.b3lyp_6-31g(d).log.xz 000851566.mol 000851566.PUBCHEM 000851566.mol (via Jmol)
000851650.b3lyp_6-31g(d).inp

000851650.b3lyp_6-31g(d).qchem.inp (generated)

000851650.b3lyp_6-31g(d).gjf (generated)

000851650.b3lyp_6-31g(d).firefly.inp (generated)

000851650.b3lyp_6-31g(d).smash.inp (generated)

000851650.b3lyp_6-31g(d).nwchem.inp (generated) 000851650.b3lyp_6-31g(d).log.xz 000851650.td-b3lyp_6-31g+(d).inp 000851650.td-b3lyp_6-31g+(d).log.xz

000851650.td-b3lyp_6-31+g(d).qchem.inp (generated)

000851650.td-b3lyp_6-31+g(d).gjf (generated)

000851650.td-b3lyp_6-31+g(d).firefly.inp (generated)

000851650.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000851650.mol 000851650.PUBCHEM 000851650.mol (via Jmol)
000851678.b3lyp_6-31g(d).inp

000851678.b3lyp_6-31g(d).qchem.inp (generated)

000851678.b3lyp_6-31g(d).gjf (generated)

000851678.b3lyp_6-31g(d).firefly.inp (generated)

000851678.b3lyp_6-31g(d).smash.inp (generated)

000851678.b3lyp_6-31g(d).nwchem.inp (generated) 000851678.b3lyp_6-31g(d).log.xz 000851678.td-b3lyp_6-31g+(d).inp 000851678.td-b3lyp_6-31g+(d).log.xz

000851678.td-b3lyp_6-31+g(d).qchem.inp (generated)

000851678.td-b3lyp_6-31+g(d).gjf (generated)

000851678.td-b3lyp_6-31+g(d).firefly.inp (generated)

000851678.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000851678.mol 000851678.PUBCHEM 000851678.mol (via Jmol)
000851679.b3lyp_6-31g(d).inp

000851679.b3lyp_6-31g(d).qchem.inp (generated)

000851679.b3lyp_6-31g(d).gjf (generated)

000851679.b3lyp_6-31g(d).firefly.inp (generated)

000851679.b3lyp_6-31g(d).smash.inp (generated)

000851679.b3lyp_6-31g(d).nwchem.inp (generated) 000851679.b3lyp_6-31g(d).log.xz 000851679.td-b3lyp_6-31g+(d).inp 000851679.td-b3lyp_6-31g+(d).log.xz

000851679.td-b3lyp_6-31+g(d).qchem.inp (generated)

000851679.td-b3lyp_6-31+g(d).gjf (generated)

000851679.td-b3lyp_6-31+g(d).firefly.inp (generated)

000851679.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000851679.mol 000851679.PUBCHEM 000851679.mol (via Jmol)
000851707.b3lyp_6-31g(d).inp

000851707.b3lyp_6-31g(d).qchem.inp (generated)

000851707.b3lyp_6-31g(d).gjf (generated)

000851707.b3lyp_6-31g(d).firefly.inp (generated)

000851707.b3lyp_6-31g(d).smash.inp (generated)

000851707.b3lyp_6-31g(d).nwchem.inp (generated) 000851707.b3lyp_6-31g(d).log.xz 000851707.mol 000851707.PUBCHEM 000851707.mol (via Jmol)
000851722.b3lyp_6-31g(d).inp

000851722.b3lyp_6-31g(d).qchem.inp (generated)

000851722.b3lyp_6-31g(d).gjf (generated)

000851722.b3lyp_6-31g(d).firefly.inp (generated)

000851722.b3lyp_6-31g(d).smash.inp (generated)

000851722.b3lyp_6-31g(d).nwchem.inp (generated) 000851722.b3lyp_6-31g(d).log.xz 000851722.td-b3lyp_6-31g+(d).inp 000851722.td-b3lyp_6-31g+(d).log.xz

000851722.td-b3lyp_6-31+g(d).qchem.inp (generated)

000851722.td-b3lyp_6-31+g(d).gjf (generated)

000851722.td-b3lyp_6-31+g(d).firefly.inp (generated)

000851722.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000851722.mol 000851722.PUBCHEM 000851722.mol (via Jmol)
000851723.b3lyp_6-31g(d).inp

000851723.b3lyp_6-31g(d).qchem.inp (generated)

000851723.b3lyp_6-31g(d).gjf (generated)

000851723.b3lyp_6-31g(d).firefly.inp (generated)

000851723.b3lyp_6-31g(d).smash.inp (generated)

000851723.b3lyp_6-31g(d).nwchem.inp (generated) 000851723.b3lyp_6-31g(d).log.xz 000851723.td-b3lyp_6-31g+(d).inp 000851723.td-b3lyp_6-31g+(d).log.xz

000851723.td-b3lyp_6-31+g(d).qchem.inp (generated)

000851723.td-b3lyp_6-31+g(d).gjf (generated)

000851723.td-b3lyp_6-31+g(d).firefly.inp (generated)

000851723.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000851723.mol 000851723.PUBCHEM 000851723.mol (via Jmol)
000851735.b3lyp_6-31g(d).inp

000851735.b3lyp_6-31g(d).qchem.inp (generated)

000851735.b3lyp_6-31g(d).gjf (generated)

000851735.b3lyp_6-31g(d).firefly.inp (generated)

000851735.b3lyp_6-31g(d).smash.inp (generated)

000851735.b3lyp_6-31g(d).nwchem.inp (generated) 000851735.b3lyp_6-31g(d).log.xz 000851735.td-b3lyp_6-31g+(d).inp 000851735.td-b3lyp_6-31g+(d).log.xz

000851735.td-b3lyp_6-31+g(d).qchem.inp (generated)

000851735.td-b3lyp_6-31+g(d).gjf (generated)

000851735.td-b3lyp_6-31+g(d).firefly.inp (generated)

000851735.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000851735.mol 000851735.PUBCHEM 000851735.mol (via Jmol)
000851744.b3lyp_6-31g(d).inp

000851744.b3lyp_6-31g(d).qchem.inp (generated)

000851744.b3lyp_6-31g(d).gjf (generated)

000851744.b3lyp_6-31g(d).firefly.inp (generated)

000851744.b3lyp_6-31g(d).smash.inp (generated)

000851744.b3lyp_6-31g(d).nwchem.inp (generated) 000851744.b3lyp_6-31g(d).log.xz 000851744.td-b3lyp_6-31g+(d).inp 000851744.td-b3lyp_6-31g+(d).log.xz

000851744.td-b3lyp_6-31+g(d).qchem.inp (generated)

000851744.td-b3lyp_6-31+g(d).gjf (generated)

000851744.td-b3lyp_6-31+g(d).firefly.inp (generated)

000851744.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000851744.mol 000851744.PUBCHEM 000851744.mol (via Jmol)
000851759.b3lyp_6-31g(d).inp

000851759.b3lyp_6-31g(d).qchem.inp (generated)

000851759.b3lyp_6-31g(d).gjf (generated)

000851759.b3lyp_6-31g(d).firefly.inp (generated)

000851759.b3lyp_6-31g(d).smash.inp (generated)

000851759.b3lyp_6-31g(d).nwchem.inp (generated) 000851759.b3lyp_6-31g(d).log.xz 000851759.mol 000851759.PUBCHEM 000851759.mol (via Jmol)
000851777.b3lyp_6-31g(d).inp

000851777.b3lyp_6-31g(d).qchem.inp (generated)

000851777.b3lyp_6-31g(d).gjf (generated)

000851777.b3lyp_6-31g(d).firefly.inp (generated)

000851777.b3lyp_6-31g(d).smash.inp (generated)

000851777.b3lyp_6-31g(d).nwchem.inp (generated) 000851777.b3lyp_6-31g(d).log.xz 000851777.td-b3lyp_6-31g+(d).inp 000851777.td-b3lyp_6-31g+(d).log.xz

000851777.td-b3lyp_6-31+g(d).qchem.inp (generated)

000851777.td-b3lyp_6-31+g(d).gjf (generated)

000851777.td-b3lyp_6-31+g(d).firefly.inp (generated)

000851777.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000851777.mol 000851777.PUBCHEM 000851777.mol (via Jmol)
000851778.b3lyp_6-31g(d).inp

000851778.b3lyp_6-31g(d).qchem.inp (generated)

000851778.b3lyp_6-31g(d).gjf (generated)

000851778.b3lyp_6-31g(d).firefly.inp (generated)

000851778.b3lyp_6-31g(d).smash.inp (generated)

000851778.b3lyp_6-31g(d).nwchem.inp (generated) 000851778.b3lyp_6-31g(d).log.xz 000851778.td-b3lyp_6-31g+(d).inp 000851778.td-b3lyp_6-31g+(d).log.xz

000851778.td-b3lyp_6-31+g(d).qchem.inp (generated)

000851778.td-b3lyp_6-31+g(d).gjf (generated)

000851778.td-b3lyp_6-31+g(d).firefly.inp (generated)

000851778.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000851778.mol 000851778.PUBCHEM 000851778.mol (via Jmol)
000851787.b3lyp_6-31g(d).inp

000851787.b3lyp_6-31g(d).qchem.inp (generated)

000851787.b3lyp_6-31g(d).gjf (generated)

000851787.b3lyp_6-31g(d).firefly.inp (generated)

000851787.b3lyp_6-31g(d).smash.inp (generated)

000851787.b3lyp_6-31g(d).nwchem.inp (generated) 000851787.b3lyp_6-31g(d).log.xz 000851787.td-b3lyp_6-31g+(d).inp 000851787.td-b3lyp_6-31g+(d).log.xz

000851787.td-b3lyp_6-31+g(d).qchem.inp (generated)

000851787.td-b3lyp_6-31+g(d).gjf (generated)

000851787.td-b3lyp_6-31+g(d).firefly.inp (generated)

000851787.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000851787.mol 000851787.PUBCHEM 000851787.mol (via Jmol)
000851794.b3lyp_6-31g(d).inp

000851794.b3lyp_6-31g(d).qchem.inp (generated)

000851794.b3lyp_6-31g(d).gjf (generated)

000851794.b3lyp_6-31g(d).firefly.inp (generated)

000851794.b3lyp_6-31g(d).smash.inp (generated)

000851794.b3lyp_6-31g(d).nwchem.inp (generated) 000851794.b3lyp_6-31g(d).log.xz 000851794.mol 000851794.PUBCHEM 000851794.mol (via Jmol)
000851797.b3lyp_6-31g(d).inp

000851797.b3lyp_6-31g(d).qchem.inp (generated)

000851797.b3lyp_6-31g(d).gjf (generated)

000851797.b3lyp_6-31g(d).firefly.inp (generated)

000851797.b3lyp_6-31g(d).smash.inp (generated)

000851797.b3lyp_6-31g(d).nwchem.inp (generated) 000851797.b3lyp_6-31g(d).log.xz 000851797.td-b3lyp_6-31g+(d).inp 000851797.td-b3lyp_6-31g+(d).log.xz

000851797.td-b3lyp_6-31+g(d).qchem.inp (generated)

000851797.td-b3lyp_6-31+g(d).gjf (generated)

000851797.td-b3lyp_6-31+g(d).firefly.inp (generated)

000851797.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000851797.mol 000851797.PUBCHEM 000851797.mol (via Jmol)
000851801.b3lyp_6-31g(d).inp

000851801.b3lyp_6-31g(d).qchem.inp (generated)

000851801.b3lyp_6-31g(d).gjf (generated)

000851801.b3lyp_6-31g(d).firefly.inp (generated)

000851801.b3lyp_6-31g(d).smash.inp (generated)

000851801.b3lyp_6-31g(d).nwchem.inp (generated) 000851801.b3lyp_6-31g(d).log.xz 000851801.mol 000851801.PUBCHEM 000851801.mol (via Jmol)
000851805.b3lyp_6-31g(d).inp

000851805.b3lyp_6-31g(d).qchem.inp (generated)

000851805.b3lyp_6-31g(d).gjf (generated)

000851805.b3lyp_6-31g(d).firefly.inp (generated)

000851805.b3lyp_6-31g(d).smash.inp (generated)

000851805.b3lyp_6-31g(d).nwchem.inp (generated) 000851805.b3lyp_6-31g(d).log.xz 000851805.td-b3lyp_6-31g+(d).inp 000851805.td-b3lyp_6-31g+(d).log.xz

000851805.td-b3lyp_6-31+g(d).qchem.inp (generated)

000851805.td-b3lyp_6-31+g(d).gjf (generated)

000851805.td-b3lyp_6-31+g(d).firefly.inp (generated)

000851805.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000851805.mol 000851805.PUBCHEM 000851805.mol (via Jmol)
000851806.b3lyp_6-31g(d).inp

000851806.b3lyp_6-31g(d).qchem.inp (generated)

000851806.b3lyp_6-31g(d).gjf (generated)

000851806.b3lyp_6-31g(d).firefly.inp (generated)

000851806.b3lyp_6-31g(d).smash.inp (generated)

000851806.b3lyp_6-31g(d).nwchem.inp (generated) 000851806.b3lyp_6-31g(d).log.xz 000851806.td-b3lyp_6-31g+(d).inp 000851806.td-b3lyp_6-31g+(d).log.xz

000851806.td-b3lyp_6-31+g(d).qchem.inp (generated)

000851806.td-b3lyp_6-31+g(d).gjf (generated)

000851806.td-b3lyp_6-31+g(d).firefly.inp (generated)

000851806.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000851806.mol 000851806.PUBCHEM 000851806.mol (via Jmol)
000851832.b3lyp_6-31g(d).inp

000851832.b3lyp_6-31g(d).qchem.inp (generated)

000851832.b3lyp_6-31g(d).gjf (generated)

000851832.b3lyp_6-31g(d).firefly.inp (generated)

000851832.b3lyp_6-31g(d).smash.inp (generated)

000851832.b3lyp_6-31g(d).nwchem.inp (generated) 000851832.b3lyp_6-31g(d).log.xz 000851832.mol 000851832.PUBCHEM 000851832.mol (via Jmol)
000851833.b3lyp_6-31g(d).inp

000851833.b3lyp_6-31g(d).qchem.inp (generated)

000851833.b3lyp_6-31g(d).gjf (generated)

000851833.b3lyp_6-31g(d).firefly.inp (generated)

000851833.b3lyp_6-31g(d).smash.inp (generated)

000851833.b3lyp_6-31g(d).nwchem.inp (generated) 000851833.b3lyp_6-31g(d).log.xz 000851833.td-b3lyp_6-31g+(d).inp 000851833.td-b3lyp_6-31g+(d).log.xz

000851833.td-b3lyp_6-31+g(d).qchem.inp (generated)

000851833.td-b3lyp_6-31+g(d).gjf (generated)

000851833.td-b3lyp_6-31+g(d).firefly.inp (generated)

000851833.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000851833.mol 000851833.PUBCHEM 000851833.mol (via Jmol)
000851835.b3lyp_6-31g(d).inp

000851835.b3lyp_6-31g(d).qchem.inp (generated)

000851835.b3lyp_6-31g(d).gjf (generated)

000851835.b3lyp_6-31g(d).firefly.inp (generated)

000851835.b3lyp_6-31g(d).smash.inp (generated)

000851835.b3lyp_6-31g(d).nwchem.inp (generated) 000851835.b3lyp_6-31g(d).log.xz 000851835.td-b3lyp_6-31g+(d).inp 000851835.td-b3lyp_6-31g+(d).log.xz

000851835.td-b3lyp_6-31+g(d).qchem.inp (generated)

000851835.td-b3lyp_6-31+g(d).gjf (generated)

000851835.td-b3lyp_6-31+g(d).firefly.inp (generated)

000851835.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000851835.mol 000851835.PUBCHEM 000851835.mol (via Jmol)
000851836.b3lyp_6-31g(d).inp

000851836.b3lyp_6-31g(d).qchem.inp (generated)

000851836.b3lyp_6-31g(d).gjf (generated)

000851836.b3lyp_6-31g(d).firefly.inp (generated)

000851836.b3lyp_6-31g(d).smash.inp (generated)

000851836.b3lyp_6-31g(d).nwchem.inp (generated) 000851836.b3lyp_6-31g(d).log.xz 000851836.td-b3lyp_6-31g+(d).inp 000851836.td-b3lyp_6-31g+(d).log.xz

000851836.td-b3lyp_6-31+g(d).qchem.inp (generated)

000851836.td-b3lyp_6-31+g(d).gjf (generated)

000851836.td-b3lyp_6-31+g(d).firefly.inp (generated)

000851836.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000851836.mol 000851836.PUBCHEM 000851836.mol (via Jmol)
000851838.b3lyp_6-31g(d).inp

000851838.b3lyp_6-31g(d).qchem.inp (generated)

000851838.b3lyp_6-31g(d).gjf (generated)

000851838.b3lyp_6-31g(d).firefly.inp (generated)

000851838.b3lyp_6-31g(d).smash.inp (generated)

000851838.b3lyp_6-31g(d).nwchem.inp (generated) 000851838.b3lyp_6-31g(d).log.xz 000851838.td-b3lyp_6-31g+(d).inp 000851838.td-b3lyp_6-31g+(d).log.xz

000851838.td-b3lyp_6-31+g(d).qchem.inp (generated)

000851838.td-b3lyp_6-31+g(d).gjf (generated)

000851838.td-b3lyp_6-31+g(d).firefly.inp (generated)

000851838.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000851838.mol 000851838.PUBCHEM 000851838.mol (via Jmol)
000851839.b3lyp_6-31g(d).inp

000851839.b3lyp_6-31g(d).qchem.inp (generated)

000851839.b3lyp_6-31g(d).gjf (generated)

000851839.b3lyp_6-31g(d).firefly.inp (generated)

000851839.b3lyp_6-31g(d).smash.inp (generated)

000851839.b3lyp_6-31g(d).nwchem.inp (generated) 000851839.b3lyp_6-31g(d).log.xz 000851839.td-b3lyp_6-31g+(d).inp 000851839.td-b3lyp_6-31g+(d).log.xz

000851839.td-b3lyp_6-31+g(d).qchem.inp (generated)

000851839.td-b3lyp_6-31+g(d).gjf (generated)

000851839.td-b3lyp_6-31+g(d).firefly.inp (generated)

000851839.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000851839.mol 000851839.PUBCHEM 000851839.mol (via Jmol)
000851852.b3lyp_6-31g(d).inp

000851852.b3lyp_6-31g(d).qchem.inp (generated)

000851852.b3lyp_6-31g(d).gjf (generated)

000851852.b3lyp_6-31g(d).firefly.inp (generated)

000851852.b3lyp_6-31g(d).smash.inp (generated)

000851852.b3lyp_6-31g(d).nwchem.inp (generated) 000851852.b3lyp_6-31g(d).log.xz 000851852.mol 000851852.PUBCHEM 000851852.mol (via Jmol)
000851853.b3lyp_6-31g(d).inp

000851853.b3lyp_6-31g(d).qchem.inp (generated)

000851853.b3lyp_6-31g(d).gjf (generated)

000851853.b3lyp_6-31g(d).firefly.inp (generated)

000851853.b3lyp_6-31g(d).smash.inp (generated)

000851853.b3lyp_6-31g(d).nwchem.inp (generated) 000851853.b3lyp_6-31g(d).log.xz 000851853.td-b3lyp_6-31g+(d).inp 000851853.td-b3lyp_6-31g+(d).log.xz

000851853.td-b3lyp_6-31+g(d).qchem.inp (generated)

000851853.td-b3lyp_6-31+g(d).gjf (generated)

000851853.td-b3lyp_6-31+g(d).firefly.inp (generated)

000851853.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000851853.mol 000851853.PUBCHEM 000851853.mol (via Jmol)
000851854.b3lyp_6-31g(d).inp

000851854.b3lyp_6-31g(d).qchem.inp (generated)

000851854.b3lyp_6-31g(d).gjf (generated)

000851854.b3lyp_6-31g(d).firefly.inp (generated)

000851854.b3lyp_6-31g(d).smash.inp (generated)

000851854.b3lyp_6-31g(d).nwchem.inp (generated) 000851854.b3lyp_6-31g(d).log.xz 000851854.td-b3lyp_6-31g+(d).inp 000851854.td-b3lyp_6-31g+(d).log.xz

000851854.td-b3lyp_6-31+g(d).qchem.inp (generated)

000851854.td-b3lyp_6-31+g(d).gjf (generated)

000851854.td-b3lyp_6-31+g(d).firefly.inp (generated)

000851854.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000851854.mol 000851854.PUBCHEM 000851854.mol (via Jmol)
000851857.b3lyp_6-31g(d).inp

000851857.b3lyp_6-31g(d).qchem.inp (generated)

000851857.b3lyp_6-31g(d).gjf (generated)

000851857.b3lyp_6-31g(d).firefly.inp (generated)

000851857.b3lyp_6-31g(d).smash.inp (generated)

000851857.b3lyp_6-31g(d).nwchem.inp (generated) 000851857.b3lyp_6-31g(d).log.xz 000851857.td-b3lyp_6-31g+(d).inp 000851857.td-b3lyp_6-31g+(d).log.xz

000851857.td-b3lyp_6-31+g(d).qchem.inp (generated)

000851857.td-b3lyp_6-31+g(d).gjf (generated)

000851857.td-b3lyp_6-31+g(d).firefly.inp (generated)

000851857.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000851857.mol 000851857.PUBCHEM 000851857.mol (via Jmol)
000851858.b3lyp_6-31g(d).inp

000851858.b3lyp_6-31g(d).qchem.inp (generated)

000851858.b3lyp_6-31g(d).gjf (generated)

000851858.b3lyp_6-31g(d).firefly.inp (generated)

000851858.b3lyp_6-31g(d).smash.inp (generated)

000851858.b3lyp_6-31g(d).nwchem.inp (generated) 000851858.b3lyp_6-31g(d).log.xz 000851858.td-b3lyp_6-31g+(d).inp 000851858.td-b3lyp_6-31g+(d).log.xz

000851858.td-b3lyp_6-31+g(d).qchem.inp (generated)

000851858.td-b3lyp_6-31+g(d).gjf (generated)

000851858.td-b3lyp_6-31+g(d).firefly.inp (generated)

000851858.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000851858.mol 000851858.PUBCHEM 000851858.mol (via Jmol)
000851859.b3lyp_6-31g(d).inp

000851859.b3lyp_6-31g(d).qchem.inp (generated)

000851859.b3lyp_6-31g(d).gjf (generated)

000851859.b3lyp_6-31g(d).firefly.inp (generated)

000851859.b3lyp_6-31g(d).smash.inp (generated)

000851859.b3lyp_6-31g(d).nwchem.inp (generated) 000851859.b3lyp_6-31g(d).log.xz 000851859.mol 000851859.PUBCHEM 000851859.mol (via Jmol)
000851861.b3lyp_6-31g(d).inp

000851861.b3lyp_6-31g(d).qchem.inp (generated)

000851861.b3lyp_6-31g(d).gjf (generated)

000851861.b3lyp_6-31g(d).firefly.inp (generated)

000851861.b3lyp_6-31g(d).smash.inp (generated)

000851861.b3lyp_6-31g(d).nwchem.inp (generated) 000851861.b3lyp_6-31g(d).log.xz 000851861.mol 000851861.PUBCHEM 000851861.mol (via Jmol)
000851865.b3lyp_6-31g(d).inp

000851865.b3lyp_6-31g(d).qchem.inp (generated)

000851865.b3lyp_6-31g(d).gjf (generated)

000851865.b3lyp_6-31g(d).firefly.inp (generated)

000851865.b3lyp_6-31g(d).smash.inp (generated)

000851865.b3lyp_6-31g(d).nwchem.inp (generated) 000851865.b3lyp_6-31g(d).log.xz 000851865.td-b3lyp_6-31g+(d).inp 000851865.td-b3lyp_6-31g+(d).log.xz

000851865.td-b3lyp_6-31+g(d).qchem.inp (generated)

000851865.td-b3lyp_6-31+g(d).gjf (generated)

000851865.td-b3lyp_6-31+g(d).firefly.inp (generated)

000851865.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000851865.mol 000851865.PUBCHEM 000851865.mol (via Jmol)
000851889.b3lyp_6-31g(d).inp

000851889.b3lyp_6-31g(d).qchem.inp (generated)

000851889.b3lyp_6-31g(d).gjf (generated)

000851889.b3lyp_6-31g(d).firefly.inp (generated)

000851889.b3lyp_6-31g(d).smash.inp (generated)

000851889.b3lyp_6-31g(d).nwchem.inp (generated) 000851889.b3lyp_6-31g(d).log.xz 000851889.mol 000851889.PUBCHEM 000851889.mol (via Jmol)
000851914.b3lyp_6-31g(d).inp

000851914.b3lyp_6-31g(d).qchem.inp (generated)

000851914.b3lyp_6-31g(d).gjf (generated)

000851914.b3lyp_6-31g(d).firefly.inp (generated)

000851914.b3lyp_6-31g(d).smash.inp (generated)

000851914.b3lyp_6-31g(d).nwchem.inp (generated) 000851914.b3lyp_6-31g(d).log.xz 000851914.td-b3lyp_6-31g+(d).inp 000851914.td-b3lyp_6-31g+(d).log.xz

000851914.td-b3lyp_6-31+g(d).qchem.inp (generated)

000851914.td-b3lyp_6-31+g(d).gjf (generated)

000851914.td-b3lyp_6-31+g(d).firefly.inp (generated)

000851914.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000851914.mol 000851914.PUBCHEM 000851914.mol (via Jmol)
000851917.b3lyp_6-31g(d).inp

000851917.b3lyp_6-31g(d).qchem.inp (generated)

000851917.b3lyp_6-31g(d).gjf (generated)

000851917.b3lyp_6-31g(d).firefly.inp (generated)

000851917.b3lyp_6-31g(d).smash.inp (generated)

000851917.b3lyp_6-31g(d).nwchem.inp (generated) 000851917.b3lyp_6-31g(d).log.xz 000851917.mol 000851917.PUBCHEM 000851917.mol (via Jmol)
000851921.b3lyp_6-31g(d).inp

000851921.b3lyp_6-31g(d).qchem.inp (generated)

000851921.b3lyp_6-31g(d).gjf (generated)

000851921.b3lyp_6-31g(d).firefly.inp (generated)

000851921.b3lyp_6-31g(d).smash.inp (generated)

000851921.b3lyp_6-31g(d).nwchem.inp (generated) 000851921.b3lyp_6-31g(d).log.xz 000851921.td-b3lyp_6-31g+(d).inp 000851921.td-b3lyp_6-31g+(d).log.xz

000851921.td-b3lyp_6-31+g(d).qchem.inp (generated)

000851921.td-b3lyp_6-31+g(d).gjf (generated)

000851921.td-b3lyp_6-31+g(d).firefly.inp (generated)

000851921.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000851921.mol 000851921.PUBCHEM 000851921.mol (via Jmol)
000851922.b3lyp_6-31g(d).inp

000851922.b3lyp_6-31g(d).qchem.inp (generated)

000851922.b3lyp_6-31g(d).gjf (generated)

000851922.b3lyp_6-31g(d).firefly.inp (generated)

000851922.b3lyp_6-31g(d).smash.inp (generated)

000851922.b3lyp_6-31g(d).nwchem.inp (generated) 000851922.b3lyp_6-31g(d).log.xz 000851922.td-b3lyp_6-31g+(d).inp 000851922.td-b3lyp_6-31g+(d).log.xz

000851922.td-b3lyp_6-31+g(d).qchem.inp (generated)

000851922.td-b3lyp_6-31+g(d).gjf (generated)

000851922.td-b3lyp_6-31+g(d).firefly.inp (generated)

000851922.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000851922.mol 000851922.PUBCHEM 000851922.mol (via Jmol)
000851929.b3lyp_6-31g(d).inp

000851929.b3lyp_6-31g(d).qchem.inp (generated)

000851929.b3lyp_6-31g(d).gjf (generated)

000851929.b3lyp_6-31g(d).firefly.inp (generated)

000851929.b3lyp_6-31g(d).smash.inp (generated)

000851929.b3lyp_6-31g(d).nwchem.inp (generated) 000851929.b3lyp_6-31g(d).log.xz 000851929.mol 000851929.PUBCHEM 000851929.mol (via Jmol)
000851930.b3lyp_6-31g(d).inp

000851930.b3lyp_6-31g(d).qchem.inp (generated)

000851930.b3lyp_6-31g(d).gjf (generated)

000851930.b3lyp_6-31g(d).firefly.inp (generated)

000851930.b3lyp_6-31g(d).smash.inp (generated)

000851930.b3lyp_6-31g(d).nwchem.inp (generated) 000851930.b3lyp_6-31g(d).log.xz 000851930.mol 000851930.PUBCHEM 000851930.mol (via Jmol)
000851933.b3lyp_6-31g(d).inp

000851933.b3lyp_6-31g(d).qchem.inp (generated)

000851933.b3lyp_6-31g(d).gjf (generated)

000851933.b3lyp_6-31g(d).firefly.inp (generated)

000851933.b3lyp_6-31g(d).smash.inp (generated)

000851933.b3lyp_6-31g(d).nwchem.inp (generated) 000851933.b3lyp_6-31g(d).log.xz 000851933.mol 000851933.PUBCHEM 000851933.mol (via Jmol)
000851934.b3lyp_6-31g(d).inp

000851934.b3lyp_6-31g(d).qchem.inp (generated)

000851934.b3lyp_6-31g(d).gjf (generated)

000851934.b3lyp_6-31g(d).firefly.inp (generated)

000851934.b3lyp_6-31g(d).smash.inp (generated)

000851934.b3lyp_6-31g(d).nwchem.inp (generated) 000851934.b3lyp_6-31g(d).log.xz 000851934.mol 000851934.PUBCHEM 000851934.mol (via Jmol)
000851948.b3lyp_6-31g(d).inp

000851948.b3lyp_6-31g(d).qchem.inp (generated)

000851948.b3lyp_6-31g(d).gjf (generated)

000851948.b3lyp_6-31g(d).firefly.inp (generated)

000851948.b3lyp_6-31g(d).smash.inp (generated)

000851948.b3lyp_6-31g(d).nwchem.inp (generated) 000851948.b3lyp_6-31g(d).log.xz 000851948.mol 000851948.PUBCHEM 000851948.mol (via Jmol)
000851949.b3lyp_6-31g(d).inp

000851949.b3lyp_6-31g(d).qchem.inp (generated)

000851949.b3lyp_6-31g(d).gjf (generated)

000851949.b3lyp_6-31g(d).firefly.inp (generated)

000851949.b3lyp_6-31g(d).smash.inp (generated)

000851949.b3lyp_6-31g(d).nwchem.inp (generated) 000851949.b3lyp_6-31g(d).log.xz 000851949.mol 000851949.PUBCHEM 000851949.mol (via Jmol)
000851950.b3lyp_6-31g(d).inp

000851950.b3lyp_6-31g(d).qchem.inp (generated)

000851950.b3lyp_6-31g(d).gjf (generated)

000851950.b3lyp_6-31g(d).firefly.inp (generated)

000851950.b3lyp_6-31g(d).smash.inp (generated)

000851950.b3lyp_6-31g(d).nwchem.inp (generated) 000851950.b3lyp_6-31g(d).log.xz 000851950.mol 000851950.PUBCHEM 000851950.mol (via Jmol)
000851951.b3lyp_6-31g(d).inp

000851951.b3lyp_6-31g(d).qchem.inp (generated)

000851951.b3lyp_6-31g(d).gjf (generated)

000851951.b3lyp_6-31g(d).firefly.inp (generated)

000851951.b3lyp_6-31g(d).smash.inp (generated)

000851951.b3lyp_6-31g(d).nwchem.inp (generated) 000851951.b3lyp_6-31g(d).log.xz 000851951.mol 000851951.PUBCHEM 000851951.mol (via Jmol)
000851977.b3lyp_6-31g(d).inp

000851977.b3lyp_6-31g(d).qchem.inp (generated)

000851977.b3lyp_6-31g(d).gjf (generated)

000851977.b3lyp_6-31g(d).firefly.inp (generated)

000851977.b3lyp_6-31g(d).smash.inp (generated)

000851977.b3lyp_6-31g(d).nwchem.inp (generated) 000851977.b3lyp_6-31g(d).log.xz 000851977.td-b3lyp_6-31g+(d).inp 000851977.td-b3lyp_6-31g+(d).log.xz

000851977.td-b3lyp_6-31+g(d).qchem.inp (generated)

000851977.td-b3lyp_6-31+g(d).gjf (generated)

000851977.td-b3lyp_6-31+g(d).firefly.inp (generated)

000851977.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000851977.mol 000851977.PUBCHEM 000851977.mol (via Jmol)
000851986.b3lyp_6-31g(d).inp

000851986.b3lyp_6-31g(d).qchem.inp (generated)

000851986.b3lyp_6-31g(d).gjf (generated)

000851986.b3lyp_6-31g(d).firefly.inp (generated)

000851986.b3lyp_6-31g(d).smash.inp (generated)

000851986.b3lyp_6-31g(d).nwchem.inp (generated) 000851986.b3lyp_6-31g(d).log.xz 000851986.td-b3lyp_6-31g+(d).inp 000851986.td-b3lyp_6-31g+(d).log.xz

000851986.td-b3lyp_6-31+g(d).qchem.inp (generated)

000851986.td-b3lyp_6-31+g(d).gjf (generated)

000851986.td-b3lyp_6-31+g(d).firefly.inp (generated)

000851986.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000851986.mol 000851986.PUBCHEM 000851986.mol (via Jmol)
000851999.b3lyp_6-31g(d).inp

000851999.b3lyp_6-31g(d).qchem.inp (generated)

000851999.b3lyp_6-31g(d).gjf (generated)

000851999.b3lyp_6-31g(d).firefly.inp (generated)

000851999.b3lyp_6-31g(d).smash.inp (generated)

000851999.b3lyp_6-31g(d).nwchem.inp (generated) 000851999.b3lyp_6-31g(d).log.xz 000851999.td-b3lyp_6-31g+(d).inp 000851999.td-b3lyp_6-31g+(d).log.xz

000851999.td-b3lyp_6-31+g(d).qchem.inp (generated)

000851999.td-b3lyp_6-31+g(d).gjf (generated)

000851999.td-b3lyp_6-31+g(d).firefly.inp (generated)

000851999.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000851999.mol 000851999.PUBCHEM 000851999.mol (via Jmol)
000852003.b3lyp_6-31g(d).inp

