Index of

Last updated : Thu Aug 17 01:52:36 JST 2017
Total : 232 (196) in this page
051100027.b3lyp_6-31g(d).inp

051100027.b3lyp_6-31g(d).qchem.inp (generated)

051100027.b3lyp_6-31g(d).gjf (generated)

051100027.b3lyp_6-31g(d).firefly.inp (generated)

051100027.b3lyp_6-31g(d).smash.inp (generated)

051100027.b3lyp_6-31g(d).nwchem.inp (generated) 051100027.b3lyp_6-31g(d).log.xz 051100027.td-b3lyp_6-31g+(d).inp 051100027.td-b3lyp_6-31g+(d).log.xz

051100027.td-b3lyp_6-31+g(d).qchem.inp (generated)

051100027.td-b3lyp_6-31+g(d).gjf (generated)

051100027.td-b3lyp_6-31+g(d).firefly.inp (generated)

051100027.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051100027.mol 051100027.PUBCHEM 051100027.mol (via Jmol)
051100116.b3lyp_6-31g(d).inp

051100116.b3lyp_6-31g(d).qchem.inp (generated)

051100116.b3lyp_6-31g(d).gjf (generated)

051100116.b3lyp_6-31g(d).firefly.inp (generated)

051100116.b3lyp_6-31g(d).smash.inp (generated)

051100116.b3lyp_6-31g(d).nwchem.inp (generated) 051100116.b3lyp_6-31g(d).log.xz 051100116.mol 051100116.PUBCHEM 051100116.mol (via Jmol)
051100213.b3lyp_6-31g(d).inp

051100213.b3lyp_6-31g(d).qchem.inp (generated)

051100213.b3lyp_6-31g(d).gjf (generated)

051100213.b3lyp_6-31g(d).firefly.inp (generated)

051100213.b3lyp_6-31g(d).smash.inp (generated)

051100213.b3lyp_6-31g(d).nwchem.inp (generated) 051100213.b3lyp_6-31g(d).log.xz 051100213.td-b3lyp_6-31g+(d).inp 051100213.td-b3lyp_6-31g+(d).log.xz

051100213.td-b3lyp_6-31+g(d).qchem.inp (generated)

051100213.td-b3lyp_6-31+g(d).gjf (generated)

051100213.td-b3lyp_6-31+g(d).firefly.inp (generated)

051100213.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051100213.mol 051100213.PUBCHEM 051100213.mol (via Jmol)
051100361.b3lyp_6-31g(d).inp

051100361.b3lyp_6-31g(d).qchem.inp (generated)

051100361.b3lyp_6-31g(d).gjf (generated)

051100361.b3lyp_6-31g(d).firefly.inp (generated)

051100361.b3lyp_6-31g(d).smash.inp (generated)

051100361.b3lyp_6-31g(d).nwchem.inp (generated) 051100361.b3lyp_6-31g(d).log.xz 051100361.td-b3lyp_6-31g+(d).inp 051100361.td-b3lyp_6-31g+(d).log.xz

051100361.td-b3lyp_6-31+g(d).qchem.inp (generated)

051100361.td-b3lyp_6-31+g(d).gjf (generated)

051100361.td-b3lyp_6-31+g(d).firefly.inp (generated)

051100361.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051100361.mol 051100361.PUBCHEM 051100361.mol (via Jmol)
051100376.b3lyp_6-31g(d).inp

051100376.b3lyp_6-31g(d).qchem.inp (generated)

051100376.b3lyp_6-31g(d).gjf (generated)

051100376.b3lyp_6-31g(d).firefly.inp (generated)

051100376.b3lyp_6-31g(d).smash.inp (generated)

051100376.b3lyp_6-31g(d).nwchem.inp (generated) 051100376.b3lyp_6-31g(d).log.xz 051100376.mol 051100376.PUBCHEM 051100376.mol (via Jmol)
051100463.b3lyp_6-31g(d).inp

051100463.b3lyp_6-31g(d).qchem.inp (generated)

051100463.b3lyp_6-31g(d).gjf (generated)

051100463.b3lyp_6-31g(d).firefly.inp (generated)

051100463.b3lyp_6-31g(d).smash.inp (generated)

051100463.b3lyp_6-31g(d).nwchem.inp (generated) 051100463.b3lyp_6-31g(d).log.xz 051100463.td-b3lyp_6-31g+(d).inp 051100463.td-b3lyp_6-31g+(d).log.xz

051100463.td-b3lyp_6-31+g(d).qchem.inp (generated)

051100463.td-b3lyp_6-31+g(d).gjf (generated)

051100463.td-b3lyp_6-31+g(d).firefly.inp (generated)

051100463.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051100463.mol 051100463.PUBCHEM 051100463.mol (via Jmol)
051100679.b3lyp_6-31g(d).inp

051100679.b3lyp_6-31g(d).qchem.inp (generated)

051100679.b3lyp_6-31g(d).gjf (generated)

051100679.b3lyp_6-31g(d).firefly.inp (generated)

051100679.b3lyp_6-31g(d).smash.inp (generated)

051100679.b3lyp_6-31g(d).nwchem.inp (generated) 051100679.b3lyp_6-31g(d).log.xz 051100679.td-b3lyp_6-31g+(d).inp 051100679.td-b3lyp_6-31g+(d).log.xz

051100679.td-b3lyp_6-31+g(d).qchem.inp (generated)

051100679.td-b3lyp_6-31+g(d).gjf (generated)

051100679.td-b3lyp_6-31+g(d).firefly.inp (generated)

051100679.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051100679.mol 051100679.PUBCHEM 051100679.mol (via Jmol)
051100705.b3lyp_6-31g(d).inp

051100705.b3lyp_6-31g(d).qchem.inp (generated)

051100705.b3lyp_6-31g(d).gjf (generated)

051100705.b3lyp_6-31g(d).firefly.inp (generated)

051100705.b3lyp_6-31g(d).smash.inp (generated)

051100705.b3lyp_6-31g(d).nwchem.inp (generated) 051100705.b3lyp_6-31g(d).log.xz 051100705.mol 051100705.PUBCHEM 051100705.mol (via Jmol)
051100919.b3lyp_6-31g(d).inp

051100919.b3lyp_6-31g(d).qchem.inp (generated)

051100919.b3lyp_6-31g(d).gjf (generated)

051100919.b3lyp_6-31g(d).firefly.inp (generated)

051100919.b3lyp_6-31g(d).smash.inp (generated)

051100919.b3lyp_6-31g(d).nwchem.inp (generated) 051100919.b3lyp_6-31g(d).log.xz 051100919.td-b3lyp_6-31g+(d).inp 051100919.td-b3lyp_6-31g+(d).log.xz

051100919.td-b3lyp_6-31+g(d).qchem.inp (generated)

051100919.td-b3lyp_6-31+g(d).gjf (generated)

051100919.td-b3lyp_6-31+g(d).firefly.inp (generated)

051100919.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051100919.mol 051100919.PUBCHEM 051100919.mol (via Jmol)
051100993.b3lyp_6-31g(d).inp

051100993.b3lyp_6-31g(d).qchem.inp (generated)

051100993.b3lyp_6-31g(d).gjf (generated)

051100993.b3lyp_6-31g(d).firefly.inp (generated)

051100993.b3lyp_6-31g(d).smash.inp (generated)

051100993.b3lyp_6-31g(d).nwchem.inp (generated) 051100993.b3lyp_6-31g(d).log.xz 051100993.td-b3lyp_6-31g+(d).inp 051100993.td-b3lyp_6-31g+(d).log.xz

051100993.td-b3lyp_6-31+g(d).qchem.inp (generated)

051100993.td-b3lyp_6-31+g(d).gjf (generated)

051100993.td-b3lyp_6-31+g(d).firefly.inp (generated)

051100993.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051100993.mol 051100993.PUBCHEM 051100993.mol (via Jmol)
051101091.b3lyp_6-31g(d).inp

051101091.b3lyp_6-31g(d).qchem.inp (generated)

051101091.b3lyp_6-31g(d).gjf (generated)

051101091.b3lyp_6-31g(d).firefly.inp (generated)

051101091.b3lyp_6-31g(d).smash.inp (generated)

051101091.b3lyp_6-31g(d).nwchem.inp (generated) 051101091.b3lyp_6-31g(d).log.xz 051101091.td-b3lyp_6-31g+(d).inp 051101091.td-b3lyp_6-31g+(d).log.xz

051101091.td-b3lyp_6-31+g(d).qchem.inp (generated)

051101091.td-b3lyp_6-31+g(d).gjf (generated)

051101091.td-b3lyp_6-31+g(d).firefly.inp (generated)

051101091.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051101091.mol 051101091.PUBCHEM 051101091.mol (via Jmol)
051101092.b3lyp_6-31g(d).inp

051101092.b3lyp_6-31g(d).qchem.inp (generated)

051101092.b3lyp_6-31g(d).gjf (generated)

051101092.b3lyp_6-31g(d).firefly.inp (generated)

051101092.b3lyp_6-31g(d).smash.inp (generated)

051101092.b3lyp_6-31g(d).nwchem.inp (generated) 051101092.b3lyp_6-31g(d).log.xz 051101092.td-b3lyp_6-31g+(d).inp 051101092.td-b3lyp_6-31g+(d).log.xz

051101092.td-b3lyp_6-31+g(d).qchem.inp (generated)

051101092.td-b3lyp_6-31+g(d).gjf (generated)

051101092.td-b3lyp_6-31+g(d).firefly.inp (generated)

051101092.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051101092.mol 051101092.PUBCHEM 051101092.mol (via Jmol)
051101121.b3lyp_6-31g(d).inp

051101121.b3lyp_6-31g(d).qchem.inp (generated)

051101121.b3lyp_6-31g(d).gjf (generated)

051101121.b3lyp_6-31g(d).firefly.inp (generated)

051101121.b3lyp_6-31g(d).smash.inp (generated)

051101121.b3lyp_6-31g(d).nwchem.inp (generated) 051101121.b3lyp_6-31g(d).log.xz 051101121.td-b3lyp_6-31g+(d).inp 051101121.td-b3lyp_6-31g+(d).log.xz

051101121.td-b3lyp_6-31+g(d).qchem.inp (generated)

051101121.td-b3lyp_6-31+g(d).gjf (generated)

051101121.td-b3lyp_6-31+g(d).firefly.inp (generated)

051101121.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051101121.mol 051101121.PUBCHEM 051101121.mol (via Jmol)
051101242.b3lyp_6-31g(d).inp

051101242.b3lyp_6-31g(d).qchem.inp (generated)

051101242.b3lyp_6-31g(d).gjf (generated)

051101242.b3lyp_6-31g(d).firefly.inp (generated)

051101242.b3lyp_6-31g(d).smash.inp (generated)

051101242.b3lyp_6-31g(d).nwchem.inp (generated) 051101242.b3lyp_6-31g(d).log.xz 051101242.mol 051101242.PUBCHEM 051101242.mol (via Jmol)
051101302.b3lyp_6-31g(d).inp

051101302.b3lyp_6-31g(d).qchem.inp (generated)

051101302.b3lyp_6-31g(d).gjf (generated)

051101302.b3lyp_6-31g(d).firefly.inp (generated)

051101302.b3lyp_6-31g(d).smash.inp (generated)

051101302.b3lyp_6-31g(d).nwchem.inp (generated) 051101302.b3lyp_6-31g(d).log.xz 051101302.mol 051101302.PUBCHEM 051101302.mol (via Jmol)
051101617.b3lyp_6-31g(d).inp

051101617.b3lyp_6-31g(d).qchem.inp (generated)

051101617.b3lyp_6-31g(d).gjf (generated)

051101617.b3lyp_6-31g(d).firefly.inp (generated)

051101617.b3lyp_6-31g(d).smash.inp (generated)

051101617.b3lyp_6-31g(d).nwchem.inp (generated) 051101617.b3lyp_6-31g(d).log.xz 051101617.td-b3lyp_6-31g+(d).inp 051101617.td-b3lyp_6-31g+(d).log.xz

051101617.td-b3lyp_6-31+g(d).qchem.inp (generated)

051101617.td-b3lyp_6-31+g(d).gjf (generated)

051101617.td-b3lyp_6-31+g(d).firefly.inp (generated)

051101617.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051101617.mol 051101617.PUBCHEM 051101617.mol (via Jmol)
051102113.b3lyp_6-31g(d).inp

051102113.b3lyp_6-31g(d).qchem.inp (generated)

051102113.b3lyp_6-31g(d).gjf (generated)

051102113.b3lyp_6-31g(d).firefly.inp (generated)

051102113.b3lyp_6-31g(d).smash.inp (generated)

051102113.b3lyp_6-31g(d).nwchem.inp (generated) 051102113.b3lyp_6-31g(d).log.xz 051102113.td-b3lyp_6-31g+(d).inp 051102113.td-b3lyp_6-31g+(d).log.xz

051102113.td-b3lyp_6-31+g(d).qchem.inp (generated)

051102113.td-b3lyp_6-31+g(d).gjf (generated)

051102113.td-b3lyp_6-31+g(d).firefly.inp (generated)

051102113.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051102113.mol 051102113.PUBCHEM 051102113.mol (via Jmol)
051102168.b3lyp_6-31g(d).inp

051102168.b3lyp_6-31g(d).qchem.inp (generated)

051102168.b3lyp_6-31g(d).gjf (generated)

051102168.b3lyp_6-31g(d).firefly.inp (generated)

051102168.b3lyp_6-31g(d).smash.inp (generated)

051102168.b3lyp_6-31g(d).nwchem.inp (generated) 051102168.b3lyp_6-31g(d).log.xz 051102168.td-b3lyp_6-31g+(d).inp 051102168.td-b3lyp_6-31g+(d).log.xz

051102168.td-b3lyp_6-31+g(d).qchem.inp (generated)

051102168.td-b3lyp_6-31+g(d).gjf (generated)

051102168.td-b3lyp_6-31+g(d).firefly.inp (generated)

051102168.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051102168.mol 051102168.PUBCHEM 051102168.mol (via Jmol)
051102175.b3lyp_6-31g(d).inp

051102175.b3lyp_6-31g(d).qchem.inp (generated)

051102175.b3lyp_6-31g(d).gjf (generated)

051102175.b3lyp_6-31g(d).firefly.inp (generated)

051102175.b3lyp_6-31g(d).smash.inp (generated)

051102175.b3lyp_6-31g(d).nwchem.inp (generated) 051102175.b3lyp_6-31g(d).log.xz 051102175.td-b3lyp_6-31g+(d).inp 051102175.td-b3lyp_6-31g+(d).log.xz

051102175.td-b3lyp_6-31+g(d).qchem.inp (generated)

051102175.td-b3lyp_6-31+g(d).gjf (generated)

051102175.td-b3lyp_6-31+g(d).firefly.inp (generated)

051102175.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051102175.mol 051102175.PUBCHEM 051102175.mol (via Jmol)
051102223.b3lyp_6-31g(d).inp

051102223.b3lyp_6-31g(d).qchem.inp (generated)

051102223.b3lyp_6-31g(d).gjf (generated)

051102223.b3lyp_6-31g(d).firefly.inp (generated)

051102223.b3lyp_6-31g(d).smash.inp (generated)

051102223.b3lyp_6-31g(d).nwchem.inp (generated) 051102223.b3lyp_6-31g(d).log.xz 051102223.td-b3lyp_6-31g+(d).inp 051102223.td-b3lyp_6-31g+(d).log.xz

051102223.td-b3lyp_6-31+g(d).qchem.inp (generated)

051102223.td-b3lyp_6-31+g(d).gjf (generated)

051102223.td-b3lyp_6-31+g(d).firefly.inp (generated)

051102223.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051102223.mol 051102223.PUBCHEM 051102223.mol (via Jmol)
051102229.b3lyp_6-31g(d).inp

051102229.b3lyp_6-31g(d).qchem.inp (generated)

051102229.b3lyp_6-31g(d).gjf (generated)

051102229.b3lyp_6-31g(d).firefly.inp (generated)

051102229.b3lyp_6-31g(d).smash.inp (generated)

051102229.b3lyp_6-31g(d).nwchem.inp (generated) 051102229.b3lyp_6-31g(d).log.xz 051102229.td-b3lyp_6-31g+(d).inp 051102229.td-b3lyp_6-31g+(d).log.xz

051102229.td-b3lyp_6-31+g(d).qchem.inp (generated)

051102229.td-b3lyp_6-31+g(d).gjf (generated)

051102229.td-b3lyp_6-31+g(d).firefly.inp (generated)

051102229.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051102229.mol 051102229.PUBCHEM 051102229.mol (via Jmol)
051102642.b3lyp_6-31g(d).inp

051102642.b3lyp_6-31g(d).qchem.inp (generated)

051102642.b3lyp_6-31g(d).gjf (generated)

051102642.b3lyp_6-31g(d).firefly.inp (generated)

051102642.b3lyp_6-31g(d).smash.inp (generated)

051102642.b3lyp_6-31g(d).nwchem.inp (generated) 051102642.b3lyp_6-31g(d).log.xz 051102642.mol 051102642.PUBCHEM 051102642.mol (via Jmol)
051102672.b3lyp_6-31g(d).inp

051102672.b3lyp_6-31g(d).qchem.inp (generated)

051102672.b3lyp_6-31g(d).gjf (generated)

051102672.b3lyp_6-31g(d).firefly.inp (generated)

051102672.b3lyp_6-31g(d).smash.inp (generated)

051102672.b3lyp_6-31g(d).nwchem.inp (generated) 051102672.b3lyp_6-31g(d).log.xz 051102672.td-b3lyp_6-31g+(d).inp 051102672.td-b3lyp_6-31g+(d).log.xz

051102672.td-b3lyp_6-31+g(d).qchem.inp (generated)

051102672.td-b3lyp_6-31+g(d).gjf (generated)

051102672.td-b3lyp_6-31+g(d).firefly.inp (generated)

051102672.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051102672.mol 051102672.PUBCHEM 051102672.mol (via Jmol)
051102817.b3lyp_6-31g(d).inp

051102817.b3lyp_6-31g(d).qchem.inp (generated)

051102817.b3lyp_6-31g(d).gjf (generated)

051102817.b3lyp_6-31g(d).firefly.inp (generated)

051102817.b3lyp_6-31g(d).smash.inp (generated)

051102817.b3lyp_6-31g(d).nwchem.inp (generated) 051102817.b3lyp_6-31g(d).log.xz 051102817.td-b3lyp_6-31g+(d).inp 051102817.td-b3lyp_6-31g+(d).log.xz

051102817.td-b3lyp_6-31+g(d).qchem.inp (generated)

051102817.td-b3lyp_6-31+g(d).gjf (generated)