000852003.b3lyp_6-31g(d).qchem.inp (generated)

000852003.b3lyp_6-31g(d).gjf (generated)

000852003.b3lyp_6-31g(d).firefly.inp (generated)

000852003.b3lyp_6-31g(d).smash.inp (generated)

000852003.b3lyp_6-31g(d).nwchem.inp (generated) 000852003.b3lyp_6-31g(d).log.xz 000852003.td-b3lyp_6-31g+(d).inp 000852003.td-b3lyp_6-31g+(d).log.xz

000852003.td-b3lyp_6-31+g(d).qchem.inp (generated)

000852003.td-b3lyp_6-31+g(d).gjf (generated)

000852003.td-b3lyp_6-31+g(d).firefly.inp (generated)

000852003.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000852003.mol 000852003.PUBCHEM 000852003.mol (via Jmol)
000852005.b3lyp_6-31g(d).inp

000852005.b3lyp_6-31g(d).qchem.inp (generated)

000852005.b3lyp_6-31g(d).gjf (generated)

000852005.b3lyp_6-31g(d).firefly.inp (generated)

000852005.b3lyp_6-31g(d).smash.inp (generated)

000852005.b3lyp_6-31g(d).nwchem.inp (generated) 000852005.b3lyp_6-31g(d).log.xz 000852005.td-b3lyp_6-31g+(d).inp 000852005.td-b3lyp_6-31g+(d).log.xz

000852005.td-b3lyp_6-31+g(d).qchem.inp (generated)

000852005.td-b3lyp_6-31+g(d).gjf (generated)

000852005.td-b3lyp_6-31+g(d).firefly.inp (generated)

000852005.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000852005.mol 000852005.PUBCHEM 000852005.mol (via Jmol)
000852010.b3lyp_6-31g(d).inp

000852010.b3lyp_6-31g(d).qchem.inp (generated)

000852010.b3lyp_6-31g(d).gjf (generated)

000852010.b3lyp_6-31g(d).firefly.inp (generated)

000852010.b3lyp_6-31g(d).smash.inp (generated)

000852010.b3lyp_6-31g(d).nwchem.inp (generated) 000852010.b3lyp_6-31g(d).log.xz 000852010.td-b3lyp_6-31g+(d).inp 000852010.td-b3lyp_6-31g+(d).log.xz

000852010.td-b3lyp_6-31+g(d).qchem.inp (generated)

000852010.td-b3lyp_6-31+g(d).gjf (generated)

000852010.td-b3lyp_6-31+g(d).firefly.inp (generated)

000852010.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000852010.mol 000852010.PUBCHEM 000852010.mol (via Jmol)
000852018.b3lyp_6-31g(d).inp

000852018.b3lyp_6-31g(d).qchem.inp (generated)

000852018.b3lyp_6-31g(d).gjf (generated)

000852018.b3lyp_6-31g(d).firefly.inp (generated)

000852018.b3lyp_6-31g(d).smash.inp (generated)

000852018.b3lyp_6-31g(d).nwchem.inp (generated) 000852018.b3lyp_6-31g(d).log.xz 000852018.td-b3lyp_6-31g+(d).inp 000852018.td-b3lyp_6-31g+(d).log.xz

000852018.td-b3lyp_6-31+g(d).qchem.inp (generated)

000852018.td-b3lyp_6-31+g(d).gjf (generated)

000852018.td-b3lyp_6-31+g(d).firefly.inp (generated)

000852018.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000852018.mol 000852018.PUBCHEM 000852018.mol (via Jmol)
000852028.b3lyp_6-31g(d).inp

000852028.b3lyp_6-31g(d).qchem.inp (generated)

000852028.b3lyp_6-31g(d).gjf (generated)

000852028.b3lyp_6-31g(d).firefly.inp (generated)

000852028.b3lyp_6-31g(d).smash.inp (generated)

000852028.b3lyp_6-31g(d).nwchem.inp (generated) 000852028.b3lyp_6-31g(d).log.xz 000852028.td-b3lyp_6-31g+(d).inp 000852028.td-b3lyp_6-31g+(d).log.xz

000852028.td-b3lyp_6-31+g(d).qchem.inp (generated)

000852028.td-b3lyp_6-31+g(d).gjf (generated)

000852028.td-b3lyp_6-31+g(d).firefly.inp (generated)

000852028.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000852028.mol 000852028.PUBCHEM 000852028.mol (via Jmol)
000852033.b3lyp_6-31g(d).inp

000852033.b3lyp_6-31g(d).qchem.inp (generated)

000852033.b3lyp_6-31g(d).gjf (generated)

000852033.b3lyp_6-31g(d).firefly.inp (generated)

000852033.b3lyp_6-31g(d).smash.inp (generated)

000852033.b3lyp_6-31g(d).nwchem.inp (generated) 000852033.b3lyp_6-31g(d).log.xz 000852033.td-b3lyp_6-31g+(d).inp 000852033.td-b3lyp_6-31g+(d).log.xz

000852033.td-b3lyp_6-31+g(d).qchem.inp (generated)

000852033.td-b3lyp_6-31+g(d).gjf (generated)

000852033.td-b3lyp_6-31+g(d).firefly.inp (generated)

000852033.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000852033.mol 000852033.PUBCHEM 000852033.mol (via Jmol)
000852045.b3lyp_6-31g(d).inp

000852045.b3lyp_6-31g(d).qchem.inp (generated)

000852045.b3lyp_6-31g(d).gjf (generated)

000852045.b3lyp_6-31g(d).firefly.inp (generated)

000852045.b3lyp_6-31g(d).smash.inp (generated)

000852045.b3lyp_6-31g(d).nwchem.inp (generated) 000852045.b3lyp_6-31g(d).log.xz 000852045.td-b3lyp_6-31g+(d).inp 000852045.td-b3lyp_6-31g+(d).log.xz

000852045.td-b3lyp_6-31+g(d).qchem.inp (generated)

000852045.td-b3lyp_6-31+g(d).gjf (generated)

000852045.td-b3lyp_6-31+g(d).firefly.inp (generated)

000852045.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000852045.mol 000852045.PUBCHEM 000852045.mol (via Jmol)
000852048.b3lyp_6-31g(d).inp

000852048.b3lyp_6-31g(d).qchem.inp (generated)

000852048.b3lyp_6-31g(d).gjf (generated)

000852048.b3lyp_6-31g(d).firefly.inp (generated)

000852048.b3lyp_6-31g(d).smash.inp (generated)

000852048.b3lyp_6-31g(d).nwchem.inp (generated) 000852048.b3lyp_6-31g(d).log.xz 000852048.td-b3lyp_6-31g+(d).inp 000852048.td-b3lyp_6-31g+(d).log.xz

000852048.td-b3lyp_6-31+g(d).qchem.inp (generated)

000852048.td-b3lyp_6-31+g(d).gjf (generated)

000852048.td-b3lyp_6-31+g(d).firefly.inp (generated)

000852048.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000852048.mol 000852048.PUBCHEM 000852048.mol (via Jmol)
000852059.b3lyp_6-31g(d).inp

000852059.b3lyp_6-31g(d).qchem.inp (generated)

000852059.b3lyp_6-31g(d).gjf (generated)

000852059.b3lyp_6-31g(d).firefly.inp (generated)

000852059.b3lyp_6-31g(d).smash.inp (generated)

000852059.b3lyp_6-31g(d).nwchem.inp (generated) 000852059.b3lyp_6-31g(d).log.xz 000852059.td-b3lyp_6-31g+(d).inp 000852059.td-b3lyp_6-31g+(d).log.xz

000852059.td-b3lyp_6-31+g(d).qchem.inp (generated)

000852059.td-b3lyp_6-31+g(d).gjf (generated)

000852059.td-b3lyp_6-31+g(d).firefly.inp (generated)

000852059.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000852059.mol 000852059.PUBCHEM 000852059.mol (via Jmol)
000852062.b3lyp_6-31g(d).inp

000852062.b3lyp_6-31g(d).qchem.inp (generated)

000852062.b3lyp_6-31g(d).gjf (generated)

000852062.b3lyp_6-31g(d).firefly.inp (generated)

000852062.b3lyp_6-31g(d).smash.inp (generated)

000852062.b3lyp_6-31g(d).nwchem.inp (generated) 000852062.b3lyp_6-31g(d).log.xz 000852062.td-b3lyp_6-31g+(d).inp 000852062.td-b3lyp_6-31g+(d).log.xz

000852062.td-b3lyp_6-31+g(d).qchem.inp (generated)

000852062.td-b3lyp_6-31+g(d).gjf (generated)

000852062.td-b3lyp_6-31+g(d).firefly.inp (generated)

000852062.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000852062.mol 000852062.PUBCHEM 000852062.mol (via Jmol)
000852067.b3lyp_6-31g(d).inp

000852067.b3lyp_6-31g(d).qchem.inp (generated)

000852067.b3lyp_6-31g(d).gjf (generated)

000852067.b3lyp_6-31g(d).firefly.inp (generated)

000852067.b3lyp_6-31g(d).smash.inp (generated)

000852067.b3lyp_6-31g(d).nwchem.inp (generated) 000852067.b3lyp_6-31g(d).log.xz 000852067.td-b3lyp_6-31g+(d).inp 000852067.td-b3lyp_6-31g+(d).log.xz

000852067.td-b3lyp_6-31+g(d).qchem.inp (generated)

000852067.td-b3lyp_6-31+g(d).gjf (generated)

000852067.td-b3lyp_6-31+g(d).firefly.inp (generated)

000852067.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000852067.mol 000852067.PUBCHEM 000852067.mol (via Jmol)
000852075.b3lyp_6-31g(d).inp

000852075.b3lyp_6-31g(d).qchem.inp (generated)

000852075.b3lyp_6-31g(d).gjf (generated)

000852075.b3lyp_6-31g(d).firefly.inp (generated)

000852075.b3lyp_6-31g(d).smash.inp (generated)

000852075.b3lyp_6-31g(d).nwchem.inp (generated) 000852075.b3lyp_6-31g(d).log.xz 000852075.td-b3lyp_6-31g+(d).inp 000852075.td-b3lyp_6-31g+(d).log.xz

000852075.td-b3lyp_6-31+g(d).qchem.inp (generated)

000852075.td-b3lyp_6-31+g(d).gjf (generated)

000852075.td-b3lyp_6-31+g(d).firefly.inp (generated)

000852075.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000852075.mol 000852075.PUBCHEM 000852075.mol (via Jmol)
000852099.b3lyp_6-31g(d).inp

000852099.b3lyp_6-31g(d).qchem.inp (generated)

000852099.b3lyp_6-31g(d).gjf (generated)

000852099.b3lyp_6-31g(d).firefly.inp (generated)

000852099.b3lyp_6-31g(d).smash.inp (generated)

000852099.b3lyp_6-31g(d).nwchem.inp (generated) 000852099.b3lyp_6-31g(d).log.xz 000852099.td-b3lyp_6-31g+(d).inp 000852099.td-b3lyp_6-31g+(d).log.xz

000852099.td-b3lyp_6-31+g(d).qchem.inp (generated)

000852099.td-b3lyp_6-31+g(d).gjf (generated)

000852099.td-b3lyp_6-31+g(d).firefly.inp (generated)

000852099.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000852099.mol 000852099.PUBCHEM 000852099.mol (via Jmol)
000852100.b3lyp_6-31g(d).inp

000852100.b3lyp_6-31g(d).qchem.inp (generated)

000852100.b3lyp_6-31g(d).gjf (generated)

000852100.b3lyp_6-31g(d).firefly.inp (generated)

000852100.b3lyp_6-31g(d).smash.inp (generated)

000852100.b3lyp_6-31g(d).nwchem.inp (generated) 000852100.b3lyp_6-31g(d).log.xz 000852100.td-b3lyp_6-31g+(d).inp 000852100.td-b3lyp_6-31g+(d).log.xz

000852100.td-b3lyp_6-31+g(d).qchem.inp (generated)

000852100.td-b3lyp_6-31+g(d).gjf (generated)

000852100.td-b3lyp_6-31+g(d).firefly.inp (generated)

000852100.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000852100.mol 000852100.PUBCHEM 000852100.mol (via Jmol)
000852172.b3lyp_6-31g(d).inp

000852172.b3lyp_6-31g(d).qchem.inp (generated)

000852172.b3lyp_6-31g(d).gjf (generated)

000852172.b3lyp_6-31g(d).firefly.inp (generated)

000852172.b3lyp_6-31g(d).smash.inp (generated)

000852172.b3lyp_6-31g(d).nwchem.inp (generated) 000852172.b3lyp_6-31g(d).log.xz 000852172.td-b3lyp_6-31g+(d).inp 000852172.td-b3lyp_6-31g+(d).log.xz

000852172.td-b3lyp_6-31+g(d).qchem.inp (generated)

000852172.td-b3lyp_6-31+g(d).gjf (generated)

000852172.td-b3lyp_6-31+g(d).firefly.inp (generated)

000852172.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000852172.mol 000852172.PUBCHEM 000852172.mol (via Jmol)
000852174.b3lyp_6-31g(d).inp

000852174.b3lyp_6-31g(d).qchem.inp (generated)

000852174.b3lyp_6-31g(d).gjf (generated)

000852174.b3lyp_6-31g(d).firefly.inp (generated)

000852174.b3lyp_6-31g(d).smash.inp (generated)

000852174.b3lyp_6-31g(d).nwchem.inp (generated) 000852174.b3lyp_6-31g(d).log.xz 000852174.td-b3lyp_6-31g+(d).inp 000852174.td-b3lyp_6-31g+(d).log.xz

000852174.td-b3lyp_6-31+g(d).qchem.inp (generated)

000852174.td-b3lyp_6-31+g(d).gjf (generated)

000852174.td-b3lyp_6-31+g(d).firefly.inp (generated)

000852174.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000852174.mol 000852174.PUBCHEM 000852174.mol (via Jmol)
000852175.b3lyp_6-31g(d).inp

000852175.b3lyp_6-31g(d).qchem.inp (generated)

000852175.b3lyp_6-31g(d).gjf (generated)

000852175.b3lyp_6-31g(d).firefly.inp (generated)

000852175.b3lyp_6-31g(d).smash.inp (generated)

000852175.b3lyp_6-31g(d).nwchem.inp (generated) 000852175.b3lyp_6-31g(d).log.xz 000852175.td-b3lyp_6-31g+(d).inp 000852175.td-b3lyp_6-31g+(d).log.xz

000852175.td-b3lyp_6-31+g(d).qchem.inp (generated)

000852175.td-b3lyp_6-31+g(d).gjf (generated)

000852175.td-b3lyp_6-31+g(d).firefly.inp (generated)

000852175.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000852175.mol 000852175.PUBCHEM 000852175.mol (via Jmol)
000852176.b3lyp_6-31g(d).inp

000852176.b3lyp_6-31g(d).qchem.inp (generated)

000852176.b3lyp_6-31g(d).gjf (generated)

000852176.b3lyp_6-31g(d).firefly.inp (generated)

000852176.b3lyp_6-31g(d).smash.inp (generated)

000852176.b3lyp_6-31g(d).nwchem.inp (generated) 000852176.b3lyp_6-31g(d).log.xz 000852176.td-b3lyp_6-31g+(d).inp 000852176.td-b3lyp_6-31g+(d).log.xz

000852176.td-b3lyp_6-31+g(d).qchem.inp (generated)

000852176.td-b3lyp_6-31+g(d).gjf (generated)

000852176.td-b3lyp_6-31+g(d).firefly.inp (generated)

000852176.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000852176.mol 000852176.PUBCHEM 000852176.mol (via Jmol)
000852177.b3lyp_6-31g(d).inp

000852177.b3lyp_6-31g(d).qchem.inp (generated)

000852177.b3lyp_6-31g(d).gjf (generated)

000852177.b3lyp_6-31g(d).firefly.inp (generated)

000852177.b3lyp_6-31g(d).smash.inp (generated)

000852177.b3lyp_6-31g(d).nwchem.inp (generated) 000852177.b3lyp_6-31g(d).log.xz 000852177.td-b3lyp_6-31g+(d).inp 000852177.td-b3lyp_6-31g+(d).log.xz

000852177.td-b3lyp_6-31+g(d).qchem.inp (generated)

000852177.td-b3lyp_6-31+g(d).gjf (generated)

000852177.td-b3lyp_6-31+g(d).firefly.inp (generated)

000852177.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000852177.mol 000852177.PUBCHEM 000852177.mol (via Jmol)
000852178.b3lyp_6-31g(d).inp

000852178.b3lyp_6-31g(d).qchem.inp (generated)

000852178.b3lyp_6-31g(d).gjf (generated)

000852178.b3lyp_6-31g(d).firefly.inp (generated)

000852178.b3lyp_6-31g(d).smash.inp (generated)

000852178.b3lyp_6-31g(d).nwchem.inp (generated) 000852178.b3lyp_6-31g(d).log.xz 000852178.td-b3lyp_6-31g+(d).inp 000852178.td-b3lyp_6-31g+(d).log.xz

000852178.td-b3lyp_6-31+g(d).qchem.inp (generated)

000852178.td-b3lyp_6-31+g(d).gjf (generated)

000852178.td-b3lyp_6-31+g(d).firefly.inp (generated)

000852178.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000852178.mol 000852178.PUBCHEM 000852178.mol (via Jmol)
000852246.b3lyp_6-31g(d).inp

000852246.b3lyp_6-31g(d).qchem.inp (generated)

000852246.b3lyp_6-31g(d).gjf (generated)

000852246.b3lyp_6-31g(d).firefly.inp (generated)

000852246.b3lyp_6-31g(d).smash.inp (generated)

000852246.b3lyp_6-31g(d).nwchem.inp (generated) 000852246.b3lyp_6-31g(d).log.xz 000852246.td-b3lyp_6-31g+(d).inp 000852246.td-b3lyp_6-31g+(d).log.xz

000852246.td-b3lyp_6-31+g(d).qchem.inp (generated)

000852246.td-b3lyp_6-31+g(d).gjf (generated)

000852246.td-b3lyp_6-31+g(d).firefly.inp (generated)

000852246.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000852246.mol 000852246.PUBCHEM 000852246.mol (via Jmol)
000852344.b3lyp_6-31g(d).inp

000852344.b3lyp_6-31g(d).qchem.inp (generated)

000852344.b3lyp_6-31g(d).gjf (generated)

000852344.b3lyp_6-31g(d).firefly.inp (generated)

000852344.b3lyp_6-31g(d).smash.inp (generated)

000852344.b3lyp_6-31g(d).nwchem.inp (generated) 000852344.b3lyp_6-31g(d).log.xz 000852344.mol 000852344.PUBCHEM 000852344.mol (via Jmol)
000852345.b3lyp_6-31g(d).inp

000852345.b3lyp_6-31g(d).qchem.inp (generated)

000852345.b3lyp_6-31g(d).gjf (generated)

000852345.b3lyp_6-31g(d).firefly.inp (generated)

000852345.b3lyp_6-31g(d).smash.inp (generated)

000852345.b3lyp_6-31g(d).nwchem.inp (generated) 000852345.b3lyp_6-31g(d).log.xz 000852345.td-b3lyp_6-31g+(d).inp 000852345.td-b3lyp_6-31g+(d).log.xz

000852345.td-b3lyp_6-31+g(d).qchem.inp (generated)

000852345.td-b3lyp_6-31+g(d).gjf (generated)

000852345.td-b3lyp_6-31+g(d).firefly.inp (generated)

000852345.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000852345.mol 000852345.PUBCHEM 000852345.mol (via Jmol)
000852375.b3lyp_6-31g(d).inp

000852375.b3lyp_6-31g(d).qchem.inp (generated)

000852375.b3lyp_6-31g(d).gjf (generated)

000852375.b3lyp_6-31g(d).firefly.inp (generated)

000852375.b3lyp_6-31g(d).smash.inp (generated)

000852375.b3lyp_6-31g(d).nwchem.inp (generated) 000852375.b3lyp_6-31g(d).log.xz 000852375.td-b3lyp_6-31g+(d).inp 000852375.td-b3lyp_6-31g+(d).log.xz

000852375.td-b3lyp_6-31+g(d).qchem.inp (generated)

000852375.td-b3lyp_6-31+g(d).gjf (generated)

000852375.td-b3lyp_6-31+g(d).firefly.inp (generated)

000852375.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000852375.mol 000852375.PUBCHEM 000852375.mol (via Jmol)
000852381.b3lyp_6-31g(d).inp

000852381.b3lyp_6-31g(d).qchem.inp (generated)

000852381.b3lyp_6-31g(d).gjf (generated)

000852381.b3lyp_6-31g(d).firefly.inp (generated)

000852381.b3lyp_6-31g(d).smash.inp (generated)

000852381.b3lyp_6-31g(d).nwchem.inp (generated) 000852381.b3lyp_6-31g(d).log.xz 000852381.td-b3lyp_6-31g+(d).inp 000852381.td-b3lyp_6-31g+(d).log.xz

000852381.td-b3lyp_6-31+g(d).qchem.inp (generated)

000852381.td-b3lyp_6-31+g(d).gjf (generated)

000852381.td-b3lyp_6-31+g(d).firefly.inp (generated)

000852381.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000852381.mol 000852381.PUBCHEM 000852381.mol (via Jmol)
000852393.b3lyp_6-31g(d).inp

000852393.b3lyp_6-31g(d).qchem.inp (generated)

000852393.b3lyp_6-31g(d).gjf (generated)

000852393.b3lyp_6-31g(d).firefly.inp (generated)

000852393.b3lyp_6-31g(d).smash.inp (generated)

000852393.b3lyp_6-31g(d).nwchem.inp (generated) 000852393.b3lyp_6-31g(d).log.xz 000852393.td-b3lyp_6-31g+(d).inp 000852393.td-b3lyp_6-31g+(d).log.xz

000852393.td-b3lyp_6-31+g(d).qchem.inp (generated)

000852393.td-b3lyp_6-31+g(d).gjf (generated)

000852393.td-b3lyp_6-31+g(d).firefly.inp (generated)

000852393.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000852393.mol 000852393.PUBCHEM 000852393.mol (via Jmol)
000852399.b3lyp_6-31g(d).inp

000852399.b3lyp_6-31g(d).qchem.inp (generated)

000852399.b3lyp_6-31g(d).gjf (generated)

000852399.b3lyp_6-31g(d).firefly.inp (generated)

000852399.b3lyp_6-31g(d).smash.inp (generated)

000852399.b3lyp_6-31g(d).nwchem.inp (generated) 000852399.b3lyp_6-31g(d).log.xz 000852399.td-b3lyp_6-31g+(d).inp 000852399.td-b3lyp_6-31g+(d).log.xz

000852399.td-b3lyp_6-31+g(d).qchem.inp (generated)

000852399.td-b3lyp_6-31+g(d).gjf (generated)

000852399.td-b3lyp_6-31+g(d).firefly.inp (generated)

000852399.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000852399.mol 000852399.PUBCHEM 000852399.mol (via Jmol)
000852403.b3lyp_6-31g(d).inp

000852403.b3lyp_6-31g(d).qchem.inp (generated)

000852403.b3lyp_6-31g(d).gjf (generated)

000852403.b3lyp_6-31g(d).firefly.inp (generated)

000852403.b3lyp_6-31g(d).smash.inp (generated)

000852403.b3lyp_6-31g(d).nwchem.inp (generated) 000852403.b3lyp_6-31g(d).log.xz 000852403.td-b3lyp_6-31g+(d).inp 000852403.td-b3lyp_6-31g+(d).log.xz

000852403.td-b3lyp_6-31+g(d).qchem.inp (generated)

000852403.td-b3lyp_6-31+g(d).gjf (generated)

000852403.td-b3lyp_6-31+g(d).firefly.inp (generated)

000852403.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000852403.mol 000852403.PUBCHEM 000852403.mol (via Jmol)
000852424.b3lyp_6-31g(d).inp

000852424.b3lyp_6-31g(d).qchem.inp (generated)

000852424.b3lyp_6-31g(d).gjf (generated)

000852424.b3lyp_6-31g(d).firefly.inp (generated)

000852424.b3lyp_6-31g(d).smash.inp (generated)

000852424.b3lyp_6-31g(d).nwchem.inp (generated) 000852424.b3lyp_6-31g(d).log.xz 000852424.mol 000852424.PUBCHEM 000852424.mol (via Jmol)
000852435.b3lyp_6-31g(d).inp

000852435.b3lyp_6-31g(d).qchem.inp (generated)

000852435.b3lyp_6-31g(d).gjf (generated)

000852435.b3lyp_6-31g(d).firefly.inp (generated)

000852435.b3lyp_6-31g(d).smash.inp (generated)

000852435.b3lyp_6-31g(d).nwchem.inp (generated) 000852435.b3lyp_6-31g(d).log.xz 000852435.td-b3lyp_6-31g+(d).inp 000852435.td-b3lyp_6-31g+(d).log.xz

000852435.td-b3lyp_6-31+g(d).qchem.inp (generated)

000852435.td-b3lyp_6-31+g(d).gjf (generated)

000852435.td-b3lyp_6-31+g(d).firefly.inp (generated)

000852435.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000852435.mol 000852435.PUBCHEM 000852435.mol (via Jmol)
000852437.b3lyp_6-31g(d).inp

000852437.b3lyp_6-31g(d).qchem.inp (generated)

000852437.b3lyp_6-31g(d).gjf (generated)

000852437.b3lyp_6-31g(d).firefly.inp (generated)

000852437.b3lyp_6-31g(d).smash.inp (generated)

000852437.b3lyp_6-31g(d).nwchem.inp (generated) 000852437.b3lyp_6-31g(d).log.xz 000852437.td-b3lyp_6-31g+(d).inp 000852437.td-b3lyp_6-31g+(d).log.xz

000852437.td-b3lyp_6-31+g(d).qchem.inp (generated)

000852437.td-b3lyp_6-31+g(d).gjf (generated)

000852437.td-b3lyp_6-31+g(d).firefly.inp (generated)

000852437.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000852437.mol 000852437.PUBCHEM 000852437.mol (via Jmol)
000852440.b3lyp_6-31g(d).inp

000852440.b3lyp_6-31g(d).qchem.inp (generated)

000852440.b3lyp_6-31g(d).gjf (generated)

000852440.b3lyp_6-31g(d).firefly.inp (generated)

000852440.b3lyp_6-31g(d).smash.inp (generated)

000852440.b3lyp_6-31g(d).nwchem.inp (generated) 000852440.b3lyp_6-31g(d).log.xz 000852440.td-b3lyp_6-31g+(d).inp 000852440.td-b3lyp_6-31g+(d).log.xz

000852440.td-b3lyp_6-31+g(d).qchem.inp (generated)

000852440.td-b3lyp_6-31+g(d).gjf (generated)

000852440.td-b3lyp_6-31+g(d).firefly.inp (generated)

000852440.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000852440.mol 000852440.PUBCHEM 000852440.mol (via Jmol)
000852441.b3lyp_6-31g(d).inp

000852441.b3lyp_6-31g(d).qchem.inp (generated)

000852441.b3lyp_6-31g(d).gjf (generated)

000852441.b3lyp_6-31g(d).firefly.inp (generated)

000852441.b3lyp_6-31g(d).smash.inp (generated)

000852441.b3lyp_6-31g(d).nwchem.inp (generated) 000852441.b3lyp_6-31g(d).log.xz 000852441.td-b3lyp_6-31g+(d).inp 000852441.td-b3lyp_6-31g+(d).log.xz

000852441.td-b3lyp_6-31+g(d).qchem.inp (generated)

000852441.td-b3lyp_6-31+g(d).gjf (generated)

000852441.td-b3lyp_6-31+g(d).firefly.inp (generated)

000852441.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000852441.mol 000852441.PUBCHEM 000852441.mol (via Jmol)
000852442.b3lyp_6-31g(d).inp

000852442.b3lyp_6-31g(d).qchem.inp (generated)

000852442.b3lyp_6-31g(d).gjf (generated)

000852442.b3lyp_6-31g(d).firefly.inp (generated)

000852442.b3lyp_6-31g(d).smash.inp (generated)

000852442.b3lyp_6-31g(d).nwchem.inp (generated) 000852442.b3lyp_6-31g(d).log.xz 000852442.td-b3lyp_6-31g+(d).inp 000852442.td-b3lyp_6-31g+(d).log.xz

000852442.td-b3lyp_6-31+g(d).qchem.inp (generated)

000852442.td-b3lyp_6-31+g(d).gjf (generated)

000852442.td-b3lyp_6-31+g(d).firefly.inp (generated)

000852442.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000852442.mol 000852442.PUBCHEM 000852442.mol (via Jmol)
000852443.b3lyp_6-31g(d).inp

000852443.b3lyp_6-31g(d).qchem.inp (generated)

000852443.b3lyp_6-31g(d).gjf (generated)

000852443.b3lyp_6-31g(d).firefly.inp (generated)

000852443.b3lyp_6-31g(d).smash.inp (generated)

000852443.b3lyp_6-31g(d).nwchem.inp (generated) 000852443.b3lyp_6-31g(d).log.xz 000852443.td-b3lyp_6-31g+(d).inp 000852443.td-b3lyp_6-31g+(d).log.xz

000852443.td-b3lyp_6-31+g(d).qchem.inp (generated)

000852443.td-b3lyp_6-31+g(d).gjf (generated)

000852443.td-b3lyp_6-31+g(d).firefly.inp (generated)

000852443.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000852443.mol 000852443.PUBCHEM 000852443.mol (via Jmol)
000852447.b3lyp_6-31g(d).inp

000852447.b3lyp_6-31g(d).qchem.inp (generated)

000852447.b3lyp_6-31g(d).gjf (generated)

000852447.b3lyp_6-31g(d).firefly.inp (generated)

000852447.b3lyp_6-31g(d).smash.inp (generated)

000852447.b3lyp_6-31g(d).nwchem.inp (generated) 000852447.b3lyp_6-31g(d).log.xz 000852447.td-b3lyp_6-31g+(d).inp 000852447.td-b3lyp_6-31g+(d).log.xz

000852447.td-b3lyp_6-31+g(d).qchem.inp (generated)

000852447.td-b3lyp_6-31+g(d).gjf (generated)

000852447.td-b3lyp_6-31+g(d).firefly.inp (generated)

000852447.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000852447.mol 000852447.PUBCHEM 000852447.mol (via Jmol)
000852467.b3lyp_6-31g(d).inp

000852467.b3lyp_6-31g(d).qchem.inp (generated)

000852467.b3lyp_6-31g(d).gjf (generated)

000852467.b3lyp_6-31g(d).firefly.inp (generated)

000852467.b3lyp_6-31g(d).smash.inp (generated)

000852467.b3lyp_6-31g(d).nwchem.inp (generated) 000852467.b3lyp_6-31g(d).log.xz 000852467.td-b3lyp_6-31g+(d).inp 000852467.td-b3lyp_6-31g+(d).log.xz

000852467.td-b3lyp_6-31+g(d).qchem.inp (generated)

000852467.td-b3lyp_6-31+g(d).gjf (generated)

000852467.td-b3lyp_6-31+g(d).firefly.inp (generated)

000852467.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000852467.mol 000852467.PUBCHEM 000852467.mol (via Jmol)
000852469.b3lyp_6-31g(d).inp

000852469.b3lyp_6-31g(d).qchem.inp (generated)

000852469.b3lyp_6-31g(d).gjf (generated)

000852469.b3lyp_6-31g(d).firefly.inp (generated)

000852469.b3lyp_6-31g(d).smash.inp (generated)

000852469.b3lyp_6-31g(d).nwchem.inp (generated) 000852469.b3lyp_6-31g(d).log.xz 000852469.td-b3lyp_6-31g+(d).inp 000852469.td-b3lyp_6-31g+(d).log.xz

000852469.td-b3lyp_6-31+g(d).qchem.inp (generated)

000852469.td-b3lyp_6-31+g(d).gjf (generated)

000852469.td-b3lyp_6-31+g(d).firefly.inp (generated)

000852469.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000852469.mol 000852469.PUBCHEM 000852469.mol (via Jmol)
000852476.b3lyp_6-31g(d).inp

000852476.b3lyp_6-31g(d).qchem.inp (generated)

000852476.b3lyp_6-31g(d).gjf (generated)

000852476.b3lyp_6-31g(d).firefly.inp (generated)

000852476.b3lyp_6-31g(d).smash.inp (generated)

000852476.b3lyp_6-31g(d).nwchem.inp (generated) 000852476.b3lyp_6-31g(d).log.xz 000852476.td-b3lyp_6-31g+(d).inp 000852476.td-b3lyp_6-31g+(d).log.xz

000852476.td-b3lyp_6-31+g(d).qchem.inp (generated)

000852476.td-b3lyp_6-31+g(d).gjf (generated)

000852476.td-b3lyp_6-31+g(d).firefly.inp (generated)

000852476.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000852476.mol 000852476.PUBCHEM 000852476.mol (via Jmol)
000852477.b3lyp_6-31g(d).inp

000852477.b3lyp_6-31g(d).qchem.inp (generated)

000852477.b3lyp_6-31g(d).gjf (generated)

000852477.b3lyp_6-31g(d).firefly.inp (generated)

000852477.b3lyp_6-31g(d).smash.inp (generated)

000852477.b3lyp_6-31g(d).nwchem.inp (generated) 000852477.b3lyp_6-31g(d).log.xz 000852477.td-b3lyp_6-31g+(d).inp 000852477.td-b3lyp_6-31g+(d).log.xz

000852477.td-b3lyp_6-31+g(d).qchem.inp (generated)

000852477.td-b3lyp_6-31+g(d).gjf (generated)

000852477.td-b3lyp_6-31+g(d).firefly.inp (generated)

000852477.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000852477.mol 000852477.PUBCHEM 000852477.mol (via Jmol)
000852478.b3lyp_6-31g(d).inp

000852478.b3lyp_6-31g(d).qchem.inp (generated)

000852478.b3lyp_6-31g(d).gjf (generated)

000852478.b3lyp_6-31g(d).firefly.inp (generated)

000852478.b3lyp_6-31g(d).smash.inp (generated)

000852478.b3lyp_6-31g(d).nwchem.inp (generated) 000852478.b3lyp_6-31g(d).log.xz 000852478.td-b3lyp_6-31g+(d).inp 000852478.td-b3lyp_6-31g+(d).log.xz

000852478.td-b3lyp_6-31+g(d).qchem.inp (generated)

000852478.td-b3lyp_6-31+g(d).gjf (generated)

000852478.td-b3lyp_6-31+g(d).firefly.inp (generated)