051102817.td-b3lyp_6-31+g(d).firefly.inp (generated)

051102817.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051102817.mol 051102817.PUBCHEM 051102817.mol (via Jmol)
051102967.b3lyp_6-31g(d).inp

051102967.b3lyp_6-31g(d).qchem.inp (generated)

051102967.b3lyp_6-31g(d).gjf (generated)

051102967.b3lyp_6-31g(d).firefly.inp (generated)

051102967.b3lyp_6-31g(d).smash.inp (generated)

051102967.b3lyp_6-31g(d).nwchem.inp (generated) 051102967.b3lyp_6-31g(d).log.xz 051102967.td-b3lyp_6-31g+(d).inp 051102967.td-b3lyp_6-31g+(d).log.xz

051102967.td-b3lyp_6-31+g(d).qchem.inp (generated)

051102967.td-b3lyp_6-31+g(d).gjf (generated)

051102967.td-b3lyp_6-31+g(d).firefly.inp (generated)

051102967.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051102967.mol 051102967.PUBCHEM 051102967.mol (via Jmol)
051103096.b3lyp_6-31g(d).inp

051103096.b3lyp_6-31g(d).qchem.inp (generated)

051103096.b3lyp_6-31g(d).gjf (generated)

051103096.b3lyp_6-31g(d).firefly.inp (generated)

051103096.b3lyp_6-31g(d).smash.inp (generated)

051103096.b3lyp_6-31g(d).nwchem.inp (generated) 051103096.b3lyp_6-31g(d).log.xz 051103096.td-b3lyp_6-31g+(d).inp 051103096.td-b3lyp_6-31g+(d).log.xz

051103096.td-b3lyp_6-31+g(d).qchem.inp (generated)

051103096.td-b3lyp_6-31+g(d).gjf (generated)

051103096.td-b3lyp_6-31+g(d).firefly.inp (generated)

051103096.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051103096.mol 051103096.PUBCHEM 051103096.mol (via Jmol)
051103098.b3lyp_6-31g(d).inp

051103098.b3lyp_6-31g(d).qchem.inp (generated)

051103098.b3lyp_6-31g(d).gjf (generated)

051103098.b3lyp_6-31g(d).firefly.inp (generated)

051103098.b3lyp_6-31g(d).smash.inp (generated)

051103098.b3lyp_6-31g(d).nwchem.inp (generated) 051103098.b3lyp_6-31g(d).log.xz 051103098.mol 051103098.PUBCHEM 051103098.mol (via Jmol)
051103100.b3lyp_6-31g(d).inp

051103100.b3lyp_6-31g(d).qchem.inp (generated)

051103100.b3lyp_6-31g(d).gjf (generated)

051103100.b3lyp_6-31g(d).firefly.inp (generated)

051103100.b3lyp_6-31g(d).smash.inp (generated)

051103100.b3lyp_6-31g(d).nwchem.inp (generated) 051103100.b3lyp_6-31g(d).log.xz 051103100.td-b3lyp_6-31g+(d).inp 051103100.td-b3lyp_6-31g+(d).log.xz

051103100.td-b3lyp_6-31+g(d).qchem.inp (generated)

051103100.td-b3lyp_6-31+g(d).gjf (generated)

051103100.td-b3lyp_6-31+g(d).firefly.inp (generated)

051103100.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051103100.mol 051103100.PUBCHEM 051103100.mol (via Jmol)
051103110.b3lyp_6-31g(d).inp

051103110.b3lyp_6-31g(d).qchem.inp (generated)

051103110.b3lyp_6-31g(d).gjf (generated)

051103110.b3lyp_6-31g(d).firefly.inp (generated)

051103110.b3lyp_6-31g(d).smash.inp (generated)

051103110.b3lyp_6-31g(d).nwchem.inp (generated) 051103110.b3lyp_6-31g(d).log.xz 051103110.td-b3lyp_6-31g+(d).inp 051103110.td-b3lyp_6-31g+(d).log.xz

051103110.td-b3lyp_6-31+g(d).qchem.inp (generated)

051103110.td-b3lyp_6-31+g(d).gjf (generated)

051103110.td-b3lyp_6-31+g(d).firefly.inp (generated)

051103110.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051103110.mol 051103110.PUBCHEM 051103110.mol (via Jmol)
051103117.b3lyp_6-31g(d).inp

051103117.b3lyp_6-31g(d).qchem.inp (generated)

051103117.b3lyp_6-31g(d).gjf (generated)

051103117.b3lyp_6-31g(d).firefly.inp (generated)

051103117.b3lyp_6-31g(d).smash.inp (generated)

051103117.b3lyp_6-31g(d).nwchem.inp (generated) 051103117.b3lyp_6-31g(d).log.xz 051103117.td-b3lyp_6-31g+(d).inp 051103117.td-b3lyp_6-31g+(d).log.xz

051103117.td-b3lyp_6-31+g(d).qchem.inp (generated)

051103117.td-b3lyp_6-31+g(d).gjf (generated)

051103117.td-b3lyp_6-31+g(d).firefly.inp (generated)

051103117.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051103117.mol 051103117.PUBCHEM 051103117.mol (via Jmol)
051103148.b3lyp_6-31g(d).inp

051103148.b3lyp_6-31g(d).qchem.inp (generated)

051103148.b3lyp_6-31g(d).gjf (generated)

051103148.b3lyp_6-31g(d).firefly.inp (generated)

051103148.b3lyp_6-31g(d).smash.inp (generated)

051103148.b3lyp_6-31g(d).nwchem.inp (generated) 051103148.b3lyp_6-31g(d).log.xz 051103148.mol 051103148.PUBCHEM 051103148.mol (via Jmol)
051103442.b3lyp_6-31g(d).inp

051103442.b3lyp_6-31g(d).qchem.inp (generated)

051103442.b3lyp_6-31g(d).gjf (generated)

051103442.b3lyp_6-31g(d).firefly.inp (generated)

051103442.b3lyp_6-31g(d).smash.inp (generated)

051103442.b3lyp_6-31g(d).nwchem.inp (generated) 051103442.b3lyp_6-31g(d).log.xz 051103442.mol 051103442.PUBCHEM 051103442.mol (via Jmol)
051103587.b3lyp_6-31g(d).inp

051103587.b3lyp_6-31g(d).qchem.inp (generated)

051103587.b3lyp_6-31g(d).gjf (generated)

051103587.b3lyp_6-31g(d).firefly.inp (generated)

051103587.b3lyp_6-31g(d).smash.inp (generated)

051103587.b3lyp_6-31g(d).nwchem.inp (generated) 051103587.b3lyp_6-31g(d).log.xz 051103587.td-b3lyp_6-31g+(d).inp 051103587.td-b3lyp_6-31g+(d).log.xz

051103587.td-b3lyp_6-31+g(d).qchem.inp (generated)

051103587.td-b3lyp_6-31+g(d).gjf (generated)

051103587.td-b3lyp_6-31+g(d).firefly.inp (generated)

051103587.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051103587.mol 051103587.PUBCHEM 051103587.mol (via Jmol)
051103596.b3lyp_6-31g(d).inp

051103596.b3lyp_6-31g(d).qchem.inp (generated)

051103596.b3lyp_6-31g(d).gjf (generated)

051103596.b3lyp_6-31g(d).firefly.inp (generated)

051103596.b3lyp_6-31g(d).smash.inp (generated)

051103596.b3lyp_6-31g(d).nwchem.inp (generated) 051103596.b3lyp_6-31g(d).log.xz 051103596.td-b3lyp_6-31g+(d).inp 051103596.td-b3lyp_6-31g+(d).log.xz

051103596.td-b3lyp_6-31+g(d).qchem.inp (generated)

051103596.td-b3lyp_6-31+g(d).gjf (generated)

051103596.td-b3lyp_6-31+g(d).firefly.inp (generated)

051103596.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051103596.mol 051103596.PUBCHEM 051103596.mol (via Jmol)
051103686.b3lyp_6-31g(d).inp

051103686.b3lyp_6-31g(d).qchem.inp (generated)

051103686.b3lyp_6-31g(d).gjf (generated)

051103686.b3lyp_6-31g(d).firefly.inp (generated)

051103686.b3lyp_6-31g(d).smash.inp (generated)

051103686.b3lyp_6-31g(d).nwchem.inp (generated) 051103686.b3lyp_6-31g(d).log.xz 051103686.td-b3lyp_6-31g+(d).inp 051103686.td-b3lyp_6-31g+(d).log.xz

051103686.td-b3lyp_6-31+g(d).qchem.inp (generated)

051103686.td-b3lyp_6-31+g(d).gjf (generated)

051103686.td-b3lyp_6-31+g(d).firefly.inp (generated)

051103686.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051103686.mol 051103686.PUBCHEM 051103686.mol (via Jmol)
051103790.b3lyp_6-31g(d).inp

051103790.b3lyp_6-31g(d).qchem.inp (generated)

051103790.b3lyp_6-31g(d).gjf (generated)

051103790.b3lyp_6-31g(d).firefly.inp (generated)

051103790.b3lyp_6-31g(d).smash.inp (generated)

051103790.b3lyp_6-31g(d).nwchem.inp (generated) 051103790.b3lyp_6-31g(d).log.xz 051103790.td-b3lyp_6-31g+(d).inp 051103790.td-b3lyp_6-31g+(d).log.xz

051103790.td-b3lyp_6-31+g(d).qchem.inp (generated)

051103790.td-b3lyp_6-31+g(d).gjf (generated)

051103790.td-b3lyp_6-31+g(d).firefly.inp (generated)

051103790.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051103790.mol 051103790.PUBCHEM 051103790.mol (via Jmol)
051103791.b3lyp_6-31g(d).inp

051103791.b3lyp_6-31g(d).qchem.inp (generated)

051103791.b3lyp_6-31g(d).gjf (generated)

051103791.b3lyp_6-31g(d).firefly.inp (generated)

051103791.b3lyp_6-31g(d).smash.inp (generated)

051103791.b3lyp_6-31g(d).nwchem.inp (generated) 051103791.b3lyp_6-31g(d).log.xz 051103791.mol 051103791.PUBCHEM 051103791.mol (via Jmol)
051104182.b3lyp_6-31g(d).inp

051104182.b3lyp_6-31g(d).qchem.inp (generated)

051104182.b3lyp_6-31g(d).gjf (generated)

051104182.b3lyp_6-31g(d).firefly.inp (generated)

051104182.b3lyp_6-31g(d).smash.inp (generated)

051104182.b3lyp_6-31g(d).nwchem.inp (generated) 051104182.b3lyp_6-31g(d).log.xz 051104182.mol 051104182.PUBCHEM 051104182.mol (via Jmol)
051104189.b3lyp_6-31g(d).inp

051104189.b3lyp_6-31g(d).qchem.inp (generated)

051104189.b3lyp_6-31g(d).gjf (generated)

051104189.b3lyp_6-31g(d).firefly.inp (generated)

051104189.b3lyp_6-31g(d).smash.inp (generated)

051104189.b3lyp_6-31g(d).nwchem.inp (generated) 051104189.b3lyp_6-31g(d).log.xz 051104189.td-b3lyp_6-31g+(d).inp 051104189.td-b3lyp_6-31g+(d).log.xz

051104189.td-b3lyp_6-31+g(d).qchem.inp (generated)

051104189.td-b3lyp_6-31+g(d).gjf (generated)

051104189.td-b3lyp_6-31+g(d).firefly.inp (generated)

051104189.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051104189.mol 051104189.PUBCHEM 051104189.mol (via Jmol)
051104190.b3lyp_6-31g(d).inp

051104190.b3lyp_6-31g(d).qchem.inp (generated)

051104190.b3lyp_6-31g(d).gjf (generated)

051104190.b3lyp_6-31g(d).firefly.inp (generated)

051104190.b3lyp_6-31g(d).smash.inp (generated)

051104190.b3lyp_6-31g(d).nwchem.inp (generated) 051104190.b3lyp_6-31g(d).log.xz 051104190.td-b3lyp_6-31g+(d).inp 051104190.td-b3lyp_6-31g+(d).log.xz

051104190.td-b3lyp_6-31+g(d).qchem.inp (generated)

051104190.td-b3lyp_6-31+g(d).gjf (generated)

051104190.td-b3lyp_6-31+g(d).firefly.inp (generated)

051104190.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051104190.mol 051104190.PUBCHEM 051104190.mol (via Jmol)
051104303.b3lyp_6-31g(d).inp

051104303.b3lyp_6-31g(d).qchem.inp (generated)

051104303.b3lyp_6-31g(d).gjf (generated)

051104303.b3lyp_6-31g(d).firefly.inp (generated)

051104303.b3lyp_6-31g(d).smash.inp (generated)

051104303.b3lyp_6-31g(d).nwchem.inp (generated) 051104303.b3lyp_6-31g(d).log.xz 051104303.mol 051104303.PUBCHEM 051104303.mol (via Jmol)
051104305.b3lyp_6-31g(d).inp

051104305.b3lyp_6-31g(d).qchem.inp (generated)

051104305.b3lyp_6-31g(d).gjf (generated)

051104305.b3lyp_6-31g(d).firefly.inp (generated)

051104305.b3lyp_6-31g(d).smash.inp (generated)

051104305.b3lyp_6-31g(d).nwchem.inp (generated) 051104305.b3lyp_6-31g(d).log.xz 051104305.td-b3lyp_6-31g+(d).inp 051104305.td-b3lyp_6-31g+(d).log.xz

051104305.td-b3lyp_6-31+g(d).qchem.inp (generated)

051104305.td-b3lyp_6-31+g(d).gjf (generated)

051104305.td-b3lyp_6-31+g(d).firefly.inp (generated)

051104305.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051104305.mol 051104305.PUBCHEM 051104305.mol (via Jmol)
051104409.b3lyp_6-31g(d).inp

051104409.b3lyp_6-31g(d).qchem.inp (generated)

051104409.b3lyp_6-31g(d).gjf (generated)

051104409.b3lyp_6-31g(d).firefly.inp (generated)

051104409.b3lyp_6-31g(d).smash.inp (generated)

051104409.b3lyp_6-31g(d).nwchem.inp (generated) 051104409.b3lyp_6-31g(d).log.xz 051104409.td-b3lyp_6-31g+(d).inp 051104409.td-b3lyp_6-31g+(d).log.xz

051104409.td-b3lyp_6-31+g(d).qchem.inp (generated)

051104409.td-b3lyp_6-31+g(d).gjf (generated)

051104409.td-b3lyp_6-31+g(d).firefly.inp (generated)

051104409.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051104409.mol 051104409.PUBCHEM 051104409.mol (via Jmol)
051104411.b3lyp_6-31g(d).inp

051104411.b3lyp_6-31g(d).qchem.inp (generated)

051104411.b3lyp_6-31g(d).gjf (generated)

051104411.b3lyp_6-31g(d).firefly.inp (generated)

051104411.b3lyp_6-31g(d).smash.inp (generated)

051104411.b3lyp_6-31g(d).nwchem.inp (generated) 051104411.b3lyp_6-31g(d).log.xz 051104411.td-b3lyp_6-31g+(d).inp 051104411.td-b3lyp_6-31g+(d).log.xz

051104411.td-b3lyp_6-31+g(d).qchem.inp (generated)

051104411.td-b3lyp_6-31+g(d).gjf (generated)

051104411.td-b3lyp_6-31+g(d).firefly.inp (generated)

051104411.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051104411.mol 051104411.PUBCHEM 051104411.mol (via Jmol)
051105474.b3lyp_6-31g(d).inp

051105474.b3lyp_6-31g(d).qchem.inp (generated)

051105474.b3lyp_6-31g(d).gjf (generated)

051105474.b3lyp_6-31g(d).firefly.inp (generated)

051105474.b3lyp_6-31g(d).smash.inp (generated)

051105474.b3lyp_6-31g(d).nwchem.inp (generated) 051105474.b3lyp_6-31g(d).log.xz 051105474.td-b3lyp_6-31g+(d).inp 051105474.td-b3lyp_6-31g+(d).log.xz

051105474.td-b3lyp_6-31+g(d).qchem.inp (generated)

051105474.td-b3lyp_6-31+g(d).gjf (generated)

051105474.td-b3lyp_6-31+g(d).firefly.inp (generated)

051105474.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051105474.mol 051105474.PUBCHEM 051105474.mol (via Jmol)
051105475.b3lyp_6-31g(d).inp

051105475.b3lyp_6-31g(d).qchem.inp (generated)

051105475.b3lyp_6-31g(d).gjf (generated)

051105475.b3lyp_6-31g(d).firefly.inp (generated)

051105475.b3lyp_6-31g(d).smash.inp (generated)

051105475.b3lyp_6-31g(d).nwchem.inp (generated) 051105475.b3lyp_6-31g(d).log.xz 051105475.td-b3lyp_6-31g+(d).inp 051105475.td-b3lyp_6-31g+(d).log.xz

051105475.td-b3lyp_6-31+g(d).qchem.inp (generated)

051105475.td-b3lyp_6-31+g(d).gjf (generated)

051105475.td-b3lyp_6-31+g(d).firefly.inp (generated)

051105475.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051105475.mol 051105475.PUBCHEM 051105475.mol (via Jmol)
051105482.b3lyp_6-31g(d).inp

051105482.b3lyp_6-31g(d).qchem.inp (generated)

051105482.b3lyp_6-31g(d).gjf (generated)

051105482.b3lyp_6-31g(d).firefly.inp (generated)

051105482.b3lyp_6-31g(d).smash.inp (generated)

051105482.b3lyp_6-31g(d).nwchem.inp (generated) 051105482.b3lyp_6-31g(d).log.xz 051105482.mol 051105482.PUBCHEM 051105482.mol (via Jmol)
051105518.b3lyp_6-31g(d).inp

051105518.b3lyp_6-31g(d).qchem.inp (generated)

051105518.b3lyp_6-31g(d).gjf (generated)

051105518.b3lyp_6-31g(d).firefly.inp (generated)

051105518.b3lyp_6-31g(d).smash.inp (generated)

051105518.b3lyp_6-31g(d).nwchem.inp (generated) 051105518.b3lyp_6-31g(d).log.xz 051105518.mol 051105518.PUBCHEM 051105518.mol (via Jmol)
051105602.b3lyp_6-31g(d).inp

051105602.b3lyp_6-31g(d).qchem.inp (generated)

051105602.b3lyp_6-31g(d).gjf (generated)

051105602.b3lyp_6-31g(d).firefly.inp (generated)

051105602.b3lyp_6-31g(d).smash.inp (generated)

051105602.b3lyp_6-31g(d).nwchem.inp (generated) 051105602.b3lyp_6-31g(d).log.xz 051105602.td-b3lyp_6-31g+(d).inp 051105602.td-b3lyp_6-31g+(d).log.xz