000852478.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000852478.mol 000852478.PUBCHEM 000852478.mol (via Jmol)
000852480.b3lyp_6-31g(d).inp

000852480.b3lyp_6-31g(d).qchem.inp (generated)

000852480.b3lyp_6-31g(d).gjf (generated)

000852480.b3lyp_6-31g(d).firefly.inp (generated)

000852480.b3lyp_6-31g(d).smash.inp (generated)

000852480.b3lyp_6-31g(d).nwchem.inp (generated) 000852480.b3lyp_6-31g(d).log.xz 000852480.td-b3lyp_6-31g+(d).inp 000852480.td-b3lyp_6-31g+(d).log.xz

000852480.td-b3lyp_6-31+g(d).qchem.inp (generated)

000852480.td-b3lyp_6-31+g(d).gjf (generated)

000852480.td-b3lyp_6-31+g(d).firefly.inp (generated)

000852480.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000852480.mol 000852480.PUBCHEM 000852480.mol (via Jmol)
000852483.b3lyp_6-31g(d).inp

000852483.b3lyp_6-31g(d).qchem.inp (generated)

000852483.b3lyp_6-31g(d).gjf (generated)

000852483.b3lyp_6-31g(d).firefly.inp (generated)

000852483.b3lyp_6-31g(d).smash.inp (generated)

000852483.b3lyp_6-31g(d).nwchem.inp (generated) 000852483.b3lyp_6-31g(d).log.xz 000852483.td-b3lyp_6-31g+(d).inp 000852483.td-b3lyp_6-31g+(d).log.xz

000852483.td-b3lyp_6-31+g(d).qchem.inp (generated)

000852483.td-b3lyp_6-31+g(d).gjf (generated)

000852483.td-b3lyp_6-31+g(d).firefly.inp (generated)

000852483.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000852483.mol 000852483.PUBCHEM 000852483.mol (via Jmol)
000852486.b3lyp_6-31g(d).inp

000852486.b3lyp_6-31g(d).qchem.inp (generated)

000852486.b3lyp_6-31g(d).gjf (generated)

000852486.b3lyp_6-31g(d).firefly.inp (generated)

000852486.b3lyp_6-31g(d).smash.inp (generated)

000852486.b3lyp_6-31g(d).nwchem.inp (generated) 000852486.b3lyp_6-31g(d).log.xz 000852486.mol 000852486.PUBCHEM 000852486.mol (via Jmol)
000852489.b3lyp_6-31g(d).inp

000852489.b3lyp_6-31g(d).qchem.inp (generated)

000852489.b3lyp_6-31g(d).gjf (generated)

000852489.b3lyp_6-31g(d).firefly.inp (generated)

000852489.b3lyp_6-31g(d).smash.inp (generated)

000852489.b3lyp_6-31g(d).nwchem.inp (generated) 000852489.b3lyp_6-31g(d).log.xz 000852489.mol 000852489.PUBCHEM 000852489.mol (via Jmol)
000852492.b3lyp_6-31g(d).inp

000852492.b3lyp_6-31g(d).qchem.inp (generated)

000852492.b3lyp_6-31g(d).gjf (generated)

000852492.b3lyp_6-31g(d).firefly.inp (generated)

000852492.b3lyp_6-31g(d).smash.inp (generated)

000852492.b3lyp_6-31g(d).nwchem.inp (generated) 000852492.b3lyp_6-31g(d).log.xz 000852492.td-b3lyp_6-31g+(d).inp 000852492.td-b3lyp_6-31g+(d).log.xz

000852492.td-b3lyp_6-31+g(d).qchem.inp (generated)

000852492.td-b3lyp_6-31+g(d).gjf (generated)

000852492.td-b3lyp_6-31+g(d).firefly.inp (generated)

000852492.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000852492.mol 000852492.PUBCHEM 000852492.mol (via Jmol)
000852496.b3lyp_6-31g(d).inp

000852496.b3lyp_6-31g(d).qchem.inp (generated)

000852496.b3lyp_6-31g(d).gjf (generated)

000852496.b3lyp_6-31g(d).firefly.inp (generated)

000852496.b3lyp_6-31g(d).smash.inp (generated)

000852496.b3lyp_6-31g(d).nwchem.inp (generated) 000852496.b3lyp_6-31g(d).log.xz 000852496.td-b3lyp_6-31g+(d).inp 000852496.td-b3lyp_6-31g+(d).log.xz

000852496.td-b3lyp_6-31+g(d).qchem.inp (generated)

000852496.td-b3lyp_6-31+g(d).gjf (generated)

000852496.td-b3lyp_6-31+g(d).firefly.inp (generated)

000852496.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000852496.mol 000852496.PUBCHEM 000852496.mol (via Jmol)
000852498.b3lyp_6-31g(d).inp

000852498.b3lyp_6-31g(d).qchem.inp (generated)

000852498.b3lyp_6-31g(d).gjf (generated)

000852498.b3lyp_6-31g(d).firefly.inp (generated)

000852498.b3lyp_6-31g(d).smash.inp (generated)

000852498.b3lyp_6-31g(d).nwchem.inp (generated) 000852498.b3lyp_6-31g(d).log.xz 000852498.td-b3lyp_6-31g+(d).inp 000852498.td-b3lyp_6-31g+(d).log.xz

000852498.td-b3lyp_6-31+g(d).qchem.inp (generated)

000852498.td-b3lyp_6-31+g(d).gjf (generated)

000852498.td-b3lyp_6-31+g(d).firefly.inp (generated)

000852498.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000852498.mol 000852498.PUBCHEM 000852498.mol (via Jmol)
000852532.b3lyp_6-31g(d).inp

000852532.b3lyp_6-31g(d).qchem.inp (generated)

000852532.b3lyp_6-31g(d).gjf (generated)

000852532.b3lyp_6-31g(d).firefly.inp (generated)

000852532.b3lyp_6-31g(d).smash.inp (generated)

000852532.b3lyp_6-31g(d).nwchem.inp (generated) 000852532.b3lyp_6-31g(d).log.xz 000852532.td-b3lyp_6-31g+(d).inp 000852532.td-b3lyp_6-31g+(d).log.xz

000852532.td-b3lyp_6-31+g(d).qchem.inp (generated)

000852532.td-b3lyp_6-31+g(d).gjf (generated)

000852532.td-b3lyp_6-31+g(d).firefly.inp (generated)

000852532.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000852532.mol 000852532.PUBCHEM 000852532.mol (via Jmol)
000852533.b3lyp_6-31g(d).inp

000852533.b3lyp_6-31g(d).qchem.inp (generated)

000852533.b3lyp_6-31g(d).gjf (generated)

000852533.b3lyp_6-31g(d).firefly.inp (generated)

000852533.b3lyp_6-31g(d).smash.inp (generated)

000852533.b3lyp_6-31g(d).nwchem.inp (generated) 000852533.b3lyp_6-31g(d).log.xz 000852533.td-b3lyp_6-31g+(d).inp 000852533.td-b3lyp_6-31g+(d).log.xz

000852533.td-b3lyp_6-31+g(d).qchem.inp (generated)

000852533.td-b3lyp_6-31+g(d).gjf (generated)

000852533.td-b3lyp_6-31+g(d).firefly.inp (generated)

000852533.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000852533.mol 000852533.PUBCHEM 000852533.mol (via Jmol)
000852539.b3lyp_6-31g(d).inp

000852539.b3lyp_6-31g(d).qchem.inp (generated)

000852539.b3lyp_6-31g(d).gjf (generated)

000852539.b3lyp_6-31g(d).firefly.inp (generated)

000852539.b3lyp_6-31g(d).smash.inp (generated)

000852539.b3lyp_6-31g(d).nwchem.inp (generated) 000852539.b3lyp_6-31g(d).log.xz 000852539.td-b3lyp_6-31g+(d).inp 000852539.td-b3lyp_6-31g+(d).log.xz

000852539.td-b3lyp_6-31+g(d).qchem.inp (generated)

000852539.td-b3lyp_6-31+g(d).gjf (generated)

000852539.td-b3lyp_6-31+g(d).firefly.inp (generated)

000852539.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000852539.mol 000852539.PUBCHEM 000852539.mol (via Jmol)
000852541.b3lyp_6-31g(d).inp

000852541.b3lyp_6-31g(d).qchem.inp (generated)

000852541.b3lyp_6-31g(d).gjf (generated)

000852541.b3lyp_6-31g(d).firefly.inp (generated)

000852541.b3lyp_6-31g(d).smash.inp (generated)

000852541.b3lyp_6-31g(d).nwchem.inp (generated) 000852541.b3lyp_6-31g(d).log.xz 000852541.td-b3lyp_6-31g+(d).inp 000852541.td-b3lyp_6-31g+(d).log.xz

000852541.td-b3lyp_6-31+g(d).qchem.inp (generated)

000852541.td-b3lyp_6-31+g(d).gjf (generated)

000852541.td-b3lyp_6-31+g(d).firefly.inp (generated)

000852541.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000852541.mol 000852541.PUBCHEM 000852541.mol (via Jmol)
000852546.b3lyp_6-31g(d).inp

000852546.b3lyp_6-31g(d).qchem.inp (generated)

000852546.b3lyp_6-31g(d).gjf (generated)

000852546.b3lyp_6-31g(d).firefly.inp (generated)

000852546.b3lyp_6-31g(d).smash.inp (generated)

000852546.b3lyp_6-31g(d).nwchem.inp (generated) 000852546.b3lyp_6-31g(d).log.xz 000852546.td-b3lyp_6-31g+(d).inp 000852546.td-b3lyp_6-31g+(d).log.xz

000852546.td-b3lyp_6-31+g(d).qchem.inp (generated)

000852546.td-b3lyp_6-31+g(d).gjf (generated)

000852546.td-b3lyp_6-31+g(d).firefly.inp (generated)

000852546.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000852546.mol 000852546.PUBCHEM 000852546.mol (via Jmol)
000852564.b3lyp_6-31g(d).inp

000852564.b3lyp_6-31g(d).qchem.inp (generated)

000852564.b3lyp_6-31g(d).gjf (generated)

000852564.b3lyp_6-31g(d).firefly.inp (generated)

000852564.b3lyp_6-31g(d).smash.inp (generated)

000852564.b3lyp_6-31g(d).nwchem.inp (generated) 000852564.b3lyp_6-31g(d).log.xz 000852564.td-b3lyp_6-31g+(d).inp 000852564.td-b3lyp_6-31g+(d).log.xz

000852564.td-b3lyp_6-31+g(d).qchem.inp (generated)

000852564.td-b3lyp_6-31+g(d).gjf (generated)

000852564.td-b3lyp_6-31+g(d).firefly.inp (generated)

000852564.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000852564.mol 000852564.PUBCHEM 000852564.mol (via Jmol)
000852566.b3lyp_6-31g(d).inp

000852566.b3lyp_6-31g(d).qchem.inp (generated)

000852566.b3lyp_6-31g(d).gjf (generated)

000852566.b3lyp_6-31g(d).firefly.inp (generated)

000852566.b3lyp_6-31g(d).smash.inp (generated)

000852566.b3lyp_6-31g(d).nwchem.inp (generated) 000852566.b3lyp_6-31g(d).log.xz 000852566.td-b3lyp_6-31g+(d).inp 000852566.td-b3lyp_6-31g+(d).log.xz

000852566.td-b3lyp_6-31+g(d).qchem.inp (generated)

000852566.td-b3lyp_6-31+g(d).gjf (generated)

000852566.td-b3lyp_6-31+g(d).firefly.inp (generated)

000852566.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000852566.mol 000852566.PUBCHEM 000852566.mol (via Jmol)
000852567.b3lyp_6-31g(d).inp

000852567.b3lyp_6-31g(d).qchem.inp (generated)

000852567.b3lyp_6-31g(d).gjf (generated)

000852567.b3lyp_6-31g(d).firefly.inp (generated)

000852567.b3lyp_6-31g(d).smash.inp (generated)

000852567.b3lyp_6-31g(d).nwchem.inp (generated) 000852567.b3lyp_6-31g(d).log.xz 000852567.td-b3lyp_6-31g+(d).inp 000852567.td-b3lyp_6-31g+(d).log.xz

000852567.td-b3lyp_6-31+g(d).qchem.inp (generated)

000852567.td-b3lyp_6-31+g(d).gjf (generated)

000852567.td-b3lyp_6-31+g(d).firefly.inp (generated)

000852567.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000852567.mol 000852567.PUBCHEM 000852567.mol (via Jmol)
000852568.b3lyp_6-31g(d).inp

000852568.b3lyp_6-31g(d).qchem.inp (generated)

000852568.b3lyp_6-31g(d).gjf (generated)

000852568.b3lyp_6-31g(d).firefly.inp (generated)

000852568.b3lyp_6-31g(d).smash.inp (generated)

000852568.b3lyp_6-31g(d).nwchem.inp (generated) 000852568.b3lyp_6-31g(d).log.xz 000852568.td-b3lyp_6-31g+(d).inp 000852568.td-b3lyp_6-31g+(d).log.xz

000852568.td-b3lyp_6-31+g(d).qchem.inp (generated)

000852568.td-b3lyp_6-31+g(d).gjf (generated)

000852568.td-b3lyp_6-31+g(d).firefly.inp (generated)

000852568.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000852568.mol 000852568.PUBCHEM 000852568.mol (via Jmol)
000852570.b3lyp_6-31g(d).inp

000852570.b3lyp_6-31g(d).qchem.inp (generated)

000852570.b3lyp_6-31g(d).gjf (generated)

000852570.b3lyp_6-31g(d).firefly.inp (generated)

000852570.b3lyp_6-31g(d).smash.inp (generated)

000852570.b3lyp_6-31g(d).nwchem.inp (generated) 000852570.b3lyp_6-31g(d).log.xz 000852570.td-b3lyp_6-31g+(d).inp 000852570.td-b3lyp_6-31g+(d).log.xz

000852570.td-b3lyp_6-31+g(d).qchem.inp (generated)

000852570.td-b3lyp_6-31+g(d).gjf (generated)

000852570.td-b3lyp_6-31+g(d).firefly.inp (generated)

000852570.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000852570.mol 000852570.PUBCHEM 000852570.mol (via Jmol)
000852571.b3lyp_6-31g(d).inp

000852571.b3lyp_6-31g(d).qchem.inp (generated)

000852571.b3lyp_6-31g(d).gjf (generated)

000852571.b3lyp_6-31g(d).firefly.inp (generated)

000852571.b3lyp_6-31g(d).smash.inp (generated)

000852571.b3lyp_6-31g(d).nwchem.inp (generated) 000852571.b3lyp_6-31g(d).log.xz 000852571.td-b3lyp_6-31g+(d).inp 000852571.td-b3lyp_6-31g+(d).log.xz

000852571.td-b3lyp_6-31+g(d).qchem.inp (generated)

000852571.td-b3lyp_6-31+g(d).gjf (generated)

000852571.td-b3lyp_6-31+g(d).firefly.inp (generated)

000852571.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000852571.mol 000852571.PUBCHEM 000852571.mol (via Jmol)
000852577.b3lyp_6-31g(d).inp

000852577.b3lyp_6-31g(d).qchem.inp (generated)

000852577.b3lyp_6-31g(d).gjf (generated)

000852577.b3lyp_6-31g(d).firefly.inp (generated)

000852577.b3lyp_6-31g(d).smash.inp (generated)

000852577.b3lyp_6-31g(d).nwchem.inp (generated) 000852577.b3lyp_6-31g(d).log.xz 000852577.td-b3lyp_6-31g+(d).inp 000852577.td-b3lyp_6-31g+(d).log.xz

000852577.td-b3lyp_6-31+g(d).qchem.inp (generated)

000852577.td-b3lyp_6-31+g(d).gjf (generated)

000852577.td-b3lyp_6-31+g(d).firefly.inp (generated)

000852577.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000852577.mol 000852577.PUBCHEM 000852577.mol (via Jmol)
000852579.b3lyp_6-31g(d).inp

000852579.b3lyp_6-31g(d).qchem.inp (generated)

000852579.b3lyp_6-31g(d).gjf (generated)

000852579.b3lyp_6-31g(d).firefly.inp (generated)

000852579.b3lyp_6-31g(d).smash.inp (generated)

000852579.b3lyp_6-31g(d).nwchem.inp (generated) 000852579.b3lyp_6-31g(d).log.xz 000852579.td-b3lyp_6-31g+(d).inp 000852579.td-b3lyp_6-31g+(d).log.xz

000852579.td-b3lyp_6-31+g(d).qchem.inp (generated)

000852579.td-b3lyp_6-31+g(d).gjf (generated)

000852579.td-b3lyp_6-31+g(d).firefly.inp (generated)

000852579.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000852579.mol 000852579.PUBCHEM 000852579.mol (via Jmol)
000852580.b3lyp_6-31g(d).inp

000852580.b3lyp_6-31g(d).qchem.inp (generated)

000852580.b3lyp_6-31g(d).gjf (generated)

000852580.b3lyp_6-31g(d).firefly.inp (generated)

000852580.b3lyp_6-31g(d).smash.inp (generated)

000852580.b3lyp_6-31g(d).nwchem.inp (generated) 000852580.b3lyp_6-31g(d).log.xz 000852580.td-b3lyp_6-31g+(d).inp 000852580.td-b3lyp_6-31g+(d).log.xz

000852580.td-b3lyp_6-31+g(d).qchem.inp (generated)

000852580.td-b3lyp_6-31+g(d).gjf (generated)

000852580.td-b3lyp_6-31+g(d).firefly.inp (generated)

000852580.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000852580.mol 000852580.PUBCHEM 000852580.mol (via Jmol)
000852636.b3lyp_6-31g(d).inp

000852636.b3lyp_6-31g(d).qchem.inp (generated)

000852636.b3lyp_6-31g(d).gjf (generated)

000852636.b3lyp_6-31g(d).firefly.inp (generated)

000852636.b3lyp_6-31g(d).smash.inp (generated)

000852636.b3lyp_6-31g(d).nwchem.inp (generated) 000852636.b3lyp_6-31g(d).log.xz 000852636.mol 000852636.PUBCHEM 000852636.mol (via Jmol)
000852637.b3lyp_6-31g(d).inp

000852637.b3lyp_6-31g(d).qchem.inp (generated)

000852637.b3lyp_6-31g(d).gjf (generated)

000852637.b3lyp_6-31g(d).firefly.inp (generated)

000852637.b3lyp_6-31g(d).smash.inp (generated)

000852637.b3lyp_6-31g(d).nwchem.inp (generated) 000852637.b3lyp_6-31g(d).log.xz 000852637.td-b3lyp_6-31g+(d).inp 000852637.td-b3lyp_6-31g+(d).log.xz

000852637.td-b3lyp_6-31+g(d).qchem.inp (generated)

000852637.td-b3lyp_6-31+g(d).gjf (generated)

000852637.td-b3lyp_6-31+g(d).firefly.inp (generated)

000852637.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000852637.mol 000852637.PUBCHEM 000852637.mol (via Jmol)
000852674.b3lyp_6-31g(d).inp

000852674.b3lyp_6-31g(d).qchem.inp (generated)

000852674.b3lyp_6-31g(d).gjf (generated)

000852674.b3lyp_6-31g(d).firefly.inp (generated)

000852674.b3lyp_6-31g(d).smash.inp (generated)

000852674.b3lyp_6-31g(d).nwchem.inp (generated) 000852674.b3lyp_6-31g(d).log.xz 000852674.td-b3lyp_6-31g+(d).inp 000852674.td-b3lyp_6-31g+(d).log.xz

000852674.td-b3lyp_6-31+g(d).qchem.inp (generated)

000852674.td-b3lyp_6-31+g(d).gjf (generated)

000852674.td-b3lyp_6-31+g(d).firefly.inp (generated)

000852674.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000852674.mol 000852674.PUBCHEM 000852674.mol (via Jmol)
000852676.b3lyp_6-31g(d).inp

000852676.b3lyp_6-31g(d).qchem.inp (generated)

000852676.b3lyp_6-31g(d).gjf (generated)

000852676.b3lyp_6-31g(d).firefly.inp (generated)

000852676.b3lyp_6-31g(d).smash.inp (generated)

000852676.b3lyp_6-31g(d).nwchem.inp (generated) 000852676.b3lyp_6-31g(d).log.xz 000852676.td-b3lyp_6-31g+(d).inp 000852676.td-b3lyp_6-31g+(d).log.xz

000852676.td-b3lyp_6-31+g(d).qchem.inp (generated)

000852676.td-b3lyp_6-31+g(d).gjf (generated)

000852676.td-b3lyp_6-31+g(d).firefly.inp (generated)

000852676.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000852676.mol 000852676.PUBCHEM 000852676.mol (via Jmol)
000852677.b3lyp_6-31g(d).inp

000852677.b3lyp_6-31g(d).qchem.inp (generated)

000852677.b3lyp_6-31g(d).gjf (generated)

000852677.b3lyp_6-31g(d).firefly.inp (generated)

000852677.b3lyp_6-31g(d).smash.inp (generated)

000852677.b3lyp_6-31g(d).nwchem.inp (generated) 000852677.b3lyp_6-31g(d).log.xz 000852677.td-b3lyp_6-31g+(d).inp 000852677.td-b3lyp_6-31g+(d).log.xz

000852677.td-b3lyp_6-31+g(d).qchem.inp (generated)

000852677.td-b3lyp_6-31+g(d).gjf (generated)

000852677.td-b3lyp_6-31+g(d).firefly.inp (generated)

000852677.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000852677.mol 000852677.PUBCHEM 000852677.mol (via Jmol)
000852681.b3lyp_6-31g(d).inp

000852681.b3lyp_6-31g(d).qchem.inp (generated)

000852681.b3lyp_6-31g(d).gjf (generated)

000852681.b3lyp_6-31g(d).firefly.inp (generated)

000852681.b3lyp_6-31g(d).smash.inp (generated)

000852681.b3lyp_6-31g(d).nwchem.inp (generated) 000852681.b3lyp_6-31g(d).log.xz 000852681.mol 000852681.PUBCHEM 000852681.mol (via Jmol)
000852682.b3lyp_6-31g(d).inp

000852682.b3lyp_6-31g(d).qchem.inp (generated)

000852682.b3lyp_6-31g(d).gjf (generated)

000852682.b3lyp_6-31g(d).firefly.inp (generated)

000852682.b3lyp_6-31g(d).smash.inp (generated)

000852682.b3lyp_6-31g(d).nwchem.inp (generated) 000852682.b3lyp_6-31g(d).log.xz 000852682.mol 000852682.PUBCHEM 000852682.mol (via Jmol)
000852683.b3lyp_6-31g(d).inp

000852683.b3lyp_6-31g(d).qchem.inp (generated)

000852683.b3lyp_6-31g(d).gjf (generated)

000852683.b3lyp_6-31g(d).firefly.inp (generated)

000852683.b3lyp_6-31g(d).smash.inp (generated)

000852683.b3lyp_6-31g(d).nwchem.inp (generated) 000852683.b3lyp_6-31g(d).log.xz 000852683.mol 000852683.PUBCHEM 000852683.mol (via Jmol)
000852684.b3lyp_6-31g(d).inp

000852684.b3lyp_6-31g(d).qchem.inp (generated)

000852684.b3lyp_6-31g(d).gjf (generated)

000852684.b3lyp_6-31g(d).firefly.inp (generated)

000852684.b3lyp_6-31g(d).smash.inp (generated)

000852684.b3lyp_6-31g(d).nwchem.inp (generated) 000852684.b3lyp_6-31g(d).log.xz 000852684.td-b3lyp_6-31g+(d).inp 000852684.td-b3lyp_6-31g+(d).log.xz

000852684.td-b3lyp_6-31+g(d).qchem.inp (generated)

000852684.td-b3lyp_6-31+g(d).gjf (generated)

000852684.td-b3lyp_6-31+g(d).firefly.inp (generated)

000852684.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000852684.mol 000852684.PUBCHEM 000852684.mol (via Jmol)
000852685.b3lyp_6-31g(d).inp

000852685.b3lyp_6-31g(d).qchem.inp (generated)

000852685.b3lyp_6-31g(d).gjf (generated)

000852685.b3lyp_6-31g(d).firefly.inp (generated)

000852685.b3lyp_6-31g(d).smash.inp (generated)

000852685.b3lyp_6-31g(d).nwchem.inp (generated) 000852685.b3lyp_6-31g(d).log.xz 000852685.td-b3lyp_6-31g+(d).inp 000852685.td-b3lyp_6-31g+(d).log.xz

000852685.td-b3lyp_6-31+g(d).qchem.inp (generated)

000852685.td-b3lyp_6-31+g(d).gjf (generated)

000852685.td-b3lyp_6-31+g(d).firefly.inp (generated)

000852685.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000852685.mol 000852685.PUBCHEM 000852685.mol (via Jmol)
000852688.b3lyp_6-31g(d).inp

000852688.b3lyp_6-31g(d).qchem.inp (generated)

000852688.b3lyp_6-31g(d).gjf (generated)

000852688.b3lyp_6-31g(d).firefly.inp (generated)

000852688.b3lyp_6-31g(d).smash.inp (generated)

000852688.b3lyp_6-31g(d).nwchem.inp (generated) 000852688.b3lyp_6-31g(d).log.xz 000852688.td-b3lyp_6-31g+(d).inp 000852688.td-b3lyp_6-31g+(d).log.xz

000852688.td-b3lyp_6-31+g(d).qchem.inp (generated)

000852688.td-b3lyp_6-31+g(d).gjf (generated)

000852688.td-b3lyp_6-31+g(d).firefly.inp (generated)

000852688.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000852688.mol 000852688.PUBCHEM 000852688.mol (via Jmol)
000852689.b3lyp_6-31g(d).inp

000852689.b3lyp_6-31g(d).qchem.inp (generated)

000852689.b3lyp_6-31g(d).gjf (generated)

000852689.b3lyp_6-31g(d).firefly.inp (generated)

000852689.b3lyp_6-31g(d).smash.inp (generated)

000852689.b3lyp_6-31g(d).nwchem.inp (generated) 000852689.b3lyp_6-31g(d).log.xz 000852689.td-b3lyp_6-31g+(d).inp 000852689.td-b3lyp_6-31g+(d).log.xz

000852689.td-b3lyp_6-31+g(d).qchem.inp (generated)

000852689.td-b3lyp_6-31+g(d).gjf (generated)

000852689.td-b3lyp_6-31+g(d).firefly.inp (generated)

000852689.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000852689.mol 000852689.PUBCHEM 000852689.mol (via Jmol)
000852691.b3lyp_6-31g(d).inp

000852691.b3lyp_6-31g(d).qchem.inp (generated)

000852691.b3lyp_6-31g(d).gjf (generated)

000852691.b3lyp_6-31g(d).firefly.inp (generated)

000852691.b3lyp_6-31g(d).smash.inp (generated)

000852691.b3lyp_6-31g(d).nwchem.inp (generated) 000852691.b3lyp_6-31g(d).log.xz 000852691.td-b3lyp_6-31g+(d).inp 000852691.td-b3lyp_6-31g+(d).log.xz

000852691.td-b3lyp_6-31+g(d).qchem.inp (generated)

000852691.td-b3lyp_6-31+g(d).gjf (generated)

000852691.td-b3lyp_6-31+g(d).firefly.inp (generated)

000852691.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000852691.mol 000852691.PUBCHEM 000852691.mol (via Jmol)
000852692.b3lyp_6-31g(d).inp

000852692.b3lyp_6-31g(d).qchem.inp (generated)

000852692.b3lyp_6-31g(d).gjf (generated)

000852692.b3lyp_6-31g(d).firefly.inp (generated)

000852692.b3lyp_6-31g(d).smash.inp (generated)

000852692.b3lyp_6-31g(d).nwchem.inp (generated) 000852692.b3lyp_6-31g(d).log.xz 000852692.td-b3lyp_6-31g+(d).inp 000852692.td-b3lyp_6-31g+(d).log.xz

000852692.td-b3lyp_6-31+g(d).qchem.inp (generated)

000852692.td-b3lyp_6-31+g(d).gjf (generated)

000852692.td-b3lyp_6-31+g(d).firefly.inp (generated)

000852692.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000852692.mol 000852692.PUBCHEM 000852692.mol (via Jmol)
000852695.b3lyp_6-31g(d).inp

000852695.b3lyp_6-31g(d).qchem.inp (generated)

000852695.b3lyp_6-31g(d).gjf (generated)

000852695.b3lyp_6-31g(d).firefly.inp (generated)

000852695.b3lyp_6-31g(d).smash.inp (generated)

000852695.b3lyp_6-31g(d).nwchem.inp (generated) 000852695.b3lyp_6-31g(d).log.xz 000852695.td-b3lyp_6-31g+(d).inp 000852695.td-b3lyp_6-31g+(d).log.xz

000852695.td-b3lyp_6-31+g(d).qchem.inp (generated)

000852695.td-b3lyp_6-31+g(d).gjf (generated)

000852695.td-b3lyp_6-31+g(d).firefly.inp (generated)

000852695.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000852695.mol 000852695.PUBCHEM 000852695.mol (via Jmol)
000852696.b3lyp_6-31g(d).inp

000852696.b3lyp_6-31g(d).qchem.inp (generated)

000852696.b3lyp_6-31g(d).gjf (generated)

000852696.b3lyp_6-31g(d).firefly.inp (generated)

000852696.b3lyp_6-31g(d).smash.inp (generated)

000852696.b3lyp_6-31g(d).nwchem.inp (generated) 000852696.b3lyp_6-31g(d).log.xz 000852696.td-b3lyp_6-31g+(d).inp 000852696.td-b3lyp_6-31g+(d).log.xz

000852696.td-b3lyp_6-31+g(d).qchem.inp (generated)

000852696.td-b3lyp_6-31+g(d).gjf (generated)

000852696.td-b3lyp_6-31+g(d).firefly.inp (generated)

000852696.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000852696.mol 000852696.PUBCHEM 000852696.mol (via Jmol)
000852720.b3lyp_6-31g(d).inp

000852720.b3lyp_6-31g(d).qchem.inp (generated)

000852720.b3lyp_6-31g(d).gjf (generated)

000852720.b3lyp_6-31g(d).firefly.inp (generated)

000852720.b3lyp_6-31g(d).smash.inp (generated)

000852720.b3lyp_6-31g(d).nwchem.inp (generated) 000852720.b3lyp_6-31g(d).log.xz 000852720.td-b3lyp_6-31g+(d).inp 000852720.td-b3lyp_6-31g+(d).log.xz

000852720.td-b3lyp_6-31+g(d).qchem.inp (generated)

000852720.td-b3lyp_6-31+g(d).gjf (generated)

000852720.td-b3lyp_6-31+g(d).firefly.inp (generated)

000852720.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000852720.mol 000852720.PUBCHEM 000852720.mol (via Jmol)
000852721.b3lyp_6-31g(d).inp

000852721.b3lyp_6-31g(d).qchem.inp (generated)

000852721.b3lyp_6-31g(d).gjf (generated)

000852721.b3lyp_6-31g(d).firefly.inp (generated)

000852721.b3lyp_6-31g(d).smash.inp (generated)

000852721.b3lyp_6-31g(d).nwchem.inp (generated) 000852721.b3lyp_6-31g(d).log.xz 000852721.td-b3lyp_6-31g+(d).inp 000852721.td-b3lyp_6-31g+(d).log.xz

000852721.td-b3lyp_6-31+g(d).qchem.inp (generated)

000852721.td-b3lyp_6-31+g(d).gjf (generated)

000852721.td-b3lyp_6-31+g(d).firefly.inp (generated)

000852721.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000852721.mol 000852721.PUBCHEM 000852721.mol (via Jmol)
000852722.b3lyp_6-31g(d).inp

000852722.b3lyp_6-31g(d).qchem.inp (generated)

000852722.b3lyp_6-31g(d).gjf (generated)

000852722.b3lyp_6-31g(d).firefly.inp (generated)

000852722.b3lyp_6-31g(d).smash.inp (generated)

000852722.b3lyp_6-31g(d).nwchem.inp (generated) 000852722.b3lyp_6-31g(d).log.xz 000852722.td-b3lyp_6-31g+(d).inp 000852722.td-b3lyp_6-31g+(d).log.xz

000852722.td-b3lyp_6-31+g(d).qchem.inp (generated)

000852722.td-b3lyp_6-31+g(d).gjf (generated)

000852722.td-b3lyp_6-31+g(d).firefly.inp (generated)

000852722.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000852722.mol 000852722.PUBCHEM 000852722.mol (via Jmol)
000852723.b3lyp_6-31g(d).inp

000852723.b3lyp_6-31g(d).qchem.inp (generated)

000852723.b3lyp_6-31g(d).gjf (generated)

000852723.b3lyp_6-31g(d).firefly.inp (generated)

000852723.b3lyp_6-31g(d).smash.inp (generated)

000852723.b3lyp_6-31g(d).nwchem.inp (generated) 000852723.b3lyp_6-31g(d).log.xz 000852723.td-b3lyp_6-31g+(d).inp 000852723.td-b3lyp_6-31g+(d).log.xz

000852723.td-b3lyp_6-31+g(d).qchem.inp (generated)

000852723.td-b3lyp_6-31+g(d).gjf (generated)

000852723.td-b3lyp_6-31+g(d).firefly.inp (generated)

000852723.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000852723.mol 000852723.PUBCHEM 000852723.mol (via Jmol)
000852735.b3lyp_6-31g(d).inp

000852735.b3lyp_6-31g(d).qchem.inp (generated)

000852735.b3lyp_6-31g(d).gjf (generated)

000852735.b3lyp_6-31g(d).firefly.inp (generated)

000852735.b3lyp_6-31g(d).smash.inp (generated)

000852735.b3lyp_6-31g(d).nwchem.inp (generated) 000852735.b3lyp_6-31g(d).log.xz 000852735.td-b3lyp_6-31g+(d).inp 000852735.td-b3lyp_6-31g+(d).log.xz

000852735.td-b3lyp_6-31+g(d).qchem.inp (generated)

000852735.td-b3lyp_6-31+g(d).gjf (generated)

000852735.td-b3lyp_6-31+g(d).firefly.inp (generated)

000852735.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000852735.mol 000852735.PUBCHEM 000852735.mol (via Jmol)
000852738.b3lyp_6-31g(d).inp

000852738.b3lyp_6-31g(d).qchem.inp (generated)

000852738.b3lyp_6-31g(d).gjf (generated)

000852738.b3lyp_6-31g(d).firefly.inp (generated)