051105602.td-b3lyp_6-31+g(d).qchem.inp (generated)

051105602.td-b3lyp_6-31+g(d).gjf (generated)

051105602.td-b3lyp_6-31+g(d).firefly.inp (generated)

051105602.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051105602.mol 051105602.PUBCHEM 051105602.mol (via Jmol)
051105677.b3lyp_6-31g(d).inp

051105677.b3lyp_6-31g(d).qchem.inp (generated)

051105677.b3lyp_6-31g(d).gjf (generated)

051105677.b3lyp_6-31g(d).firefly.inp (generated)

051105677.b3lyp_6-31g(d).smash.inp (generated)

051105677.b3lyp_6-31g(d).nwchem.inp (generated) 051105677.b3lyp_6-31g(d).log.xz 051105677.mol 051105677.PUBCHEM 051105677.mol (via Jmol)
051105726.b3lyp_6-31g(d).inp

051105726.b3lyp_6-31g(d).qchem.inp (generated)

051105726.b3lyp_6-31g(d).gjf (generated)

051105726.b3lyp_6-31g(d).firefly.inp (generated)

051105726.b3lyp_6-31g(d).smash.inp (generated)

051105726.b3lyp_6-31g(d).nwchem.inp (generated) 051105726.b3lyp_6-31g(d).log.xz 051105726.td-b3lyp_6-31g+(d).inp 051105726.td-b3lyp_6-31g+(d).log.xz

051105726.td-b3lyp_6-31+g(d).qchem.inp (generated)

051105726.td-b3lyp_6-31+g(d).gjf (generated)

051105726.td-b3lyp_6-31+g(d).firefly.inp (generated)

051105726.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051105726.mol 051105726.PUBCHEM 051105726.mol (via Jmol)
051105865.b3lyp_6-31g(d).inp

051105865.b3lyp_6-31g(d).qchem.inp (generated)

051105865.b3lyp_6-31g(d).gjf (generated)

051105865.b3lyp_6-31g(d).firefly.inp (generated)

051105865.b3lyp_6-31g(d).smash.inp (generated)

051105865.b3lyp_6-31g(d).nwchem.inp (generated) 051105865.b3lyp_6-31g(d).log.xz 051105865.mol 051105865.PUBCHEM 051105865.mol (via Jmol)
051105867.b3lyp_6-31g(d).inp

051105867.b3lyp_6-31g(d).qchem.inp (generated)

051105867.b3lyp_6-31g(d).gjf (generated)

051105867.b3lyp_6-31g(d).firefly.inp (generated)

051105867.b3lyp_6-31g(d).smash.inp (generated)

051105867.b3lyp_6-31g(d).nwchem.inp (generated) 051105867.b3lyp_6-31g(d).log.xz 051105867.td-b3lyp_6-31g+(d).inp 051105867.td-b3lyp_6-31g+(d).log.xz

051105867.td-b3lyp_6-31+g(d).qchem.inp (generated)

051105867.td-b3lyp_6-31+g(d).gjf (generated)

051105867.td-b3lyp_6-31+g(d).firefly.inp (generated)

051105867.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051105867.mol 051105867.PUBCHEM 051105867.mol (via Jmol)
051105873.b3lyp_6-31g(d).inp

051105873.b3lyp_6-31g(d).qchem.inp (generated)

051105873.b3lyp_6-31g(d).gjf (generated)

051105873.b3lyp_6-31g(d).firefly.inp (generated)

051105873.b3lyp_6-31g(d).smash.inp (generated)

051105873.b3lyp_6-31g(d).nwchem.inp (generated) 051105873.b3lyp_6-31g(d).log.xz 051105873.td-b3lyp_6-31g+(d).inp 051105873.td-b3lyp_6-31g+(d).log.xz

051105873.td-b3lyp_6-31+g(d).qchem.inp (generated)

051105873.td-b3lyp_6-31+g(d).gjf (generated)

051105873.td-b3lyp_6-31+g(d).firefly.inp (generated)

051105873.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051105873.mol 051105873.PUBCHEM 051105873.mol (via Jmol)
051105875.b3lyp_6-31g(d).inp

051105875.b3lyp_6-31g(d).qchem.inp (generated)

051105875.b3lyp_6-31g(d).gjf (generated)

051105875.b3lyp_6-31g(d).firefly.inp (generated)

051105875.b3lyp_6-31g(d).smash.inp (generated)

051105875.b3lyp_6-31g(d).nwchem.inp (generated) 051105875.b3lyp_6-31g(d).log.xz 051105875.mol 051105875.PUBCHEM 051105875.mol (via Jmol)
051106199.b3lyp_6-31g(d).inp

051106199.b3lyp_6-31g(d).qchem.inp (generated)

051106199.b3lyp_6-31g(d).gjf (generated)

051106199.b3lyp_6-31g(d).firefly.inp (generated)

051106199.b3lyp_6-31g(d).smash.inp (generated)

051106199.b3lyp_6-31g(d).nwchem.inp (generated) 051106199.b3lyp_6-31g(d).log.xz 051106199.mol 051106199.PUBCHEM 051106199.mol (via Jmol)
051106205.b3lyp_6-31g(d).inp

051106205.b3lyp_6-31g(d).qchem.inp (generated)

051106205.b3lyp_6-31g(d).gjf (generated)

051106205.b3lyp_6-31g(d).firefly.inp (generated)

051106205.b3lyp_6-31g(d).smash.inp (generated)

051106205.b3lyp_6-31g(d).nwchem.inp (generated) 051106205.b3lyp_6-31g(d).log.xz 051106205.td-b3lyp_6-31g+(d).inp 051106205.td-b3lyp_6-31g+(d).log.xz

051106205.td-b3lyp_6-31+g(d).qchem.inp (generated)

051106205.td-b3lyp_6-31+g(d).gjf (generated)

051106205.td-b3lyp_6-31+g(d).firefly.inp (generated)

051106205.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051106205.mol 051106205.PUBCHEM 051106205.mol (via Jmol)
051106212.b3lyp_6-31g(d).inp

051106212.b3lyp_6-31g(d).qchem.inp (generated)

051106212.b3lyp_6-31g(d).gjf (generated)

051106212.b3lyp_6-31g(d).firefly.inp (generated)

051106212.b3lyp_6-31g(d).smash.inp (generated)

051106212.b3lyp_6-31g(d).nwchem.inp (generated) 051106212.b3lyp_6-31g(d).log.xz 051106212.mol 051106212.PUBCHEM 051106212.mol (via Jmol)
051106215.b3lyp_6-31g(d).inp

051106215.b3lyp_6-31g(d).qchem.inp (generated)

051106215.b3lyp_6-31g(d).gjf (generated)

051106215.b3lyp_6-31g(d).firefly.inp (generated)

051106215.b3lyp_6-31g(d).smash.inp (generated)

051106215.b3lyp_6-31g(d).nwchem.inp (generated) 051106215.b3lyp_6-31g(d).log.xz 051106215.td-b3lyp_6-31g+(d).inp 051106215.td-b3lyp_6-31g+(d).log.xz

051106215.td-b3lyp_6-31+g(d).qchem.inp (generated)

051106215.td-b3lyp_6-31+g(d).gjf (generated)

051106215.td-b3lyp_6-31+g(d).firefly.inp (generated)

051106215.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051106215.mol 051106215.PUBCHEM 051106215.mol (via Jmol)
051106329.b3lyp_6-31g(d).inp

051106329.b3lyp_6-31g(d).qchem.inp (generated)

051106329.b3lyp_6-31g(d).gjf (generated)

051106329.b3lyp_6-31g(d).firefly.inp (generated)

051106329.b3lyp_6-31g(d).smash.inp (generated)

051106329.b3lyp_6-31g(d).nwchem.inp (generated) 051106329.b3lyp_6-31g(d).log.xz 051106329.mol 051106329.PUBCHEM 051106329.mol (via Jmol)
051106478.b3lyp_6-31g(d).inp

051106478.b3lyp_6-31g(d).qchem.inp (generated)

051106478.b3lyp_6-31g(d).gjf (generated)

051106478.b3lyp_6-31g(d).firefly.inp (generated)

051106478.b3lyp_6-31g(d).smash.inp (generated)

051106478.b3lyp_6-31g(d).nwchem.inp (generated) 051106478.b3lyp_6-31g(d).log.xz 051106478.td-b3lyp_6-31g+(d).inp 051106478.td-b3lyp_6-31g+(d).log.xz

051106478.td-b3lyp_6-31+g(d).qchem.inp (generated)

051106478.td-b3lyp_6-31+g(d).gjf (generated)

051106478.td-b3lyp_6-31+g(d).firefly.inp (generated)

051106478.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051106478.mol 051106478.PUBCHEM 051106478.mol (via Jmol)
051106568.b3lyp_6-31g(d).inp

051106568.b3lyp_6-31g(d).qchem.inp (generated)

051106568.b3lyp_6-31g(d).gjf (generated)

051106568.b3lyp_6-31g(d).firefly.inp (generated)

051106568.b3lyp_6-31g(d).smash.inp (generated)

051106568.b3lyp_6-31g(d).nwchem.inp (generated) 051106568.b3lyp_6-31g(d).log.xz 051106568.td-b3lyp_6-31g+(d).inp 051106568.td-b3lyp_6-31g+(d).log.xz

051106568.td-b3lyp_6-31+g(d).qchem.inp (generated)

051106568.td-b3lyp_6-31+g(d).gjf (generated)

051106568.td-b3lyp_6-31+g(d).firefly.inp (generated)

051106568.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051106568.mol 051106568.PUBCHEM 051106568.mol (via Jmol)
051106842.b3lyp_6-31g(d).inp

051106842.b3lyp_6-31g(d).qchem.inp (generated)

051106842.b3lyp_6-31g(d).gjf (generated)

051106842.b3lyp_6-31g(d).firefly.inp (generated)

051106842.b3lyp_6-31g(d).smash.inp (generated)

051106842.b3lyp_6-31g(d).nwchem.inp (generated) 051106842.b3lyp_6-31g(d).log.xz 051106842.mol 051106842.PUBCHEM 051106842.mol (via Jmol)
051106843.b3lyp_6-31g(d).inp

051106843.b3lyp_6-31g(d).qchem.inp (generated)

051106843.b3lyp_6-31g(d).gjf (generated)

051106843.b3lyp_6-31g(d).firefly.inp (generated)

051106843.b3lyp_6-31g(d).smash.inp (generated)

051106843.b3lyp_6-31g(d).nwchem.inp (generated) 051106843.b3lyp_6-31g(d).log.xz 051106843.mol 051106843.PUBCHEM 051106843.mol (via Jmol)
051106852.b3lyp_6-31g(d).inp

051106852.b3lyp_6-31g(d).qchem.inp (generated)

051106852.b3lyp_6-31g(d).gjf (generated)

051106852.b3lyp_6-31g(d).firefly.inp (generated)

051106852.b3lyp_6-31g(d).smash.inp (generated)

051106852.b3lyp_6-31g(d).nwchem.inp (generated) 051106852.b3lyp_6-31g(d).log.xz 051106852.td-b3lyp_6-31g+(d).inp 051106852.td-b3lyp_6-31g+(d).log.xz

051106852.td-b3lyp_6-31+g(d).qchem.inp (generated)

051106852.td-b3lyp_6-31+g(d).gjf (generated)

051106852.td-b3lyp_6-31+g(d).firefly.inp (generated)

051106852.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051106852.mol 051106852.PUBCHEM 051106852.mol (via Jmol)
051107562.b3lyp_6-31g(d).inp

051107562.b3lyp_6-31g(d).qchem.inp (generated)

051107562.b3lyp_6-31g(d).gjf (generated)

051107562.b3lyp_6-31g(d).firefly.inp (generated)

051107562.b3lyp_6-31g(d).smash.inp (generated)

051107562.b3lyp_6-31g(d).nwchem.inp (generated) 051107562.b3lyp_6-31g(d).log.xz 051107562.td-b3lyp_6-31g+(d).inp 051107562.td-b3lyp_6-31g+(d).log.xz

051107562.td-b3lyp_6-31+g(d).qchem.inp (generated)

051107562.td-b3lyp_6-31+g(d).gjf (generated)

051107562.td-b3lyp_6-31+g(d).firefly.inp (generated)

051107562.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051107562.mol 051107562.PUBCHEM 051107562.mol (via Jmol)
051107575.b3lyp_6-31g(d).inp

051107575.b3lyp_6-31g(d).qchem.inp (generated)

051107575.b3lyp_6-31g(d).gjf (generated)

051107575.b3lyp_6-31g(d).firefly.inp (generated)

051107575.b3lyp_6-31g(d).smash.inp (generated)

051107575.b3lyp_6-31g(d).nwchem.inp (generated) 051107575.b3lyp_6-31g(d).log.xz 051107575.td-b3lyp_6-31g+(d).inp 051107575.td-b3lyp_6-31g+(d).log.xz

051107575.td-b3lyp_6-31+g(d).qchem.inp (generated)

051107575.td-b3lyp_6-31+g(d).gjf (generated)

051107575.td-b3lyp_6-31+g(d).firefly.inp (generated)

051107575.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051107575.mol 051107575.PUBCHEM 051107575.mol (via Jmol)
051107743.b3lyp_6-31g(d).inp

051107743.b3lyp_6-31g(d).qchem.inp (generated)

051107743.b3lyp_6-31g(d).gjf (generated)

051107743.b3lyp_6-31g(d).firefly.inp (generated)

051107743.b3lyp_6-31g(d).smash.inp (generated)

051107743.b3lyp_6-31g(d).nwchem.inp (generated) 051107743.b3lyp_6-31g(d).log.xz 051107743.td-b3lyp_6-31g+(d).inp 051107743.td-b3lyp_6-31g+(d).log.xz

051107743.td-b3lyp_6-31+g(d).qchem.inp (generated)

051107743.td-b3lyp_6-31+g(d).gjf (generated)

051107743.td-b3lyp_6-31+g(d).firefly.inp (generated)

051107743.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051107743.mol 051107743.PUBCHEM 051107743.mol (via Jmol)
051107744.b3lyp_6-31g(d).inp

051107744.b3lyp_6-31g(d).qchem.inp (generated)

051107744.b3lyp_6-31g(d).gjf (generated)

051107744.b3lyp_6-31g(d).firefly.inp (generated)

051107744.b3lyp_6-31g(d).smash.inp (generated)

051107744.b3lyp_6-31g(d).nwchem.inp (generated) 051107744.b3lyp_6-31g(d).log.xz 051107744.td-b3lyp_6-31g+(d).inp 051107744.td-b3lyp_6-31g+(d).log.xz

051107744.td-b3lyp_6-31+g(d).qchem.inp (generated)

051107744.td-b3lyp_6-31+g(d).gjf (generated)

051107744.td-b3lyp_6-31+g(d).firefly.inp (generated)

051107744.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051107744.mol 051107744.PUBCHEM 051107744.mol (via Jmol)
051107756.b3lyp_6-31g(d).inp

051107756.b3lyp_6-31g(d).qchem.inp (generated)

051107756.b3lyp_6-31g(d).gjf (generated)

051107756.b3lyp_6-31g(d).firefly.inp (generated)

051107756.b3lyp_6-31g(d).smash.inp (generated)

051107756.b3lyp_6-31g(d).nwchem.inp (generated) 051107756.b3lyp_6-31g(d).log.xz 051107756.td-b3lyp_6-31g+(d).inp 051107756.td-b3lyp_6-31g+(d).log.xz

051107756.td-b3lyp_6-31+g(d).qchem.inp (generated)

051107756.td-b3lyp_6-31+g(d).gjf (generated)

051107756.td-b3lyp_6-31+g(d).firefly.inp (generated)

051107756.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051107756.mol 051107756.PUBCHEM 051107756.mol (via Jmol)
051107773.b3lyp_6-31g(d).inp

051107773.b3lyp_6-31g(d).qchem.inp (generated)

051107773.b3lyp_6-31g(d).gjf (generated)

051107773.b3lyp_6-31g(d).firefly.inp (generated)

051107773.b3lyp_6-31g(d).smash.inp (generated)

051107773.b3lyp_6-31g(d).nwchem.inp (generated) 051107773.b3lyp_6-31g(d).log.xz 051107773.td-b3lyp_6-31g+(d).inp 051107773.td-b3lyp_6-31g+(d).log.xz

051107773.td-b3lyp_6-31+g(d).qchem.inp (generated)

051107773.td-b3lyp_6-31+g(d).gjf (generated)

051107773.td-b3lyp_6-31+g(d).firefly.inp (generated)

051107773.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051107773.mol 051107773.PUBCHEM 051107773.mol (via Jmol)
051107779.b3lyp_6-31g(d).inp

051107779.b3lyp_6-31g(d).qchem.inp (generated)

051107779.b3lyp_6-31g(d).gjf (generated)

051107779.b3lyp_6-31g(d).firefly.inp (generated)

051107779.b3lyp_6-31g(d).smash.inp (generated)

051107779.b3lyp_6-31g(d).nwchem.inp (generated) 051107779.b3lyp_6-31g(d).log.xz 051107779.td-b3lyp_6-31g+(d).inp 051107779.td-b3lyp_6-31g+(d).log.xz

051107779.td-b3lyp_6-31+g(d).qchem.inp (generated)

051107779.td-b3lyp_6-31+g(d).gjf (generated)

051107779.td-b3lyp_6-31+g(d).firefly.inp (generated)

051107779.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051107779.mol 051107779.PUBCHEM 051107779.mol (via Jmol)
051107800.b3lyp_6-31g(d).inp

051107800.b3lyp_6-31g(d).qchem.inp (generated)

051107800.b3lyp_6-31g(d).gjf (generated)

051107800.b3lyp_6-31g(d).firefly.inp (generated)

051107800.b3lyp_6-31g(d).smash.inp (generated)

051107800.b3lyp_6-31g(d).nwchem.inp (generated) 051107800.b3lyp_6-31g(d).log.xz 051107800.td-b3lyp_6-31g+(d).inp 051107800.td-b3lyp_6-31g+(d).log.xz

051107800.td-b3lyp_6-31+g(d).qchem.inp (generated)

051107800.td-b3lyp_6-31+g(d).gjf (generated)

051107800.td-b3lyp_6-31+g(d).firefly.inp (generated)

051107800.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051107800.mol 051107800.PUBCHEM 051107800.mol (via Jmol)
051108219.b3lyp_6-31g(d).inp

051108219.b3lyp_6-31g(d).qchem.inp (generated)

051108219.b3lyp_6-31g(d).gjf (generated)

051108219.b3lyp_6-31g(d).firefly.inp (generated)

051108219.b3lyp_6-31g(d).smash.inp (generated)

051108219.b3lyp_6-31g(d).nwchem.inp (generated) 051108219.b3lyp_6-31g(d).log.xz 051108219.td-b3lyp_6-31g+(d).inp 051108219.td-b3lyp_6-31g+(d).log.xz

051108219.td-b3lyp_6-31+g(d).qchem.inp (generated)

051108219.td-b3lyp_6-31+g(d).gjf (generated)

051108219.td-b3lyp_6-31+g(d).firefly.inp (generated)

051108219.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051108219.mol 051108219.PUBCHEM 051108219.mol (via Jmol)
051108258.b3lyp_6-31g(d).inp

051108258.b3lyp_6-31g(d).qchem.inp (generated)

051108258.b3lyp_6-31g(d).gjf (generated)

051108258.b3lyp_6-31g(d).firefly.inp (generated)

051108258.b3lyp_6-31g(d).smash.inp (generated)

051108258.b3lyp_6-31g(d).nwchem.inp (generated) 051108258.b3lyp_6-31g(d).log.xz 051108258.mol 051108258.PUBCHEM 051108258.mol (via Jmol)
051108328.b3lyp_6-31g(d).inp

051108328.b3lyp_6-31g(d).qchem.inp (generated)

051108328.b3lyp_6-31g(d).gjf (generated)

051108328.b3lyp_6-31g(d).firefly.inp (generated)

051108328.b3lyp_6-31g(d).smash.inp (generated)

051108328.b3lyp_6-31g(d).nwchem.inp (generated) 051108328.b3lyp_6-31g(d).log.xz 051108328.mol 051108328.PUBCHEM 051108328.mol (via Jmol)
051108337.b3lyp_6-31g(d).inp

051108337.b3lyp_6-31g(d).qchem.inp (generated)

051108337.b3lyp_6-31g(d).gjf (generated)

051108337.b3lyp_6-31g(d).firefly.inp (generated)

051108337.b3lyp_6-31g(d).smash.inp (generated)

051108337.b3lyp_6-31g(d).nwchem.inp (generated) 051108337.b3lyp_6-31g(d).log.xz 051108337.td-b3lyp_6-31g+(d).inp 051108337.td-b3lyp_6-31g+(d).log.xz

051108337.td-b3lyp_6-31+g(d).qchem.inp (generated)

051108337.td-b3lyp_6-31+g(d).gjf (generated)

051108337.td-b3lyp_6-31+g(d).firefly.inp (generated)

051108337.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051108337.mol 051108337.PUBCHEM 051108337.mol (via Jmol)
051108483.b3lyp_6-31g(d).inp

051108483.b3lyp_6-31g(d).qchem.inp (generated)

051108483.b3lyp_6-31g(d).gjf (generated)

051108483.b3lyp_6-31g(d).firefly.inp (generated)

051108483.b3lyp_6-31g(d).smash.inp (generated)

051108483.b3lyp_6-31g(d).nwchem.inp (generated) 051108483.b3lyp_6-31g(d).log.xz 051108483.td-b3lyp_6-31g+(d).inp 051108483.td-b3lyp_6-31g+(d).log.xz

051108483.td-b3lyp_6-31+g(d).qchem.inp (generated)

051108483.td-b3lyp_6-31+g(d).gjf (generated)

051108483.td-b3lyp_6-31+g(d).firefly.inp (generated)

051108483.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051108483.mol 051108483.PUBCHEM 051108483.mol (via Jmol)
051108494.b3lyp_6-31g(d).inp

051108494.b3lyp_6-31g(d).qchem.inp (generated)

051108494.b3lyp_6-31g(d).gjf (generated)

051108494.b3lyp_6-31g(d).firefly.inp (generated)

051108494.b3lyp_6-31g(d).smash.inp (generated)

051108494.b3lyp_6-31g(d).nwchem.inp (generated) 051108494.b3lyp_6-31g(d).log.xz 051108494.mol 051108494.PUBCHEM 051108494.mol (via Jmol)
051108507.b3lyp_6-31g(d).inp

051108507.b3lyp_6-31g(d).qchem.inp (generated)

051108507.b3lyp_6-31g(d).gjf (generated)

051108507.b3lyp_6-31g(d).firefly.inp (generated)

051108507.b3lyp_6-31g(d).smash.inp (generated)

051108507.b3lyp_6-31g(d).nwchem.inp (generated) 051108507.b3lyp_6-31g(d).log.xz 051108507.td-b3lyp_6-31g+(d).inp 051108507.td-b3lyp_6-31g+(d).log.xz

051108507.td-b3lyp_6-31+g(d).qchem.inp (generated)

051108507.td-b3lyp_6-31+g(d).gjf (generated)

051108507.td-b3lyp_6-31+g(d).firefly.inp (generated)

051108507.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051108507.mol 051108507.PUBCHEM 051108507.mol (via Jmol)
051108589.b3lyp_6-31g(d).inp

051108589.b3lyp_6-31g(d).qchem.inp (generated)

051108589.b3lyp_6-31g(d).gjf (generated)

051108589.b3lyp_6-31g(d).firefly.inp (generated)

051108589.b3lyp_6-31g(d).smash.inp (generated)

051108589.b3lyp_6-31g(d).nwchem.inp (generated) 051108589.b3lyp_6-31g(d).log.xz 051108589.td-b3lyp_6-31g+(d).inp 051108589.td-b3lyp_6-31g+(d).log.xz

051108589.td-b3lyp_6-31+g(d).qchem.inp (generated)

051108589.td-b3lyp_6-31+g(d).gjf (generated)

051108589.td-b3lyp_6-31+g(d).firefly.inp (generated)

051108589.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051108589.mol 051108589.PUBCHEM 051108589.mol (via Jmol)
051108645.b3lyp_6-31g(d).inp

051108645.b3lyp_6-31g(d).qchem.inp (generated)

051108645.b3lyp_6-31g(d).gjf (generated)

051108645.b3lyp_6-31g(d).firefly.inp (generated)

051108645.b3lyp_6-31g(d).smash.inp (generated)

051108645.b3lyp_6-31g(d).nwchem.inp (generated) 051108645.b3lyp_6-31g(d).log.xz 051108645.mol 051108645.PUBCHEM 051108645.mol (via Jmol)
051108689.b3lyp_6-31g(d).inp

051108689.b3lyp_6-31g(d).qchem.inp (generated)

051108689.b3lyp_6-31g(d).gjf (generated)

051108689.b3lyp_6-31g(d).firefly.inp (generated)

051108689.b3lyp_6-31g(d).smash.inp (generated)

051108689.b3lyp_6-31g(d).nwchem.inp (generated) 051108689.b3lyp_6-31g(d).log.xz 051108689.td-b3lyp_6-31g+(d).inp 051108689.td-b3lyp_6-31g+(d).log.xz

051108689.td-b3lyp_6-31+g(d).qchem.inp (generated)

051108689.td-b3lyp_6-31+g(d).gjf (generated)

051108689.td-b3lyp_6-31+g(d).firefly.inp (generated)

051108689.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051108689.mol 051108689.PUBCHEM 051108689.mol (via Jmol)
051108721.b3lyp_6-31g(d).inp

051108721.b3lyp_6-31g(d).qchem.inp (generated)

051108721.b3lyp_6-31g(d).gjf (generated)

051108721.b3lyp_6-31g(d).firefly.inp (generated)

051108721.b3lyp_6-31g(d).smash.inp (generated)

051108721.b3lyp_6-31g(d).nwchem.inp (generated) 051108721.b3lyp_6-31g(d).log.xz 051108721.td-b3lyp_6-31g+(d).inp 051108721.td-b3lyp_6-31g+(d).log.xz

051108721.td-b3lyp_6-31+g(d).qchem.inp (generated)

051108721.td-b3lyp_6-31+g(d).gjf (generated)

051108721.td-b3lyp_6-31+g(d).firefly.inp (generated)

051108721.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051108721.mol 051108721.PUBCHEM 051108721.mol (via Jmol)
051108762.b3lyp_6-31g(d).inp

051108762.b3lyp_6-31g(d).qchem.inp (generated)

051108762.b3lyp_6-31g(d).gjf (generated)

051108762.b3lyp_6-31g(d).firefly.inp (generated)

051108762.b3lyp_6-31g(d).smash.inp (generated)

051108762.b3lyp_6-31g(d).nwchem.inp (generated) 051108762.b3lyp_6-31g(d).log.xz 051108762.td-b3lyp_6-31g+(d).inp 051108762.td-b3lyp_6-31g+(d).log.xz

051108762.td-b3lyp_6-31+g(d).qchem.inp (generated)

051108762.td-b3lyp_6-31+g(d).gjf (generated)

051108762.td-b3lyp_6-31+g(d).firefly.inp (generated)

051108762.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051108762.mol 051108762.PUBCHEM 051108762.mol (via Jmol)
051108814.b3lyp_6-31g(d).inp

051108814.b3lyp_6-31g(d).qchem.inp (generated)

051108814.b3lyp_6-31g(d).gjf (generated)

051108814.b3lyp_6-31g(d).firefly.inp (generated)

051108814.b3lyp_6-31g(d).smash.inp (generated)

051108814.b3lyp_6-31g(d).nwchem.inp (generated) 051108814.b3lyp_6-31g(d).log.xz 051108814.td-b3lyp_6-31g+(d).inp 051108814.td-b3lyp_6-31g+(d).log.xz

051108814.td-b3lyp_6-31+g(d).qchem.inp (generated)

051108814.td-b3lyp_6-31+g(d).gjf (generated)

051108814.td-b3lyp_6-31+g(d).firefly.inp (generated)

051108814.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051108814.mol 051108814.PUBCHEM 051108814.mol (via Jmol)
051108839.b3lyp_6-31g(d).inp

051108839.b3lyp_6-31g(d).qchem.inp (generated)

051108839.b3lyp_6-31g(d).gjf (generated)

051108839.b3lyp_6-31g(d).firefly.inp (generated)

051108839.b3lyp_6-31g(d).smash.inp (generated)

051108839.b3lyp_6-31g(d).nwchem.inp (generated) 051108839.b3lyp_6-31g(d).log.xz 051108839.mol 051108839.PUBCHEM 051108839.mol (via Jmol)
051108840.b3lyp_6-31g(d).inp

051108840.b3lyp_6-31g(d).qchem.inp (generated)

051108840.b3lyp_6-31g(d).gjf (generated)

051108840.b3lyp_6-31g(d).firefly.inp (generated)

051108840.b3lyp_6-31g(d).smash.inp (generated)

051108840.b3lyp_6-31g(d).nwchem.inp (generated) 051108840.b3lyp_6-31g(d).log.xz 051108840.mol 051108840.PUBCHEM 051108840.mol (via Jmol)
051108883.b3lyp_6-31g(d).inp

051108883.b3lyp_6-31g(d).qchem.inp (generated)

051108883.b3lyp_6-31g(d).gjf (generated)

051108883.b3lyp_6-31g(d).firefly.inp (generated)

051108883.b3lyp_6-31g(d).smash.inp (generated)

051108883.b3lyp_6-31g(d).nwchem.inp (generated) 051108883.b3lyp_6-31g(d).log.xz 051108883.td-b3lyp_6-31g+(d).inp 051108883.td-b3lyp_6-31g+(d).log.xz

051108883.td-b3lyp_6-31+g(d).qchem.inp (generated)

051108883.td-b3lyp_6-31+g(d).gjf (generated)

051108883.td-b3lyp_6-31+g(d).firefly.inp (generated)

051108883.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051108883.mol 051108883.PUBCHEM 051108883.mol (via Jmol)
051109080.b3lyp_6-31g(d).inp

051109080.b3lyp_6-31g(d).qchem.inp (generated)

051109080.b3lyp_6-31g(d).gjf (generated)

051109080.b3lyp_6-31g(d).firefly.inp (generated)

051109080.b3lyp_6-31g(d).smash.inp (generated)

051109080.b3lyp_6-31g(d).nwchem.inp (generated) 051109080.b3lyp_6-31g(d).log.xz 051109080.td-b3lyp_6-31g+(d).inp 051109080.td-b3lyp_6-31g+(d).log.xz

051109080.td-b3lyp_6-31+g(d).qchem.inp (generated)

051109080.td-b3lyp_6-31+g(d).gjf (generated)

051109080.td-b3lyp_6-31+g(d).firefly.inp (generated)

051109080.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051109080.mol 051109080.PUBCHEM 051109080.mol (via Jmol)
051109102.b3lyp_6-31g(d).inp

051109102.b3lyp_6-31g(d).qchem.inp (generated)

051109102.b3lyp_6-31g(d).gjf (generated)

051109102.b3lyp_6-31g(d).firefly.inp (generated)

051109102.b3lyp_6-31g(d).smash.inp (generated)

051109102.b3lyp_6-31g(d).nwchem.inp (generated) 051109102.b3lyp_6-31g(d).log.xz 051109102.mol 051109102.PUBCHEM 051109102.mol (via Jmol)
051109198.b3lyp_6-31g(d).inp

051109198.b3lyp_6-31g(d).qchem.inp (generated)

051109198.b3lyp_6-31g(d).gjf (generated)

051109198.b3lyp_6-31g(d).firefly.inp (generated)

051109198.b3lyp_6-31g(d).smash.inp (generated)

051109198.b3lyp_6-31g(d).nwchem.inp (generated) 051109198.b3lyp_6-31g(d).log.xz 051109198.td-b3lyp_6-31g+(d).inp 051109198.td-b3lyp_6-31g+(d).log.xz

051109198.td-b3lyp_6-31+g(d).qchem.inp (generated)

051109198.td-b3lyp_6-31+g(d).gjf (generated)

051109198.td-b3lyp_6-31+g(d).firefly.inp (generated)

051109198.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051109198.mol 051109198.PUBCHEM 051109198.mol (via Jmol)
051109216.b3lyp_6-31g(d).inp

051109216.b3lyp_6-31g(d).qchem.inp (generated)

051109216.b3lyp_6-31g(d).gjf (generated)

051109216.b3lyp_6-31g(d).firefly.inp (generated)

051109216.b3lyp_6-31g(d).smash.inp (generated)

051109216.b3lyp_6-31g(d).nwchem.inp (generated) 051109216.b3lyp_6-31g(d).log.xz 051109216.td-b3lyp_6-31g+(d).inp 051109216.td-b3lyp_6-31g+(d).log.xz

051109216.td-b3lyp_6-31+g(d).qchem.inp (generated)

051109216.td-b3lyp_6-31+g(d).gjf (generated)

051109216.td-b3lyp_6-31+g(d).firefly.inp (generated)

051109216.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051109216.mol 051109216.PUBCHEM 051109216.mol (via Jmol)
051109261.b3lyp_6-31g(d).inp

051109261.b3lyp_6-31g(d).qchem.inp (generated)

051109261.b3lyp_6-31g(d).gjf (generated)

051109261.b3lyp_6-31g(d).firefly.inp (generated)

051109261.b3lyp_6-31g(d).smash.inp (generated)

051109261.b3lyp_6-31g(d).nwchem.inp (generated) 051109261.b3lyp_6-31g(d).log.xz 051109261.td-b3lyp_6-31g+(d).inp 051109261.td-b3lyp_6-31g+(d).log.xz

051109261.td-b3lyp_6-31+g(d).qchem.inp (generated)

051109261.td-b3lyp_6-31+g(d).gjf (generated)

051109261.td-b3lyp_6-31+g(d).firefly.inp (generated)

051109261.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051109261.mol 051109261.PUBCHEM 051109261.mol (via Jmol)
051109283.b3lyp_6-31g(d).inp

051109283.b3lyp_6-31g(d).qchem.inp (generated)

051109283.b3lyp_6-31g(d).gjf (generated)

051109283.b3lyp_6-31g(d).firefly.inp (generated)

051109283.b3lyp_6-31g(d).smash.inp (generated)

051109283.b3lyp_6-31g(d).nwchem.inp (generated) 051109283.b3lyp_6-31g(d).log.xz 051109283.td-b3lyp_6-31g+(d).inp 051109283.td-b3lyp_6-31g+(d).log.xz

051109283.td-b3lyp_6-31+g(d).qchem.inp (generated)

051109283.td-b3lyp_6-31+g(d).gjf (generated)

051109283.td-b3lyp_6-31+g(d).firefly.inp (generated)

051109283.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051109283.mol 051109283.PUBCHEM 051109283.mol (via Jmol)
051109301.b3lyp_6-31g(d).inp

051109301.b3lyp_6-31g(d).qchem.inp (generated)

051109301.b3lyp_6-31g(d).gjf (generated)

051109301.b3lyp_6-31g(d).firefly.inp (generated)

051109301.b3lyp_6-31g(d).smash.inp (generated)

051109301.b3lyp_6-31g(d).nwchem.inp (generated) 051109301.b3lyp_6-31g(d).log.xz 051109301.td-b3lyp_6-31g+(d).inp 051109301.td-b3lyp_6-31g+(d).log.xz

051109301.td-b3lyp_6-31+g(d).qchem.inp (generated)

051109301.td-b3lyp_6-31+g(d).gjf (generated)

051109301.td-b3lyp_6-31+g(d).firefly.inp (generated)

051109301.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051109301.mol 051109301.PUBCHEM 051109301.mol (via Jmol)
051109350.b3lyp_6-31g(d).inp

051109350.b3lyp_6-31g(d).qchem.inp (generated)

051109350.b3lyp_6-31g(d).gjf (generated)

051109350.b3lyp_6-31g(d).firefly.inp (generated)

051109350.b3lyp_6-31g(d).smash.inp (generated)

051109350.b3lyp_6-31g(d).nwchem.inp (generated) 051109350.b3lyp_6-31g(d).log.xz 051109350.mol 051109350.PUBCHEM 051109350.mol (via Jmol)
051109451.b3lyp_6-31g(d).inp

051109451.b3lyp_6-31g(d).qchem.inp (generated)

051109451.b3lyp_6-31g(d).gjf (generated)

051109451.b3lyp_6-31g(d).firefly.inp (generated)

051109451.b3lyp_6-31g(d).smash.inp (generated)

051109451.b3lyp_6-31g(d).nwchem.inp (generated) 051109451.b3lyp_6-31g(d).log.xz 051109451.td-b3lyp_6-31g+(d).inp 051109451.td-b3lyp_6-31g+(d).log.xz

051109451.td-b3lyp_6-31+g(d).qchem.inp (generated)

051109451.td-b3lyp_6-31+g(d).gjf (generated)

051109451.td-b3lyp_6-31+g(d).firefly.inp (generated)

051109451.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051109451.mol 051109451.PUBCHEM 051109451.mol (via Jmol)
051109497.b3lyp_6-31g(d).inp