000852738.b3lyp_6-31g(d).smash.inp (generated)

000852738.b3lyp_6-31g(d).nwchem.inp (generated) 000852738.b3lyp_6-31g(d).log.xz 000852738.td-b3lyp_6-31g+(d).inp 000852738.td-b3lyp_6-31g+(d).log.xz

000852738.td-b3lyp_6-31+g(d).qchem.inp (generated)

000852738.td-b3lyp_6-31+g(d).gjf (generated)

000852738.td-b3lyp_6-31+g(d).firefly.inp (generated)

000852738.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000852738.mol 000852738.PUBCHEM 000852738.mol (via Jmol)
000852749.b3lyp_6-31g(d).inp

000852749.b3lyp_6-31g(d).qchem.inp (generated)

000852749.b3lyp_6-31g(d).gjf (generated)

000852749.b3lyp_6-31g(d).firefly.inp (generated)

000852749.b3lyp_6-31g(d).smash.inp (generated)

000852749.b3lyp_6-31g(d).nwchem.inp (generated) 000852749.b3lyp_6-31g(d).log.xz 000852749.td-b3lyp_6-31g+(d).inp 000852749.td-b3lyp_6-31g+(d).log.xz

000852749.td-b3lyp_6-31+g(d).qchem.inp (generated)

000852749.td-b3lyp_6-31+g(d).gjf (generated)

000852749.td-b3lyp_6-31+g(d).firefly.inp (generated)

000852749.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000852749.mol 000852749.PUBCHEM 000852749.mol (via Jmol)
000852750.b3lyp_6-31g(d).inp

000852750.b3lyp_6-31g(d).qchem.inp (generated)

000852750.b3lyp_6-31g(d).gjf (generated)

000852750.b3lyp_6-31g(d).firefly.inp (generated)

000852750.b3lyp_6-31g(d).smash.inp (generated)

000852750.b3lyp_6-31g(d).nwchem.inp (generated) 000852750.b3lyp_6-31g(d).log.xz 000852750.td-b3lyp_6-31g+(d).inp 000852750.td-b3lyp_6-31g+(d).log.xz

000852750.td-b3lyp_6-31+g(d).qchem.inp (generated)

000852750.td-b3lyp_6-31+g(d).gjf (generated)

000852750.td-b3lyp_6-31+g(d).firefly.inp (generated)

000852750.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000852750.mol 000852750.PUBCHEM 000852750.mol (via Jmol)
000852754.b3lyp_6-31g(d).inp

000852754.b3lyp_6-31g(d).qchem.inp (generated)

000852754.b3lyp_6-31g(d).gjf (generated)

000852754.b3lyp_6-31g(d).firefly.inp (generated)

000852754.b3lyp_6-31g(d).smash.inp (generated)

000852754.b3lyp_6-31g(d).nwchem.inp (generated) 000852754.b3lyp_6-31g(d).log.xz 000852754.td-b3lyp_6-31g+(d).inp 000852754.td-b3lyp_6-31g+(d).log.xz

000852754.td-b3lyp_6-31+g(d).qchem.inp (generated)

000852754.td-b3lyp_6-31+g(d).gjf (generated)

000852754.td-b3lyp_6-31+g(d).firefly.inp (generated)

000852754.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000852754.mol 000852754.PUBCHEM 000852754.mol (via Jmol)
000852755.b3lyp_6-31g(d).inp

000852755.b3lyp_6-31g(d).qchem.inp (generated)

000852755.b3lyp_6-31g(d).gjf (generated)

000852755.b3lyp_6-31g(d).firefly.inp (generated)

000852755.b3lyp_6-31g(d).smash.inp (generated)

000852755.b3lyp_6-31g(d).nwchem.inp (generated) 000852755.b3lyp_6-31g(d).log.xz 000852755.td-b3lyp_6-31g+(d).inp 000852755.td-b3lyp_6-31g+(d).log.xz

000852755.td-b3lyp_6-31+g(d).qchem.inp (generated)

000852755.td-b3lyp_6-31+g(d).gjf (generated)

000852755.td-b3lyp_6-31+g(d).firefly.inp (generated)

000852755.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000852755.mol 000852755.PUBCHEM 000852755.mol (via Jmol)
000852758.b3lyp_6-31g(d).inp

000852758.b3lyp_6-31g(d).qchem.inp (generated)

000852758.b3lyp_6-31g(d).gjf (generated)

000852758.b3lyp_6-31g(d).firefly.inp (generated)

000852758.b3lyp_6-31g(d).smash.inp (generated)

000852758.b3lyp_6-31g(d).nwchem.inp (generated) 000852758.b3lyp_6-31g(d).log.xz 000852758.td-b3lyp_6-31g+(d).inp 000852758.td-b3lyp_6-31g+(d).log.xz

000852758.td-b3lyp_6-31+g(d).qchem.inp (generated)

000852758.td-b3lyp_6-31+g(d).gjf (generated)

000852758.td-b3lyp_6-31+g(d).firefly.inp (generated)

000852758.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000852758.mol 000852758.PUBCHEM 000852758.mol (via Jmol)
000852759.b3lyp_6-31g(d).inp

000852759.b3lyp_6-31g(d).qchem.inp (generated)

000852759.b3lyp_6-31g(d).gjf (generated)

000852759.b3lyp_6-31g(d).firefly.inp (generated)

000852759.b3lyp_6-31g(d).smash.inp (generated)

000852759.b3lyp_6-31g(d).nwchem.inp (generated) 000852759.b3lyp_6-31g(d).log.xz 000852759.td-b3lyp_6-31g+(d).inp 000852759.td-b3lyp_6-31g+(d).log.xz

000852759.td-b3lyp_6-31+g(d).qchem.inp (generated)

000852759.td-b3lyp_6-31+g(d).gjf (generated)

000852759.td-b3lyp_6-31+g(d).firefly.inp (generated)

000852759.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000852759.mol 000852759.PUBCHEM 000852759.mol (via Jmol)
000852760.b3lyp_6-31g(d).inp

000852760.b3lyp_6-31g(d).qchem.inp (generated)

000852760.b3lyp_6-31g(d).gjf (generated)

000852760.b3lyp_6-31g(d).firefly.inp (generated)

000852760.b3lyp_6-31g(d).smash.inp (generated)

000852760.b3lyp_6-31g(d).nwchem.inp (generated) 000852760.b3lyp_6-31g(d).log.xz 000852760.mol 000852760.PUBCHEM 000852760.mol (via Jmol)
000852763.b3lyp_6-31g(d).inp

000852763.b3lyp_6-31g(d).qchem.inp (generated)

000852763.b3lyp_6-31g(d).gjf (generated)

000852763.b3lyp_6-31g(d).firefly.inp (generated)

000852763.b3lyp_6-31g(d).smash.inp (generated)

000852763.b3lyp_6-31g(d).nwchem.inp (generated) 000852763.b3lyp_6-31g(d).log.xz 000852763.td-b3lyp_6-31g+(d).inp 000852763.td-b3lyp_6-31g+(d).log.xz

000852763.td-b3lyp_6-31+g(d).qchem.inp (generated)

000852763.td-b3lyp_6-31+g(d).gjf (generated)

000852763.td-b3lyp_6-31+g(d).firefly.inp (generated)

000852763.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000852763.mol 000852763.PUBCHEM 000852763.mol (via Jmol)
000852768.b3lyp_6-31g(d).inp

000852768.b3lyp_6-31g(d).qchem.inp (generated)

000852768.b3lyp_6-31g(d).gjf (generated)

000852768.b3lyp_6-31g(d).firefly.inp (generated)

000852768.b3lyp_6-31g(d).smash.inp (generated)

000852768.b3lyp_6-31g(d).nwchem.inp (generated) 000852768.b3lyp_6-31g(d).log.xz 000852768.td-b3lyp_6-31g+(d).inp 000852768.td-b3lyp_6-31g+(d).log.xz

000852768.td-b3lyp_6-31+g(d).qchem.inp (generated)

000852768.td-b3lyp_6-31+g(d).gjf (generated)

000852768.td-b3lyp_6-31+g(d).firefly.inp (generated)

000852768.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000852768.mol 000852768.PUBCHEM 000852768.mol (via Jmol)
000852780.b3lyp_6-31g(d).inp

000852780.b3lyp_6-31g(d).qchem.inp (generated)

000852780.b3lyp_6-31g(d).gjf (generated)

000852780.b3lyp_6-31g(d).firefly.inp (generated)

000852780.b3lyp_6-31g(d).smash.inp (generated)

000852780.b3lyp_6-31g(d).nwchem.inp (generated) 000852780.b3lyp_6-31g(d).log.xz 000852780.td-b3lyp_6-31g+(d).inp 000852780.td-b3lyp_6-31g+(d).log.xz

000852780.td-b3lyp_6-31+g(d).qchem.inp (generated)

000852780.td-b3lyp_6-31+g(d).gjf (generated)

000852780.td-b3lyp_6-31+g(d).firefly.inp (generated)

000852780.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000852780.mol 000852780.PUBCHEM 000852780.mol (via Jmol)
000852782.b3lyp_6-31g(d).inp

000852782.b3lyp_6-31g(d).qchem.inp (generated)

000852782.b3lyp_6-31g(d).gjf (generated)

000852782.b3lyp_6-31g(d).firefly.inp (generated)

000852782.b3lyp_6-31g(d).smash.inp (generated)

000852782.b3lyp_6-31g(d).nwchem.inp (generated) 000852782.b3lyp_6-31g(d).log.xz 000852782.td-b3lyp_6-31g+(d).inp 000852782.td-b3lyp_6-31g+(d).log.xz

000852782.td-b3lyp_6-31+g(d).qchem.inp (generated)

000852782.td-b3lyp_6-31+g(d).gjf (generated)

000852782.td-b3lyp_6-31+g(d).firefly.inp (generated)

000852782.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000852782.mol 000852782.PUBCHEM 000852782.mol (via Jmol)
000852783.b3lyp_6-31g(d).inp

000852783.b3lyp_6-31g(d).qchem.inp (generated)

000852783.b3lyp_6-31g(d).gjf (generated)

000852783.b3lyp_6-31g(d).firefly.inp (generated)

000852783.b3lyp_6-31g(d).smash.inp (generated)

000852783.b3lyp_6-31g(d).nwchem.inp (generated) 000852783.b3lyp_6-31g(d).log.xz 000852783.td-b3lyp_6-31g+(d).inp 000852783.td-b3lyp_6-31g+(d).log.xz

000852783.td-b3lyp_6-31+g(d).qchem.inp (generated)

000852783.td-b3lyp_6-31+g(d).gjf (generated)

000852783.td-b3lyp_6-31+g(d).firefly.inp (generated)

000852783.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000852783.mol 000852783.PUBCHEM 000852783.mol (via Jmol)
000852795.b3lyp_6-31g(d).inp

000852795.b3lyp_6-31g(d).qchem.inp (generated)

000852795.b3lyp_6-31g(d).gjf (generated)

000852795.b3lyp_6-31g(d).firefly.inp (generated)

000852795.b3lyp_6-31g(d).smash.inp (generated)

000852795.b3lyp_6-31g(d).nwchem.inp (generated) 000852795.b3lyp_6-31g(d).log.xz 000852795.mol 000852795.PUBCHEM 000852795.mol (via Jmol)
000852807.b3lyp_6-31g(d).inp

000852807.b3lyp_6-31g(d).qchem.inp (generated)

000852807.b3lyp_6-31g(d).gjf (generated)

000852807.b3lyp_6-31g(d).firefly.inp (generated)

000852807.b3lyp_6-31g(d).smash.inp (generated)

000852807.b3lyp_6-31g(d).nwchem.inp (generated) 000852807.b3lyp_6-31g(d).log.xz 000852807.td-b3lyp_6-31g+(d).inp 000852807.td-b3lyp_6-31g+(d).log.xz

000852807.td-b3lyp_6-31+g(d).qchem.inp (generated)

000852807.td-b3lyp_6-31+g(d).gjf (generated)

000852807.td-b3lyp_6-31+g(d).firefly.inp (generated)

000852807.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000852807.mol 000852807.PUBCHEM 000852807.mol (via Jmol)
000852822.b3lyp_6-31g(d).inp

000852822.b3lyp_6-31g(d).qchem.inp (generated)

000852822.b3lyp_6-31g(d).gjf (generated)

000852822.b3lyp_6-31g(d).firefly.inp (generated)

000852822.b3lyp_6-31g(d).smash.inp (generated)

000852822.b3lyp_6-31g(d).nwchem.inp (generated) 000852822.b3lyp_6-31g(d).log.xz 000852822.td-b3lyp_6-31g+(d).inp 000852822.td-b3lyp_6-31g+(d).log.xz

000852822.td-b3lyp_6-31+g(d).qchem.inp (generated)

000852822.td-b3lyp_6-31+g(d).gjf (generated)

000852822.td-b3lyp_6-31+g(d).firefly.inp (generated)

000852822.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000852822.mol 000852822.PUBCHEM 000852822.mol (via Jmol)
000852826.b3lyp_6-31g(d).inp

000852826.b3lyp_6-31g(d).qchem.inp (generated)

000852826.b3lyp_6-31g(d).gjf (generated)

000852826.b3lyp_6-31g(d).firefly.inp (generated)

000852826.b3lyp_6-31g(d).smash.inp (generated)

000852826.b3lyp_6-31g(d).nwchem.inp (generated) 000852826.b3lyp_6-31g(d).log.xz 000852826.td-b3lyp_6-31g+(d).inp 000852826.td-b3lyp_6-31g+(d).log.xz

000852826.td-b3lyp_6-31+g(d).qchem.inp (generated)

000852826.td-b3lyp_6-31+g(d).gjf (generated)

000852826.td-b3lyp_6-31+g(d).firefly.inp (generated)

000852826.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000852826.mol 000852826.PUBCHEM 000852826.mol (via Jmol)
000852844.b3lyp_6-31g(d).inp

000852844.b3lyp_6-31g(d).qchem.inp (generated)

000852844.b3lyp_6-31g(d).gjf (generated)

000852844.b3lyp_6-31g(d).firefly.inp (generated)

000852844.b3lyp_6-31g(d).smash.inp (generated)

000852844.b3lyp_6-31g(d).nwchem.inp (generated) 000852844.b3lyp_6-31g(d).log.xz 000852844.td-b3lyp_6-31g+(d).inp 000852844.td-b3lyp_6-31g+(d).log.xz

000852844.td-b3lyp_6-31+g(d).qchem.inp (generated)

000852844.td-b3lyp_6-31+g(d).gjf (generated)

000852844.td-b3lyp_6-31+g(d).firefly.inp (generated)

000852844.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000852844.mol 000852844.PUBCHEM 000852844.mol (via Jmol)
000852858.b3lyp_6-31g(d).inp

000852858.b3lyp_6-31g(d).qchem.inp (generated)

000852858.b3lyp_6-31g(d).gjf (generated)

000852858.b3lyp_6-31g(d).firefly.inp (generated)

000852858.b3lyp_6-31g(d).smash.inp (generated)

000852858.b3lyp_6-31g(d).nwchem.inp (generated) 000852858.b3lyp_6-31g(d).log.xz 000852858.td-b3lyp_6-31g+(d).inp 000852858.td-b3lyp_6-31g+(d).log.xz

000852858.td-b3lyp_6-31+g(d).qchem.inp (generated)

000852858.td-b3lyp_6-31+g(d).gjf (generated)

000852858.td-b3lyp_6-31+g(d).firefly.inp (generated)

000852858.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000852858.mol 000852858.PUBCHEM 000852858.mol (via Jmol)
000852861.b3lyp_6-31g(d).inp

000852861.b3lyp_6-31g(d).qchem.inp (generated)

000852861.b3lyp_6-31g(d).gjf (generated)

000852861.b3lyp_6-31g(d).firefly.inp (generated)

000852861.b3lyp_6-31g(d).smash.inp (generated)

000852861.b3lyp_6-31g(d).nwchem.inp (generated) 000852861.b3lyp_6-31g(d).log.xz 000852861.td-b3lyp_6-31g+(d).inp 000852861.td-b3lyp_6-31g+(d).log.xz

000852861.td-b3lyp_6-31+g(d).qchem.inp (generated)

000852861.td-b3lyp_6-31+g(d).gjf (generated)

000852861.td-b3lyp_6-31+g(d).firefly.inp (generated)

000852861.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000852861.mol 000852861.PUBCHEM 000852861.mol (via Jmol)
000852862.b3lyp_6-31g(d).inp

000852862.b3lyp_6-31g(d).qchem.inp (generated)

000852862.b3lyp_6-31g(d).gjf (generated)

000852862.b3lyp_6-31g(d).firefly.inp (generated)

000852862.b3lyp_6-31g(d).smash.inp (generated)

000852862.b3lyp_6-31g(d).nwchem.inp (generated) 000852862.b3lyp_6-31g(d).log.xz 000852862.td-b3lyp_6-31g+(d).inp 000852862.td-b3lyp_6-31g+(d).log.xz

000852862.td-b3lyp_6-31+g(d).qchem.inp (generated)

000852862.td-b3lyp_6-31+g(d).gjf (generated)

000852862.td-b3lyp_6-31+g(d).firefly.inp (generated)

000852862.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000852862.mol 000852862.PUBCHEM 000852862.mol (via Jmol)
000852867.b3lyp_6-31g(d).inp

000852867.b3lyp_6-31g(d).qchem.inp (generated)

000852867.b3lyp_6-31g(d).gjf (generated)

000852867.b3lyp_6-31g(d).firefly.inp (generated)

000852867.b3lyp_6-31g(d).smash.inp (generated)

000852867.b3lyp_6-31g(d).nwchem.inp (generated) 000852867.b3lyp_6-31g(d).log.xz 000852867.td-b3lyp_6-31g+(d).inp 000852867.td-b3lyp_6-31g+(d).log.xz

000852867.td-b3lyp_6-31+g(d).qchem.inp (generated)

000852867.td-b3lyp_6-31+g(d).gjf (generated)

000852867.td-b3lyp_6-31+g(d).firefly.inp (generated)

000852867.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000852867.mol 000852867.PUBCHEM 000852867.mol (via Jmol)
000852897.b3lyp_6-31g(d).inp

000852897.b3lyp_6-31g(d).qchem.inp (generated)

000852897.b3lyp_6-31g(d).gjf (generated)

000852897.b3lyp_6-31g(d).firefly.inp (generated)

000852897.b3lyp_6-31g(d).smash.inp (generated)

000852897.b3lyp_6-31g(d).nwchem.inp (generated) 000852897.b3lyp_6-31g(d).log.xz 000852897.td-b3lyp_6-31g+(d).inp 000852897.td-b3lyp_6-31g+(d).log.xz

000852897.td-b3lyp_6-31+g(d).qchem.inp (generated)

000852897.td-b3lyp_6-31+g(d).gjf (generated)

000852897.td-b3lyp_6-31+g(d).firefly.inp (generated)

000852897.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000852897.mol 000852897.PUBCHEM 000852897.mol (via Jmol)
000852904.b3lyp_6-31g(d).inp

000852904.b3lyp_6-31g(d).qchem.inp (generated)

000852904.b3lyp_6-31g(d).gjf (generated)

000852904.b3lyp_6-31g(d).firefly.inp (generated)

000852904.b3lyp_6-31g(d).smash.inp (generated)

000852904.b3lyp_6-31g(d).nwchem.inp (generated) 000852904.b3lyp_6-31g(d).log.xz 000852904.td-b3lyp_6-31g+(d).inp 000852904.td-b3lyp_6-31g+(d).log.xz

000852904.td-b3lyp_6-31+g(d).qchem.inp (generated)

000852904.td-b3lyp_6-31+g(d).gjf (generated)

000852904.td-b3lyp_6-31+g(d).firefly.inp (generated)

000852904.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000852904.mol 000852904.PUBCHEM 000852904.mol (via Jmol)
000852913.b3lyp_6-31g(d).inp

000852913.b3lyp_6-31g(d).qchem.inp (generated)

000852913.b3lyp_6-31g(d).gjf (generated)

000852913.b3lyp_6-31g(d).firefly.inp (generated)

000852913.b3lyp_6-31g(d).smash.inp (generated)

000852913.b3lyp_6-31g(d).nwchem.inp (generated) 000852913.b3lyp_6-31g(d).log.xz 000852913.mol 000852913.PUBCHEM 000852913.mol (via Jmol)
000852938.b3lyp_6-31g(d).inp

000852938.b3lyp_6-31g(d).qchem.inp (generated)

000852938.b3lyp_6-31g(d).gjf (generated)

000852938.b3lyp_6-31g(d).firefly.inp (generated)

000852938.b3lyp_6-31g(d).smash.inp (generated)

000852938.b3lyp_6-31g(d).nwchem.inp (generated) 000852938.b3lyp_6-31g(d).log.xz 000852938.td-b3lyp_6-31g+(d).inp 000852938.td-b3lyp_6-31g+(d).log.xz

000852938.td-b3lyp_6-31+g(d).qchem.inp (generated)

000852938.td-b3lyp_6-31+g(d).gjf (generated)

000852938.td-b3lyp_6-31+g(d).firefly.inp (generated)

000852938.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000852938.mol 000852938.PUBCHEM 000852938.mol (via Jmol)
000852939.b3lyp_6-31g(d).inp

000852939.b3lyp_6-31g(d).qchem.inp (generated)

000852939.b3lyp_6-31g(d).gjf (generated)

000852939.b3lyp_6-31g(d).firefly.inp (generated)

000852939.b3lyp_6-31g(d).smash.inp (generated)

000852939.b3lyp_6-31g(d).nwchem.inp (generated) 000852939.b3lyp_6-31g(d).log.xz 000852939.mol 000852939.PUBCHEM 000852939.mol (via Jmol)
000852983.b3lyp_6-31g(d).inp

000852983.b3lyp_6-31g(d).qchem.inp (generated)

000852983.b3lyp_6-31g(d).gjf (generated)

000852983.b3lyp_6-31g(d).firefly.inp (generated)

000852983.b3lyp_6-31g(d).smash.inp (generated)

000852983.b3lyp_6-31g(d).nwchem.inp (generated) 000852983.b3lyp_6-31g(d).log.xz 000852983.td-b3lyp_6-31g+(d).inp 000852983.td-b3lyp_6-31g+(d).log.xz

000852983.td-b3lyp_6-31+g(d).qchem.inp (generated)

000852983.td-b3lyp_6-31+g(d).gjf (generated)

000852983.td-b3lyp_6-31+g(d).firefly.inp (generated)

000852983.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000852983.mol 000852983.PUBCHEM 000852983.mol (via Jmol)
000852984.b3lyp_6-31g(d).inp

000852984.b3lyp_6-31g(d).qchem.inp (generated)

000852984.b3lyp_6-31g(d).gjf (generated)

000852984.b3lyp_6-31g(d).firefly.inp (generated)

000852984.b3lyp_6-31g(d).smash.inp (generated)

000852984.b3lyp_6-31g(d).nwchem.inp (generated) 000852984.b3lyp_6-31g(d).log.xz 000852984.mol 000852984.PUBCHEM 000852984.mol (via Jmol)
000852989.b3lyp_6-31g(d).inp

000852989.b3lyp_6-31g(d).qchem.inp (generated)

000852989.b3lyp_6-31g(d).gjf (generated)

000852989.b3lyp_6-31g(d).firefly.inp (generated)

000852989.b3lyp_6-31g(d).smash.inp (generated)

000852989.b3lyp_6-31g(d).nwchem.inp (generated) 000852989.b3lyp_6-31g(d).log.xz 000852989.mol 000852989.PUBCHEM 000852989.mol (via Jmol)
000852992.b3lyp_6-31g(d).inp

000852992.b3lyp_6-31g(d).qchem.inp (generated)

000852992.b3lyp_6-31g(d).gjf (generated)

000852992.b3lyp_6-31g(d).firefly.inp (generated)

000852992.b3lyp_6-31g(d).smash.inp (generated)

000852992.b3lyp_6-31g(d).nwchem.inp (generated) 000852992.b3lyp_6-31g(d).log.xz 000852992.td-b3lyp_6-31g+(d).inp 000852992.td-b3lyp_6-31g+(d).log.xz

000852992.td-b3lyp_6-31+g(d).qchem.inp (generated)

000852992.td-b3lyp_6-31+g(d).gjf (generated)

000852992.td-b3lyp_6-31+g(d).firefly.inp (generated)

000852992.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000852992.mol 000852992.PUBCHEM 000852992.mol (via Jmol)
000852993.b3lyp_6-31g(d).inp

000852993.b3lyp_6-31g(d).qchem.inp (generated)

000852993.b3lyp_6-31g(d).gjf (generated)

000852993.b3lyp_6-31g(d).firefly.inp (generated)

000852993.b3lyp_6-31g(d).smash.inp (generated)

000852993.b3lyp_6-31g(d).nwchem.inp (generated) 000852993.b3lyp_6-31g(d).log.xz 000852993.td-b3lyp_6-31g+(d).inp 000852993.td-b3lyp_6-31g+(d).log.xz

000852993.td-b3lyp_6-31+g(d).qchem.inp (generated)

000852993.td-b3lyp_6-31+g(d).gjf (generated)

000852993.td-b3lyp_6-31+g(d).firefly.inp (generated)

000852993.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000852993.mol 000852993.PUBCHEM 000852993.mol (via Jmol)
000852996.b3lyp_6-31g(d).inp

000852996.b3lyp_6-31g(d).qchem.inp (generated)

000852996.b3lyp_6-31g(d).gjf (generated)

000852996.b3lyp_6-31g(d).firefly.inp (generated)

000852996.b3lyp_6-31g(d).smash.inp (generated)

000852996.b3lyp_6-31g(d).nwchem.inp (generated) 000852996.b3lyp_6-31g(d).log.xz 000852996.mol 000852996.PUBCHEM 000852996.mol (via Jmol)
000852997.b3lyp_6-31g(d).inp

000852997.b3lyp_6-31g(d).qchem.inp (generated)

000852997.b3lyp_6-31g(d).gjf (generated)

000852997.b3lyp_6-31g(d).firefly.inp (generated)

000852997.b3lyp_6-31g(d).smash.inp (generated)

000852997.b3lyp_6-31g(d).nwchem.inp (generated) 000852997.b3lyp_6-31g(d).log.xz 000852997.td-b3lyp_6-31g+(d).inp 000852997.td-b3lyp_6-31g+(d).log.xz

000852997.td-b3lyp_6-31+g(d).qchem.inp (generated)

000852997.td-b3lyp_6-31+g(d).gjf (generated)

000852997.td-b3lyp_6-31+g(d).firefly.inp (generated)

000852997.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000852997.mol 000852997.PUBCHEM 000852997.mol (via Jmol)
000852998.b3lyp_6-31g(d).inp

000852998.b3lyp_6-31g(d).qchem.inp (generated)

000852998.b3lyp_6-31g(d).gjf (generated)

000852998.b3lyp_6-31g(d).firefly.inp (generated)

000852998.b3lyp_6-31g(d).smash.inp (generated)

000852998.b3lyp_6-31g(d).nwchem.inp (generated) 000852998.b3lyp_6-31g(d).log.xz 000852998.td-b3lyp_6-31g+(d).inp 000852998.td-b3lyp_6-31g+(d).log.xz

000852998.td-b3lyp_6-31+g(d).qchem.inp (generated)

000852998.td-b3lyp_6-31+g(d).gjf (generated)

000852998.td-b3lyp_6-31+g(d).firefly.inp (generated)

000852998.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000852998.mol 000852998.PUBCHEM 000852998.mol (via Jmol)
000853000.b3lyp_6-31g(d).inp

000853000.b3lyp_6-31g(d).qchem.inp (generated)

000853000.b3lyp_6-31g(d).gjf (generated)

000853000.b3lyp_6-31g(d).firefly.inp (generated)

000853000.b3lyp_6-31g(d).smash.inp (generated)

000853000.b3lyp_6-31g(d).nwchem.inp (generated) 000853000.b3lyp_6-31g(d).log.xz 000853000.td-b3lyp_6-31g+(d).inp 000853000.td-b3lyp_6-31g+(d).log.xz

000853000.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853000.td-b3lyp_6-31+g(d).gjf (generated)

000853000.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853000.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853000.mol 000853000.PUBCHEM 000853000.mol (via Jmol)
000853001.b3lyp_6-31g(d).inp

000853001.b3lyp_6-31g(d).qchem.inp (generated)

000853001.b3lyp_6-31g(d).gjf (generated)

000853001.b3lyp_6-31g(d).firefly.inp (generated)

000853001.b3lyp_6-31g(d).smash.inp (generated)

000853001.b3lyp_6-31g(d).nwchem.inp (generated) 000853001.b3lyp_6-31g(d).log.xz 000853001.td-b3lyp_6-31g+(d).inp 000853001.td-b3lyp_6-31g+(d).log.xz

000853001.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853001.td-b3lyp_6-31+g(d).gjf (generated)

000853001.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853001.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853001.mol 000853001.PUBCHEM 000853001.mol (via Jmol)
000853002.b3lyp_6-31g(d).inp

000853002.b3lyp_6-31g(d).qchem.inp (generated)

000853002.b3lyp_6-31g(d).gjf (generated)

000853002.b3lyp_6-31g(d).firefly.inp (generated)

000853002.b3lyp_6-31g(d).smash.inp (generated)

000853002.b3lyp_6-31g(d).nwchem.inp (generated) 000853002.b3lyp_6-31g(d).log.xz 000853002.td-b3lyp_6-31g+(d).inp 000853002.td-b3lyp_6-31g+(d).log.xz

000853002.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853002.td-b3lyp_6-31+g(d).gjf (generated)

000853002.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853002.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853002.mol 000853002.PUBCHEM 000853002.mol (via Jmol)
000853003.b3lyp_6-31g(d).inp

000853003.b3lyp_6-31g(d).qchem.inp (generated)

000853003.b3lyp_6-31g(d).gjf (generated)

000853003.b3lyp_6-31g(d).firefly.inp (generated)

000853003.b3lyp_6-31g(d).smash.inp (generated)

000853003.b3lyp_6-31g(d).nwchem.inp (generated) 000853003.b3lyp_6-31g(d).log.xz 000853003.td-b3lyp_6-31g+(d).inp 000853003.td-b3lyp_6-31g+(d).log.xz

000853003.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853003.td-b3lyp_6-31+g(d).gjf (generated)

000853003.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853003.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853003.mol 000853003.PUBCHEM 000853003.mol (via Jmol)
000853004.b3lyp_6-31g(d).inp

000853004.b3lyp_6-31g(d).qchem.inp (generated)

000853004.b3lyp_6-31g(d).gjf (generated)

000853004.b3lyp_6-31g(d).firefly.inp (generated)

000853004.b3lyp_6-31g(d).smash.inp (generated)

000853004.b3lyp_6-31g(d).nwchem.inp (generated) 000853004.b3lyp_6-31g(d).log.xz 000853004.td-b3lyp_6-31g+(d).inp 000853004.td-b3lyp_6-31g+(d).log.xz

000853004.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853004.td-b3lyp_6-31+g(d).gjf (generated)

000853004.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853004.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853004.mol 000853004.PUBCHEM 000853004.mol (via Jmol)
000853007.b3lyp_6-31g(d).inp

000853007.b3lyp_6-31g(d).qchem.inp (generated)

000853007.b3lyp_6-31g(d).gjf (generated)

000853007.b3lyp_6-31g(d).firefly.inp (generated)

000853007.b3lyp_6-31g(d).smash.inp (generated)

000853007.b3lyp_6-31g(d).nwchem.inp (generated) 000853007.b3lyp_6-31g(d).log.xz 000853007.td-b3lyp_6-31g+(d).inp 000853007.td-b3lyp_6-31g+(d).log.xz

000853007.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853007.td-b3lyp_6-31+g(d).gjf (generated)

000853007.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853007.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853007.mol 000853007.PUBCHEM 000853007.mol (via Jmol)
000853015.b3lyp_6-31g(d).inp

000853015.b3lyp_6-31g(d).qchem.inp (generated)

000853015.b3lyp_6-31g(d).gjf (generated)

000853015.b3lyp_6-31g(d).firefly.inp (generated)

000853015.b3lyp_6-31g(d).smash.inp (generated)

000853015.b3lyp_6-31g(d).nwchem.inp (generated) 000853015.b3lyp_6-31g(d).log.xz 000853015.td-b3lyp_6-31g+(d).inp 000853015.td-b3lyp_6-31g+(d).log.xz

000853015.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853015.td-b3lyp_6-31+g(d).gjf (generated)

000853015.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853015.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853015.mol 000853015.PUBCHEM 000853015.mol (via Jmol)
000853036.b3lyp_6-31g(d).inp

000853036.b3lyp_6-31g(d).qchem.inp (generated)

000853036.b3lyp_6-31g(d).gjf (generated)

000853036.b3lyp_6-31g(d).firefly.inp (generated)

000853036.b3lyp_6-31g(d).smash.inp (generated)

000853036.b3lyp_6-31g(d).nwchem.inp (generated) 000853036.b3lyp_6-31g(d).log.xz 000853036.td-b3lyp_6-31g+(d).inp 000853036.td-b3lyp_6-31g+(d).log.xz

000853036.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853036.td-b3lyp_6-31+g(d).gjf (generated)

000853036.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853036.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853036.mol 000853036.PUBCHEM 000853036.mol (via Jmol)
000853043.b3lyp_6-31g(d).inp

000853043.b3lyp_6-31g(d).qchem.inp (generated)

000853043.b3lyp_6-31g(d).gjf (generated)

000853043.b3lyp_6-31g(d).firefly.inp (generated)

000853043.b3lyp_6-31g(d).smash.inp (generated)

000853043.b3lyp_6-31g(d).nwchem.inp (generated) 000853043.b3lyp_6-31g(d).log.xz 000853043.td-b3lyp_6-31g+(d).inp 000853043.td-b3lyp_6-31g+(d).log.xz

000853043.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853043.td-b3lyp_6-31+g(d).gjf (generated)

000853043.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853043.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853043.mol 000853043.PUBCHEM 000853043.mol (via Jmol)
000853062.b3lyp_6-31g(d).inp

000853062.b3lyp_6-31g(d).qchem.inp (generated)

000853062.b3lyp_6-31g(d).gjf (generated)

000853062.b3lyp_6-31g(d).firefly.inp (generated)

000853062.b3lyp_6-31g(d).smash.inp (generated)

000853062.b3lyp_6-31g(d).nwchem.inp (generated) 000853062.b3lyp_6-31g(d).log.xz 000853062.td-b3lyp_6-31g+(d).inp 000853062.td-b3lyp_6-31g+(d).log.xz