051109497.b3lyp_6-31g(d).qchem.inp (generated)

051109497.b3lyp_6-31g(d).gjf (generated)

051109497.b3lyp_6-31g(d).firefly.inp (generated)

051109497.b3lyp_6-31g(d).smash.inp (generated)

051109497.b3lyp_6-31g(d).nwchem.inp (generated) 051109497.b3lyp_6-31g(d).log.xz 051109497.td-b3lyp_6-31g+(d).inp 051109497.td-b3lyp_6-31g+(d).log.xz

051109497.td-b3lyp_6-31+g(d).qchem.inp (generated)

051109497.td-b3lyp_6-31+g(d).gjf (generated)

051109497.td-b3lyp_6-31+g(d).firefly.inp (generated)

051109497.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051109497.mol 051109497.PUBCHEM 051109497.mol (via Jmol)
051109501.b3lyp_6-31g(d).inp

051109501.b3lyp_6-31g(d).qchem.inp (generated)

051109501.b3lyp_6-31g(d).gjf (generated)

051109501.b3lyp_6-31g(d).firefly.inp (generated)

051109501.b3lyp_6-31g(d).smash.inp (generated)

051109501.b3lyp_6-31g(d).nwchem.inp (generated) 051109501.b3lyp_6-31g(d).log.xz 051109501.td-b3lyp_6-31g+(d).inp 051109501.td-b3lyp_6-31g+(d).log.xz

051109501.td-b3lyp_6-31+g(d).qchem.inp (generated)

051109501.td-b3lyp_6-31+g(d).gjf (generated)

051109501.td-b3lyp_6-31+g(d).firefly.inp (generated)

051109501.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051109501.mol 051109501.PUBCHEM 051109501.mol (via Jmol)
051109502.b3lyp_6-31g(d).inp

051109502.b3lyp_6-31g(d).qchem.inp (generated)

051109502.b3lyp_6-31g(d).gjf (generated)

051109502.b3lyp_6-31g(d).firefly.inp (generated)

051109502.b3lyp_6-31g(d).smash.inp (generated)

051109502.b3lyp_6-31g(d).nwchem.inp (generated) 051109502.b3lyp_6-31g(d).log.xz 051109502.td-b3lyp_6-31g+(d).inp 051109502.td-b3lyp_6-31g+(d).log.xz

051109502.td-b3lyp_6-31+g(d).qchem.inp (generated)

051109502.td-b3lyp_6-31+g(d).gjf (generated)

051109502.td-b3lyp_6-31+g(d).firefly.inp (generated)

051109502.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051109502.mol 051109502.PUBCHEM 051109502.mol (via Jmol)
051109503.b3lyp_6-31g(d).inp

051109503.b3lyp_6-31g(d).qchem.inp (generated)

051109503.b3lyp_6-31g(d).gjf (generated)

051109503.b3lyp_6-31g(d).firefly.inp (generated)

051109503.b3lyp_6-31g(d).smash.inp (generated)

051109503.b3lyp_6-31g(d).nwchem.inp (generated) 051109503.b3lyp_6-31g(d).log.xz 051109503.td-b3lyp_6-31g+(d).inp 051109503.td-b3lyp_6-31g+(d).log.xz

051109503.td-b3lyp_6-31+g(d).qchem.inp (generated)

051109503.td-b3lyp_6-31+g(d).gjf (generated)

051109503.td-b3lyp_6-31+g(d).firefly.inp (generated)

051109503.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051109503.mol 051109503.PUBCHEM 051109503.mol (via Jmol)
051109504.b3lyp_6-31g(d).inp

051109504.b3lyp_6-31g(d).qchem.inp (generated)

051109504.b3lyp_6-31g(d).gjf (generated)

051109504.b3lyp_6-31g(d).firefly.inp (generated)

051109504.b3lyp_6-31g(d).smash.inp (generated)

051109504.b3lyp_6-31g(d).nwchem.inp (generated) 051109504.b3lyp_6-31g(d).log.xz 051109504.td-b3lyp_6-31g+(d).inp 051109504.td-b3lyp_6-31g+(d).log.xz

051109504.td-b3lyp_6-31+g(d).qchem.inp (generated)

051109504.td-b3lyp_6-31+g(d).gjf (generated)

051109504.td-b3lyp_6-31+g(d).firefly.inp (generated)

051109504.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051109504.mol 051109504.PUBCHEM 051109504.mol (via Jmol)
051109505.b3lyp_6-31g(d).inp

051109505.b3lyp_6-31g(d).qchem.inp (generated)

051109505.b3lyp_6-31g(d).gjf (generated)

051109505.b3lyp_6-31g(d).firefly.inp (generated)

051109505.b3lyp_6-31g(d).smash.inp (generated)

051109505.b3lyp_6-31g(d).nwchem.inp (generated) 051109505.b3lyp_6-31g(d).log.xz 051109505.td-b3lyp_6-31g+(d).inp 051109505.td-b3lyp_6-31g+(d).log.xz

051109505.td-b3lyp_6-31+g(d).qchem.inp (generated)

051109505.td-b3lyp_6-31+g(d).gjf (generated)

051109505.td-b3lyp_6-31+g(d).firefly.inp (generated)

051109505.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051109505.mol 051109505.PUBCHEM 051109505.mol (via Jmol)
051109512.b3lyp_6-31g(d).inp

051109512.b3lyp_6-31g(d).qchem.inp (generated)

051109512.b3lyp_6-31g(d).gjf (generated)

051109512.b3lyp_6-31g(d).firefly.inp (generated)

051109512.b3lyp_6-31g(d).smash.inp (generated)

051109512.b3lyp_6-31g(d).nwchem.inp (generated) 051109512.b3lyp_6-31g(d).log.xz 051109512.td-b3lyp_6-31g+(d).inp 051109512.td-b3lyp_6-31g+(d).log.xz

051109512.td-b3lyp_6-31+g(d).qchem.inp (generated)

051109512.td-b3lyp_6-31+g(d).gjf (generated)

051109512.td-b3lyp_6-31+g(d).firefly.inp (generated)

051109512.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051109512.mol 051109512.PUBCHEM 051109512.mol (via Jmol)
051109513.b3lyp_6-31g(d).inp

051109513.b3lyp_6-31g(d).qchem.inp (generated)

051109513.b3lyp_6-31g(d).gjf (generated)

051109513.b3lyp_6-31g(d).firefly.inp (generated)

051109513.b3lyp_6-31g(d).smash.inp (generated)

051109513.b3lyp_6-31g(d).nwchem.inp (generated) 051109513.b3lyp_6-31g(d).log.xz 051109513.td-b3lyp_6-31g+(d).inp 051109513.td-b3lyp_6-31g+(d).log.xz

051109513.td-b3lyp_6-31+g(d).qchem.inp (generated)

051109513.td-b3lyp_6-31+g(d).gjf (generated)

051109513.td-b3lyp_6-31+g(d).firefly.inp (generated)

051109513.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051109513.mol 051109513.PUBCHEM 051109513.mol (via Jmol)
051109518.b3lyp_6-31g(d).inp

051109518.b3lyp_6-31g(d).qchem.inp (generated)

051109518.b3lyp_6-31g(d).gjf (generated)

051109518.b3lyp_6-31g(d).firefly.inp (generated)

051109518.b3lyp_6-31g(d).smash.inp (generated)

051109518.b3lyp_6-31g(d).nwchem.inp (generated) 051109518.b3lyp_6-31g(d).log.xz 051109518.td-b3lyp_6-31g+(d).inp 051109518.td-b3lyp_6-31g+(d).log.xz

051109518.td-b3lyp_6-31+g(d).qchem.inp (generated)

051109518.td-b3lyp_6-31+g(d).gjf (generated)

051109518.td-b3lyp_6-31+g(d).firefly.inp (generated)

051109518.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051109518.mol 051109518.PUBCHEM 051109518.mol (via Jmol)
051109519.b3lyp_6-31g(d).inp

051109519.b3lyp_6-31g(d).qchem.inp (generated)

051109519.b3lyp_6-31g(d).gjf (generated)

051109519.b3lyp_6-31g(d).firefly.inp (generated)

051109519.b3lyp_6-31g(d).smash.inp (generated)

051109519.b3lyp_6-31g(d).nwchem.inp (generated) 051109519.b3lyp_6-31g(d).log.xz 051109519.td-b3lyp_6-31g+(d).inp 051109519.td-b3lyp_6-31g+(d).log.xz

051109519.td-b3lyp_6-31+g(d).qchem.inp (generated)

051109519.td-b3lyp_6-31+g(d).gjf (generated)

051109519.td-b3lyp_6-31+g(d).firefly.inp (generated)

051109519.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051109519.mol 051109519.PUBCHEM 051109519.mol (via Jmol)
051109520.b3lyp_6-31g(d).inp

051109520.b3lyp_6-31g(d).qchem.inp (generated)

051109520.b3lyp_6-31g(d).gjf (generated)

051109520.b3lyp_6-31g(d).firefly.inp (generated)

051109520.b3lyp_6-31g(d).smash.inp (generated)

051109520.b3lyp_6-31g(d).nwchem.inp (generated) 051109520.b3lyp_6-31g(d).log.xz 051109520.td-b3lyp_6-31g+(d).inp 051109520.td-b3lyp_6-31g+(d).log.xz

051109520.td-b3lyp_6-31+g(d).qchem.inp (generated)

051109520.td-b3lyp_6-31+g(d).gjf (generated)

051109520.td-b3lyp_6-31+g(d).firefly.inp (generated)

051109520.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051109520.mol 051109520.PUBCHEM 051109520.mol (via Jmol)
051109528.b3lyp_6-31g(d).inp

051109528.b3lyp_6-31g(d).qchem.inp (generated)

051109528.b3lyp_6-31g(d).gjf (generated)

051109528.b3lyp_6-31g(d).firefly.inp (generated)

051109528.b3lyp_6-31g(d).smash.inp (generated)

051109528.b3lyp_6-31g(d).nwchem.inp (generated) 051109528.b3lyp_6-31g(d).log.xz 051109528.td-b3lyp_6-31g+(d).inp 051109528.td-b3lyp_6-31g+(d).log.xz

051109528.td-b3lyp_6-31+g(d).qchem.inp (generated)

051109528.td-b3lyp_6-31+g(d).gjf (generated)

051109528.td-b3lyp_6-31+g(d).firefly.inp (generated)

051109528.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051109528.mol 051109528.PUBCHEM 051109528.mol (via Jmol)
051109529.b3lyp_6-31g(d).inp

051109529.b3lyp_6-31g(d).qchem.inp (generated)

051109529.b3lyp_6-31g(d).gjf (generated)

051109529.b3lyp_6-31g(d).firefly.inp (generated)

051109529.b3lyp_6-31g(d).smash.inp (generated)

051109529.b3lyp_6-31g(d).nwchem.inp (generated) 051109529.b3lyp_6-31g(d).log.xz 051109529.td-b3lyp_6-31g+(d).inp 051109529.td-b3lyp_6-31g+(d).log.xz

051109529.td-b3lyp_6-31+g(d).qchem.inp (generated)

051109529.td-b3lyp_6-31+g(d).gjf (generated)

051109529.td-b3lyp_6-31+g(d).firefly.inp (generated)

051109529.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051109529.mol 051109529.PUBCHEM 051109529.mol (via Jmol)
051109537.b3lyp_6-31g(d).inp

051109537.b3lyp_6-31g(d).qchem.inp (generated)

051109537.b3lyp_6-31g(d).gjf (generated)

051109537.b3lyp_6-31g(d).firefly.inp (generated)

051109537.b3lyp_6-31g(d).smash.inp (generated)

051109537.b3lyp_6-31g(d).nwchem.inp (generated) 051109537.b3lyp_6-31g(d).log.xz 051109537.td-b3lyp_6-31g+(d).inp 051109537.td-b3lyp_6-31g+(d).log.xz

051109537.td-b3lyp_6-31+g(d).qchem.inp (generated)

051109537.td-b3lyp_6-31+g(d).gjf (generated)

051109537.td-b3lyp_6-31+g(d).firefly.inp (generated)

051109537.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051109537.mol 051109537.PUBCHEM 051109537.mol (via Jmol)
051109538.b3lyp_6-31g(d).inp

051109538.b3lyp_6-31g(d).qchem.inp (generated)

051109538.b3lyp_6-31g(d).gjf (generated)

051109538.b3lyp_6-31g(d).firefly.inp (generated)

051109538.b3lyp_6-31g(d).smash.inp (generated)

051109538.b3lyp_6-31g(d).nwchem.inp (generated) 051109538.b3lyp_6-31g(d).log.xz 051109538.td-b3lyp_6-31g+(d).inp 051109538.td-b3lyp_6-31g+(d).log.xz

051109538.td-b3lyp_6-31+g(d).qchem.inp (generated)

051109538.td-b3lyp_6-31+g(d).gjf (generated)

051109538.td-b3lyp_6-31+g(d).firefly.inp (generated)

051109538.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051109538.mol 051109538.PUBCHEM 051109538.mol (via Jmol)
051109541.b3lyp_6-31g(d).inp

051109541.b3lyp_6-31g(d).qchem.inp (generated)

051109541.b3lyp_6-31g(d).gjf (generated)

051109541.b3lyp_6-31g(d).firefly.inp (generated)

051109541.b3lyp_6-31g(d).smash.inp (generated)

051109541.b3lyp_6-31g(d).nwchem.inp (generated) 051109541.b3lyp_6-31g(d).log.xz 051109541.td-b3lyp_6-31g+(d).inp 051109541.td-b3lyp_6-31g+(d).log.xz

051109541.td-b3lyp_6-31+g(d).qchem.inp (generated)

051109541.td-b3lyp_6-31+g(d).gjf (generated)

051109541.td-b3lyp_6-31+g(d).firefly.inp (generated)

051109541.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051109541.mol 051109541.PUBCHEM 051109541.mol (via Jmol)
051109727.b3lyp_6-31g(d).inp

051109727.b3lyp_6-31g(d).qchem.inp (generated)

051109727.b3lyp_6-31g(d).gjf (generated)

051109727.b3lyp_6-31g(d).firefly.inp (generated)

051109727.b3lyp_6-31g(d).smash.inp (generated)

051109727.b3lyp_6-31g(d).nwchem.inp (generated) 051109727.b3lyp_6-31g(d).log.xz 051109727.td-b3lyp_6-31g+(d).inp 051109727.td-b3lyp_6-31g+(d).log.xz

051109727.td-b3lyp_6-31+g(d).qchem.inp (generated)

051109727.td-b3lyp_6-31+g(d).gjf (generated)

051109727.td-b3lyp_6-31+g(d).firefly.inp (generated)

051109727.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051109727.mol 051109727.PUBCHEM 051109727.mol (via Jmol)
051109732.b3lyp_6-31g(d).inp

051109732.b3lyp_6-31g(d).qchem.inp (generated)

051109732.b3lyp_6-31g(d).gjf (generated)

051109732.b3lyp_6-31g(d).firefly.inp (generated)

051109732.b3lyp_6-31g(d).smash.inp (generated)

051109732.b3lyp_6-31g(d).nwchem.inp (generated) 051109732.b3lyp_6-31g(d).log.xz 051109732.td-b3lyp_6-31g+(d).inp 051109732.td-b3lyp_6-31g+(d).log.xz

051109732.td-b3lyp_6-31+g(d).qchem.inp (generated)

051109732.td-b3lyp_6-31+g(d).gjf (generated)

051109732.td-b3lyp_6-31+g(d).firefly.inp (generated)

051109732.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051109732.mol 051109732.PUBCHEM 051109732.mol (via Jmol)
051109737.b3lyp_6-31g(d).inp

051109737.b3lyp_6-31g(d).qchem.inp (generated)

051109737.b3lyp_6-31g(d).gjf (generated)

051109737.b3lyp_6-31g(d).firefly.inp (generated)

051109737.b3lyp_6-31g(d).smash.inp (generated)

051109737.b3lyp_6-31g(d).nwchem.inp (generated) 051109737.b3lyp_6-31g(d).log.xz 051109737.td-b3lyp_6-31g+(d).inp 051109737.td-b3lyp_6-31g+(d).log.xz

051109737.td-b3lyp_6-31+g(d).qchem.inp (generated)

051109737.td-b3lyp_6-31+g(d).gjf (generated)

051109737.td-b3lyp_6-31+g(d).firefly.inp (generated)

051109737.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051109737.mol 051109737.PUBCHEM 051109737.mol (via Jmol)
051109753.b3lyp_6-31g(d).inp

051109753.b3lyp_6-31g(d).qchem.inp (generated)

051109753.b3lyp_6-31g(d).gjf (generated)

051109753.b3lyp_6-31g(d).firefly.inp (generated)

051109753.b3lyp_6-31g(d).smash.inp (generated)

051109753.b3lyp_6-31g(d).nwchem.inp (generated) 051109753.b3lyp_6-31g(d).log.xz 051109753.td-b3lyp_6-31g+(d).inp 051109753.td-b3lyp_6-31g+(d).log.xz

051109753.td-b3lyp_6-31+g(d).qchem.inp (generated)

051109753.td-b3lyp_6-31+g(d).gjf (generated)

051109753.td-b3lyp_6-31+g(d).firefly.inp (generated)

051109753.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051109753.mol 051109753.PUBCHEM 051109753.mol (via Jmol)
051109755.b3lyp_6-31g(d).inp

051109755.b3lyp_6-31g(d).qchem.inp (generated)

051109755.b3lyp_6-31g(d).gjf (generated)

051109755.b3lyp_6-31g(d).firefly.inp (generated)

051109755.b3lyp_6-31g(d).smash.inp (generated)

051109755.b3lyp_6-31g(d).nwchem.inp (generated) 051109755.b3lyp_6-31g(d).log.xz 051109755.td-b3lyp_6-31g+(d).inp 051109755.td-b3lyp_6-31g+(d).log.xz

051109755.td-b3lyp_6-31+g(d).qchem.inp (generated)

051109755.td-b3lyp_6-31+g(d).gjf (generated)

051109755.td-b3lyp_6-31+g(d).firefly.inp (generated)

051109755.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051109755.mol 051109755.PUBCHEM 051109755.mol (via Jmol)
051109756.b3lyp_6-31g(d).inp

051109756.b3lyp_6-31g(d).qchem.inp (generated)

051109756.b3lyp_6-31g(d).gjf (generated)

051109756.b3lyp_6-31g(d).firefly.inp (generated)

051109756.b3lyp_6-31g(d).smash.inp (generated)