000853062.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853062.td-b3lyp_6-31+g(d).gjf (generated)

000853062.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853062.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853062.mol 000853062.PUBCHEM 000853062.mol (via Jmol)
000853064.b3lyp_6-31g(d).inp

000853064.b3lyp_6-31g(d).qchem.inp (generated)

000853064.b3lyp_6-31g(d).gjf (generated)

000853064.b3lyp_6-31g(d).firefly.inp (generated)

000853064.b3lyp_6-31g(d).smash.inp (generated)

000853064.b3lyp_6-31g(d).nwchem.inp (generated) 000853064.b3lyp_6-31g(d).log.xz 000853064.td-b3lyp_6-31g+(d).inp 000853064.td-b3lyp_6-31g+(d).log.xz

000853064.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853064.td-b3lyp_6-31+g(d).gjf (generated)

000853064.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853064.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853064.mol 000853064.PUBCHEM 000853064.mol (via Jmol)
000853065.b3lyp_6-31g(d).inp

000853065.b3lyp_6-31g(d).qchem.inp (generated)

000853065.b3lyp_6-31g(d).gjf (generated)

000853065.b3lyp_6-31g(d).firefly.inp (generated)

000853065.b3lyp_6-31g(d).smash.inp (generated)

000853065.b3lyp_6-31g(d).nwchem.inp (generated) 000853065.b3lyp_6-31g(d).log.xz 000853065.td-b3lyp_6-31g+(d).inp 000853065.td-b3lyp_6-31g+(d).log.xz

000853065.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853065.td-b3lyp_6-31+g(d).gjf (generated)

000853065.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853065.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853065.mol 000853065.PUBCHEM 000853065.mol (via Jmol)
000853066.b3lyp_6-31g(d).inp

000853066.b3lyp_6-31g(d).qchem.inp (generated)

000853066.b3lyp_6-31g(d).gjf (generated)

000853066.b3lyp_6-31g(d).firefly.inp (generated)

000853066.b3lyp_6-31g(d).smash.inp (generated)

000853066.b3lyp_6-31g(d).nwchem.inp (generated) 000853066.b3lyp_6-31g(d).log.xz 000853066.td-b3lyp_6-31g+(d).inp 000853066.td-b3lyp_6-31g+(d).log.xz

000853066.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853066.td-b3lyp_6-31+g(d).gjf (generated)

000853066.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853066.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853066.mol 000853066.PUBCHEM 000853066.mol (via Jmol)
000853067.b3lyp_6-31g(d).inp

000853067.b3lyp_6-31g(d).qchem.inp (generated)

000853067.b3lyp_6-31g(d).gjf (generated)

000853067.b3lyp_6-31g(d).firefly.inp (generated)

000853067.b3lyp_6-31g(d).smash.inp (generated)

000853067.b3lyp_6-31g(d).nwchem.inp (generated) 000853067.b3lyp_6-31g(d).log.xz 000853067.td-b3lyp_6-31g+(d).inp 000853067.td-b3lyp_6-31g+(d).log.xz

000853067.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853067.td-b3lyp_6-31+g(d).gjf (generated)

000853067.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853067.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853067.mol 000853067.PUBCHEM 000853067.mol (via Jmol)
000853082.b3lyp_6-31g(d).inp

000853082.b3lyp_6-31g(d).qchem.inp (generated)

000853082.b3lyp_6-31g(d).gjf (generated)

000853082.b3lyp_6-31g(d).firefly.inp (generated)

000853082.b3lyp_6-31g(d).smash.inp (generated)

000853082.b3lyp_6-31g(d).nwchem.inp (generated) 000853082.b3lyp_6-31g(d).log.xz 000853082.td-b3lyp_6-31g+(d).inp 000853082.td-b3lyp_6-31g+(d).log.xz

000853082.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853082.td-b3lyp_6-31+g(d).gjf (generated)

000853082.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853082.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853082.mol 000853082.PUBCHEM 000853082.mol (via Jmol)
000853083.b3lyp_6-31g(d).inp

000853083.b3lyp_6-31g(d).qchem.inp (generated)

000853083.b3lyp_6-31g(d).gjf (generated)

000853083.b3lyp_6-31g(d).firefly.inp (generated)

000853083.b3lyp_6-31g(d).smash.inp (generated)

000853083.b3lyp_6-31g(d).nwchem.inp (generated) 000853083.b3lyp_6-31g(d).log.xz 000853083.td-b3lyp_6-31g+(d).inp 000853083.td-b3lyp_6-31g+(d).log.xz

000853083.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853083.td-b3lyp_6-31+g(d).gjf (generated)

000853083.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853083.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853083.mol 000853083.PUBCHEM 000853083.mol (via Jmol)
000853085.b3lyp_6-31g(d).inp

000853085.b3lyp_6-31g(d).qchem.inp (generated)

000853085.b3lyp_6-31g(d).gjf (generated)

000853085.b3lyp_6-31g(d).firefly.inp (generated)

000853085.b3lyp_6-31g(d).smash.inp (generated)

000853085.b3lyp_6-31g(d).nwchem.inp (generated) 000853085.b3lyp_6-31g(d).log.xz 000853085.td-b3lyp_6-31g+(d).inp 000853085.td-b3lyp_6-31g+(d).log.xz

000853085.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853085.td-b3lyp_6-31+g(d).gjf (generated)

000853085.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853085.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853085.mol 000853085.PUBCHEM 000853085.mol (via Jmol)
000853105.b3lyp_6-31g(d).inp

000853105.b3lyp_6-31g(d).qchem.inp (generated)

000853105.b3lyp_6-31g(d).gjf (generated)

000853105.b3lyp_6-31g(d).firefly.inp (generated)

000853105.b3lyp_6-31g(d).smash.inp (generated)

000853105.b3lyp_6-31g(d).nwchem.inp (generated) 000853105.b3lyp_6-31g(d).log.xz 000853105.td-b3lyp_6-31g+(d).inp 000853105.td-b3lyp_6-31g+(d).log.xz

000853105.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853105.td-b3lyp_6-31+g(d).gjf (generated)

000853105.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853105.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853105.mol 000853105.PUBCHEM 000853105.mol (via Jmol)
000853106.b3lyp_6-31g(d).inp

000853106.b3lyp_6-31g(d).qchem.inp (generated)

000853106.b3lyp_6-31g(d).gjf (generated)

000853106.b3lyp_6-31g(d).firefly.inp (generated)

000853106.b3lyp_6-31g(d).smash.inp (generated)

000853106.b3lyp_6-31g(d).nwchem.inp (generated) 000853106.b3lyp_6-31g(d).log.xz 000853106.mol 000853106.PUBCHEM 000853106.mol (via Jmol)
000853109.b3lyp_6-31g(d).inp

000853109.b3lyp_6-31g(d).qchem.inp (generated)

000853109.b3lyp_6-31g(d).gjf (generated)

000853109.b3lyp_6-31g(d).firefly.inp (generated)

000853109.b3lyp_6-31g(d).smash.inp (generated)

000853109.b3lyp_6-31g(d).nwchem.inp (generated) 000853109.b3lyp_6-31g(d).log.xz 000853109.td-b3lyp_6-31g+(d).inp 000853109.td-b3lyp_6-31g+(d).log.xz

000853109.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853109.td-b3lyp_6-31+g(d).gjf (generated)

000853109.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853109.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853109.mol 000853109.PUBCHEM 000853109.mol (via Jmol)
000853127.b3lyp_6-31g(d).inp

000853127.b3lyp_6-31g(d).qchem.inp (generated)

000853127.b3lyp_6-31g(d).gjf (generated)

000853127.b3lyp_6-31g(d).firefly.inp (generated)

000853127.b3lyp_6-31g(d).smash.inp (generated)

000853127.b3lyp_6-31g(d).nwchem.inp (generated) 000853127.b3lyp_6-31g(d).log.xz 000853127.td-b3lyp_6-31g+(d).inp 000853127.td-b3lyp_6-31g+(d).log.xz

000853127.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853127.td-b3lyp_6-31+g(d).gjf (generated)

000853127.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853127.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853127.mol 000853127.PUBCHEM 000853127.mol (via Jmol)
000853132.b3lyp_6-31g(d).inp

000853132.b3lyp_6-31g(d).qchem.inp (generated)

000853132.b3lyp_6-31g(d).gjf (generated)

000853132.b3lyp_6-31g(d).firefly.inp (generated)

000853132.b3lyp_6-31g(d).smash.inp (generated)

000853132.b3lyp_6-31g(d).nwchem.inp (generated) 000853132.b3lyp_6-31g(d).log.xz 000853132.td-b3lyp_6-31g+(d).inp 000853132.td-b3lyp_6-31g+(d).log.xz

000853132.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853132.td-b3lyp_6-31+g(d).gjf (generated)

000853132.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853132.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853132.mol 000853132.PUBCHEM 000853132.mol (via Jmol)
000853142.b3lyp_6-31g(d).inp

000853142.b3lyp_6-31g(d).qchem.inp (generated)

000853142.b3lyp_6-31g(d).gjf (generated)

000853142.b3lyp_6-31g(d).firefly.inp (generated)

000853142.b3lyp_6-31g(d).smash.inp (generated)

000853142.b3lyp_6-31g(d).nwchem.inp (generated) 000853142.b3lyp_6-31g(d).log.xz 000853142.td-b3lyp_6-31g+(d).inp 000853142.td-b3lyp_6-31g+(d).log.xz

000853142.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853142.td-b3lyp_6-31+g(d).gjf (generated)

000853142.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853142.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853142.mol 000853142.PUBCHEM 000853142.mol (via Jmol)
000853146.b3lyp_6-31g(d).inp

000853146.b3lyp_6-31g(d).qchem.inp (generated)

000853146.b3lyp_6-31g(d).gjf (generated)

000853146.b3lyp_6-31g(d).firefly.inp (generated)

000853146.b3lyp_6-31g(d).smash.inp (generated)

000853146.b3lyp_6-31g(d).nwchem.inp (generated) 000853146.b3lyp_6-31g(d).log.xz 000853146.td-b3lyp_6-31g+(d).inp 000853146.td-b3lyp_6-31g+(d).log.xz

000853146.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853146.td-b3lyp_6-31+g(d).gjf (generated)

000853146.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853146.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853146.mol 000853146.PUBCHEM 000853146.mol (via Jmol)
000853149.b3lyp_6-31g(d).inp

000853149.b3lyp_6-31g(d).qchem.inp (generated)

000853149.b3lyp_6-31g(d).gjf (generated)

000853149.b3lyp_6-31g(d).firefly.inp (generated)

000853149.b3lyp_6-31g(d).smash.inp (generated)

000853149.b3lyp_6-31g(d).nwchem.inp (generated) 000853149.b3lyp_6-31g(d).log.xz 000853149.td-b3lyp_6-31g+(d).inp 000853149.td-b3lyp_6-31g+(d).log.xz

000853149.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853149.td-b3lyp_6-31+g(d).gjf (generated)

000853149.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853149.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853149.mol 000853149.PUBCHEM 000853149.mol (via Jmol)
000853150.b3lyp_6-31g(d).inp

000853150.b3lyp_6-31g(d).qchem.inp (generated)

000853150.b3lyp_6-31g(d).gjf (generated)

000853150.b3lyp_6-31g(d).firefly.inp (generated)

000853150.b3lyp_6-31g(d).smash.inp (generated)

000853150.b3lyp_6-31g(d).nwchem.inp (generated) 000853150.b3lyp_6-31g(d).log.xz 000853150.td-b3lyp_6-31g+(d).inp 000853150.td-b3lyp_6-31g+(d).log.xz

000853150.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853150.td-b3lyp_6-31+g(d).gjf (generated)

000853150.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853150.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853150.mol 000853150.PUBCHEM 000853150.mol (via Jmol)
000853151.b3lyp_6-31g(d).inp

000853151.b3lyp_6-31g(d).qchem.inp (generated)

000853151.b3lyp_6-31g(d).gjf (generated)

000853151.b3lyp_6-31g(d).firefly.inp (generated)

000853151.b3lyp_6-31g(d).smash.inp (generated)

000853151.b3lyp_6-31g(d).nwchem.inp (generated) 000853151.b3lyp_6-31g(d).log.xz 000853151.td-b3lyp_6-31g+(d).inp 000853151.td-b3lyp_6-31g+(d).log.xz

000853151.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853151.td-b3lyp_6-31+g(d).gjf (generated)

000853151.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853151.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853151.mol 000853151.PUBCHEM 000853151.mol (via Jmol)
000853152.b3lyp_6-31g(d).inp

000853152.b3lyp_6-31g(d).qchem.inp (generated)

000853152.b3lyp_6-31g(d).gjf (generated)

000853152.b3lyp_6-31g(d).firefly.inp (generated)

000853152.b3lyp_6-31g(d).smash.inp (generated)

000853152.b3lyp_6-31g(d).nwchem.inp (generated) 000853152.b3lyp_6-31g(d).log.xz 000853152.td-b3lyp_6-31g+(d).inp 000853152.td-b3lyp_6-31g+(d).log.xz

000853152.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853152.td-b3lyp_6-31+g(d).gjf (generated)

000853152.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853152.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853152.mol 000853152.PUBCHEM 000853152.mol (via Jmol)
000853153.b3lyp_6-31g(d).inp

000853153.b3lyp_6-31g(d).qchem.inp (generated)

000853153.b3lyp_6-31g(d).gjf (generated)

000853153.b3lyp_6-31g(d).firefly.inp (generated)

000853153.b3lyp_6-31g(d).smash.inp (generated)

000853153.b3lyp_6-31g(d).nwchem.inp (generated) 000853153.b3lyp_6-31g(d).log.xz 000853153.td-b3lyp_6-31g+(d).inp 000853153.td-b3lyp_6-31g+(d).log.xz

000853153.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853153.td-b3lyp_6-31+g(d).gjf (generated)

000853153.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853153.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853153.mol 000853153.PUBCHEM 000853153.mol (via Jmol)
000853154.b3lyp_6-31g(d).inp

000853154.b3lyp_6-31g(d).qchem.inp (generated)

000853154.b3lyp_6-31g(d).gjf (generated)

000853154.b3lyp_6-31g(d).firefly.inp (generated)

000853154.b3lyp_6-31g(d).smash.inp (generated)

000853154.b3lyp_6-31g(d).nwchem.inp (generated) 000853154.b3lyp_6-31g(d).log.xz 000853154.td-b3lyp_6-31g+(d).inp 000853154.td-b3lyp_6-31g+(d).log.xz

000853154.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853154.td-b3lyp_6-31+g(d).gjf (generated)

000853154.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853154.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853154.mol 000853154.PUBCHEM 000853154.mol (via Jmol)
000853155.b3lyp_6-31g(d).inp

000853155.b3lyp_6-31g(d).qchem.inp (generated)

000853155.b3lyp_6-31g(d).gjf (generated)

000853155.b3lyp_6-31g(d).firefly.inp (generated)

000853155.b3lyp_6-31g(d).smash.inp (generated)

000853155.b3lyp_6-31g(d).nwchem.inp (generated) 000853155.b3lyp_6-31g(d).log.xz 000853155.td-b3lyp_6-31g+(d).inp 000853155.td-b3lyp_6-31g+(d).log.xz

000853155.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853155.td-b3lyp_6-31+g(d).gjf (generated)

000853155.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853155.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853155.mol 000853155.PUBCHEM 000853155.mol (via Jmol)
000853156.b3lyp_6-31g(d).inp

000853156.b3lyp_6-31g(d).qchem.inp (generated)

000853156.b3lyp_6-31g(d).gjf (generated)

000853156.b3lyp_6-31g(d).firefly.inp (generated)

000853156.b3lyp_6-31g(d).smash.inp (generated)

000853156.b3lyp_6-31g(d).nwchem.inp (generated) 000853156.b3lyp_6-31g(d).log.xz 000853156.td-b3lyp_6-31g+(d).inp 000853156.td-b3lyp_6-31g+(d).log.xz

000853156.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853156.td-b3lyp_6-31+g(d).gjf (generated)

000853156.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853156.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853156.mol 000853156.PUBCHEM 000853156.mol (via Jmol)
000853157.b3lyp_6-31g(d).inp

000853157.b3lyp_6-31g(d).qchem.inp (generated)

000853157.b3lyp_6-31g(d).gjf (generated)

000853157.b3lyp_6-31g(d).firefly.inp (generated)

000853157.b3lyp_6-31g(d).smash.inp (generated)

000853157.b3lyp_6-31g(d).nwchem.inp (generated) 000853157.b3lyp_6-31g(d).log.xz 000853157.td-b3lyp_6-31g+(d).inp 000853157.td-b3lyp_6-31g+(d).log.xz

000853157.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853157.td-b3lyp_6-31+g(d).gjf (generated)

000853157.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853157.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853157.mol 000853157.PUBCHEM 000853157.mol (via Jmol)
000853158.b3lyp_6-31g(d).inp

000853158.b3lyp_6-31g(d).qchem.inp (generated)

000853158.b3lyp_6-31g(d).gjf (generated)

000853158.b3lyp_6-31g(d).firefly.inp (generated)

000853158.b3lyp_6-31g(d).smash.inp (generated)

000853158.b3lyp_6-31g(d).nwchem.inp (generated) 000853158.b3lyp_6-31g(d).log.xz 000853158.td-b3lyp_6-31g+(d).inp 000853158.td-b3lyp_6-31g+(d).log.xz

000853158.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853158.td-b3lyp_6-31+g(d).gjf (generated)

000853158.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853158.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853158.mol 000853158.PUBCHEM 000853158.mol (via Jmol)
000853159.b3lyp_6-31g(d).inp

000853159.b3lyp_6-31g(d).qchem.inp (generated)

000853159.b3lyp_6-31g(d).gjf (generated)

000853159.b3lyp_6-31g(d).firefly.inp (generated)

000853159.b3lyp_6-31g(d).smash.inp (generated)

000853159.b3lyp_6-31g(d).nwchem.inp (generated) 000853159.b3lyp_6-31g(d).log.xz 000853159.td-b3lyp_6-31g+(d).inp 000853159.td-b3lyp_6-31g+(d).log.xz

000853159.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853159.td-b3lyp_6-31+g(d).gjf (generated)

000853159.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853159.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853159.mol 000853159.PUBCHEM 000853159.mol (via Jmol)
000853160.b3lyp_6-31g(d).inp

000853160.b3lyp_6-31g(d).qchem.inp (generated)

000853160.b3lyp_6-31g(d).gjf (generated)

000853160.b3lyp_6-31g(d).firefly.inp (generated)

000853160.b3lyp_6-31g(d).smash.inp (generated)

000853160.b3lyp_6-31g(d).nwchem.inp (generated) 000853160.b3lyp_6-31g(d).log.xz 000853160.td-b3lyp_6-31g+(d).inp 000853160.td-b3lyp_6-31g+(d).log.xz

000853160.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853160.td-b3lyp_6-31+g(d).gjf (generated)

000853160.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853160.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853160.mol 000853160.PUBCHEM 000853160.mol (via Jmol)
000853161.b3lyp_6-31g(d).inp

000853161.b3lyp_6-31g(d).qchem.inp (generated)

000853161.b3lyp_6-31g(d).gjf (generated)

000853161.b3lyp_6-31g(d).firefly.inp (generated)

000853161.b3lyp_6-31g(d).smash.inp (generated)

000853161.b3lyp_6-31g(d).nwchem.inp (generated) 000853161.b3lyp_6-31g(d).log.xz 000853161.td-b3lyp_6-31g+(d).inp 000853161.td-b3lyp_6-31g+(d).log.xz

000853161.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853161.td-b3lyp_6-31+g(d).gjf (generated)

000853161.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853161.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853161.mol 000853161.PUBCHEM 000853161.mol (via Jmol)
000853162.b3lyp_6-31g(d).inp

000853162.b3lyp_6-31g(d).qchem.inp (generated)

000853162.b3lyp_6-31g(d).gjf (generated)

000853162.b3lyp_6-31g(d).firefly.inp (generated)

000853162.b3lyp_6-31g(d).smash.inp (generated)

000853162.b3lyp_6-31g(d).nwchem.inp (generated) 000853162.b3lyp_6-31g(d).log.xz 000853162.mol 000853162.PUBCHEM 000853162.mol (via Jmol)
000853163.b3lyp_6-31g(d).inp

000853163.b3lyp_6-31g(d).qchem.inp (generated)

000853163.b3lyp_6-31g(d).gjf (generated)

000853163.b3lyp_6-31g(d).firefly.inp (generated)

000853163.b3lyp_6-31g(d).smash.inp (generated)

000853163.b3lyp_6-31g(d).nwchem.inp (generated) 000853163.b3lyp_6-31g(d).log.xz 000853163.td-b3lyp_6-31g+(d).inp 000853163.td-b3lyp_6-31g+(d).log.xz

000853163.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853163.td-b3lyp_6-31+g(d).gjf (generated)

000853163.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853163.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853163.mol 000853163.PUBCHEM 000853163.mol (via Jmol)
000853164.b3lyp_6-31g(d).inp

000853164.b3lyp_6-31g(d).qchem.inp (generated)

000853164.b3lyp_6-31g(d).gjf (generated)

000853164.b3lyp_6-31g(d).firefly.inp (generated)

000853164.b3lyp_6-31g(d).smash.inp (generated)

000853164.b3lyp_6-31g(d).nwchem.inp (generated) 000853164.b3lyp_6-31g(d).log.xz 000853164.td-b3lyp_6-31g+(d).inp 000853164.td-b3lyp_6-31g+(d).log.xz

000853164.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853164.td-b3lyp_6-31+g(d).gjf (generated)

000853164.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853164.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853164.mol 000853164.PUBCHEM 000853164.mol (via Jmol)
000853165.b3lyp_6-31g(d).inp

000853165.b3lyp_6-31g(d).qchem.inp (generated)

000853165.b3lyp_6-31g(d).gjf (generated)

000853165.b3lyp_6-31g(d).firefly.inp (generated)

000853165.b3lyp_6-31g(d).smash.inp (generated)

000853165.b3lyp_6-31g(d).nwchem.inp (generated) 000853165.b3lyp_6-31g(d).log.xz 000853165.td-b3lyp_6-31g+(d).inp 000853165.td-b3lyp_6-31g+(d).log.xz

000853165.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853165.td-b3lyp_6-31+g(d).gjf (generated)

000853165.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853165.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853165.mol 000853165.PUBCHEM 000853165.mol (via Jmol)
000853166.b3lyp_6-31g(d).inp

000853166.b3lyp_6-31g(d).qchem.inp (generated)

000853166.b3lyp_6-31g(d).gjf (generated)

000853166.b3lyp_6-31g(d).firefly.inp (generated)

000853166.b3lyp_6-31g(d).smash.inp (generated)

000853166.b3lyp_6-31g(d).nwchem.inp (generated) 000853166.b3lyp_6-31g(d).log.xz 000853166.td-b3lyp_6-31g+(d).inp 000853166.td-b3lyp_6-31g+(d).log.xz

000853166.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853166.td-b3lyp_6-31+g(d).gjf (generated)

000853166.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853166.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853166.mol 000853166.PUBCHEM 000853166.mol (via Jmol)
000853169.b3lyp_6-31g(d).inp

000853169.b3lyp_6-31g(d).qchem.inp (generated)

000853169.b3lyp_6-31g(d).gjf (generated)

000853169.b3lyp_6-31g(d).firefly.inp (generated)

000853169.b3lyp_6-31g(d).smash.inp (generated)

000853169.b3lyp_6-31g(d).nwchem.inp (generated) 000853169.b3lyp_6-31g(d).log.xz 000853169.td-b3lyp_6-31g+(d).inp 000853169.td-b3lyp_6-31g+(d).log.xz

000853169.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853169.td-b3lyp_6-31+g(d).gjf (generated)

000853169.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853169.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853169.mol 000853169.PUBCHEM 000853169.mol (via Jmol)
000853170.b3lyp_6-31g(d).inp

000853170.b3lyp_6-31g(d).qchem.inp (generated)

000853170.b3lyp_6-31g(d).gjf (generated)

000853170.b3lyp_6-31g(d).firefly.inp (generated)

000853170.b3lyp_6-31g(d).smash.inp (generated)

000853170.b3lyp_6-31g(d).nwchem.inp (generated) 000853170.b3lyp_6-31g(d).log.xz 000853170.td-b3lyp_6-31g+(d).inp 000853170.td-b3lyp_6-31g+(d).log.xz

000853170.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853170.td-b3lyp_6-31+g(d).gjf (generated)

000853170.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853170.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853170.mol 000853170.PUBCHEM 000853170.mol (via Jmol)
000853171.b3lyp_6-31g(d).inp

000853171.b3lyp_6-31g(d).qchem.inp (generated)

000853171.b3lyp_6-31g(d).gjf (generated)

000853171.b3lyp_6-31g(d).firefly.inp (generated)

000853171.b3lyp_6-31g(d).smash.inp (generated)

000853171.b3lyp_6-31g(d).nwchem.inp (generated) 000853171.b3lyp_6-31g(d).log.xz 000853171.td-b3lyp_6-31g+(d).inp 000853171.td-b3lyp_6-31g+(d).log.xz

000853171.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853171.td-b3lyp_6-31+g(d).gjf (generated)

000853171.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853171.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853171.mol 000853171.PUBCHEM 000853171.mol (via Jmol)
000853173.b3lyp_6-31g(d).inp

000853173.b3lyp_6-31g(d).qchem.inp (generated)

000853173.b3lyp_6-31g(d).gjf (generated)

000853173.b3lyp_6-31g(d).firefly.inp (generated)

000853173.b3lyp_6-31g(d).smash.inp (generated)

000853173.b3lyp_6-31g(d).nwchem.inp (generated) 000853173.b3lyp_6-31g(d).log.xz 000853173.td-b3lyp_6-31g+(d).inp 000853173.td-b3lyp_6-31g+(d).log.xz

000853173.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853173.td-b3lyp_6-31+g(d).gjf (generated)

000853173.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853173.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853173.mol 000853173.PUBCHEM 000853173.mol (via Jmol)
000853174.b3lyp_6-31g(d).inp

000853174.b3lyp_6-31g(d).qchem.inp (generated)

000853174.b3lyp_6-31g(d).gjf (generated)

000853174.b3lyp_6-31g(d).firefly.inp (generated)

000853174.b3lyp_6-31g(d).smash.inp (generated)

000853174.b3lyp_6-31g(d).nwchem.inp (generated) 000853174.b3lyp_6-31g(d).log.xz 000853174.td-b3lyp_6-31g+(d).inp 000853174.td-b3lyp_6-31g+(d).log.xz

000853174.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853174.td-b3lyp_6-31+g(d).gjf (generated)

000853174.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853174.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853174.mol 000853174.PUBCHEM 000853174.mol (via Jmol)
000853175.b3lyp_6-31g(d).inp

000853175.b3lyp_6-31g(d).qchem.inp (generated)

000853175.b3lyp_6-31g(d).gjf (generated)

000853175.b3lyp_6-31g(d).firefly.inp (generated)

000853175.b3lyp_6-31g(d).smash.inp (generated)

000853175.b3lyp_6-31g(d).nwchem.inp (generated) 000853175.b3lyp_6-31g(d).log.xz 000853175.td-b3lyp_6-31g+(d).inp 000853175.td-b3lyp_6-31g+(d).log.xz

000853175.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853175.td-b3lyp_6-31+g(d).gjf (generated)

000853175.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853175.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853175.mol 000853175.PUBCHEM 000853175.mol (via Jmol)
000853176.b3lyp_6-31g(d).inp

000853176.b3lyp_6-31g(d).qchem.inp (generated)

000853176.b3lyp_6-31g(d).gjf (generated)

000853176.b3lyp_6-31g(d).firefly.inp (generated)

000853176.b3lyp_6-31g(d).smash.inp (generated)

000853176.b3lyp_6-31g(d).nwchem.inp (generated) 000853176.b3lyp_6-31g(d).log.xz 000853176.td-b3lyp_6-31g+(d).inp 000853176.td-b3lyp_6-31g+(d).log.xz

000853176.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853176.td-b3lyp_6-31+g(d).gjf (generated)

000853176.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853176.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853176.mol 000853176.PUBCHEM 000853176.mol (via Jmol)
000853178.b3lyp_6-31g(d).inp

000853178.b3lyp_6-31g(d).qchem.inp (generated)

000853178.b3lyp_6-31g(d).gjf (generated)

000853178.b3lyp_6-31g(d).firefly.inp (generated)

000853178.b3lyp_6-31g(d).smash.inp (generated)

000853178.b3lyp_6-31g(d).nwchem.inp (generated) 000853178.b3lyp_6-31g(d).log.xz 000853178.td-b3lyp_6-31g+(d).inp 000853178.td-b3lyp_6-31g+(d).log.xz

000853178.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853178.td-b3lyp_6-31+g(d).gjf (generated)

000853178.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853178.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853178.mol 000853178.PUBCHEM 000853178.mol (via Jmol)
000853180.b3lyp_6-31g(d).inp

000853180.b3lyp_6-31g(d).qchem.inp (generated)

000853180.b3lyp_6-31g(d).gjf (generated)

000853180.b3lyp_6-31g(d).firefly.inp (generated)

000853180.b3lyp_6-31g(d).smash.inp (generated)

000853180.b3lyp_6-31g(d).nwchem.inp (generated) 000853180.b3lyp_6-31g(d).log.xz 000853180.td-b3lyp_6-31g+(d).inp 000853180.td-b3lyp_6-31g+(d).log.xz

000853180.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853180.td-b3lyp_6-31+g(d).gjf (generated)

000853180.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853180.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853180.mol 000853180.PUBCHEM 000853180.mol (via Jmol)
000853181.b3lyp_6-31g(d).inp

000853181.b3lyp_6-31g(d).qchem.inp (generated)

000853181.b3lyp_6-31g(d).gjf (generated)

000853181.b3lyp_6-31g(d).firefly.inp (generated)

000853181.b3lyp_6-31g(d).smash.inp (generated)

000853181.b3lyp_6-31g(d).nwchem.inp (generated) 000853181.b3lyp_6-31g(d).log.xz 000853181.td-b3lyp_6-31g+(d).inp 000853181.td-b3lyp_6-31g+(d).log.xz

000853181.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853181.td-b3lyp_6-31+g(d).gjf (generated)

000853181.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853181.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853181.mol 000853181.PUBCHEM 000853181.mol (via Jmol)
000853182.b3lyp_6-31g(d).inp

000853182.b3lyp_6-31g(d).qchem.inp (generated)

000853182.b3lyp_6-31g(d).gjf (generated)

000853182.b3lyp_6-31g(d).firefly.inp (generated)

000853182.b3lyp_6-31g(d).smash.inp (generated)

000853182.b3lyp_6-31g(d).nwchem.inp (generated) 000853182.b3lyp_6-31g(d).log.xz 000853182.td-b3lyp_6-31g+(d).inp 000853182.td-b3lyp_6-31g+(d).log.xz

000853182.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853182.td-b3lyp_6-31+g(d).gjf (generated)

000853182.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853182.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853182.mol 000853182.PUBCHEM 000853182.mol (via Jmol)
000853219.b3lyp_6-31g(d).inp

000853219.b3lyp_6-31g(d).qchem.inp (generated)

000853219.b3lyp_6-31g(d).gjf (generated)

000853219.b3lyp_6-31g(d).firefly.inp (generated)

000853219.b3lyp_6-31g(d).smash.inp (generated)

000853219.b3lyp_6-31g(d).nwchem.inp (generated) 000853219.b3lyp_6-31g(d).log.xz 000853219.td-b3lyp_6-31g+(d).inp 000853219.td-b3lyp_6-31g+(d).log.xz

000853219.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853219.td-b3lyp_6-31+g(d).gjf (generated)

000853219.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853219.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853219.mol 000853219.PUBCHEM 000853219.mol (via Jmol)
000853264.b3lyp_6-31g(d).inp

000853264.b3lyp_6-31g(d).qchem.inp (generated)

000853264.b3lyp_6-31g(d).gjf (generated)

000853264.b3lyp_6-31g(d).firefly.inp (generated)

000853264.b3lyp_6-31g(d).smash.inp (generated)

000853264.b3lyp_6-31g(d).nwchem.inp (generated) 000853264.b3lyp_6-31g(d).log.xz 000853264.mol 000853264.PUBCHEM 000853264.mol (via Jmol)
000853293.b3lyp_6-31g(d).inp

000853293.b3lyp_6-31g(d).qchem.inp (generated)

000853293.b3lyp_6-31g(d).gjf (generated)

000853293.b3lyp_6-31g(d).firefly.inp (generated)

000853293.b3lyp_6-31g(d).smash.inp (generated)

000853293.b3lyp_6-31g(d).nwchem.inp (generated) 000853293.b3lyp_6-31g(d).log.xz 000853293.td-b3lyp_6-31g+(d).inp 000853293.td-b3lyp_6-31g+(d).log.xz

000853293.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853293.td-b3lyp_6-31+g(d).gjf (generated)

000853293.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853293.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853293.mol 000853293.PUBCHEM 000853293.mol (via Jmol)
000853294.b3lyp_6-31g(d).inp

000853294.b3lyp_6-31g(d).qchem.inp (generated)

000853294.b3lyp_6-31g(d).gjf (generated)

000853294.b3lyp_6-31g(d).firefly.inp (generated)

000853294.b3lyp_6-31g(d).smash.inp (generated)

000853294.b3lyp_6-31g(d).nwchem.inp (generated) 000853294.b3lyp_6-31g(d).log.xz 000853294.td-b3lyp_6-31g+(d).inp 000853294.td-b3lyp_6-31g+(d).log.xz

000853294.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853294.td-b3lyp_6-31+g(d).gjf (generated)

000853294.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853294.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853294.mol 000853294.PUBCHEM 000853294.mol (via Jmol)
000853303.b3lyp_6-31g(d).inp

000853303.b3lyp_6-31g(d).qchem.inp (generated)

000853303.b3lyp_6-31g(d).gjf (generated)

000853303.b3lyp_6-31g(d).firefly.inp (generated)

000853303.b3lyp_6-31g(d).smash.inp (generated)

000853303.b3lyp_6-31g(d).nwchem.inp (generated) 000853303.b3lyp_6-31g(d).log.xz 000853303.td-b3lyp_6-31g+(d).inp 000853303.td-b3lyp_6-31g+(d).log.xz

000853303.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853303.td-b3lyp_6-31+g(d).gjf (generated)

000853303.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853303.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853303.mol 000853303.PUBCHEM 000853303.mol (via Jmol)
000853304.b3lyp_6-31g(d).inp

000853304.b3lyp_6-31g(d).qchem.inp (generated)

000853304.b3lyp_6-31g(d).gjf (generated)

000853304.b3lyp_6-31g(d).firefly.inp (generated)

000853304.b3lyp_6-31g(d).smash.inp (generated)

000853304.b3lyp_6-31g(d).nwchem.inp (generated) 000853304.b3lyp_6-31g(d).log.xz 000853304.td-b3lyp_6-31g+(d).inp 000853304.td-b3lyp_6-31g+(d).log.xz

000853304.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853304.td-b3lyp_6-31+g(d).gjf (generated)

000853304.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853304.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853304.mol 000853304.PUBCHEM 000853304.mol (via Jmol)
000853305.b3lyp_6-31g(d).inp

000853305.b3lyp_6-31g(d).qchem.inp (generated)

000853305.b3lyp_6-31g(d).gjf (generated)

000853305.b3lyp_6-31g(d).firefly.inp (generated)

000853305.b3lyp_6-31g(d).smash.inp (generated)

000853305.b3lyp_6-31g(d).nwchem.inp (generated) 000853305.b3lyp_6-31g(d).log.xz 000853305.td-b3lyp_6-31g+(d).inp 000853305.td-b3lyp_6-31g+(d).log.xz

000853305.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853305.td-b3lyp_6-31+g(d).gjf (generated)

000853305.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853305.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853305.mol 000853305.PUBCHEM 000853305.mol (via Jmol)
000853311.b3lyp_6-31g(d).inp

000853311.b3lyp_6-31g(d).qchem.inp (generated)

000853311.b3lyp_6-31g(d).gjf (generated)

000853311.b3lyp_6-31g(d).firefly.inp (generated)

000853311.b3lyp_6-31g(d).smash.inp (generated)

000853311.b3lyp_6-31g(d).nwchem.inp (generated) 000853311.b3lyp_6-31g(d).log.xz 000853311.td-b3lyp_6-31g+(d).inp 000853311.td-b3lyp_6-31g+(d).log.xz

000853311.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853311.td-b3lyp_6-31+g(d).gjf (generated)

000853311.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853311.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853311.mol 000853311.PUBCHEM 000853311.mol (via Jmol)
000853315.b3lyp_6-31g(d).inp

000853315.b3lyp_6-31g(d).qchem.inp (generated)

000853315.b3lyp_6-31g(d).gjf (generated)

000853315.b3lyp_6-31g(d).firefly.inp (generated)

000853315.b3lyp_6-31g(d).smash.inp (generated)

000853315.b3lyp_6-31g(d).nwchem.inp (generated) 000853315.b3lyp_6-31g(d).log.xz 000853315.td-b3lyp_6-31g+(d).inp 000853315.td-b3lyp_6-31g+(d).log.xz

000853315.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853315.td-b3lyp_6-31+g(d).gjf (generated)

000853315.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853315.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853315.mol 000853315.PUBCHEM 000853315.mol (via Jmol)
000853316.b3lyp_6-31g(d).inp

000853316.b3lyp_6-31g(d).qchem.inp (generated)

000853316.b3lyp_6-31g(d).gjf (generated)

000853316.b3lyp_6-31g(d).firefly.inp (generated)

000853316.b3lyp_6-31g(d).smash.inp (generated)

000853316.b3lyp_6-31g(d).nwchem.inp (generated) 000853316.b3lyp_6-31g(d).log.xz 000853316.td-b3lyp_6-31g+(d).inp 000853316.td-b3lyp_6-31g+(d).log.xz

000853316.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853316.td-b3lyp_6-31+g(d).gjf (generated)

000853316.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853316.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853316.mol 000853316.PUBCHEM 000853316.mol (via Jmol)
000853317.b3lyp_6-31g(d).inp

000853317.b3lyp_6-31g(d).qchem.inp (generated)

000853317.b3lyp_6-31g(d).gjf (generated)

000853317.b3lyp_6-31g(d).firefly.inp (generated)

000853317.b3lyp_6-31g(d).smash.inp (generated)

000853317.b3lyp_6-31g(d).nwchem.inp (generated) 000853317.b3lyp_6-31g(d).log.xz 000853317.td-b3lyp_6-31g+(d).inp 000853317.td-b3lyp_6-31g+(d).log.xz

000853317.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853317.td-b3lyp_6-31+g(d).gjf (generated)

000853317.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853317.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853317.mol 000853317.PUBCHEM 000853317.mol (via Jmol)
000853318.b3lyp_6-31g(d).inp

000853318.b3lyp_6-31g(d).qchem.inp (generated)

000853318.b3lyp_6-31g(d).gjf (generated)

000853318.b3lyp_6-31g(d).firefly.inp (generated)

000853318.b3lyp_6-31g(d).smash.inp (generated)

000853318.b3lyp_6-31g(d).nwchem.inp (generated) 000853318.b3lyp_6-31g(d).log.xz 000853318.td-b3lyp_6-31g+(d).inp 000853318.td-b3lyp_6-31g+(d).log.xz

000853318.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853318.td-b3lyp_6-31+g(d).gjf (generated)

000853318.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853318.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853318.mol 000853318.PUBCHEM 000853318.mol (via Jmol)
000853319.b3lyp_6-31g(d).inp

000853319.b3lyp_6-31g(d).qchem.inp (generated)

000853319.b3lyp_6-31g(d).gjf (generated)

000853319.b3lyp_6-31g(d).firefly.inp (generated)

000853319.b3lyp_6-31g(d).smash.inp (generated)

000853319.b3lyp_6-31g(d).nwchem.inp (generated) 000853319.b3lyp_6-31g(d).log.xz 000853319.td-b3lyp_6-31g+(d).inp 000853319.td-b3lyp_6-31g+(d).log.xz

000853319.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853319.td-b3lyp_6-31+g(d).gjf (generated)

000853319.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853319.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853319.mol 000853319.PUBCHEM 000853319.mol (via Jmol)
000853326.b3lyp_6-31g(d).inp

000853326.b3lyp_6-31g(d).qchem.inp (generated)

000853326.b3lyp_6-31g(d).gjf (generated)

000853326.b3lyp_6-31g(d).firefly.inp (generated)

000853326.b3lyp_6-31g(d).smash.inp (generated)

000853326.b3lyp_6-31g(d).nwchem.inp (generated) 000853326.b3lyp_6-31g(d).log.xz 000853326.td-b3lyp_6-31g+(d).inp 000853326.td-b3lyp_6-31g+(d).log.xz

000853326.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853326.td-b3lyp_6-31+g(d).gjf (generated)

000853326.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853326.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853326.mol 000853326.PUBCHEM 000853326.mol (via Jmol)
000853337.b3lyp_6-31g(d).inp

000853337.b3lyp_6-31g(d).qchem.inp (generated)

000853337.b3lyp_6-31g(d).gjf (generated)

000853337.b3lyp_6-31g(d).firefly.inp (generated)

000853337.b3lyp_6-31g(d).smash.inp (generated)

000853337.b3lyp_6-31g(d).nwchem.inp (generated) 000853337.b3lyp_6-31g(d).log.xz 000853337.mol 000853337.PUBCHEM 000853337.mol (via Jmol)
000853362.b3lyp_6-31g(d).inp

000853362.b3lyp_6-31g(d).qchem.inp (generated)

000853362.b3lyp_6-31g(d).gjf (generated)

000853362.b3lyp_6-31g(d).firefly.inp (generated)

000853362.b3lyp_6-31g(d).smash.inp (generated)

000853362.b3lyp_6-31g(d).nwchem.inp (generated) 000853362.b3lyp_6-31g(d).log.xz 000853362.td-b3lyp_6-31g+(d).inp 000853362.td-b3lyp_6-31g+(d).log.xz

000853362.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853362.td-b3lyp_6-31+g(d).gjf (generated)

000853362.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853362.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853362.mol 000853362.PUBCHEM 000853362.mol (via Jmol)
000853374.b3lyp_6-31g(d).inp

000853374.b3lyp_6-31g(d).qchem.inp (generated)

000853374.b3lyp_6-31g(d).gjf (generated)

000853374.b3lyp_6-31g(d).firefly.inp (generated)

000853374.b3lyp_6-31g(d).smash.inp (generated)

000853374.b3lyp_6-31g(d).nwchem.inp (generated) 000853374.b3lyp_6-31g(d).log.xz 000853374.td-b3lyp_6-31g+(d).inp 000853374.td-b3lyp_6-31g+(d).log.xz

000853374.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853374.td-b3lyp_6-31+g(d).gjf (generated)

000853374.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853374.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853374.mol 000853374.PUBCHEM 000853374.mol (via Jmol)
000853391.b3lyp_6-31g(d).inp

000853391.b3lyp_6-31g(d).qchem.inp (generated)

000853391.b3lyp_6-31g(d).gjf (generated)

000853391.b3lyp_6-31g(d).firefly.inp (generated)

000853391.b3lyp_6-31g(d).smash.inp (generated)

000853391.b3lyp_6-31g(d).nwchem.inp (generated) 000853391.b3lyp_6-31g(d).log.xz 000853391.td-b3lyp_6-31g+(d).inp 000853391.td-b3lyp_6-31g+(d).log.xz

000853391.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853391.td-b3lyp_6-31+g(d).gjf (generated)

000853391.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853391.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853391.mol 000853391.PUBCHEM 000853391.mol (via Jmol)
000853392.b3lyp_6-31g(d).inp

000853392.b3lyp_6-31g(d).qchem.inp (generated)

000853392.b3lyp_6-31g(d).gjf (generated)

000853392.b3lyp_6-31g(d).firefly.inp (generated)

000853392.b3lyp_6-31g(d).smash.inp (generated)

000853392.b3lyp_6-31g(d).nwchem.inp (generated) 000853392.b3lyp_6-31g(d).log.xz 000853392.td-b3lyp_6-31g+(d).inp 000853392.td-b3lyp_6-31g+(d).log.xz

000853392.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853392.td-b3lyp_6-31+g(d).gjf (generated)

000853392.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853392.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853392.mol 000853392.PUBCHEM 000853392.mol (via Jmol)
000853393.b3lyp_6-31g(d).inp

000853393.b3lyp_6-31g(d).qchem.inp (generated)

000853393.b3lyp_6-31g(d).gjf (generated)

000853393.b3lyp_6-31g(d).firefly.inp (generated)

000853393.b3lyp_6-31g(d).smash.inp (generated)

000853393.b3lyp_6-31g(d).nwchem.inp (generated) 000853393.b3lyp_6-31g(d).log.xz 000853393.td-b3lyp_6-31g+(d).inp 000853393.td-b3lyp_6-31g+(d).log.xz

000853393.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853393.td-b3lyp_6-31+g(d).gjf (generated)

000853393.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853393.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853393.mol 000853393.PUBCHEM 000853393.mol (via Jmol)
000853394.b3lyp_6-31g(d).inp

000853394.b3lyp_6-31g(d).qchem.inp (generated)

000853394.b3lyp_6-31g(d).gjf (generated)

000853394.b3lyp_6-31g(d).firefly.inp (generated)

000853394.b3lyp_6-31g(d).smash.inp (generated)

000853394.b3lyp_6-31g(d).nwchem.inp (generated) 000853394.b3lyp_6-31g(d).log.xz 000853394.mol 000853394.PUBCHEM 000853394.mol (via Jmol)
000853395.b3lyp_6-31g(d).inp

000853395.b3lyp_6-31g(d).qchem.inp (generated)

000853395.b3lyp_6-31g(d).gjf (generated)

000853395.b3lyp_6-31g(d).firefly.inp (generated)

000853395.b3lyp_6-31g(d).smash.inp (generated)

000853395.b3lyp_6-31g(d).nwchem.inp (generated) 000853395.b3lyp_6-31g(d).log.xz 000853395.mol 000853395.PUBCHEM 000853395.mol (via Jmol)
000853396.b3lyp_6-31g(d).inp

000853396.b3lyp_6-31g(d).qchem.inp (generated)

000853396.b3lyp_6-31g(d).gjf (generated)

000853396.b3lyp_6-31g(d).firefly.inp (generated)

000853396.b3lyp_6-31g(d).smash.inp (generated)

000853396.b3lyp_6-31g(d).nwchem.inp (generated) 000853396.b3lyp_6-31g(d).log.xz 000853396.td-b3lyp_6-31g+(d).inp 000853396.td-b3lyp_6-31g+(d).log.xz

000853396.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853396.td-b3lyp_6-31+g(d).gjf (generated)

000853396.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853396.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853396.mol 000853396.PUBCHEM 000853396.mol (via Jmol)
000853397.b3lyp_6-31g(d).inp

000853397.b3lyp_6-31g(d).qchem.inp (generated)

000853397.b3lyp_6-31g(d).gjf (generated)

000853397.b3lyp_6-31g(d).firefly.inp (generated)

000853397.b3lyp_6-31g(d).smash.inp (generated)

000853397.b3lyp_6-31g(d).nwchem.inp (generated) 000853397.b3lyp_6-31g(d).log.xz 000853397.td-b3lyp_6-31g+(d).inp 000853397.td-b3lyp_6-31g+(d).log.xz

000853397.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853397.td-b3lyp_6-31+g(d).gjf (generated)

000853397.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853397.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853397.mol 000853397.PUBCHEM 000853397.mol (via Jmol)
000853398.b3lyp_6-31g(d).inp

000853398.b3lyp_6-31g(d).qchem.inp (generated)

000853398.b3lyp_6-31g(d).gjf (generated)

000853398.b3lyp_6-31g(d).firefly.inp (generated)

000853398.b3lyp_6-31g(d).smash.inp (generated)

000853398.b3lyp_6-31g(d).nwchem.inp (generated) 000853398.b3lyp_6-31g(d).log.xz 000853398.td-b3lyp_6-31g+(d).inp 000853398.td-b3lyp_6-31g+(d).log.xz

000853398.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853398.td-b3lyp_6-31+g(d).gjf (generated)

000853398.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853398.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853398.mol 000853398.PUBCHEM 000853398.mol (via Jmol)
000853399.b3lyp_6-31g(d).inp

000853399.b3lyp_6-31g(d).qchem.inp (generated)

000853399.b3lyp_6-31g(d).gjf (generated)

000853399.b3lyp_6-31g(d).firefly.inp (generated)

000853399.b3lyp_6-31g(d).smash.inp (generated)

000853399.b3lyp_6-31g(d).nwchem.inp (generated) 000853399.b3lyp_6-31g(d).log.xz 000853399.td-b3lyp_6-31g+(d).inp 000853399.td-b3lyp_6-31g+(d).log.xz

000853399.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853399.td-b3lyp_6-31+g(d).gjf (generated)

000853399.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853399.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853399.mol 000853399.PUBCHEM 000853399.mol (via Jmol)
000853402.b3lyp_6-31g(d).inp

000853402.b3lyp_6-31g(d).qchem.inp (generated)

000853402.b3lyp_6-31g(d).gjf (generated)

000853402.b3lyp_6-31g(d).firefly.inp (generated)

000853402.b3lyp_6-31g(d).smash.inp (generated)

000853402.b3lyp_6-31g(d).nwchem.inp (generated) 000853402.b3lyp_6-31g(d).log.xz 000853402.td-b3lyp_6-31g+(d).inp 000853402.td-b3lyp_6-31g+(d).log.xz

000853402.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853402.td-b3lyp_6-31+g(d).gjf (generated)

000853402.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853402.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853402.mol 000853402.PUBCHEM 000853402.mol (via Jmol)
000853403.b3lyp_6-31g(d).inp

000853403.b3lyp_6-31g(d).qchem.inp (generated)

000853403.b3lyp_6-31g(d).gjf (generated)

000853403.b3lyp_6-31g(d).firefly.inp (generated)

000853403.b3lyp_6-31g(d).smash.inp (generated)

000853403.b3lyp_6-31g(d).nwchem.inp (generated) 000853403.b3lyp_6-31g(d).log.xz 000853403.td-b3lyp_6-31g+(d).inp 000853403.td-b3lyp_6-31g+(d).log.xz

000853403.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853403.td-b3lyp_6-31+g(d).gjf (generated)

000853403.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853403.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853403.mol 000853403.PUBCHEM 000853403.mol (via Jmol)
000853408.b3lyp_6-31g(d).inp

000853408.b3lyp_6-31g(d).qchem.inp (generated)

000853408.b3lyp_6-31g(d).gjf (generated)

000853408.b3lyp_6-31g(d).firefly.inp (generated)

000853408.b3lyp_6-31g(d).smash.inp (generated)

000853408.b3lyp_6-31g(d).nwchem.inp (generated) 000853408.b3lyp_6-31g(d).log.xz 000853408.td-b3lyp_6-31g+(d).inp 000853408.td-b3lyp_6-31g+(d).log.xz

000853408.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853408.td-b3lyp_6-31+g(d).gjf (generated)

000853408.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853408.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853408.mol 000853408.PUBCHEM 000853408.mol (via Jmol)
000853411.b3lyp_6-31g(d).inp

000853411.b3lyp_6-31g(d).qchem.inp (generated)

000853411.b3lyp_6-31g(d).gjf (generated)

000853411.b3lyp_6-31g(d).firefly.inp (generated)

000853411.b3lyp_6-31g(d).smash.inp (generated)

000853411.b3lyp_6-31g(d).nwchem.inp (generated) 000853411.b3lyp_6-31g(d).log.xz 000853411.td-b3lyp_6-31g+(d).inp 000853411.td-b3lyp_6-31g+(d).log.xz

000853411.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853411.td-b3lyp_6-31+g(d).gjf (generated)

000853411.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853411.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853411.mol 000853411.PUBCHEM 000853411.mol (via Jmol)
000853415.b3lyp_6-31g(d).inp

000853415.b3lyp_6-31g(d).qchem.inp (generated)

000853415.b3lyp_6-31g(d).gjf (generated)

000853415.b3lyp_6-31g(d).firefly.inp (generated)

000853415.b3lyp_6-31g(d).smash.inp (generated)

000853415.b3lyp_6-31g(d).nwchem.inp (generated) 000853415.b3lyp_6-31g(d).log.xz 000853415.td-b3lyp_6-31g+(d).inp 000853415.td-b3lyp_6-31g+(d).log.xz

000853415.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853415.td-b3lyp_6-31+g(d).gjf (generated)

000853415.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853415.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853415.mol 000853415.PUBCHEM 000853415.mol (via Jmol)
000853416.b3lyp_6-31g(d).inp

000853416.b3lyp_6-31g(d).qchem.inp (generated)

000853416.b3lyp_6-31g(d).gjf (generated)

000853416.b3lyp_6-31g(d).firefly.inp (generated)

000853416.b3lyp_6-31g(d).smash.inp (generated)

000853416.b3lyp_6-31g(d).nwchem.inp (generated) 000853416.b3lyp_6-31g(d).log.xz 000853416.mol 000853416.PUBCHEM 000853416.mol (via Jmol)
000853417.b3lyp_6-31g(d).inp

000853417.b3lyp_6-31g(d).qchem.inp (generated)

000853417.b3lyp_6-31g(d).gjf (generated)

000853417.b3lyp_6-31g(d).firefly.inp (generated)

000853417.b3lyp_6-31g(d).smash.inp (generated)

000853417.b3lyp_6-31g(d).nwchem.inp (generated) 000853417.b3lyp_6-31g(d).log.xz 000853417.td-b3lyp_6-31g+(d).inp 000853417.td-b3lyp_6-31g+(d).log.xz

000853417.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853417.td-b3lyp_6-31+g(d).gjf (generated)

000853417.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853417.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853417.mol 000853417.PUBCHEM 000853417.mol (via Jmol)
000853418.b3lyp_6-31g(d).inp

000853418.b3lyp_6-31g(d).qchem.inp (generated)

000853418.b3lyp_6-31g(d).gjf (generated)

000853418.b3lyp_6-31g(d).firefly.inp (generated)

000853418.b3lyp_6-31g(d).smash.inp (generated)

000853418.b3lyp_6-31g(d).nwchem.inp (generated) 000853418.b3lyp_6-31g(d).log.xz 000853418.td-b3lyp_6-31g+(d).inp 000853418.td-b3lyp_6-31g+(d).log.xz

000853418.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853418.td-b3lyp_6-31+g(d).gjf (generated)

000853418.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853418.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853418.mol 000853418.PUBCHEM 000853418.mol (via Jmol)
000853419.b3lyp_6-31g(d).inp

000853419.b3lyp_6-31g(d).qchem.inp (generated)

000853419.b3lyp_6-31g(d).gjf (generated)

000853419.b3lyp_6-31g(d).firefly.inp (generated)

000853419.b3lyp_6-31g(d).smash.inp (generated)

000853419.b3lyp_6-31g(d).nwchem.inp (generated) 000853419.b3lyp_6-31g(d).log.xz 000853419.td-b3lyp_6-31g+(d).inp 000853419.td-b3lyp_6-31g+(d).log.xz

000853419.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853419.td-b3lyp_6-31+g(d).gjf (generated)

000853419.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853419.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853419.mol 000853419.PUBCHEM 000853419.mol (via Jmol)
000853420.b3lyp_6-31g(d).inp

000853420.b3lyp_6-31g(d).qchem.inp (generated)

000853420.b3lyp_6-31g(d).gjf (generated)

000853420.b3lyp_6-31g(d).firefly.inp (generated)

000853420.b3lyp_6-31g(d).smash.inp (generated)

000853420.b3lyp_6-31g(d).nwchem.inp (generated) 000853420.b3lyp_6-31g(d).log.xz 000853420.td-b3lyp_6-31g+(d).inp 000853420.td-b3lyp_6-31g+(d).log.xz

000853420.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853420.td-b3lyp_6-31+g(d).gjf (generated)

000853420.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853420.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853420.mol 000853420.PUBCHEM 000853420.mol (via Jmol)
000853421.b3lyp_6-31g(d).inp

000853421.b3lyp_6-31g(d).qchem.inp (generated)

000853421.b3lyp_6-31g(d).gjf (generated)

000853421.b3lyp_6-31g(d).firefly.inp (generated)

000853421.b3lyp_6-31g(d).smash.inp (generated)

000853421.b3lyp_6-31g(d).nwchem.inp (generated) 000853421.b3lyp_6-31g(d).log.xz 000853421.td-b3lyp_6-31g+(d).inp 000853421.td-b3lyp_6-31g+(d).log.xz

000853421.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853421.td-b3lyp_6-31+g(d).gjf (generated)

000853421.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853421.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853421.mol 000853421.PUBCHEM 000853421.mol (via Jmol)
000853428.b3lyp_6-31g(d).inp

000853428.b3lyp_6-31g(d).qchem.inp (generated)

000853428.b3lyp_6-31g(d).gjf (generated)

000853428.b3lyp_6-31g(d).firefly.inp (generated)

000853428.b3lyp_6-31g(d).smash.inp (generated)

000853428.b3lyp_6-31g(d).nwchem.inp (generated) 000853428.b3lyp_6-31g(d).log.xz 000853428.td-b3lyp_6-31g+(d).inp 000853428.td-b3lyp_6-31g+(d).log.xz

000853428.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853428.td-b3lyp_6-31+g(d).gjf (generated)

000853428.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853428.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853428.mol 000853428.PUBCHEM 000853428.mol (via Jmol)
000853429.b3lyp_6-31g(d).inp

000853429.b3lyp_6-31g(d).qchem.inp (generated)

000853429.b3lyp_6-31g(d).gjf (generated)

000853429.b3lyp_6-31g(d).firefly.inp (generated)

000853429.b3lyp_6-31g(d).smash.inp (generated)

000853429.b3lyp_6-31g(d).nwchem.inp (generated) 000853429.b3lyp_6-31g(d).log.xz 000853429.td-b3lyp_6-31g+(d).inp 000853429.td-b3lyp_6-31g+(d).log.xz

000853429.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853429.td-b3lyp_6-31+g(d).gjf (generated)

000853429.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853429.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853429.mol 000853429.PUBCHEM 000853429.mol (via Jmol)
000853430.b3lyp_6-31g(d).inp

000853430.b3lyp_6-31g(d).qchem.inp (generated)

000853430.b3lyp_6-31g(d).gjf (generated)

000853430.b3lyp_6-31g(d).firefly.inp (generated)

000853430.b3lyp_6-31g(d).smash.inp (generated)

000853430.b3lyp_6-31g(d).nwchem.inp (generated) 000853430.b3lyp_6-31g(d).log.xz 000853430.td-b3lyp_6-31g+(d).inp 000853430.td-b3lyp_6-31g+(d).log.xz

000853430.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853430.td-b3lyp_6-31+g(d).gjf (generated)

000853430.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853430.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853430.mol 000853430.PUBCHEM 000853430.mol (via Jmol)
000853431.b3lyp_6-31g(d).inp

000853431.b3lyp_6-31g(d).qchem.inp (generated)

000853431.b3lyp_6-31g(d).gjf (generated)

000853431.b3lyp_6-31g(d).firefly.inp (generated)

000853431.b3lyp_6-31g(d).smash.inp (generated)

000853431.b3lyp_6-31g(d).nwchem.inp (generated) 000853431.b3lyp_6-31g(d).log.xz 000853431.td-b3lyp_6-31g+(d).inp 000853431.td-b3lyp_6-31g+(d).log.xz

000853431.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853431.td-b3lyp_6-31+g(d).gjf (generated)

000853431.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853431.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853431.mol 000853431.PUBCHEM 000853431.mol (via Jmol)
000853432.b3lyp_6-31g(d).inp

000853432.b3lyp_6-31g(d).qchem.inp (generated)

000853432.b3lyp_6-31g(d).gjf (generated)

000853432.b3lyp_6-31g(d).firefly.inp (generated)

000853432.b3lyp_6-31g(d).smash.inp (generated)

000853432.b3lyp_6-31g(d).nwchem.inp (generated) 000853432.b3lyp_6-31g(d).log.xz 000853432.td-b3lyp_6-31g+(d).inp 000853432.td-b3lyp_6-31g+(d).log.xz

000853432.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853432.td-b3lyp_6-31+g(d).gjf (generated)

000853432.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853432.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853432.mol 000853432.PUBCHEM 000853432.mol (via Jmol)
000853434.b3lyp_6-31g(d).inp

000853434.b3lyp_6-31g(d).qchem.inp (generated)

000853434.b3lyp_6-31g(d).gjf (generated)

000853434.b3lyp_6-31g(d).firefly.inp (generated)

000853434.b3lyp_6-31g(d).smash.inp (generated)

000853434.b3lyp_6-31g(d).nwchem.inp (generated) 000853434.b3lyp_6-31g(d).log.xz 000853434.td-b3lyp_6-31g+(d).inp 000853434.td-b3lyp_6-31g+(d).log.xz

000853434.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853434.td-b3lyp_6-31+g(d).gjf (generated)

000853434.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853434.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853434.mol 000853434.PUBCHEM 000853434.mol (via Jmol)
000853437.b3lyp_6-31g(d).inp

000853437.b3lyp_6-31g(d).qchem.inp (generated)

000853437.b3lyp_6-31g(d).gjf (generated)

000853437.b3lyp_6-31g(d).firefly.inp (generated)

000853437.b3lyp_6-31g(d).smash.inp (generated)

000853437.b3lyp_6-31g(d).nwchem.inp (generated) 000853437.b3lyp_6-31g(d).log.xz 000853437.td-b3lyp_6-31g+(d).inp 000853437.td-b3lyp_6-31g+(d).log.xz

000853437.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853437.td-b3lyp_6-31+g(d).gjf (generated)

000853437.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853437.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853437.mol 000853437.PUBCHEM 000853437.mol (via Jmol)
000853438.b3lyp_6-31g(d).inp

000853438.b3lyp_6-31g(d).qchem.inp (generated)

000853438.b3lyp_6-31g(d).gjf (generated)

000853438.b3lyp_6-31g(d).firefly.inp (generated)

000853438.b3lyp_6-31g(d).smash.inp (generated)

000853438.b3lyp_6-31g(d).nwchem.inp (generated) 000853438.b3lyp_6-31g(d).log.xz 000853438.td-b3lyp_6-31g+(d).inp 000853438.td-b3lyp_6-31g+(d).log.xz

000853438.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853438.td-b3lyp_6-31+g(d).gjf (generated)

000853438.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853438.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853438.mol 000853438.PUBCHEM 000853438.mol (via Jmol)
000853440.b3lyp_6-31g(d).inp

000853440.b3lyp_6-31g(d).qchem.inp (generated)

000853440.b3lyp_6-31g(d).gjf (generated)

000853440.b3lyp_6-31g(d).firefly.inp (generated)

000853440.b3lyp_6-31g(d).smash.inp (generated)

000853440.b3lyp_6-31g(d).nwchem.inp (generated) 000853440.b3lyp_6-31g(d).log.xz 000853440.td-b3lyp_6-31g+(d).inp 000853440.td-b3lyp_6-31g+(d).log.xz

000853440.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853440.td-b3lyp_6-31+g(d).gjf (generated)

000853440.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853440.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853440.mol 000853440.PUBCHEM 000853440.mol (via Jmol)
000853441.b3lyp_6-31g(d).inp

000853441.b3lyp_6-31g(d).qchem.inp (generated)

000853441.b3lyp_6-31g(d).gjf (generated)

000853441.b3lyp_6-31g(d).firefly.inp (generated)

000853441.b3lyp_6-31g(d).smash.inp (generated)

000853441.b3lyp_6-31g(d).nwchem.inp (generated) 000853441.b3lyp_6-31g(d).log.xz 000853441.td-b3lyp_6-31g+(d).inp 000853441.td-b3lyp_6-31g+(d).log.xz

000853441.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853441.td-b3lyp_6-31+g(d).gjf (generated)

000853441.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853441.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853441.mol 000853441.PUBCHEM 000853441.mol (via Jmol)
000853442.b3lyp_6-31g(d).inp

000853442.b3lyp_6-31g(d).qchem.inp (generated)

000853442.b3lyp_6-31g(d).gjf (generated)

000853442.b3lyp_6-31g(d).firefly.inp (generated)

000853442.b3lyp_6-31g(d).smash.inp (generated)

000853442.b3lyp_6-31g(d).nwchem.inp (generated) 000853442.b3lyp_6-31g(d).log.xz 000853442.td-b3lyp_6-31g+(d).inp 000853442.td-b3lyp_6-31g+(d).log.xz

000853442.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853442.td-b3lyp_6-31+g(d).gjf (generated)

000853442.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853442.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853442.mol 000853442.PUBCHEM 000853442.mol (via Jmol)
000853443.b3lyp_6-31g(d).inp

000853443.b3lyp_6-31g(d).qchem.inp (generated)

000853443.b3lyp_6-31g(d).gjf (generated)

000853443.b3lyp_6-31g(d).firefly.inp (generated)

000853443.b3lyp_6-31g(d).smash.inp (generated)

000853443.b3lyp_6-31g(d).nwchem.inp (generated) 000853443.b3lyp_6-31g(d).log.xz 000853443.mol 000853443.PUBCHEM 000853443.mol (via Jmol)
000853445.b3lyp_6-31g(d).inp

000853445.b3lyp_6-31g(d).qchem.inp (generated)

000853445.b3lyp_6-31g(d).gjf (generated)

000853445.b3lyp_6-31g(d).firefly.inp (generated)

000853445.b3lyp_6-31g(d).smash.inp (generated)

000853445.b3lyp_6-31g(d).nwchem.inp (generated) 000853445.b3lyp_6-31g(d).log.xz 000853445.td-b3lyp_6-31g+(d).inp 000853445.td-b3lyp_6-31g+(d).log.xz

000853445.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853445.td-b3lyp_6-31+g(d).gjf (generated)

000853445.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853445.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853445.mol 000853445.PUBCHEM 000853445.mol (via Jmol)
000853448.b3lyp_6-31g(d).inp

000853448.b3lyp_6-31g(d).qchem.inp (generated)

000853448.b3lyp_6-31g(d).gjf (generated)

000853448.b3lyp_6-31g(d).firefly.inp (generated)

000853448.b3lyp_6-31g(d).smash.inp (generated)

000853448.b3lyp_6-31g(d).nwchem.inp (generated) 000853448.b3lyp_6-31g(d).log.xz 000853448.td-b3lyp_6-31g+(d).inp 000853448.td-b3lyp_6-31g+(d).log.xz

000853448.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853448.td-b3lyp_6-31+g(d).gjf (generated)

000853448.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853448.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853448.mol 000853448.PUBCHEM 000853448.mol (via Jmol)
000853457.b3lyp_6-31g(d).inp

000853457.b3lyp_6-31g(d).qchem.inp (generated)

000853457.b3lyp_6-31g(d).gjf (generated)

000853457.b3lyp_6-31g(d).firefly.inp (generated)

000853457.b3lyp_6-31g(d).smash.inp (generated)

000853457.b3lyp_6-31g(d).nwchem.inp (generated) 000853457.b3lyp_6-31g(d).log.xz 000853457.td-b3lyp_6-31g+(d).inp 000853457.td-b3lyp_6-31g+(d).log.xz

000853457.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853457.td-b3lyp_6-31+g(d).gjf (generated)

000853457.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853457.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853457.mol 000853457.PUBCHEM 000853457.mol (via Jmol)
000853459.b3lyp_6-31g(d).inp

000853459.b3lyp_6-31g(d).qchem.inp (generated)

000853459.b3lyp_6-31g(d).gjf (generated)

000853459.b3lyp_6-31g(d).firefly.inp (generated)

000853459.b3lyp_6-31g(d).smash.inp (generated)

000853459.b3lyp_6-31g(d).nwchem.inp (generated) 000853459.b3lyp_6-31g(d).log.xz 000853459.td-b3lyp_6-31g+(d).inp 000853459.td-b3lyp_6-31g+(d).log.xz

000853459.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853459.td-b3lyp_6-31+g(d).gjf (generated)

000853459.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853459.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853459.mol 000853459.PUBCHEM 000853459.mol (via Jmol)
000853460.b3lyp_6-31g(d).inp

000853460.b3lyp_6-31g(d).qchem.inp (generated)

000853460.b3lyp_6-31g(d).gjf (generated)

000853460.b3lyp_6-31g(d).firefly.inp (generated)

000853460.b3lyp_6-31g(d).smash.inp (generated)

000853460.b3lyp_6-31g(d).nwchem.inp (generated) 000853460.b3lyp_6-31g(d).log.xz 000853460.td-b3lyp_6-31g+(d).inp 000853460.td-b3lyp_6-31g+(d).log.xz