051109756.b3lyp_6-31g(d).nwchem.inp (generated) 051109756.b3lyp_6-31g(d).log.xz 051109756.td-b3lyp_6-31g+(d).inp 051109756.td-b3lyp_6-31g+(d).log.xz

051109756.td-b3lyp_6-31+g(d).qchem.inp (generated)

051109756.td-b3lyp_6-31+g(d).gjf (generated)

051109756.td-b3lyp_6-31+g(d).firefly.inp (generated)

051109756.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051109756.mol 051109756.PUBCHEM 051109756.mol (via Jmol)
051109758.b3lyp_6-31g(d).inp

051109758.b3lyp_6-31g(d).qchem.inp (generated)

051109758.b3lyp_6-31g(d).gjf (generated)

051109758.b3lyp_6-31g(d).firefly.inp (generated)

051109758.b3lyp_6-31g(d).smash.inp (generated)

051109758.b3lyp_6-31g(d).nwchem.inp (generated) 051109758.b3lyp_6-31g(d).log.xz 051109758.td-b3lyp_6-31g+(d).inp 051109758.td-b3lyp_6-31g+(d).log.xz

051109758.td-b3lyp_6-31+g(d).qchem.inp (generated)

051109758.td-b3lyp_6-31+g(d).gjf (generated)

051109758.td-b3lyp_6-31+g(d).firefly.inp (generated)

051109758.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051109758.mol 051109758.PUBCHEM 051109758.mol (via Jmol)
051109810.b3lyp_6-31g(d).inp

051109810.b3lyp_6-31g(d).qchem.inp (generated)

051109810.b3lyp_6-31g(d).gjf (generated)

051109810.b3lyp_6-31g(d).firefly.inp (generated)

051109810.b3lyp_6-31g(d).smash.inp (generated)

051109810.b3lyp_6-31g(d).nwchem.inp (generated) 051109810.b3lyp_6-31g(d).log.xz 051109810.td-b3lyp_6-31g+(d).inp 051109810.td-b3lyp_6-31g+(d).log.xz

051109810.td-b3lyp_6-31+g(d).qchem.inp (generated)

051109810.td-b3lyp_6-31+g(d).gjf (generated)

051109810.td-b3lyp_6-31+g(d).firefly.inp (generated)

051109810.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051109810.mol 051109810.PUBCHEM 051109810.mol (via Jmol)
051109884.b3lyp_6-31g(d).inp

051109884.b3lyp_6-31g(d).qchem.inp (generated)

051109884.b3lyp_6-31g(d).gjf (generated)

051109884.b3lyp_6-31g(d).firefly.inp (generated)

051109884.b3lyp_6-31g(d).smash.inp (generated)

051109884.b3lyp_6-31g(d).nwchem.inp (generated) 051109884.b3lyp_6-31g(d).log.xz 051109884.td-b3lyp_6-31g+(d).inp 051109884.td-b3lyp_6-31g+(d).log.xz

051109884.td-b3lyp_6-31+g(d).qchem.inp (generated)

051109884.td-b3lyp_6-31+g(d).gjf (generated)

051109884.td-b3lyp_6-31+g(d).firefly.inp (generated)

051109884.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051109884.mol 051109884.PUBCHEM 051109884.mol (via Jmol)
051109966.b3lyp_6-31g(d).inp

051109966.b3lyp_6-31g(d).qchem.inp (generated)

051109966.b3lyp_6-31g(d).gjf (generated)

051109966.b3lyp_6-31g(d).firefly.inp (generated)

051109966.b3lyp_6-31g(d).smash.inp (generated)

051109966.b3lyp_6-31g(d).nwchem.inp (generated) 051109966.b3lyp_6-31g(d).log.xz 051109966.td-b3lyp_6-31g+(d).inp 051109966.td-b3lyp_6-31g+(d).log.xz

051109966.td-b3lyp_6-31+g(d).qchem.inp (generated)

051109966.td-b3lyp_6-31+g(d).gjf (generated)

051109966.td-b3lyp_6-31+g(d).firefly.inp (generated)

051109966.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051109966.mol 051109966.PUBCHEM 051109966.mol (via Jmol)
051110017.b3lyp_6-31g(d).inp

051110017.b3lyp_6-31g(d).qchem.inp (generated)

051110017.b3lyp_6-31g(d).gjf (generated)

051110017.b3lyp_6-31g(d).firefly.inp (generated)

051110017.b3lyp_6-31g(d).smash.inp (generated)

051110017.b3lyp_6-31g(d).nwchem.inp (generated) 051110017.b3lyp_6-31g(d).log.xz 051110017.td-b3lyp_6-31g+(d).inp 051110017.td-b3lyp_6-31g+(d).log.xz

051110017.td-b3lyp_6-31+g(d).qchem.inp (generated)

051110017.td-b3lyp_6-31+g(d).gjf (generated)

051110017.td-b3lyp_6-31+g(d).firefly.inp (generated)

051110017.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051110017.mol 051110017.PUBCHEM 051110017.mol (via Jmol)
051110018.b3lyp_6-31g(d).inp

051110018.b3lyp_6-31g(d).qchem.inp (generated)

051110018.b3lyp_6-31g(d).gjf (generated)

051110018.b3lyp_6-31g(d).firefly.inp (generated)

051110018.b3lyp_6-31g(d).smash.inp (generated)

051110018.b3lyp_6-31g(d).nwchem.inp (generated) 051110018.b3lyp_6-31g(d).log.xz 051110018.td-b3lyp_6-31g+(d).inp 051110018.td-b3lyp_6-31g+(d).log.xz

051110018.td-b3lyp_6-31+g(d).qchem.inp (generated)

051110018.td-b3lyp_6-31+g(d).gjf (generated)

051110018.td-b3lyp_6-31+g(d).firefly.inp (generated)

051110018.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051110018.mol 051110018.PUBCHEM 051110018.mol (via Jmol)
051110061.b3lyp_6-31g(d).inp

051110061.b3lyp_6-31g(d).qchem.inp (generated)

051110061.b3lyp_6-31g(d).gjf (generated)

051110061.b3lyp_6-31g(d).firefly.inp (generated)

051110061.b3lyp_6-31g(d).smash.inp (generated)

051110061.b3lyp_6-31g(d).nwchem.inp (generated) 051110061.b3lyp_6-31g(d).log.xz 051110061.td-b3lyp_6-31g+(d).inp 051110061.td-b3lyp_6-31g+(d).log.xz

051110061.td-b3lyp_6-31+g(d).qchem.inp (generated)

051110061.td-b3lyp_6-31+g(d).gjf (generated)

051110061.td-b3lyp_6-31+g(d).firefly.inp (generated)

051110061.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051110061.mol 051110061.PUBCHEM 051110061.mol (via Jmol)
051110068.b3lyp_6-31g(d).inp

051110068.b3lyp_6-31g(d).qchem.inp (generated)

051110068.b3lyp_6-31g(d).gjf (generated)

051110068.b3lyp_6-31g(d).firefly.inp (generated)

051110068.b3lyp_6-31g(d).smash.inp (generated)

051110068.b3lyp_6-31g(d).nwchem.inp (generated) 051110068.b3lyp_6-31g(d).log.xz 051110068.td-b3lyp_6-31g+(d).inp 051110068.td-b3lyp_6-31g+(d).log.xz

051110068.td-b3lyp_6-31+g(d).qchem.inp (generated)

051110068.td-b3lyp_6-31+g(d).gjf (generated)

051110068.td-b3lyp_6-31+g(d).firefly.inp (generated)

051110068.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051110068.mol 051110068.PUBCHEM 051110068.mol (via Jmol)
051110166.b3lyp_6-31g(d).inp

051110166.b3lyp_6-31g(d).qchem.inp (generated)

051110166.b3lyp_6-31g(d).gjf (generated)

051110166.b3lyp_6-31g(d).firefly.inp (generated)

051110166.b3lyp_6-31g(d).smash.inp (generated)

051110166.b3lyp_6-31g(d).nwchem.inp (generated) 051110166.b3lyp_6-31g(d).log.xz 051110166.td-b3lyp_6-31g+(d).inp 051110166.td-b3lyp_6-31g+(d).log.xz

051110166.td-b3lyp_6-31+g(d).qchem.inp (generated)

051110166.td-b3lyp_6-31+g(d).gjf (generated)

051110166.td-b3lyp_6-31+g(d).firefly.inp (generated)

051110166.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051110166.mol 051110166.PUBCHEM 051110166.mol (via Jmol)
051110365.b3lyp_6-31g(d).inp

051110365.b3lyp_6-31g(d).qchem.inp (generated)

051110365.b3lyp_6-31g(d).gjf (generated)

051110365.b3lyp_6-31g(d).firefly.inp (generated)

051110365.b3lyp_6-31g(d).smash.inp (generated)

051110365.b3lyp_6-31g(d).nwchem.inp (generated) 051110365.b3lyp_6-31g(d).log.xz 051110365.td-b3lyp_6-31g+(d).inp 051110365.td-b3lyp_6-31g+(d).log.xz

051110365.td-b3lyp_6-31+g(d).qchem.inp (generated)

051110365.td-b3lyp_6-31+g(d).gjf (generated)

051110365.td-b3lyp_6-31+g(d).firefly.inp (generated)

051110365.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051110365.mol 051110365.PUBCHEM 051110365.mol (via Jmol)
051110424.b3lyp_6-31g(d).inp

051110424.b3lyp_6-31g(d).qchem.inp (generated)

051110424.b3lyp_6-31g(d).gjf (generated)

051110424.b3lyp_6-31g(d).firefly.inp (generated)

051110424.b3lyp_6-31g(d).smash.inp (generated)

051110424.b3lyp_6-31g(d).nwchem.inp (generated) 051110424.b3lyp_6-31g(d).log.xz 051110424.td-b3lyp_6-31g+(d).inp 051110424.td-b3lyp_6-31g+(d).log.xz

051110424.td-b3lyp_6-31+g(d).qchem.inp (generated)

051110424.td-b3lyp_6-31+g(d).gjf (generated)

051110424.td-b3lyp_6-31+g(d).firefly.inp (generated)

051110424.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051110424.mol 051110424.PUBCHEM 051110424.mol (via Jmol)
051110427.b3lyp_6-31g(d).inp

051110427.b3lyp_6-31g(d).qchem.inp (generated)

051110427.b3lyp_6-31g(d).gjf (generated)

051110427.b3lyp_6-31g(d).firefly.inp (generated)

051110427.b3lyp_6-31g(d).smash.inp (generated)

051110427.b3lyp_6-31g(d).nwchem.inp (generated) 051110427.b3lyp_6-31g(d).log.xz 051110427.td-b3lyp_6-31g+(d).inp 051110427.td-b3lyp_6-31g+(d).log.xz

051110427.td-b3lyp_6-31+g(d).qchem.inp (generated)

051110427.td-b3lyp_6-31+g(d).gjf (generated)

051110427.td-b3lyp_6-31+g(d).firefly.inp (generated)

051110427.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051110427.mol 051110427.PUBCHEM 051110427.mol (via Jmol)
051110433.b3lyp_6-31g(d).inp

051110433.b3lyp_6-31g(d).qchem.inp (generated)

051110433.b3lyp_6-31g(d).gjf (generated)

051110433.b3lyp_6-31g(d).firefly.inp (generated)

051110433.b3lyp_6-31g(d).smash.inp (generated)

051110433.b3lyp_6-31g(d).nwchem.inp (generated) 051110433.b3lyp_6-31g(d).log.xz 051110433.td-b3lyp_6-31g+(d).inp 051110433.td-b3lyp_6-31g+(d).log.xz

051110433.td-b3lyp_6-31+g(d).qchem.inp (generated)

051110433.td-b3lyp_6-31+g(d).gjf (generated)

051110433.td-b3lyp_6-31+g(d).firefly.inp (generated)

051110433.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051110433.mol 051110433.PUBCHEM 051110433.mol (via Jmol)
051110475.b3lyp_6-31g(d).inp

051110475.b3lyp_6-31g(d).qchem.inp (generated)

051110475.b3lyp_6-31g(d).gjf (generated)

051110475.b3lyp_6-31g(d).firefly.inp (generated)

051110475.b3lyp_6-31g(d).smash.inp (generated)

051110475.b3lyp_6-31g(d).nwchem.inp (generated) 051110475.b3lyp_6-31g(d).log.xz 051110475.td-b3lyp_6-31g+(d).inp 051110475.td-b3lyp_6-31g+(d).log.xz

051110475.td-b3lyp_6-31+g(d).qchem.inp (generated)

051110475.td-b3lyp_6-31+g(d).gjf (generated)

051110475.td-b3lyp_6-31+g(d).firefly.inp (generated)

051110475.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051110475.mol 051110475.PUBCHEM 051110475.mol (via Jmol)
051110673.b3lyp_6-31g(d).inp

051110673.b3lyp_6-31g(d).qchem.inp (generated)

051110673.b3lyp_6-31g(d).gjf (generated)

051110673.b3lyp_6-31g(d).firefly.inp (generated)

051110673.b3lyp_6-31g(d).smash.inp (generated)

051110673.b3lyp_6-31g(d).nwchem.inp (generated) 051110673.b3lyp_6-31g(d).log.xz 051110673.td-b3lyp_6-31g+(d).inp 051110673.td-b3lyp_6-31g+(d).log.xz

051110673.td-b3lyp_6-31+g(d).qchem.inp (generated)

051110673.td-b3lyp_6-31+g(d).gjf (generated)

051110673.td-b3lyp_6-31+g(d).firefly.inp (generated)

051110673.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051110673.mol 051110673.PUBCHEM 051110673.mol (via Jmol)
051110675.b3lyp_6-31g(d).inp

051110675.b3lyp_6-31g(d).qchem.inp (generated)

051110675.b3lyp_6-31g(d).gjf (generated)

051110675.b3lyp_6-31g(d).firefly.inp (generated)

051110675.b3lyp_6-31g(d).smash.inp (generated)

051110675.b3lyp_6-31g(d).nwchem.inp (generated) 051110675.b3lyp_6-31g(d).log.xz 051110675.td-b3lyp_6-31g+(d).inp 051110675.td-b3lyp_6-31g+(d).log.xz

051110675.td-b3lyp_6-31+g(d).qchem.inp (generated)

051110675.td-b3lyp_6-31+g(d).gjf (generated)

051110675.td-b3lyp_6-31+g(d).firefly.inp (generated)

051110675.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051110675.mol 051110675.PUBCHEM 051110675.mol (via Jmol)
051110834.b3lyp_6-31g(d).inp

051110834.b3lyp_6-31g(d).qchem.inp (generated)

051110834.b3lyp_6-31g(d).gjf (generated)

051110834.b3lyp_6-31g(d).firefly.inp (generated)

051110834.b3lyp_6-31g(d).smash.inp (generated)

051110834.b3lyp_6-31g(d).nwchem.inp (generated) 051110834.b3lyp_6-31g(d).log.xz 051110834.td-b3lyp_6-31g+(d).inp 051110834.td-b3lyp_6-31g+(d).log.xz

051110834.td-b3lyp_6-31+g(d).qchem.inp (generated)

051110834.td-b3lyp_6-31+g(d).gjf (generated)

051110834.td-b3lyp_6-31+g(d).firefly.inp (generated)

051110834.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051110834.mol 051110834.PUBCHEM 051110834.mol (via Jmol)
051110858.b3lyp_6-31g(d).inp

051110858.b3lyp_6-31g(d).qchem.inp (generated)

051110858.b3lyp_6-31g(d).gjf (generated)

051110858.b3lyp_6-31g(d).firefly.inp (generated)

051110858.b3lyp_6-31g(d).smash.inp (generated)

051110858.b3lyp_6-31g(d).nwchem.inp (generated) 051110858.b3lyp_6-31g(d).log.xz 051110858.td-b3lyp_6-31g+(d).inp 051110858.td-b3lyp_6-31g+(d).log.xz

051110858.td-b3lyp_6-31+g(d).qchem.inp (generated)

051110858.td-b3lyp_6-31+g(d).gjf (generated)

051110858.td-b3lyp_6-31+g(d).firefly.inp (generated)

051110858.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051110858.mol 051110858.PUBCHEM 051110858.mol (via Jmol)
051110859.b3lyp_6-31g(d).inp

051110859.b3lyp_6-31g(d).qchem.inp (generated)

051110859.b3lyp_6-31g(d).gjf (generated)

051110859.b3lyp_6-31g(d).firefly.inp (generated)

051110859.b3lyp_6-31g(d).smash.inp (generated)

051110859.b3lyp_6-31g(d).nwchem.inp (generated) 051110859.b3lyp_6-31g(d).log.xz 051110859.td-b3lyp_6-31g+(d).inp 051110859.td-b3lyp_6-31g+(d).log.xz

051110859.td-b3lyp_6-31+g(d).qchem.inp (generated)

051110859.td-b3lyp_6-31+g(d).gjf (generated)

051110859.td-b3lyp_6-31+g(d).firefly.inp (generated)

051110859.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051110859.mol 051110859.PUBCHEM 051110859.mol (via Jmol)
051110946.b3lyp_6-31g(d).inp

051110946.b3lyp_6-31g(d).qchem.inp (generated)

051110946.b3lyp_6-31g(d).gjf (generated)

051110946.b3lyp_6-31g(d).firefly.inp (generated)

051110946.b3lyp_6-31g(d).smash.inp (generated)

051110946.b3lyp_6-31g(d).nwchem.inp (generated) 051110946.b3lyp_6-31g(d).log.xz 051110946.mol 051110946.PUBCHEM 051110946.mol (via Jmol)
051111085.b3lyp_6-31g(d).inp

051111085.b3lyp_6-31g(d).qchem.inp (generated)

051111085.b3lyp_6-31g(d).gjf (generated)

051111085.b3lyp_6-31g(d).firefly.inp (generated)

051111085.b3lyp_6-31g(d).smash.inp (generated)

051111085.b3lyp_6-31g(d).nwchem.inp (generated) 051111085.b3lyp_6-31g(d).log.xz 051111085.td-b3lyp_6-31g+(d).inp 051111085.td-b3lyp_6-31g+(d).log.xz

051111085.td-b3lyp_6-31+g(d).qchem.inp (generated)

051111085.td-b3lyp_6-31+g(d).gjf (generated)

051111085.td-b3lyp_6-31+g(d).firefly.inp (generated)

051111085.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051111085.mol 051111085.PUBCHEM 051111085.mol (via Jmol)
051111130.b3lyp_6-31g(d).inp

051111130.b3lyp_6-31g(d).qchem.inp (generated)

051111130.b3lyp_6-31g(d).gjf (generated)

051111130.b3lyp_6-31g(d).firefly.inp (generated)

051111130.b3lyp_6-31g(d).smash.inp (generated)

051111130.b3lyp_6-31g(d).nwchem.inp (generated) 051111130.b3lyp_6-31g(d).log.xz 051111130.mol 051111130.PUBCHEM 051111130.mol (via Jmol)
051111134.b3lyp_6-31g(d).inp

051111134.b3lyp_6-31g(d).qchem.inp (generated)

051111134.b3lyp_6-31g(d).gjf (generated)

051111134.b3lyp_6-31g(d).firefly.inp (generated)

051111134.b3lyp_6-31g(d).smash.inp (generated)

051111134.b3lyp_6-31g(d).nwchem.inp (generated) 051111134.b3lyp_6-31g(d).log.xz 051111134.td-b3lyp_6-31g+(d).inp 051111134.td-b3lyp_6-31g+(d).log.xz

051111134.td-b3lyp_6-31+g(d).qchem.inp (generated)

051111134.td-b3lyp_6-31+g(d).gjf (generated)

051111134.td-b3lyp_6-31+g(d).firefly.inp (generated)

051111134.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051111134.mol 051111134.PUBCHEM 051111134.mol (via Jmol)
051111135.b3lyp_6-31g(d).inp

051111135.b3lyp_6-31g(d).qchem.inp (generated)

051111135.b3lyp_6-31g(d).gjf (generated)

051111135.b3lyp_6-31g(d).firefly.inp (generated)

051111135.b3lyp_6-31g(d).smash.inp (generated)

051111135.b3lyp_6-31g(d).nwchem.inp (generated) 051111135.b3lyp_6-31g(d).log.xz 051111135.td-b3lyp_6-31g+(d).inp 051111135.td-b3lyp_6-31g+(d).log.xz

051111135.td-b3lyp_6-31+g(d).qchem.inp (generated)

051111135.td-b3lyp_6-31+g(d).gjf (generated)

051111135.td-b3lyp_6-31+g(d).firefly.inp (generated)

051111135.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051111135.mol 051111135.PUBCHEM 051111135.mol (via Jmol)
051111147.b3lyp_6-31g(d).inp

051111147.b3lyp_6-31g(d).qchem.inp (generated)

051111147.b3lyp_6-31g(d).gjf (generated)

051111147.b3lyp_6-31g(d).firefly.inp (generated)

051111147.b3lyp_6-31g(d).smash.inp (generated)

051111147.b3lyp_6-31g(d).nwchem.inp (generated) 051111147.b3lyp_6-31g(d).log.xz 051111147.td-b3lyp_6-31g+(d).inp 051111147.td-b3lyp_6-31g+(d).log.xz

051111147.td-b3lyp_6-31+g(d).qchem.inp (generated)

051111147.td-b3lyp_6-31+g(d).gjf (generated)

051111147.td-b3lyp_6-31+g(d).firefly.inp (generated)

051111147.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051111147.mol 051111147.PUBCHEM 051111147.mol (via Jmol)
051111207.b3lyp_6-31g(d).inp

051111207.b3lyp_6-31g(d).qchem.inp (generated)

051111207.b3lyp_6-31g(d).gjf (generated)

051111207.b3lyp_6-31g(d).firefly.inp (generated)

051111207.b3lyp_6-31g(d).smash.inp (generated)

051111207.b3lyp_6-31g(d).nwchem.inp (generated) 051111207.b3lyp_6-31g(d).log.xz 051111207.td-b3lyp_6-31g+(d).inp 051111207.td-b3lyp_6-31g+(d).log.xz

051111207.td-b3lyp_6-31+g(d).qchem.inp (generated)

051111207.td-b3lyp_6-31+g(d).gjf (generated)

051111207.td-b3lyp_6-31+g(d).firefly.inp (generated)

051111207.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051111207.mol 051111207.PUBCHEM 051111207.mol (via Jmol)
051111208.b3lyp_6-31g(d).inp

051111208.b3lyp_6-31g(d).qchem.inp (generated)

051111208.b3lyp_6-31g(d).gjf (generated)

051111208.b3lyp_6-31g(d).firefly.inp (generated)

051111208.b3lyp_6-31g(d).smash.inp (generated)

051111208.b3lyp_6-31g(d).nwchem.inp (generated) 051111208.b3lyp_6-31g(d).log.xz 051111208.td-b3lyp_6-31g+(d).inp 051111208.td-b3lyp_6-31g+(d).log.xz

051111208.td-b3lyp_6-31+g(d).qchem.inp (generated)

051111208.td-b3lyp_6-31+g(d).gjf (generated)

051111208.td-b3lyp_6-31+g(d).firefly.inp (generated)

051111208.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051111208.mol 051111208.PUBCHEM 051111208.mol (via Jmol)
051111259.b3lyp_6-31g(d).inp

051111259.b3lyp_6-31g(d).qchem.inp (generated)

051111259.b3lyp_6-31g(d).gjf (generated)

051111259.b3lyp_6-31g(d).firefly.inp (generated)

051111259.b3lyp_6-31g(d).smash.inp (generated)

051111259.b3lyp_6-31g(d).nwchem.inp (generated) 051111259.b3lyp_6-31g(d).log.xz 051111259.td-b3lyp_6-31g+(d).inp 051111259.td-b3lyp_6-31g+(d).log.xz

051111259.td-b3lyp_6-31+g(d).qchem.inp (generated)

051111259.td-b3lyp_6-31+g(d).gjf (generated)

051111259.td-b3lyp_6-31+g(d).firefly.inp (generated)

051111259.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051111259.mol 051111259.PUBCHEM 051111259.mol (via Jmol)
051111261.b3lyp_6-31g(d).inp

051111261.b3lyp_6-31g(d).qchem.inp (generated)

051111261.b3lyp_6-31g(d).gjf (generated)

051111261.b3lyp_6-31g(d).firefly.inp (generated)

051111261.b3lyp_6-31g(d).smash.inp (generated)

051111261.b3lyp_6-31g(d).nwchem.inp (generated) 051111261.b3lyp_6-31g(d).log.xz 051111261.td-b3lyp_6-31g+(d).inp 051111261.td-b3lyp_6-31g+(d).log.xz

051111261.td-b3lyp_6-31+g(d).qchem.inp (generated)

051111261.td-b3lyp_6-31+g(d).gjf (generated)

051111261.td-b3lyp_6-31+g(d).firefly.inp (generated)

051111261.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051111261.mol 051111261.PUBCHEM 051111261.mol (via Jmol)
051111310.b3lyp_6-31g(d).inp

051111310.b3lyp_6-31g(d).qchem.inp (generated)

051111310.b3lyp_6-31g(d).gjf (generated)

051111310.b3lyp_6-31g(d).firefly.inp (generated)

051111310.b3lyp_6-31g(d).smash.inp (generated)

051111310.b3lyp_6-31g(d).nwchem.inp (generated) 051111310.b3lyp_6-31g(d).log.xz 051111310.td-b3lyp_6-31g+(d).inp 051111310.td-b3lyp_6-31g+(d).log.xz

051111310.td-b3lyp_6-31+g(d).qchem.inp (generated)

051111310.td-b3lyp_6-31+g(d).gjf (generated)

051111310.td-b3lyp_6-31+g(d).firefly.inp (generated)

051111310.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051111310.mol 051111310.PUBCHEM 051111310.mol (via Jmol)
051111325.b3lyp_6-31g(d).inp

051111325.b3lyp_6-31g(d).qchem.inp (generated)

051111325.b3lyp_6-31g(d).gjf (generated)

051111325.b3lyp_6-31g(d).firefly.inp (generated)

051111325.b3lyp_6-31g(d).smash.inp (generated)

051111325.b3lyp_6-31g(d).nwchem.inp (generated) 051111325.b3lyp_6-31g(d).log.xz 051111325.td-b3lyp_6-31g+(d).inp 051111325.td-b3lyp_6-31g+(d).log.xz

051111325.td-b3lyp_6-31+g(d).qchem.inp (generated)

051111325.td-b3lyp_6-31+g(d).gjf (generated)

051111325.td-b3lyp_6-31+g(d).firefly.inp (generated)

051111325.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051111325.mol 051111325.PUBCHEM 051111325.mol (via Jmol)
051111477.b3lyp_6-31g(d).inp

051111477.b3lyp_6-31g(d).qchem.inp (generated)

051111477.b3lyp_6-31g(d).gjf (generated)

051111477.b3lyp_6-31g(d).firefly.inp (generated)

051111477.b3lyp_6-31g(d).smash.inp (generated)

051111477.b3lyp_6-31g(d).nwchem.inp (generated) 051111477.b3lyp_6-31g(d).log.xz 051111477.td-b3lyp_6-31g+(d).inp 051111477.td-b3lyp_6-31g+(d).log.xz

051111477.td-b3lyp_6-31+g(d).qchem.inp (generated)

051111477.td-b3lyp_6-31+g(d).gjf (generated)

051111477.td-b3lyp_6-31+g(d).firefly.inp (generated)

051111477.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051111477.mol 051111477.PUBCHEM 051111477.mol (via Jmol)
051111478.b3lyp_6-31g(d).inp

051111478.b3lyp_6-31g(d).qchem.inp (generated)

051111478.b3lyp_6-31g(d).gjf (generated)

051111478.b3lyp_6-31g(d).firefly.inp (generated)

051111478.b3lyp_6-31g(d).smash.inp (generated)

051111478.b3lyp_6-31g(d).nwchem.inp (generated) 051111478.b3lyp_6-31g(d).log.xz 051111478.td-b3lyp_6-31g+(d).inp 051111478.td-b3lyp_6-31g+(d).log.xz

051111478.td-b3lyp_6-31+g(d).qchem.inp (generated)

051111478.td-b3lyp_6-31+g(d).gjf (generated)

051111478.td-b3lyp_6-31+g(d).firefly.inp (generated)

051111478.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051111478.mol 051111478.PUBCHEM 051111478.mol (via Jmol)
051111481.b3lyp_6-31g(d).inp

051111481.b3lyp_6-31g(d).qchem.inp (generated)

051111481.b3lyp_6-31g(d).gjf (generated)

051111481.b3lyp_6-31g(d).firefly.inp (generated)

051111481.b3lyp_6-31g(d).smash.inp (generated)

051111481.b3lyp_6-31g(d).nwchem.inp (generated) 051111481.b3lyp_6-31g(d).log.xz 051111481.td-b3lyp_6-31g+(d).inp 051111481.td-b3lyp_6-31g+(d).log.xz

051111481.td-b3lyp_6-31+g(d).qchem.inp (generated)

051111481.td-b3lyp_6-31+g(d).gjf (generated)

051111481.td-b3lyp_6-31+g(d).firefly.inp (generated)

051111481.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051111481.mol 051111481.PUBCHEM 051111481.mol (via Jmol)
051111566.b3lyp_6-31g(d).inp

051111566.b3lyp_6-31g(d).qchem.inp (generated)

051111566.b3lyp_6-31g(d).gjf (generated)

051111566.b3lyp_6-31g(d).firefly.inp (generated)

051111566.b3lyp_6-31g(d).smash.inp (generated)

051111566.b3lyp_6-31g(d).nwchem.inp (generated) 051111566.b3lyp_6-31g(d).log.xz 051111566.td-b3lyp_6-31g+(d).inp 051111566.td-b3lyp_6-31g+(d).log.xz

051111566.td-b3lyp_6-31+g(d).qchem.inp (generated)

051111566.td-b3lyp_6-31+g(d).gjf (generated)

051111566.td-b3lyp_6-31+g(d).firefly.inp (generated)

051111566.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051111566.mol 051111566.PUBCHEM 051111566.mol (via Jmol)
051111716.b3lyp_6-31g(d).inp

051111716.b3lyp_6-31g(d).qchem.inp (generated)

051111716.b3lyp_6-31g(d).gjf (generated)

051111716.b3lyp_6-31g(d).firefly.inp (generated)

051111716.b3lyp_6-31g(d).smash.inp (generated)

051111716.b3lyp_6-31g(d).nwchem.inp (generated) 051111716.b3lyp_6-31g(d).log.xz 051111716.td-b3lyp_6-31g+(d).inp 051111716.td-b3lyp_6-31g+(d).log.xz

051111716.td-b3lyp_6-31+g(d).qchem.inp (generated)

051111716.td-b3lyp_6-31+g(d).gjf (generated)

051111716.td-b3lyp_6-31+g(d).firefly.inp (generated)

051111716.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051111716.mol 051111716.PUBCHEM 051111716.mol (via Jmol)
051111719.b3lyp_6-31g(d).inp

051111719.b3lyp_6-31g(d).qchem.inp (generated)

051111719.b3lyp_6-31g(d).gjf (generated)

051111719.b3lyp_6-31g(d).firefly.inp (generated)

051111719.b3lyp_6-31g(d).smash.inp (generated)

051111719.b3lyp_6-31g(d).nwchem.inp (generated) 051111719.b3lyp_6-31g(d).log.xz 051111719.td-b3lyp_6-31g+(d).inp 051111719.td-b3lyp_6-31g+(d).log.xz

051111719.td-b3lyp_6-31+g(d).qchem.inp (generated)

051111719.td-b3lyp_6-31+g(d).gjf (generated)

051111719.td-b3lyp_6-31+g(d).firefly.inp (generated)

051111719.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051111719.mol 051111719.PUBCHEM 051111719.mol (via Jmol)
051111720.b3lyp_6-31g(d).inp

051111720.b3lyp_6-31g(d).qchem.inp (generated)

051111720.b3lyp_6-31g(d).gjf (generated)

051111720.b3lyp_6-31g(d).firefly.inp (generated)

051111720.b3lyp_6-31g(d).smash.inp (generated)

051111720.b3lyp_6-31g(d).nwchem.inp (generated) 051111720.b3lyp_6-31g(d).log.xz 051111720.td-b3lyp_6-31g+(d).inp 051111720.td-b3lyp_6-31g+(d).log.xz

051111720.td-b3lyp_6-31+g(d).qchem.inp (generated)

051111720.td-b3lyp_6-31+g(d).gjf (generated)

051111720.td-b3lyp_6-31+g(d).firefly.inp (generated)

051111720.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051111720.mol 051111720.PUBCHEM 051111720.mol (via Jmol)
051111721.b3lyp_6-31g(d).inp

051111721.b3lyp_6-31g(d).qchem.inp (generated)

051111721.b3lyp_6-31g(d).gjf (generated)

051111721.b3lyp_6-31g(d).firefly.inp (generated)

051111721.b3lyp_6-31g(d).smash.inp (generated)

051111721.b3lyp_6-31g(d).nwchem.inp (generated) 051111721.b3lyp_6-31g(d).log.xz 051111721.td-b3lyp_6-31g+(d).inp 051111721.td-b3lyp_6-31g+(d).log.xz

051111721.td-b3lyp_6-31+g(d).qchem.inp (generated)

051111721.td-b3lyp_6-31+g(d).gjf (generated)

051111721.td-b3lyp_6-31+g(d).firefly.inp (generated)

051111721.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051111721.mol 051111721.PUBCHEM 051111721.mol (via Jmol)
051111753.b3lyp_6-31g(d).inp

051111753.b3lyp_6-31g(d).qchem.inp (generated)

051111753.b3lyp_6-31g(d).gjf (generated)

051111753.b3lyp_6-31g(d).firefly.inp (generated)

051111753.b3lyp_6-31g(d).smash.inp (generated)

051111753.b3lyp_6-31g(d).nwchem.inp (generated) 051111753.b3lyp_6-31g(d).log.xz 051111753.td-b3lyp_6-31g+(d).inp 051111753.td-b3lyp_6-31g+(d).log.xz

051111753.td-b3lyp_6-31+g(d).qchem.inp (generated)

051111753.td-b3lyp_6-31+g(d).gjf (generated)

051111753.td-b3lyp_6-31+g(d).firefly.inp (generated)

051111753.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051111753.mol 051111753.PUBCHEM 051111753.mol (via Jmol)
051111767.b3lyp_6-31g(d).inp

051111767.b3lyp_6-31g(d).qchem.inp (generated)

051111767.b3lyp_6-31g(d).gjf (generated)

051111767.b3lyp_6-31g(d).firefly.inp (generated)

051111767.b3lyp_6-31g(d).smash.inp (generated)

051111767.b3lyp_6-31g(d).nwchem.inp (generated) 051111767.b3lyp_6-31g(d).log.xz 051111767.td-b3lyp_6-31g+(d).inp 051111767.td-b3lyp_6-31g+(d).log.xz

051111767.td-b3lyp_6-31+g(d).qchem.inp (generated)

051111767.td-b3lyp_6-31+g(d).gjf (generated)

051111767.td-b3lyp_6-31+g(d).firefly.inp (generated)

051111767.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051111767.mol 051111767.PUBCHEM 051111767.mol (via Jmol)
051111770.b3lyp_6-31g(d).inp

051111770.b3lyp_6-31g(d).qchem.inp (generated)

051111770.b3lyp_6-31g(d).gjf (generated)

051111770.b3lyp_6-31g(d).firefly.inp (generated)

051111770.b3lyp_6-31g(d).smash.inp (generated)

051111770.b3lyp_6-31g(d).nwchem.inp (generated) 051111770.b3lyp_6-31g(d).log.xz 051111770.mol 051111770.PUBCHEM 051111770.mol (via Jmol)
051111938.b3lyp_6-31g(d).inp

051111938.b3lyp_6-31g(d).qchem.inp (generated)

051111938.b3lyp_6-31g(d).gjf (generated)

051111938.b3lyp_6-31g(d).firefly.inp (generated)

051111938.b3lyp_6-31g(d).smash.inp (generated)

051111938.b3lyp_6-31g(d).nwchem.inp (generated) 051111938.b3lyp_6-31g(d).log.xz 051111938.td-b3lyp_6-31g+(d).inp 051111938.td-b3lyp_6-31g+(d).log.xz

051111938.td-b3lyp_6-31+g(d).qchem.inp (generated)

051111938.td-b3lyp_6-31+g(d).gjf (generated)

051111938.td-b3lyp_6-31+g(d).firefly.inp (generated)

051111938.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051111938.mol 051111938.PUBCHEM 051111938.mol (via Jmol)
051112196.b3lyp_6-31g(d).inp

051112196.b3lyp_6-31g(d).qchem.inp (generated)

051112196.b3lyp_6-31g(d).gjf (generated)

051112196.b3lyp_6-31g(d).firefly.inp (generated)

051112196.b3lyp_6-31g(d).smash.inp (generated)

051112196.b3lyp_6-31g(d).nwchem.inp (generated) 051112196.b3lyp_6-31g(d).log.xz 051112196.td-b3lyp_6-31g+(d).inp 051112196.td-b3lyp_6-31g+(d).log.xz

051112196.td-b3lyp_6-31+g(d).qchem.inp (generated)