000853460.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853460.td-b3lyp_6-31+g(d).gjf (generated)

000853460.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853460.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853460.mol 000853460.PUBCHEM 000853460.mol (via Jmol)
000853461.b3lyp_6-31g(d).inp

000853461.b3lyp_6-31g(d).qchem.inp (generated)

000853461.b3lyp_6-31g(d).gjf (generated)

000853461.b3lyp_6-31g(d).firefly.inp (generated)

000853461.b3lyp_6-31g(d).smash.inp (generated)

000853461.b3lyp_6-31g(d).nwchem.inp (generated) 000853461.b3lyp_6-31g(d).log.xz 000853461.td-b3lyp_6-31g+(d).inp 000853461.td-b3lyp_6-31g+(d).log.xz

000853461.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853461.td-b3lyp_6-31+g(d).gjf (generated)

000853461.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853461.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853461.mol 000853461.PUBCHEM 000853461.mol (via Jmol)
000853470.b3lyp_6-31g(d).inp

000853470.b3lyp_6-31g(d).qchem.inp (generated)

000853470.b3lyp_6-31g(d).gjf (generated)

000853470.b3lyp_6-31g(d).firefly.inp (generated)

000853470.b3lyp_6-31g(d).smash.inp (generated)

000853470.b3lyp_6-31g(d).nwchem.inp (generated) 000853470.b3lyp_6-31g(d).log.xz 000853470.td-b3lyp_6-31g+(d).inp 000853470.td-b3lyp_6-31g+(d).log.xz

000853470.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853470.td-b3lyp_6-31+g(d).gjf (generated)

000853470.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853470.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853470.mol 000853470.PUBCHEM 000853470.mol (via Jmol)
000853471.b3lyp_6-31g(d).inp

000853471.b3lyp_6-31g(d).qchem.inp (generated)

000853471.b3lyp_6-31g(d).gjf (generated)

000853471.b3lyp_6-31g(d).firefly.inp (generated)

000853471.b3lyp_6-31g(d).smash.inp (generated)

000853471.b3lyp_6-31g(d).nwchem.inp (generated) 000853471.b3lyp_6-31g(d).log.xz 000853471.td-b3lyp_6-31g+(d).inp 000853471.td-b3lyp_6-31g+(d).log.xz

000853471.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853471.td-b3lyp_6-31+g(d).gjf (generated)

000853471.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853471.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853471.mol 000853471.PUBCHEM 000853471.mol (via Jmol)
000853472.b3lyp_6-31g(d).inp

000853472.b3lyp_6-31g(d).qchem.inp (generated)

000853472.b3lyp_6-31g(d).gjf (generated)

000853472.b3lyp_6-31g(d).firefly.inp (generated)

000853472.b3lyp_6-31g(d).smash.inp (generated)

000853472.b3lyp_6-31g(d).nwchem.inp (generated) 000853472.b3lyp_6-31g(d).log.xz 000853472.mol 000853472.PUBCHEM 000853472.mol (via Jmol)
000853474.b3lyp_6-31g(d).inp

000853474.b3lyp_6-31g(d).qchem.inp (generated)

000853474.b3lyp_6-31g(d).gjf (generated)

000853474.b3lyp_6-31g(d).firefly.inp (generated)

000853474.b3lyp_6-31g(d).smash.inp (generated)

000853474.b3lyp_6-31g(d).nwchem.inp (generated) 000853474.b3lyp_6-31g(d).log.xz 000853474.td-b3lyp_6-31g+(d).inp 000853474.td-b3lyp_6-31g+(d).log.xz

000853474.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853474.td-b3lyp_6-31+g(d).gjf (generated)

000853474.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853474.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853474.mol 000853474.PUBCHEM 000853474.mol (via Jmol)
000853475.b3lyp_6-31g(d).inp

000853475.b3lyp_6-31g(d).qchem.inp (generated)

000853475.b3lyp_6-31g(d).gjf (generated)

000853475.b3lyp_6-31g(d).firefly.inp (generated)

000853475.b3lyp_6-31g(d).smash.inp (generated)

000853475.b3lyp_6-31g(d).nwchem.inp (generated) 000853475.b3lyp_6-31g(d).log.xz 000853475.td-b3lyp_6-31g+(d).inp 000853475.td-b3lyp_6-31g+(d).log.xz

000853475.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853475.td-b3lyp_6-31+g(d).gjf (generated)

000853475.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853475.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853475.mol 000853475.PUBCHEM 000853475.mol (via Jmol)
000853476.b3lyp_6-31g(d).inp

000853476.b3lyp_6-31g(d).qchem.inp (generated)

000853476.b3lyp_6-31g(d).gjf (generated)

000853476.b3lyp_6-31g(d).firefly.inp (generated)

000853476.b3lyp_6-31g(d).smash.inp (generated)

000853476.b3lyp_6-31g(d).nwchem.inp (generated) 000853476.b3lyp_6-31g(d).log.xz 000853476.td-b3lyp_6-31g+(d).inp 000853476.td-b3lyp_6-31g+(d).log.xz

000853476.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853476.td-b3lyp_6-31+g(d).gjf (generated)

000853476.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853476.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853476.mol 000853476.PUBCHEM 000853476.mol (via Jmol)
000853477.b3lyp_6-31g(d).inp

000853477.b3lyp_6-31g(d).qchem.inp (generated)

000853477.b3lyp_6-31g(d).gjf (generated)

000853477.b3lyp_6-31g(d).firefly.inp (generated)

000853477.b3lyp_6-31g(d).smash.inp (generated)

000853477.b3lyp_6-31g(d).nwchem.inp (generated) 000853477.b3lyp_6-31g(d).log.xz 000853477.td-b3lyp_6-31g+(d).inp 000853477.td-b3lyp_6-31g+(d).log.xz

000853477.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853477.td-b3lyp_6-31+g(d).gjf (generated)

000853477.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853477.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853477.mol 000853477.PUBCHEM 000853477.mol (via Jmol)
000853479.b3lyp_6-31g(d).inp

000853479.b3lyp_6-31g(d).qchem.inp (generated)

000853479.b3lyp_6-31g(d).gjf (generated)

000853479.b3lyp_6-31g(d).firefly.inp (generated)

000853479.b3lyp_6-31g(d).smash.inp (generated)

000853479.b3lyp_6-31g(d).nwchem.inp (generated) 000853479.b3lyp_6-31g(d).log.xz 000853479.td-b3lyp_6-31g+(d).inp 000853479.td-b3lyp_6-31g+(d).log.xz

000853479.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853479.td-b3lyp_6-31+g(d).gjf (generated)

000853479.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853479.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853479.mol 000853479.PUBCHEM 000853479.mol (via Jmol)
000853489.b3lyp_6-31g(d).inp

000853489.b3lyp_6-31g(d).qchem.inp (generated)

000853489.b3lyp_6-31g(d).gjf (generated)

000853489.b3lyp_6-31g(d).firefly.inp (generated)

000853489.b3lyp_6-31g(d).smash.inp (generated)

000853489.b3lyp_6-31g(d).nwchem.inp (generated) 000853489.b3lyp_6-31g(d).log.xz 000853489.td-b3lyp_6-31g+(d).inp 000853489.td-b3lyp_6-31g+(d).log.xz

000853489.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853489.td-b3lyp_6-31+g(d).gjf (generated)

000853489.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853489.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853489.mol 000853489.PUBCHEM 000853489.mol (via Jmol)
000853491.b3lyp_6-31g(d).inp

000853491.b3lyp_6-31g(d).qchem.inp (generated)

000853491.b3lyp_6-31g(d).gjf (generated)

000853491.b3lyp_6-31g(d).firefly.inp (generated)

000853491.b3lyp_6-31g(d).smash.inp (generated)

000853491.b3lyp_6-31g(d).nwchem.inp (generated) 000853491.b3lyp_6-31g(d).log.xz 000853491.td-b3lyp_6-31g+(d).inp 000853491.td-b3lyp_6-31g+(d).log.xz

000853491.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853491.td-b3lyp_6-31+g(d).gjf (generated)

000853491.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853491.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853491.mol 000853491.PUBCHEM 000853491.mol (via Jmol)
000853496.b3lyp_6-31g(d).inp

000853496.b3lyp_6-31g(d).qchem.inp (generated)

000853496.b3lyp_6-31g(d).gjf (generated)

000853496.b3lyp_6-31g(d).firefly.inp (generated)

000853496.b3lyp_6-31g(d).smash.inp (generated)

000853496.b3lyp_6-31g(d).nwchem.inp (generated) 000853496.b3lyp_6-31g(d).log.xz 000853496.td-b3lyp_6-31g+(d).inp 000853496.td-b3lyp_6-31g+(d).log.xz

000853496.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853496.td-b3lyp_6-31+g(d).gjf (generated)

000853496.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853496.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853496.mol 000853496.PUBCHEM 000853496.mol (via Jmol)
000853511.b3lyp_6-31g(d).inp

000853511.b3lyp_6-31g(d).qchem.inp (generated)

000853511.b3lyp_6-31g(d).gjf (generated)

000853511.b3lyp_6-31g(d).firefly.inp (generated)

000853511.b3lyp_6-31g(d).smash.inp (generated)

000853511.b3lyp_6-31g(d).nwchem.inp (generated) 000853511.b3lyp_6-31g(d).log.xz 000853511.td-b3lyp_6-31g+(d).inp 000853511.td-b3lyp_6-31g+(d).log.xz

000853511.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853511.td-b3lyp_6-31+g(d).gjf (generated)

000853511.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853511.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853511.mol 000853511.PUBCHEM 000853511.mol (via Jmol)
000853512.b3lyp_6-31g(d).inp

000853512.b3lyp_6-31g(d).qchem.inp (generated)

000853512.b3lyp_6-31g(d).gjf (generated)

000853512.b3lyp_6-31g(d).firefly.inp (generated)

000853512.b3lyp_6-31g(d).smash.inp (generated)

000853512.b3lyp_6-31g(d).nwchem.inp (generated) 000853512.b3lyp_6-31g(d).log.xz 000853512.td-b3lyp_6-31g+(d).inp 000853512.td-b3lyp_6-31g+(d).log.xz

000853512.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853512.td-b3lyp_6-31+g(d).gjf (generated)

000853512.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853512.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853512.mol 000853512.PUBCHEM 000853512.mol (via Jmol)
000853513.b3lyp_6-31g(d).inp

000853513.b3lyp_6-31g(d).qchem.inp (generated)

000853513.b3lyp_6-31g(d).gjf (generated)

000853513.b3lyp_6-31g(d).firefly.inp (generated)

000853513.b3lyp_6-31g(d).smash.inp (generated)

000853513.b3lyp_6-31g(d).nwchem.inp (generated) 000853513.b3lyp_6-31g(d).log.xz 000853513.td-b3lyp_6-31g+(d).inp 000853513.td-b3lyp_6-31g+(d).log.xz

000853513.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853513.td-b3lyp_6-31+g(d).gjf (generated)

000853513.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853513.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853513.mol 000853513.PUBCHEM 000853513.mol (via Jmol)
000853522.b3lyp_6-31g(d).inp

000853522.b3lyp_6-31g(d).qchem.inp (generated)

000853522.b3lyp_6-31g(d).gjf (generated)

000853522.b3lyp_6-31g(d).firefly.inp (generated)

000853522.b3lyp_6-31g(d).smash.inp (generated)

000853522.b3lyp_6-31g(d).nwchem.inp (generated) 000853522.b3lyp_6-31g(d).log.xz 000853522.td-b3lyp_6-31g+(d).inp 000853522.td-b3lyp_6-31g+(d).log.xz

000853522.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853522.td-b3lyp_6-31+g(d).gjf (generated)

000853522.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853522.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853522.mol 000853522.PUBCHEM 000853522.mol (via Jmol)
000853547.b3lyp_6-31g(d).inp

000853547.b3lyp_6-31g(d).qchem.inp (generated)

000853547.b3lyp_6-31g(d).gjf (generated)

000853547.b3lyp_6-31g(d).firefly.inp (generated)

000853547.b3lyp_6-31g(d).smash.inp (generated)

000853547.b3lyp_6-31g(d).nwchem.inp (generated) 000853547.b3lyp_6-31g(d).log.xz 000853547.td-b3lyp_6-31g+(d).inp 000853547.td-b3lyp_6-31g+(d).log.xz

000853547.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853547.td-b3lyp_6-31+g(d).gjf (generated)

000853547.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853547.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853547.mol 000853547.PUBCHEM 000853547.mol (via Jmol)
000853553.b3lyp_6-31g(d).inp

000853553.b3lyp_6-31g(d).qchem.inp (generated)

000853553.b3lyp_6-31g(d).gjf (generated)

000853553.b3lyp_6-31g(d).firefly.inp (generated)

000853553.b3lyp_6-31g(d).smash.inp (generated)

000853553.b3lyp_6-31g(d).nwchem.inp (generated) 000853553.b3lyp_6-31g(d).log.xz 000853553.td-b3lyp_6-31g+(d).inp 000853553.td-b3lyp_6-31g+(d).log.xz

000853553.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853553.td-b3lyp_6-31+g(d).gjf (generated)

000853553.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853553.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853553.mol 000853553.PUBCHEM 000853553.mol (via Jmol)
000853554.b3lyp_6-31g(d).inp

000853554.b3lyp_6-31g(d).qchem.inp (generated)

000853554.b3lyp_6-31g(d).gjf (generated)

000853554.b3lyp_6-31g(d).firefly.inp (generated)

000853554.b3lyp_6-31g(d).smash.inp (generated)

000853554.b3lyp_6-31g(d).nwchem.inp (generated) 000853554.b3lyp_6-31g(d).log.xz 000853554.td-b3lyp_6-31g+(d).inp 000853554.td-b3lyp_6-31g+(d).log.xz

000853554.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853554.td-b3lyp_6-31+g(d).gjf (generated)

000853554.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853554.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853554.mol 000853554.PUBCHEM 000853554.mol (via Jmol)
000853555.b3lyp_6-31g(d).inp

000853555.b3lyp_6-31g(d).qchem.inp (generated)

000853555.b3lyp_6-31g(d).gjf (generated)

000853555.b3lyp_6-31g(d).firefly.inp (generated)

000853555.b3lyp_6-31g(d).smash.inp (generated)

000853555.b3lyp_6-31g(d).nwchem.inp (generated) 000853555.b3lyp_6-31g(d).log.xz 000853555.mol 000853555.PUBCHEM 000853555.mol (via Jmol)
000853559.b3lyp_6-31g(d).inp

000853559.b3lyp_6-31g(d).qchem.inp (generated)

000853559.b3lyp_6-31g(d).gjf (generated)

000853559.b3lyp_6-31g(d).firefly.inp (generated)

000853559.b3lyp_6-31g(d).smash.inp (generated)

000853559.b3lyp_6-31g(d).nwchem.inp (generated) 000853559.b3lyp_6-31g(d).log.xz 000853559.td-b3lyp_6-31g+(d).inp 000853559.td-b3lyp_6-31g+(d).log.xz

000853559.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853559.td-b3lyp_6-31+g(d).gjf (generated)

000853559.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853559.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853559.mol 000853559.PUBCHEM 000853559.mol (via Jmol)
000853561.b3lyp_6-31g(d).inp

000853561.b3lyp_6-31g(d).qchem.inp (generated)

000853561.b3lyp_6-31g(d).gjf (generated)

000853561.b3lyp_6-31g(d).firefly.inp (generated)

000853561.b3lyp_6-31g(d).smash.inp (generated)

000853561.b3lyp_6-31g(d).nwchem.inp (generated) 000853561.b3lyp_6-31g(d).log.xz 000853561.td-b3lyp_6-31g+(d).inp 000853561.td-b3lyp_6-31g+(d).log.xz

000853561.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853561.td-b3lyp_6-31+g(d).gjf (generated)

000853561.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853561.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853561.mol 000853561.PUBCHEM 000853561.mol (via Jmol)
000853562.b3lyp_6-31g(d).inp

000853562.b3lyp_6-31g(d).qchem.inp (generated)

000853562.b3lyp_6-31g(d).gjf (generated)

000853562.b3lyp_6-31g(d).firefly.inp (generated)

000853562.b3lyp_6-31g(d).smash.inp (generated)

000853562.b3lyp_6-31g(d).nwchem.inp (generated) 000853562.b3lyp_6-31g(d).log.xz 000853562.td-b3lyp_6-31g+(d).inp 000853562.td-b3lyp_6-31g+(d).log.xz

000853562.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853562.td-b3lyp_6-31+g(d).gjf (generated)

000853562.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853562.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853562.mol 000853562.PUBCHEM 000853562.mol (via Jmol)
000853564.b3lyp_6-31g(d).inp

000853564.b3lyp_6-31g(d).qchem.inp (generated)

000853564.b3lyp_6-31g(d).gjf (generated)

000853564.b3lyp_6-31g(d).firefly.inp (generated)

000853564.b3lyp_6-31g(d).smash.inp (generated)

000853564.b3lyp_6-31g(d).nwchem.inp (generated) 000853564.b3lyp_6-31g(d).log.xz 000853564.td-b3lyp_6-31g+(d).inp 000853564.td-b3lyp_6-31g+(d).log.xz

000853564.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853564.td-b3lyp_6-31+g(d).gjf (generated)

000853564.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853564.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853564.mol 000853564.PUBCHEM 000853564.mol (via Jmol)
000853566.b3lyp_6-31g(d).inp

000853566.b3lyp_6-31g(d).qchem.inp (generated)

000853566.b3lyp_6-31g(d).gjf (generated)

000853566.b3lyp_6-31g(d).firefly.inp (generated)

000853566.b3lyp_6-31g(d).smash.inp (generated)

000853566.b3lyp_6-31g(d).nwchem.inp (generated) 000853566.b3lyp_6-31g(d).log.xz 000853566.td-b3lyp_6-31g+(d).inp 000853566.td-b3lyp_6-31g+(d).log.xz

000853566.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853566.td-b3lyp_6-31+g(d).gjf (generated)

000853566.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853566.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853566.mol 000853566.PUBCHEM 000853566.mol (via Jmol)
000853567.b3lyp_6-31g(d).inp

000853567.b3lyp_6-31g(d).qchem.inp (generated)

000853567.b3lyp_6-31g(d).gjf (generated)

000853567.b3lyp_6-31g(d).firefly.inp (generated)

000853567.b3lyp_6-31g(d).smash.inp (generated)

000853567.b3lyp_6-31g(d).nwchem.inp (generated) 000853567.b3lyp_6-31g(d).log.xz 000853567.td-b3lyp_6-31g+(d).inp 000853567.td-b3lyp_6-31g+(d).log.xz

000853567.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853567.td-b3lyp_6-31+g(d).gjf (generated)

000853567.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853567.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853567.mol 000853567.PUBCHEM 000853567.mol (via Jmol)
000853568.b3lyp_6-31g(d).inp

000853568.b3lyp_6-31g(d).qchem.inp (generated)

000853568.b3lyp_6-31g(d).gjf (generated)

000853568.b3lyp_6-31g(d).firefly.inp (generated)

000853568.b3lyp_6-31g(d).smash.inp (generated)

000853568.b3lyp_6-31g(d).nwchem.inp (generated) 000853568.b3lyp_6-31g(d).log.xz 000853568.td-b3lyp_6-31g+(d).inp 000853568.td-b3lyp_6-31g+(d).log.xz

000853568.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853568.td-b3lyp_6-31+g(d).gjf (generated)

000853568.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853568.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853568.mol 000853568.PUBCHEM 000853568.mol (via Jmol)
000853569.b3lyp_6-31g(d).inp

000853569.b3lyp_6-31g(d).qchem.inp (generated)

000853569.b3lyp_6-31g(d).gjf (generated)

000853569.b3lyp_6-31g(d).firefly.inp (generated)

000853569.b3lyp_6-31g(d).smash.inp (generated)

000853569.b3lyp_6-31g(d).nwchem.inp (generated) 000853569.b3lyp_6-31g(d).log.xz 000853569.td-b3lyp_6-31g+(d).inp 000853569.td-b3lyp_6-31g+(d).log.xz

000853569.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853569.td-b3lyp_6-31+g(d).gjf (generated)

000853569.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853569.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853569.mol 000853569.PUBCHEM 000853569.mol (via Jmol)
000853570.b3lyp_6-31g(d).inp

000853570.b3lyp_6-31g(d).qchem.inp (generated)

000853570.b3lyp_6-31g(d).gjf (generated)

000853570.b3lyp_6-31g(d).firefly.inp (generated)

000853570.b3lyp_6-31g(d).smash.inp (generated)

000853570.b3lyp_6-31g(d).nwchem.inp (generated) 000853570.b3lyp_6-31g(d).log.xz 000853570.td-b3lyp_6-31g+(d).inp 000853570.td-b3lyp_6-31g+(d).log.xz

000853570.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853570.td-b3lyp_6-31+g(d).gjf (generated)

000853570.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853570.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853570.mol 000853570.PUBCHEM 000853570.mol (via Jmol)
000853571.b3lyp_6-31g(d).inp

000853571.b3lyp_6-31g(d).qchem.inp (generated)

000853571.b3lyp_6-31g(d).gjf (generated)

000853571.b3lyp_6-31g(d).firefly.inp (generated)

000853571.b3lyp_6-31g(d).smash.inp (generated)

000853571.b3lyp_6-31g(d).nwchem.inp (generated) 000853571.b3lyp_6-31g(d).log.xz 000853571.td-b3lyp_6-31g+(d).inp 000853571.td-b3lyp_6-31g+(d).log.xz

000853571.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853571.td-b3lyp_6-31+g(d).gjf (generated)

000853571.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853571.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853571.mol 000853571.PUBCHEM 000853571.mol (via Jmol)
000853572.b3lyp_6-31g(d).inp

000853572.b3lyp_6-31g(d).qchem.inp (generated)

000853572.b3lyp_6-31g(d).gjf (generated)

000853572.b3lyp_6-31g(d).firefly.inp (generated)

000853572.b3lyp_6-31g(d).smash.inp (generated)

000853572.b3lyp_6-31g(d).nwchem.inp (generated) 000853572.b3lyp_6-31g(d).log.xz 000853572.td-b3lyp_6-31g+(d).inp 000853572.td-b3lyp_6-31g+(d).log.xz

000853572.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853572.td-b3lyp_6-31+g(d).gjf (generated)

000853572.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853572.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853572.mol 000853572.PUBCHEM 000853572.mol (via Jmol)
000853573.b3lyp_6-31g(d).inp

000853573.b3lyp_6-31g(d).qchem.inp (generated)

000853573.b3lyp_6-31g(d).gjf (generated)

000853573.b3lyp_6-31g(d).firefly.inp (generated)

000853573.b3lyp_6-31g(d).smash.inp (generated)

000853573.b3lyp_6-31g(d).nwchem.inp (generated) 000853573.b3lyp_6-31g(d).log.xz 000853573.td-b3lyp_6-31g+(d).inp 000853573.td-b3lyp_6-31g+(d).log.xz

000853573.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853573.td-b3lyp_6-31+g(d).gjf (generated)

000853573.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853573.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853573.mol 000853573.PUBCHEM 000853573.mol (via Jmol)
000853574.b3lyp_6-31g(d).inp

000853574.b3lyp_6-31g(d).qchem.inp (generated)

000853574.b3lyp_6-31g(d).gjf (generated)

000853574.b3lyp_6-31g(d).firefly.inp (generated)

000853574.b3lyp_6-31g(d).smash.inp (generated)

000853574.b3lyp_6-31g(d).nwchem.inp (generated) 000853574.b3lyp_6-31g(d).log.xz 000853574.td-b3lyp_6-31g+(d).inp 000853574.td-b3lyp_6-31g+(d).log.xz

000853574.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853574.td-b3lyp_6-31+g(d).gjf (generated)

000853574.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853574.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853574.mol 000853574.PUBCHEM 000853574.mol (via Jmol)
000853575.b3lyp_6-31g(d).inp

000853575.b3lyp_6-31g(d).qchem.inp (generated)

000853575.b3lyp_6-31g(d).gjf (generated)

000853575.b3lyp_6-31g(d).firefly.inp (generated)

000853575.b3lyp_6-31g(d).smash.inp (generated)

000853575.b3lyp_6-31g(d).nwchem.inp (generated) 000853575.b3lyp_6-31g(d).log.xz 000853575.td-b3lyp_6-31g+(d).inp 000853575.td-b3lyp_6-31g+(d).log.xz

000853575.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853575.td-b3lyp_6-31+g(d).gjf (generated)

000853575.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853575.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853575.mol 000853575.PUBCHEM 000853575.mol (via Jmol)
000853576.b3lyp_6-31g(d).inp

000853576.b3lyp_6-31g(d).qchem.inp (generated)

000853576.b3lyp_6-31g(d).gjf (generated)

000853576.b3lyp_6-31g(d).firefly.inp (generated)

000853576.b3lyp_6-31g(d).smash.inp (generated)

000853576.b3lyp_6-31g(d).nwchem.inp (generated) 000853576.b3lyp_6-31g(d).log.xz 000853576.td-b3lyp_6-31g+(d).inp 000853576.td-b3lyp_6-31g+(d).log.xz

000853576.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853576.td-b3lyp_6-31+g(d).gjf (generated)

000853576.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853576.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853576.mol 000853576.PUBCHEM 000853576.mol (via Jmol)
000853580.b3lyp_6-31g(d).inp

000853580.b3lyp_6-31g(d).qchem.inp (generated)

000853580.b3lyp_6-31g(d).gjf (generated)

000853580.b3lyp_6-31g(d).firefly.inp (generated)

000853580.b3lyp_6-31g(d).smash.inp (generated)

000853580.b3lyp_6-31g(d).nwchem.inp (generated) 000853580.b3lyp_6-31g(d).log.xz 000853580.td-b3lyp_6-31g+(d).inp 000853580.td-b3lyp_6-31g+(d).log.xz

000853580.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853580.td-b3lyp_6-31+g(d).gjf (generated)

000853580.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853580.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853580.mol 000853580.PUBCHEM 000853580.mol (via Jmol)
000853581.b3lyp_6-31g(d).inp

000853581.b3lyp_6-31g(d).qchem.inp (generated)

000853581.b3lyp_6-31g(d).gjf (generated)

000853581.b3lyp_6-31g(d).firefly.inp (generated)

000853581.b3lyp_6-31g(d).smash.inp (generated)

000853581.b3lyp_6-31g(d).nwchem.inp (generated) 000853581.b3lyp_6-31g(d).log.xz 000853581.td-b3lyp_6-31g+(d).inp 000853581.td-b3lyp_6-31g+(d).log.xz

000853581.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853581.td-b3lyp_6-31+g(d).gjf (generated)

000853581.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853581.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853581.mol 000853581.PUBCHEM 000853581.mol (via Jmol)
000853583.b3lyp_6-31g(d).inp

000853583.b3lyp_6-31g(d).qchem.inp (generated)

000853583.b3lyp_6-31g(d).gjf (generated)

000853583.b3lyp_6-31g(d).firefly.inp (generated)

000853583.b3lyp_6-31g(d).smash.inp (generated)

000853583.b3lyp_6-31g(d).nwchem.inp (generated) 000853583.b3lyp_6-31g(d).log.xz 000853583.td-b3lyp_6-31g+(d).inp 000853583.td-b3lyp_6-31g+(d).log.xz

000853583.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853583.td-b3lyp_6-31+g(d).gjf (generated)

000853583.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853583.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853583.mol 000853583.PUBCHEM 000853583.mol (via Jmol)
000853584.b3lyp_6-31g(d).inp

000853584.b3lyp_6-31g(d).qchem.inp (generated)

000853584.b3lyp_6-31g(d).gjf (generated)

000853584.b3lyp_6-31g(d).firefly.inp (generated)

000853584.b3lyp_6-31g(d).smash.inp (generated)

000853584.b3lyp_6-31g(d).nwchem.inp (generated) 000853584.b3lyp_6-31g(d).log.xz 000853584.td-b3lyp_6-31g+(d).inp 000853584.td-b3lyp_6-31g+(d).log.xz

000853584.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853584.td-b3lyp_6-31+g(d).gjf (generated)

000853584.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853584.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853584.mol 000853584.PUBCHEM 000853584.mol (via Jmol)
000853585.b3lyp_6-31g(d).inp

000853585.b3lyp_6-31g(d).qchem.inp (generated)

000853585.b3lyp_6-31g(d).gjf (generated)

000853585.b3lyp_6-31g(d).firefly.inp (generated)

000853585.b3lyp_6-31g(d).smash.inp (generated)

000853585.b3lyp_6-31g(d).nwchem.inp (generated) 000853585.b3lyp_6-31g(d).log.xz 000853585.td-b3lyp_6-31g+(d).inp 000853585.td-b3lyp_6-31g+(d).log.xz

000853585.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853585.td-b3lyp_6-31+g(d).gjf (generated)

000853585.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853585.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853585.mol 000853585.PUBCHEM 000853585.mol (via Jmol)
000853589.b3lyp_6-31g(d).inp

000853589.b3lyp_6-31g(d).qchem.inp (generated)

000853589.b3lyp_6-31g(d).gjf (generated)

000853589.b3lyp_6-31g(d).firefly.inp (generated)

000853589.b3lyp_6-31g(d).smash.inp (generated)

000853589.b3lyp_6-31g(d).nwchem.inp (generated) 000853589.b3lyp_6-31g(d).log.xz 000853589.td-b3lyp_6-31g+(d).inp 000853589.td-b3lyp_6-31g+(d).log.xz

000853589.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853589.td-b3lyp_6-31+g(d).gjf (generated)

000853589.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853589.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853589.mol 000853589.PUBCHEM 000853589.mol (via Jmol)
000853591.b3lyp_6-31g(d).inp

000853591.b3lyp_6-31g(d).qchem.inp (generated)

000853591.b3lyp_6-31g(d).gjf (generated)

000853591.b3lyp_6-31g(d).firefly.inp (generated)

000853591.b3lyp_6-31g(d).smash.inp (generated)

000853591.b3lyp_6-31g(d).nwchem.inp (generated) 000853591.b3lyp_6-31g(d).log.xz 000853591.td-b3lyp_6-31g+(d).inp 000853591.td-b3lyp_6-31g+(d).log.xz

000853591.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853591.td-b3lyp_6-31+g(d).gjf (generated)

000853591.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853591.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853591.mol 000853591.PUBCHEM 000853591.mol (via Jmol)
000853592.b3lyp_6-31g(d).inp

000853592.b3lyp_6-31g(d).qchem.inp (generated)

000853592.b3lyp_6-31g(d).gjf (generated)

000853592.b3lyp_6-31g(d).firefly.inp (generated)

000853592.b3lyp_6-31g(d).smash.inp (generated)

000853592.b3lyp_6-31g(d).nwchem.inp (generated) 000853592.b3lyp_6-31g(d).log.xz 000853592.td-b3lyp_6-31g+(d).inp 000853592.td-b3lyp_6-31g+(d).log.xz

000853592.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853592.td-b3lyp_6-31+g(d).gjf (generated)

000853592.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853592.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853592.mol 000853592.PUBCHEM 000853592.mol (via Jmol)
000853602.b3lyp_6-31g(d).inp

000853602.b3lyp_6-31g(d).qchem.inp (generated)

000853602.b3lyp_6-31g(d).gjf (generated)

000853602.b3lyp_6-31g(d).firefly.inp (generated)

000853602.b3lyp_6-31g(d).smash.inp (generated)

000853602.b3lyp_6-31g(d).nwchem.inp (generated) 000853602.b3lyp_6-31g(d).log.xz 000853602.mol 000853602.PUBCHEM 000853602.mol (via Jmol)
000853606.b3lyp_6-31g(d).inp

000853606.b3lyp_6-31g(d).qchem.inp (generated)

000853606.b3lyp_6-31g(d).gjf (generated)

000853606.b3lyp_6-31g(d).firefly.inp (generated)

000853606.b3lyp_6-31g(d).smash.inp (generated)

000853606.b3lyp_6-31g(d).nwchem.inp (generated) 000853606.b3lyp_6-31g(d).log.xz 000853606.td-b3lyp_6-31g+(d).inp 000853606.td-b3lyp_6-31g+(d).log.xz

000853606.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853606.td-b3lyp_6-31+g(d).gjf (generated)

000853606.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853606.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853606.mol 000853606.PUBCHEM 000853606.mol (via Jmol)
000853607.b3lyp_6-31g(d).inp

000853607.b3lyp_6-31g(d).qchem.inp (generated)

000853607.b3lyp_6-31g(d).gjf (generated)

000853607.b3lyp_6-31g(d).firefly.inp (generated)

000853607.b3lyp_6-31g(d).smash.inp (generated)

000853607.b3lyp_6-31g(d).nwchem.inp (generated) 000853607.b3lyp_6-31g(d).log.xz 000853607.td-b3lyp_6-31g+(d).inp 000853607.td-b3lyp_6-31g+(d).log.xz

000853607.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853607.td-b3lyp_6-31+g(d).gjf (generated)

000853607.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853607.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853607.mol 000853607.PUBCHEM 000853607.mol (via Jmol)
000853613.b3lyp_6-31g(d).inp

000853613.b3lyp_6-31g(d).qchem.inp (generated)

000853613.b3lyp_6-31g(d).gjf (generated)

000853613.b3lyp_6-31g(d).firefly.inp (generated)

000853613.b3lyp_6-31g(d).smash.inp (generated)

000853613.b3lyp_6-31g(d).nwchem.inp (generated) 000853613.b3lyp_6-31g(d).log.xz 000853613.td-b3lyp_6-31g+(d).inp 000853613.td-b3lyp_6-31g+(d).log.xz

000853613.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853613.td-b3lyp_6-31+g(d).gjf (generated)

000853613.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853613.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853613.mol 000853613.PUBCHEM 000853613.mol (via Jmol)
000853620.b3lyp_6-31g(d).inp

000853620.b3lyp_6-31g(d).qchem.inp (generated)

000853620.b3lyp_6-31g(d).gjf (generated)

000853620.b3lyp_6-31g(d).firefly.inp (generated)

000853620.b3lyp_6-31g(d).smash.inp (generated)

000853620.b3lyp_6-31g(d).nwchem.inp (generated) 000853620.b3lyp_6-31g(d).log.xz 000853620.td-b3lyp_6-31g+(d).inp 000853620.td-b3lyp_6-31g+(d).log.xz

000853620.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853620.td-b3lyp_6-31+g(d).gjf (generated)

000853620.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853620.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853620.mol 000853620.PUBCHEM 000853620.mol (via Jmol)
000853621.b3lyp_6-31g(d).inp

000853621.b3lyp_6-31g(d).qchem.inp (generated)

000853621.b3lyp_6-31g(d).gjf (generated)

000853621.b3lyp_6-31g(d).firefly.inp (generated)

000853621.b3lyp_6-31g(d).smash.inp (generated)

000853621.b3lyp_6-31g(d).nwchem.inp (generated) 000853621.b3lyp_6-31g(d).log.xz 000853621.td-b3lyp_6-31g+(d).inp 000853621.td-b3lyp_6-31g+(d).log.xz

000853621.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853621.td-b3lyp_6-31+g(d).gjf (generated)

000853621.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853621.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853621.mol 000853621.PUBCHEM 000853621.mol (via Jmol)
000853622.b3lyp_6-31g(d).inp

000853622.b3lyp_6-31g(d).qchem.inp (generated)

000853622.b3lyp_6-31g(d).gjf (generated)

000853622.b3lyp_6-31g(d).firefly.inp (generated)

000853622.b3lyp_6-31g(d).smash.inp (generated)

000853622.b3lyp_6-31g(d).nwchem.inp (generated) 000853622.b3lyp_6-31g(d).log.xz 000853622.td-b3lyp_6-31g+(d).inp 000853622.td-b3lyp_6-31g+(d).log.xz

000853622.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853622.td-b3lyp_6-31+g(d).gjf (generated)

000853622.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853622.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853622.mol 000853622.PUBCHEM 000853622.mol (via Jmol)
000853623.b3lyp_6-31g(d).inp

000853623.b3lyp_6-31g(d).qchem.inp (generated)

000853623.b3lyp_6-31g(d).gjf (generated)

000853623.b3lyp_6-31g(d).firefly.inp (generated)

000853623.b3lyp_6-31g(d).smash.inp (generated)

000853623.b3lyp_6-31g(d).nwchem.inp (generated) 000853623.b3lyp_6-31g(d).log.xz 000853623.td-b3lyp_6-31g+(d).inp 000853623.td-b3lyp_6-31g+(d).log.xz

000853623.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853623.td-b3lyp_6-31+g(d).gjf (generated)

000853623.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853623.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853623.mol 000853623.PUBCHEM 000853623.mol (via Jmol)
000853633.b3lyp_6-31g(d).inp

000853633.b3lyp_6-31g(d).qchem.inp (generated)

000853633.b3lyp_6-31g(d).gjf (generated)

000853633.b3lyp_6-31g(d).firefly.inp (generated)

000853633.b3lyp_6-31g(d).smash.inp (generated)

000853633.b3lyp_6-31g(d).nwchem.inp (generated) 000853633.b3lyp_6-31g(d).log.xz 000853633.td-b3lyp_6-31g+(d).inp 000853633.td-b3lyp_6-31g+(d).log.xz

000853633.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853633.td-b3lyp_6-31+g(d).gjf (generated)

000853633.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853633.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853633.mol 000853633.PUBCHEM 000853633.mol (via Jmol)
000853634.b3lyp_6-31g(d).inp

000853634.b3lyp_6-31g(d).qchem.inp (generated)

000853634.b3lyp_6-31g(d).gjf (generated)

000853634.b3lyp_6-31g(d).firefly.inp (generated)

000853634.b3lyp_6-31g(d).smash.inp (generated)

000853634.b3lyp_6-31g(d).nwchem.inp (generated) 000853634.b3lyp_6-31g(d).log.xz 000853634.td-b3lyp_6-31g+(d).inp 000853634.td-b3lyp_6-31g+(d).log.xz

000853634.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853634.td-b3lyp_6-31+g(d).gjf (generated)

000853634.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853634.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853634.mol 000853634.PUBCHEM 000853634.mol (via Jmol)
000853635.b3lyp_6-31g(d).inp

000853635.b3lyp_6-31g(d).qchem.inp (generated)

000853635.b3lyp_6-31g(d).gjf (generated)

000853635.b3lyp_6-31g(d).firefly.inp (generated)

000853635.b3lyp_6-31g(d).smash.inp (generated)

000853635.b3lyp_6-31g(d).nwchem.inp (generated) 000853635.b3lyp_6-31g(d).log.xz 000853635.td-b3lyp_6-31g+(d).inp 000853635.td-b3lyp_6-31g+(d).log.xz

000853635.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853635.td-b3lyp_6-31+g(d).gjf (generated)

000853635.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853635.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853635.mol 000853635.PUBCHEM 000853635.mol (via Jmol)
000853638.b3lyp_6-31g(d).inp

000853638.b3lyp_6-31g(d).qchem.inp (generated)

000853638.b3lyp_6-31g(d).gjf (generated)

000853638.b3lyp_6-31g(d).firefly.inp (generated)

000853638.b3lyp_6-31g(d).smash.inp (generated)

000853638.b3lyp_6-31g(d).nwchem.inp (generated) 000853638.b3lyp_6-31g(d).log.xz 000853638.td-b3lyp_6-31g+(d).inp 000853638.td-b3lyp_6-31g+(d).log.xz

000853638.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853638.td-b3lyp_6-31+g(d).gjf (generated)

000853638.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853638.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853638.mol 000853638.PUBCHEM 000853638.mol (via Jmol)
000853639.b3lyp_6-31g(d).inp

000853639.b3lyp_6-31g(d).qchem.inp (generated)

000853639.b3lyp_6-31g(d).gjf (generated)

000853639.b3lyp_6-31g(d).firefly.inp (generated)

000853639.b3lyp_6-31g(d).smash.inp (generated)

000853639.b3lyp_6-31g(d).nwchem.inp (generated) 000853639.b3lyp_6-31g(d).log.xz 000853639.td-b3lyp_6-31g+(d).inp 000853639.td-b3lyp_6-31g+(d).log.xz

000853639.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853639.td-b3lyp_6-31+g(d).gjf (generated)

000853639.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853639.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853639.mol 000853639.PUBCHEM 000853639.mol (via Jmol)
000853640.b3lyp_6-31g(d).inp

000853640.b3lyp_6-31g(d).qchem.inp (generated)

000853640.b3lyp_6-31g(d).gjf (generated)

000853640.b3lyp_6-31g(d).firefly.inp (generated)

000853640.b3lyp_6-31g(d).smash.inp (generated)

000853640.b3lyp_6-31g(d).nwchem.inp (generated) 000853640.b3lyp_6-31g(d).log.xz 000853640.td-b3lyp_6-31g+(d).inp 000853640.td-b3lyp_6-31g+(d).log.xz

000853640.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853640.td-b3lyp_6-31+g(d).gjf (generated)

000853640.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853640.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853640.mol 000853640.PUBCHEM 000853640.mol (via Jmol)
000853641.b3lyp_6-31g(d).inp

000853641.b3lyp_6-31g(d).qchem.inp (generated)

000853641.b3lyp_6-31g(d).gjf (generated)

000853641.b3lyp_6-31g(d).firefly.inp (generated)

000853641.b3lyp_6-31g(d).smash.inp (generated)

000853641.b3lyp_6-31g(d).nwchem.inp (generated) 000853641.b3lyp_6-31g(d).log.xz 000853641.td-b3lyp_6-31g+(d).inp 000853641.td-b3lyp_6-31g+(d).log.xz

000853641.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853641.td-b3lyp_6-31+g(d).gjf (generated)

000853641.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853641.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853641.mol 000853641.PUBCHEM 000853641.mol (via Jmol)
000853642.b3lyp_6-31g(d).inp

000853642.b3lyp_6-31g(d).qchem.inp (generated)

000853642.b3lyp_6-31g(d).gjf (generated)

000853642.b3lyp_6-31g(d).firefly.inp (generated)

000853642.b3lyp_6-31g(d).smash.inp (generated)

000853642.b3lyp_6-31g(d).nwchem.inp (generated) 000853642.b3lyp_6-31g(d).log.xz 000853642.td-b3lyp_6-31g+(d).inp 000853642.td-b3lyp_6-31g+(d).log.xz

000853642.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853642.td-b3lyp_6-31+g(d).gjf (generated)

000853642.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853642.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853642.mol 000853642.PUBCHEM 000853642.mol (via Jmol)
000853644.b3lyp_6-31g(d).inp

000853644.b3lyp_6-31g(d).qchem.inp (generated)

000853644.b3lyp_6-31g(d).gjf (generated)

000853644.b3lyp_6-31g(d).firefly.inp (generated)

000853644.b3lyp_6-31g(d).smash.inp (generated)

000853644.b3lyp_6-31g(d).nwchem.inp (generated) 000853644.b3lyp_6-31g(d).log.xz 000853644.mol 000853644.PUBCHEM 000853644.mol (via Jmol)
000853646.b3lyp_6-31g(d).inp

000853646.b3lyp_6-31g(d).qchem.inp (generated)

000853646.b3lyp_6-31g(d).gjf (generated)

000853646.b3lyp_6-31g(d).firefly.inp (generated)

000853646.b3lyp_6-31g(d).smash.inp (generated)

000853646.b3lyp_6-31g(d).nwchem.inp (generated) 000853646.b3lyp_6-31g(d).log.xz 000853646.td-b3lyp_6-31g+(d).inp 000853646.td-b3lyp_6-31g+(d).log.xz

000853646.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853646.td-b3lyp_6-31+g(d).gjf (generated)

000853646.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853646.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853646.mol 000853646.PUBCHEM 000853646.mol (via Jmol)
000853659.b3lyp_6-31g(d).inp

000853659.b3lyp_6-31g(d).qchem.inp (generated)

000853659.b3lyp_6-31g(d).gjf (generated)

000853659.b3lyp_6-31g(d).firefly.inp (generated)

000853659.b3lyp_6-31g(d).smash.inp (generated)

000853659.b3lyp_6-31g(d).nwchem.inp (generated) 000853659.b3lyp_6-31g(d).log.xz 000853659.td-b3lyp_6-31g+(d).inp 000853659.td-b3lyp_6-31g+(d).log.xz

000853659.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853659.td-b3lyp_6-31+g(d).gjf (generated)

000853659.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853659.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853659.mol 000853659.PUBCHEM 000853659.mol (via Jmol)
000853662.b3lyp_6-31g(d).inp

000853662.b3lyp_6-31g(d).qchem.inp (generated)

000853662.b3lyp_6-31g(d).gjf (generated)

000853662.b3lyp_6-31g(d).firefly.inp (generated)

000853662.b3lyp_6-31g(d).smash.inp (generated)

000853662.b3lyp_6-31g(d).nwchem.inp (generated) 000853662.b3lyp_6-31g(d).log.xz 000853662.td-b3lyp_6-31g+(d).inp 000853662.td-b3lyp_6-31g+(d).log.xz

000853662.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853662.td-b3lyp_6-31+g(d).gjf (generated)

000853662.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853662.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853662.mol 000853662.PUBCHEM 000853662.mol (via Jmol)
000853663.b3lyp_6-31g(d).inp

000853663.b3lyp_6-31g(d).qchem.inp (generated)

000853663.b3lyp_6-31g(d).gjf (generated)

000853663.b3lyp_6-31g(d).firefly.inp (generated)

000853663.b3lyp_6-31g(d).smash.inp (generated)

000853663.b3lyp_6-31g(d).nwchem.inp (generated) 000853663.b3lyp_6-31g(d).log.xz 000853663.mol 000853663.PUBCHEM 000853663.mol (via Jmol)
000853664.b3lyp_6-31g(d).inp

000853664.b3lyp_6-31g(d).qchem.inp (generated)

000853664.b3lyp_6-31g(d).gjf (generated)

000853664.b3lyp_6-31g(d).firefly.inp (generated)

000853664.b3lyp_6-31g(d).smash.inp (generated)

000853664.b3lyp_6-31g(d).nwchem.inp (generated) 000853664.b3lyp_6-31g(d).log.xz 000853664.td-b3lyp_6-31g+(d).inp 000853664.td-b3lyp_6-31g+(d).log.xz

000853664.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853664.td-b3lyp_6-31+g(d).gjf (generated)

000853664.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853664.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853664.mol 000853664.PUBCHEM 000853664.mol (via Jmol)
000853665.b3lyp_6-31g(d).inp

000853665.b3lyp_6-31g(d).qchem.inp (generated)

000853665.b3lyp_6-31g(d).gjf (generated)

000853665.b3lyp_6-31g(d).firefly.inp (generated)

000853665.b3lyp_6-31g(d).smash.inp (generated)

000853665.b3lyp_6-31g(d).nwchem.inp (generated) 000853665.b3lyp_6-31g(d).log.xz 000853665.td-b3lyp_6-31g+(d).inp 000853665.td-b3lyp_6-31g+(d).log.xz

000853665.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853665.td-b3lyp_6-31+g(d).gjf (generated)

000853665.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853665.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853665.mol 000853665.PUBCHEM 000853665.mol (via Jmol)
000853668.b3lyp_6-31g(d).inp

000853668.b3lyp_6-31g(d).qchem.inp (generated)

000853668.b3lyp_6-31g(d).gjf (generated)

000853668.b3lyp_6-31g(d).firefly.inp (generated)

000853668.b3lyp_6-31g(d).smash.inp (generated)

000853668.b3lyp_6-31g(d).nwchem.inp (generated) 000853668.b3lyp_6-31g(d).log.xz 000853668.mol 000853668.PUBCHEM 000853668.mol (via Jmol)
000853669.b3lyp_6-31g(d).inp

000853669.b3lyp_6-31g(d).qchem.inp (generated)

000853669.b3lyp_6-31g(d).gjf (generated)

000853669.b3lyp_6-31g(d).firefly.inp (generated)

000853669.b3lyp_6-31g(d).smash.inp (generated)

000853669.b3lyp_6-31g(d).nwchem.inp (generated) 000853669.b3lyp_6-31g(d).log.xz 000853669.td-b3lyp_6-31g+(d).inp 000853669.td-b3lyp_6-31g+(d).log.xz

000853669.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853669.td-b3lyp_6-31+g(d).gjf (generated)

000853669.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853669.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853669.mol 000853669.PUBCHEM 000853669.mol (via Jmol)
000853677.b3lyp_6-31g(d).inp

000853677.b3lyp_6-31g(d).qchem.inp (generated)

000853677.b3lyp_6-31g(d).gjf (generated)

000853677.b3lyp_6-31g(d).firefly.inp (generated)

000853677.b3lyp_6-31g(d).smash.inp (generated)

000853677.b3lyp_6-31g(d).nwchem.inp (generated) 000853677.b3lyp_6-31g(d).log.xz 000853677.mol 000853677.PUBCHEM 000853677.mol (via Jmol)
000853680.b3lyp_6-31g(d).inp

000853680.b3lyp_6-31g(d).qchem.inp (generated)

000853680.b3lyp_6-31g(d).gjf (generated)

000853680.b3lyp_6-31g(d).firefly.inp (generated)

000853680.b3lyp_6-31g(d).smash.inp (generated)

000853680.b3lyp_6-31g(d).nwchem.inp (generated) 000853680.b3lyp_6-31g(d).log.xz 000853680.td-b3lyp_6-31g+(d).inp 000853680.td-b3lyp_6-31g+(d).log.xz

000853680.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853680.td-b3lyp_6-31+g(d).gjf (generated)

000853680.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853680.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853680.mol 000853680.PUBCHEM 000853680.mol (via Jmol)
000853683.b3lyp_6-31g(d).inp

000853683.b3lyp_6-31g(d).qchem.inp (generated)

000853683.b3lyp_6-31g(d).gjf (generated)

000853683.b3lyp_6-31g(d).firefly.inp (generated)

000853683.b3lyp_6-31g(d).smash.inp (generated)

000853683.b3lyp_6-31g(d).nwchem.inp (generated) 000853683.b3lyp_6-31g(d).log.xz 000853683.td-b3lyp_6-31g+(d).inp 000853683.td-b3lyp_6-31g+(d).log.xz

000853683.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853683.td-b3lyp_6-31+g(d).gjf (generated)

000853683.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853683.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853683.mol 000853683.PUBCHEM 000853683.mol (via Jmol)
000853684.b3lyp_6-31g(d).inp

000853684.b3lyp_6-31g(d).qchem.inp (generated)

000853684.b3lyp_6-31g(d).gjf (generated)

000853684.b3lyp_6-31g(d).firefly.inp (generated)

000853684.b3lyp_6-31g(d).smash.inp (generated)

000853684.b3lyp_6-31g(d).nwchem.inp (generated) 000853684.b3lyp_6-31g(d).log.xz 000853684.td-b3lyp_6-31g+(d).inp 000853684.td-b3lyp_6-31g+(d).log.xz

000853684.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853684.td-b3lyp_6-31+g(d).gjf (generated)

000853684.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853684.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853684.mol 000853684.PUBCHEM 000853684.mol (via Jmol)
000853687.b3lyp_6-31g(d).inp

000853687.b3lyp_6-31g(d).qchem.inp (generated)

000853687.b3lyp_6-31g(d).gjf (generated)

000853687.b3lyp_6-31g(d).firefly.inp (generated)

000853687.b3lyp_6-31g(d).smash.inp (generated)

000853687.b3lyp_6-31g(d).nwchem.inp (generated) 000853687.b3lyp_6-31g(d).log.xz 000853687.mol 000853687.PUBCHEM 000853687.mol (via Jmol)
000853688.b3lyp_6-31g(d).inp

000853688.b3lyp_6-31g(d).qchem.inp (generated)

000853688.b3lyp_6-31g(d).gjf (generated)

000853688.b3lyp_6-31g(d).firefly.inp (generated)

000853688.b3lyp_6-31g(d).smash.inp (generated)

000853688.b3lyp_6-31g(d).nwchem.inp (generated) 000853688.b3lyp_6-31g(d).log.xz 000853688.mol 000853688.PUBCHEM 000853688.mol (via Jmol)
000853689.b3lyp_6-31g(d).inp

000853689.b3lyp_6-31g(d).qchem.inp (generated)

000853689.b3lyp_6-31g(d).gjf (generated)

000853689.b3lyp_6-31g(d).firefly.inp (generated)

000853689.b3lyp_6-31g(d).smash.inp (generated)

000853689.b3lyp_6-31g(d).nwchem.inp (generated) 000853689.b3lyp_6-31g(d).log.xz 000853689.mol 000853689.PUBCHEM 000853689.mol (via Jmol)
000853690.b3lyp_6-31g(d).inp

000853690.b3lyp_6-31g(d).qchem.inp (generated)

000853690.b3lyp_6-31g(d).gjf (generated)

000853690.b3lyp_6-31g(d).firefly.inp (generated)

000853690.b3lyp_6-31g(d).smash.inp (generated)

000853690.b3lyp_6-31g(d).nwchem.inp (generated) 000853690.b3lyp_6-31g(d).log.xz 000853690.mol 000853690.PUBCHEM 000853690.mol (via Jmol)
000853695.b3lyp_6-31g(d).inp

000853695.b3lyp_6-31g(d).qchem.inp (generated)

000853695.b3lyp_6-31g(d).gjf (generated)

000853695.b3lyp_6-31g(d).firefly.inp (generated)

000853695.b3lyp_6-31g(d).smash.inp (generated)

000853695.b3lyp_6-31g(d).nwchem.inp (generated) 000853695.b3lyp_6-31g(d).log.xz 000853695.td-b3lyp_6-31g+(d).inp 000853695.td-b3lyp_6-31g+(d).log.xz

000853695.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853695.td-b3lyp_6-31+g(d).gjf (generated)

000853695.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853695.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853695.mol 000853695.PUBCHEM 000853695.mol (via Jmol)
000853696.b3lyp_6-31g(d).inp

000853696.b3lyp_6-31g(d).qchem.inp (generated)

000853696.b3lyp_6-31g(d).gjf (generated)

000853696.b3lyp_6-31g(d).firefly.inp (generated)

000853696.b3lyp_6-31g(d).smash.inp (generated)

000853696.b3lyp_6-31g(d).nwchem.inp (generated) 000853696.b3lyp_6-31g(d).log.xz 000853696.td-b3lyp_6-31g+(d).inp 000853696.td-b3lyp_6-31g+(d).log.xz

000853696.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853696.td-b3lyp_6-31+g(d).gjf (generated)

000853696.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853696.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853696.mol 000853696.PUBCHEM 000853696.mol (via Jmol)
000853697.b3lyp_6-31g(d).inp

000853697.b3lyp_6-31g(d).qchem.inp (generated)

000853697.b3lyp_6-31g(d).gjf (generated)

000853697.b3lyp_6-31g(d).firefly.inp (generated)

000853697.b3lyp_6-31g(d).smash.inp (generated)

000853697.b3lyp_6-31g(d).nwchem.inp (generated) 000853697.b3lyp_6-31g(d).log.xz 000853697.td-b3lyp_6-31g+(d).inp 000853697.td-b3lyp_6-31g+(d).log.xz

000853697.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853697.td-b3lyp_6-31+g(d).gjf (generated)

000853697.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853697.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853697.mol 000853697.PUBCHEM 000853697.mol (via Jmol)
000853698.b3lyp_6-31g(d).inp

000853698.b3lyp_6-31g(d).qchem.inp (generated)

000853698.b3lyp_6-31g(d).gjf (generated)

000853698.b3lyp_6-31g(d).firefly.inp (generated)

000853698.b3lyp_6-31g(d).smash.inp (generated)

000853698.b3lyp_6-31g(d).nwchem.inp (generated) 000853698.b3lyp_6-31g(d).log.xz 000853698.td-b3lyp_6-31g+(d).inp 000853698.td-b3lyp_6-31g+(d).log.xz

000853698.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853698.td-b3lyp_6-31+g(d).gjf (generated)

000853698.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853698.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853698.mol 000853698.PUBCHEM 000853698.mol (via Jmol)
000853713.b3lyp_6-31g(d).inp

000853713.b3lyp_6-31g(d).qchem.inp (generated)

000853713.b3lyp_6-31g(d).gjf (generated)

000853713.b3lyp_6-31g(d).firefly.inp (generated)

000853713.b3lyp_6-31g(d).smash.inp (generated)

000853713.b3lyp_6-31g(d).nwchem.inp (generated) 000853713.b3lyp_6-31g(d).log.xz 000853713.td-b3lyp_6-31g+(d).inp 000853713.td-b3lyp_6-31g+(d).log.xz

000853713.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853713.td-b3lyp_6-31+g(d).gjf (generated)

000853713.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853713.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853713.mol 000853713.PUBCHEM 000853713.mol (via Jmol)
000853714.b3lyp_6-31g(d).inp

000853714.b3lyp_6-31g(d).qchem.inp (generated)

000853714.b3lyp_6-31g(d).gjf (generated)

000853714.b3lyp_6-31g(d).firefly.inp (generated)

000853714.b3lyp_6-31g(d).smash.inp (generated)

000853714.b3lyp_6-31g(d).nwchem.inp (generated) 000853714.b3lyp_6-31g(d).log.xz 000853714.td-b3lyp_6-31g+(d).inp 000853714.td-b3lyp_6-31g+(d).log.xz

000853714.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853714.td-b3lyp_6-31+g(d).gjf (generated)

000853714.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853714.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853714.mol 000853714.PUBCHEM 000853714.mol (via Jmol)
000853718.b3lyp_6-31g(d).inp

000853718.b3lyp_6-31g(d).qchem.inp (generated)

000853718.b3lyp_6-31g(d).gjf (generated)

000853718.b3lyp_6-31g(d).firefly.inp (generated)

000853718.b3lyp_6-31g(d).smash.inp (generated)

000853718.b3lyp_6-31g(d).nwchem.inp (generated) 000853718.b3lyp_6-31g(d).log.xz 000853718.mol 000853718.PUBCHEM 000853718.mol (via Jmol)
000853719.b3lyp_6-31g(d).inp

000853719.b3lyp_6-31g(d).qchem.inp (generated)

000853719.b3lyp_6-31g(d).gjf (generated)

000853719.b3lyp_6-31g(d).firefly.inp (generated)

000853719.b3lyp_6-31g(d).smash.inp (generated)

000853719.b3lyp_6-31g(d).nwchem.inp (generated) 000853719.b3lyp_6-31g(d).log.xz 000853719.td-b3lyp_6-31g+(d).inp 000853719.td-b3lyp_6-31g+(d).log.xz

000853719.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853719.td-b3lyp_6-31+g(d).gjf (generated)

000853719.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853719.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853719.mol 000853719.PUBCHEM 000853719.mol (via Jmol)
000853733.b3lyp_6-31g(d).inp

000853733.b3lyp_6-31g(d).qchem.inp (generated)

000853733.b3lyp_6-31g(d).gjf (generated)

000853733.b3lyp_6-31g(d).firefly.inp (generated)

000853733.b3lyp_6-31g(d).smash.inp (generated)

000853733.b3lyp_6-31g(d).nwchem.inp (generated) 000853733.b3lyp_6-31g(d).log.xz 000853733.td-b3lyp_6-31g+(d).inp 000853733.td-b3lyp_6-31g+(d).log.xz

000853733.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853733.td-b3lyp_6-31+g(d).gjf (generated)

000853733.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853733.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853733.mol 000853733.PUBCHEM 000853733.mol (via Jmol)
000853734.b3lyp_6-31g(d).inp

000853734.b3lyp_6-31g(d).qchem.inp (generated)

000853734.b3lyp_6-31g(d).gjf (generated)

000853734.b3lyp_6-31g(d).firefly.inp (generated)

000853734.b3lyp_6-31g(d).smash.inp (generated)

000853734.b3lyp_6-31g(d).nwchem.inp (generated) 000853734.b3lyp_6-31g(d).log.xz 000853734.td-b3lyp_6-31g+(d).inp 000853734.td-b3lyp_6-31g+(d).log.xz

000853734.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853734.td-b3lyp_6-31+g(d).gjf (generated)

000853734.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853734.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853734.mol 000853734.PUBCHEM 000853734.mol (via Jmol)
000853747.b3lyp_6-31g(d).inp

000853747.b3lyp_6-31g(d).qchem.inp (generated)

000853747.b3lyp_6-31g(d).gjf (generated)

000853747.b3lyp_6-31g(d).firefly.inp (generated)

000853747.b3lyp_6-31g(d).smash.inp (generated)

000853747.b3lyp_6-31g(d).nwchem.inp (generated) 000853747.b3lyp_6-31g(d).log.xz 000853747.td-b3lyp_6-31g+(d).inp 000853747.td-b3lyp_6-31g+(d).log.xz

000853747.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853747.td-b3lyp_6-31+g(d).gjf (generated)

000853747.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853747.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853747.mol 000853747.PUBCHEM 000853747.mol (via Jmol)
000853748.b3lyp_6-31g(d).inp

000853748.b3lyp_6-31g(d).qchem.inp (generated)

000853748.b3lyp_6-31g(d).gjf (generated)

000853748.b3lyp_6-31g(d).firefly.inp (generated)

000853748.b3lyp_6-31g(d).smash.inp (generated)

000853748.b3lyp_6-31g(d).nwchem.inp (generated) 000853748.b3lyp_6-31g(d).log.xz 000853748.td-b3lyp_6-31g+(d).inp 000853748.td-b3lyp_6-31g+(d).log.xz

000853748.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853748.td-b3lyp_6-31+g(d).gjf (generated)

000853748.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853748.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853748.mol 000853748.PUBCHEM 000853748.mol (via Jmol)
000853749.b3lyp_6-31g(d).inp

000853749.b3lyp_6-31g(d).qchem.inp (generated)

000853749.b3lyp_6-31g(d).gjf (generated)

000853749.b3lyp_6-31g(d).firefly.inp (generated)

000853749.b3lyp_6-31g(d).smash.inp (generated)

000853749.b3lyp_6-31g(d).nwchem.inp (generated) 000853749.b3lyp_6-31g(d).log.xz 000853749.td-b3lyp_6-31g+(d).inp 000853749.td-b3lyp_6-31g+(d).log.xz

000853749.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853749.td-b3lyp_6-31+g(d).gjf (generated)

000853749.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853749.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853749.mol 000853749.PUBCHEM 000853749.mol (via Jmol)
000853750.b3lyp_6-31g(d).inp

000853750.b3lyp_6-31g(d).qchem.inp (generated)

000853750.b3lyp_6-31g(d).gjf (generated)

000853750.b3lyp_6-31g(d).firefly.inp (generated)

000853750.b3lyp_6-31g(d).smash.inp (generated)

000853750.b3lyp_6-31g(d).nwchem.inp (generated) 000853750.b3lyp_6-31g(d).log.xz 000853750.mol 000853750.PUBCHEM 000853750.mol (via Jmol)
000853753.b3lyp_6-31g(d).inp

000853753.b3lyp_6-31g(d).qchem.inp (generated)

000853753.b3lyp_6-31g(d).gjf (generated)

000853753.b3lyp_6-31g(d).firefly.inp (generated)

000853753.b3lyp_6-31g(d).smash.inp (generated)

000853753.b3lyp_6-31g(d).nwchem.inp (generated) 000853753.b3lyp_6-31g(d).log.xz 000853753.td-b3lyp_6-31g+(d).inp 000853753.td-b3lyp_6-31g+(d).log.xz

000853753.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853753.td-b3lyp_6-31+g(d).gjf (generated)

000853753.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853753.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853753.mol 000853753.PUBCHEM 000853753.mol (via Jmol)
000853756.b3lyp_6-31g(d).inp

000853756.b3lyp_6-31g(d).qchem.inp (generated)

000853756.b3lyp_6-31g(d).gjf (generated)

000853756.b3lyp_6-31g(d).firefly.inp (generated)

000853756.b3lyp_6-31g(d).smash.inp (generated)

000853756.b3lyp_6-31g(d).nwchem.inp (generated) 000853756.b3lyp_6-31g(d).log.xz 000853756.td-b3lyp_6-31g+(d).inp 000853756.td-b3lyp_6-31g+(d).log.xz

000853756.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853756.td-b3lyp_6-31+g(d).gjf (generated)

000853756.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853756.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853756.mol 000853756.PUBCHEM 000853756.mol (via Jmol)
000853762.b3lyp_6-31g(d).inp

000853762.b3lyp_6-31g(d).qchem.inp (generated)

000853762.b3lyp_6-31g(d).gjf (generated)

000853762.b3lyp_6-31g(d).firefly.inp (generated)

000853762.b3lyp_6-31g(d).smash.inp (generated)

000853762.b3lyp_6-31g(d).nwchem.inp (generated) 000853762.b3lyp_6-31g(d).log.xz 000853762.td-b3lyp_6-31g+(d).inp 000853762.td-b3lyp_6-31g+(d).log.xz

000853762.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853762.td-b3lyp_6-31+g(d).gjf (generated)

000853762.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853762.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853762.mol 000853762.PUBCHEM 000853762.mol (via Jmol)
000853769.b3lyp_6-31g(d).inp

000853769.b3lyp_6-31g(d).qchem.inp (generated)

000853769.b3lyp_6-31g(d).gjf (generated)

000853769.b3lyp_6-31g(d).firefly.inp (generated)

000853769.b3lyp_6-31g(d).smash.inp (generated)

000853769.b3lyp_6-31g(d).nwchem.inp (generated) 000853769.b3lyp_6-31g(d).log.xz 000853769.mol 000853769.PUBCHEM 000853769.mol (via Jmol)
000853770.b3lyp_6-31g(d).inp

000853770.b3lyp_6-31g(d).qchem.inp (generated)

000853770.b3lyp_6-31g(d).gjf (generated)

000853770.b3lyp_6-31g(d).firefly.inp (generated)

000853770.b3lyp_6-31g(d).smash.inp (generated)

000853770.b3lyp_6-31g(d).nwchem.inp (generated) 000853770.b3lyp_6-31g(d).log.xz 000853770.mol 000853770.PUBCHEM 000853770.mol (via Jmol)
000853772.b3lyp_6-31g(d).inp

000853772.b3lyp_6-31g(d).qchem.inp (generated)

000853772.b3lyp_6-31g(d).gjf (generated)

000853772.b3lyp_6-31g(d).firefly.inp (generated)

000853772.b3lyp_6-31g(d).smash.inp (generated)

000853772.b3lyp_6-31g(d).nwchem.inp (generated) 000853772.b3lyp_6-31g(d).log.xz 000853772.mol 000853772.PUBCHEM 000853772.mol (via Jmol)
000853773.b3lyp_6-31g(d).inp

000853773.b3lyp_6-31g(d).qchem.inp (generated)

000853773.b3lyp_6-31g(d).gjf (generated)

000853773.b3lyp_6-31g(d).firefly.inp (generated)

000853773.b3lyp_6-31g(d).smash.inp (generated)

000853773.b3lyp_6-31g(d).nwchem.inp (generated) 000853773.b3lyp_6-31g(d).log.xz 000853773.mol 000853773.PUBCHEM 000853773.mol (via Jmol)
000853774.b3lyp_6-31g(d).inp

000853774.b3lyp_6-31g(d).qchem.inp (generated)

000853774.b3lyp_6-31g(d).gjf (generated)

000853774.b3lyp_6-31g(d).firefly.inp (generated)

000853774.b3lyp_6-31g(d).smash.inp (generated)

000853774.b3lyp_6-31g(d).nwchem.inp (generated) 000853774.b3lyp_6-31g(d).log.xz 000853774.td-b3lyp_6-31g+(d).inp 000853774.td-b3lyp_6-31g+(d).log.xz

000853774.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853774.td-b3lyp_6-31+g(d).gjf (generated)

000853774.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853774.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853774.mol 000853774.PUBCHEM 000853774.mol (via Jmol)
000853782.b3lyp_6-31g(d).inp

000853782.b3lyp_6-31g(d).qchem.inp (generated)

000853782.b3lyp_6-31g(d).gjf (generated)

000853782.b3lyp_6-31g(d).firefly.inp (generated)

000853782.b3lyp_6-31g(d).smash.inp (generated)

000853782.b3lyp_6-31g(d).nwchem.inp (generated) 000853782.b3lyp_6-31g(d).log.xz 000853782.td-b3lyp_6-31g+(d).inp 000853782.td-b3lyp_6-31g+(d).log.xz

000853782.td-b3lyp_6-31+g(d).qchem.inp (generated)

000853782.td-b3lyp_6-31+g(d).gjf (generated)

000853782.td-b3lyp_6-31+g(d).firefly.inp (generated)

000853782.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000853782.mol 000853782.PUBCHEM 000853782.mol (via Jmol)
000853783.b3lyp_6-3