051112196.td-b3lyp_6-31+g(d).gjf (generated)

051112196.td-b3lyp_6-31+g(d).firefly.inp (generated)

051112196.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051112196.mol 051112196.PUBCHEM 051112196.mol (via Jmol)
051112313.b3lyp_6-31g(d).inp

051112313.b3lyp_6-31g(d).qchem.inp (generated)

051112313.b3lyp_6-31g(d).gjf (generated)

051112313.b3lyp_6-31g(d).firefly.inp (generated)

051112313.b3lyp_6-31g(d).smash.inp (generated)

051112313.b3lyp_6-31g(d).nwchem.inp (generated) 051112313.b3lyp_6-31g(d).log.xz 051112313.td-b3lyp_6-31g+(d).inp 051112313.td-b3lyp_6-31g+(d).log.xz

051112313.td-b3lyp_6-31+g(d).qchem.inp (generated)

051112313.td-b3lyp_6-31+g(d).gjf (generated)

051112313.td-b3lyp_6-31+g(d).firefly.inp (generated)

051112313.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051112313.mol 051112313.PUBCHEM 051112313.mol (via Jmol)
051112348.b3lyp_6-31g(d).inp

051112348.b3lyp_6-31g(d).qchem.inp (generated)

051112348.b3lyp_6-31g(d).gjf (generated)

051112348.b3lyp_6-31g(d).firefly.inp (generated)

051112348.b3lyp_6-31g(d).smash.inp (generated)

051112348.b3lyp_6-31g(d).nwchem.inp (generated) 051112348.b3lyp_6-31g(d).log.xz 051112348.td-b3lyp_6-31g+(d).inp 051112348.td-b3lyp_6-31g+(d).log.xz

051112348.td-b3lyp_6-31+g(d).qchem.inp (generated)

051112348.td-b3lyp_6-31+g(d).gjf (generated)

051112348.td-b3lyp_6-31+g(d).firefly.inp (generated)

051112348.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051112348.mol 051112348.PUBCHEM 051112348.mol (via Jmol)
051112349.b3lyp_6-31g(d).inp

051112349.b3lyp_6-31g(d).qchem.inp (generated)

051112349.b3lyp_6-31g(d).gjf (generated)

051112349.b3lyp_6-31g(d).firefly.inp (generated)

051112349.b3lyp_6-31g(d).smash.inp (generated)

051112349.b3lyp_6-31g(d).nwchem.inp (generated) 051112349.b3lyp_6-31g(d).log.xz 051112349.td-b3lyp_6-31g+(d).inp 051112349.td-b3lyp_6-31g+(d).log.xz

051112349.td-b3lyp_6-31+g(d).qchem.inp (generated)

051112349.td-b3lyp_6-31+g(d).gjf (generated)

051112349.td-b3lyp_6-31+g(d).firefly.inp (generated)

051112349.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051112349.mol 051112349.PUBCHEM 051112349.mol (via Jmol)
051112439.b3lyp_6-31g(d).inp

051112439.b3lyp_6-31g(d).qchem.inp (generated)

051112439.b3lyp_6-31g(d).gjf (generated)

051112439.b3lyp_6-31g(d).firefly.inp (generated)

051112439.b3lyp_6-31g(d).smash.inp (generated)

051112439.b3lyp_6-31g(d).nwchem.inp (generated) 051112439.b3lyp_6-31g(d).log.xz 051112439.td-b3lyp_6-31g+(d).inp 051112439.td-b3lyp_6-31g+(d).log.xz

051112439.td-b3lyp_6-31+g(d).qchem.inp (generated)

051112439.td-b3lyp_6-31+g(d).gjf (generated)

051112439.td-b3lyp_6-31+g(d).firefly.inp (generated)

051112439.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051112439.mol 051112439.PUBCHEM 051112439.mol (via Jmol)
051112447.b3lyp_6-31g(d).inp

051112447.b3lyp_6-31g(d).qchem.inp (generated)

051112447.b3lyp_6-31g(d).gjf (generated)

051112447.b3lyp_6-31g(d).firefly.inp (generated)

051112447.b3lyp_6-31g(d).smash.inp (generated)

051112447.b3lyp_6-31g(d).nwchem.inp (generated) 051112447.b3lyp_6-31g(d).log.xz 051112447.td-b3lyp_6-31g+(d).inp 051112447.td-b3lyp_6-31g+(d).log.xz

051112447.td-b3lyp_6-31+g(d).qchem.inp (generated)

051112447.td-b3lyp_6-31+g(d).gjf (generated)

051112447.td-b3lyp_6-31+g(d).firefly.inp (generated)

051112447.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051112447.mol 051112447.PUBCHEM 051112447.mol (via Jmol)
051112452.b3lyp_6-31g(d).inp

051112452.b3lyp_6-31g(d).qchem.inp (generated)

051112452.b3lyp_6-31g(d).gjf (generated)

051112452.b3lyp_6-31g(d).firefly.inp (generated)

051112452.b3lyp_6-31g(d).smash.inp (generated)

051112452.b3lyp_6-31g(d).nwchem.inp (generated) 051112452.b3lyp_6-31g(d).log.xz 051112452.td-b3lyp_6-31g+(d).inp 051112452.td-b3lyp_6-31g+(d).log.xz

051112452.td-b3lyp_6-31+g(d).qchem.inp (generated)

051112452.td-b3lyp_6-31+g(d).gjf (generated)

051112452.td-b3lyp_6-31+g(d).firefly.inp (generated)

051112452.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051112452.mol 051112452.PUBCHEM 051112452.mol (via Jmol)
051112464.b3lyp_6-31g(d).inp

051112464.b3lyp_6-31g(d).qchem.inp (generated)

051112464.b3lyp_6-31g(d).gjf (generated)

051112464.b3lyp_6-31g(d).firefly.inp (generated)

051112464.b3lyp_6-31g(d).smash.inp (generated)

051112464.b3lyp_6-31g(d).nwchem.inp (generated) 051112464.b3lyp_6-31g(d).log.xz 051112464.td-b3lyp_6-31g+(d).inp 051112464.td-b3lyp_6-31g+(d).log.xz

051112464.td-b3lyp_6-31+g(d).qchem.inp (generated)

051112464.td-b3lyp_6-31+g(d).gjf (generated)

051112464.td-b3lyp_6-31+g(d).firefly.inp (generated)

051112464.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051112464.mol 051112464.PUBCHEM 051112464.mol (via Jmol)
051112498.b3lyp_6-31g(d).inp

051112498.b3lyp_6-31g(d).qchem.inp (generated)

051112498.b3lyp_6-31g(d).gjf (generated)

051112498.b3lyp_6-31g(d).firefly.inp (generated)

051112498.b3lyp_6-31g(d).smash.inp (generated)

051112498.b3lyp_6-31g(d).nwchem.inp (generated) 051112498.b3lyp_6-31g(d).log.xz 051112498.td-b3lyp_6-31g+(d).inp 051112498.td-b3lyp_6-31g+(d).log.xz

051112498.td-b3lyp_6-31+g(d).qchem.inp (generated)

051112498.td-b3lyp_6-31+g(d).gjf (generated)

051112498.td-b3lyp_6-31+g(d).firefly.inp (generated)

051112498.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051112498.mol 051112498.PUBCHEM 051112498.mol (via Jmol)
051112518.b3lyp_6-31g(d).inp

051112518.b3lyp_6-31g(d).qchem.inp (generated)

051112518.b3lyp_6-31g(d).gjf (generated)

051112518.b3lyp_6-31g(d).firefly.inp (generated)

051112518.b3lyp_6-31g(d).smash.inp (generated)

051112518.b3lyp_6-31g(d).nwchem.inp (generated) 051112518.b3lyp_6-31g(d).log.xz 051112518.td-b3lyp_6-31g+(d).inp 051112518.td-b3lyp_6-31g+(d).log.xz

051112518.td-b3lyp_6-31+g(d).qchem.inp (generated)

051112518.td-b3lyp_6-31+g(d).gjf (generated)

051112518.td-b3lyp_6-31+g(d).firefly.inp (generated)

051112518.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051112518.mol 051112518.PUBCHEM 051112518.mol (via Jmol)
051112521.b3lyp_6-31g(d).inp

051112521.b3lyp_6-31g(d).qchem.inp (generated)

051112521.b3lyp_6-31g(d).gjf (generated)

051112521.b3lyp_6-31g(d).firefly.inp (generated)

051112521.b3lyp_6-31g(d).smash.inp (generated)

051112521.b3lyp_6-31g(d).nwchem.inp (generated) 051112521.b3lyp_6-31g(d).log.xz 051112521.td-b3lyp_6-31g+(d).inp 051112521.td-b3lyp_6-31g+(d).log.xz

051112521.td-b3lyp_6-31+g(d).qchem.inp (generated)

051112521.td-b3lyp_6-31+g(d).gjf (generated)

051112521.td-b3lyp_6-31+g(d).firefly.inp (generated)

051112521.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051112521.mol 051112521.PUBCHEM 051112521.mol (via Jmol)
051112534.b3lyp_6-31g(d).inp

051112534.b3lyp_6-31g(d).qchem.inp (generated)

051112534.b3lyp_6-31g(d).gjf (generated)

051112534.b3lyp_6-31g(d).firefly.inp (generated)

051112534.b3lyp_6-31g(d).smash.inp (generated)

051112534.b3lyp_6-31g(d).nwchem.inp (generated) 051112534.b3lyp_6-31g(d).log.xz 051112534.td-b3lyp_6-31g+(d).inp 051112534.td-b3lyp_6-31g+(d).log.xz

051112534.td-b3lyp_6-31+g(d).qchem.inp (generated)

051112534.td-b3lyp_6-31+g(d).gjf (generated)

051112534.td-b3lyp_6-31+g(d).firefly.inp (generated)

051112534.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051112534.mol 051112534.PUBCHEM 051112534.mol (via Jmol)
051112641.b3lyp_6-31g(d).inp

051112641.b3lyp_6-31g(d).qchem.inp (generated)

051112641.b3lyp_6-31g(d).gjf (generated)

051112641.b3lyp_6-31g(d).firefly.inp (generated)

051112641.b3lyp_6-31g(d).smash.inp (generated)

051112641.b3lyp_6-31g(d).nwchem.inp (generated) 051112641.b3lyp_6-31g(d).log.xz 051112641.td-b3lyp_6-31g+(d).inp 051112641.td-b3lyp_6-31g+(d).log.xz

051112641.td-b3lyp_6-31+g(d).qchem.inp (generated)

051112641.td-b3lyp_6-31+g(d).gjf (generated)

051112641.td-b3lyp_6-31+g(d).firefly.inp (generated)

051112641.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051112641.mol 051112641.PUBCHEM 051112641.mol (via Jmol)
051112682.b3lyp_6-31g(d).inp

051112682.b3lyp_6-31g(d).qchem.inp (generated)

051112682.b3lyp_6-31g(d).gjf (generated)

051112682.b3lyp_6-31g(d).firefly.inp (generated)

051112682.b3lyp_6-31g(d).smash.inp (generated)

051112682.b3lyp_6-31g(d).nwchem.inp (generated) 051112682.b3lyp_6-31g(d).log.xz 051112682.td-b3lyp_6-31g+(d).inp 051112682.td-b3lyp_6-31g+(d).log.xz

051112682.td-b3lyp_6-31+g(d).qchem.inp (generated)

051112682.td-b3lyp_6-31+g(d).gjf (generated)

051112682.td-b3lyp_6-31+g(d).firefly.inp (generated)

051112682.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051112682.mol 051112682.PUBCHEM 051112682.mol (via Jmol)
051112686.b3lyp_6-31g(d).inp

051112686.b3lyp_6-31g(d).qchem.inp (generated)

051112686.b3lyp_6-31g(d).gjf (generated)

051112686.b3lyp_6-31g(d).firefly.inp (generated)

051112686.b3lyp_6-31g(d).smash.inp (generated)

051112686.b3lyp_6-31g(d).nwchem.inp (generated) 051112686.b3lyp_6-31g(d).log.xz 051112686.td-b3lyp_6-31g+(d).inp 051112686.td-b3lyp_6-31g+(d).log.xz

051112686.td-b3lyp_6-31+g(d).qchem.inp (generated)

051112686.td-b3lyp_6-31+g(d).gjf (generated)

051112686.td-b3lyp_6-31+g(d).firefly.inp (generated)

051112686.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051112686.mol 051112686.PUBCHEM 051112686.mol (via Jmol)
051112707.b3lyp_6-31g(d).inp

051112707.b3lyp_6-31g(d).qchem.inp (generated)

051112707.b3lyp_6-31g(d).gjf (generated)

051112707.b3lyp_6-31g(d).firefly.inp (generated)

051112707.b3lyp_6-31g(d).smash.inp (generated)

051112707.b3lyp_6-31g(d).nwchem.inp (generated) 051112707.b3lyp_6-31g(d).log.xz 051112707.td-b3lyp_6-31g+(d).inp 051112707.td-b3lyp_6-31g+(d).log.xz

051112707.td-b3lyp_6-31+g(d).qchem.inp (generated)

051112707.td-b3lyp_6-31+g(d).gjf (generated)

051112707.td-b3lyp_6-31+g(d).firefly.inp (generated)

051112707.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051112707.mol 051112707.PUBCHEM 051112707.mol (via Jmol)
051112708.b3lyp_6-31g(d).inp

051112708.b3lyp_6-31g(d).qchem.inp (generated)

051112708.b3lyp_6-31g(d).gjf (generated)

051112708.b3lyp_6-31g(d).firefly.inp (generated)

051112708.b3lyp_6-31g(d).smash.inp (generated)

051112708.b3lyp_6-31g(d).nwchem.inp (generated) 051112708.b3lyp_6-31g(d).log.xz 051112708.td-b3lyp_6-31g+(d).inp 051112708.td-b3lyp_6-31g+(d).log.xz

051112708.td-b3lyp_6-31+g(d).qchem.inp (generated)

051112708.td-b3lyp_6-31+g(d).gjf (generated)

051112708.td-b3lyp_6-31+g(d).firefly.inp (generated)

051112708.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051112708.mol 051112708.PUBCHEM 051112708.mol (via Jmol)
051112709.b3lyp_6-31g(d).inp

051112709.b3lyp_6-31g(d).qchem.inp (generated)

051112709.b3lyp_6-31g(d).gjf (generated)

051112709.b3lyp_6-31g(d).firefly.inp (generated)

051112709.b3lyp_6-31g(d).smash.inp (generated)

051112709.b3lyp_6-31g(d).nwchem.inp (generated) 051112709.b3lyp_6-31g(d).log.xz 051112709.td-b3lyp_6-31g+(d).inp 051112709.td-b3lyp_6-31g+(d).log.xz

051112709.td-b3lyp_6-31+g(d).qchem.inp (generated)

051112709.td-b3lyp_6-31+g(d).gjf (generated)

051112709.td-b3lyp_6-31+g(d).firefly.inp (generated)

051112709.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051112709.mol 051112709.PUBCHEM 051112709.mol (via Jmol)
051112710.b3lyp_6-31g(d).inp

051112710.b3lyp_6-31g(d).qchem.inp (generated)

051112710.b3lyp_6-31g(d).gjf (generated)

051112710.b3lyp_6-31g(d).firefly.inp (generated)

051112710.b3lyp_6-31g(d).smash.inp (generated)

051112710.b3lyp_6-31g(d).nwchem.inp (generated) 051112710.b3lyp_6-31g(d).log.xz 051112710.td-b3lyp_6-31g+(d).inp 051112710.td-b3lyp_6-31g+(d).log.xz

051112710.td-b3lyp_6-31+g(d).qchem.inp (generated)

051112710.td-b3lyp_6-31+g(d).gjf (generated)

051112710.td-b3lyp_6-31+g(d).firefly.inp (generated)

051112710.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051112710.mol 051112710.PUBCHEM 051112710.mol (via Jmol)
051112711.b3lyp_6-31g(d).inp

051112711.b3lyp_6-31g(d).qchem.inp (generated)

051112711.b3lyp_6-31g(d).gjf (generated)

051112711.b3lyp_6-31g(d).firefly.inp (generated)

051112711.b3lyp_6-31g(d).smash.inp (generated)

051112711.b3lyp_6-31g(d).nwchem.inp (generated) 051112711.b3lyp_6-31g(d).log.xz 051112711.td-b3lyp_6-31g+(d).inp 051112711.td-b3lyp_6-31g+(d).log.xz

051112711.td-b3lyp_6-31+g(d).qchem.inp (generated)

051112711.td-b3lyp_6-31+g(d).gjf (generated)

051112711.td-b3lyp_6-31+g(d).firefly.inp (generated)

051112711.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051112711.mol 051112711.PUBCHEM 051112711.mol (via Jmol)
051112808.b3lyp_6-31g(d).inp

051112808.b3lyp_6-31g(d).qchem.inp (generated)

051112808.b3lyp_6-31g(d).gjf (generated)

051112808.b3lyp_6-31g(d).firefly.inp (generated)

051112808.b3lyp_6-31g(d).smash.inp (generated)

051112808.b3lyp_6-31g(d).nwchem.inp (generated) 051112808.b3lyp_6-31g(d).log.xz 051112808.td-b3lyp_6-31g+(d).inp 051112808.td-b3lyp_6-31g+(d).log.xz

051112808.td-b3lyp_6-31+g(d).qchem.inp (generated)

051112808.td-b3lyp_6-31+g(d).gjf (generated)

051112808.td-b3lyp_6-31+g(d).firefly.inp (generated)

051112808.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051112808.mol 051112808.PUBCHEM 051112808.mol (via Jmol)
051112937.b3lyp_6-31g(d).inp

051112937.b3lyp_6-31g(d).qchem.inp (generated)

051112937.b3lyp_6-31g(d).gjf (generated)

051112937.b3lyp_6-31g(d).firefly.inp (generated)

051112937.b3lyp_6-31g(d).smash.inp (generated)

051112937.b3lyp_6-31g(d).nwchem.inp (generated) 051112937.b3lyp_6-31g(d).log.xz 051112937.td-b3lyp_6-31g+(d).inp 051112937.td-b3lyp_6-31g+(d).log.xz

051112937.td-b3lyp_6-31+g(d).qchem.inp (generated)

051112937.td-b3lyp_6-31+g(d).gjf (generated)

051112937.td-b3lyp_6-31+g(d).firefly.inp (generated)

051112937.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051112937.mol 051112937.PUBCHEM 051112937.mol (via Jmol)
051113058.b3lyp_6-31g(d).inp

051113058.b3lyp_6-31g(d).qchem.inp (generated)

051113058.b3lyp_6-31g(d).gjf (generated)

051113058.b3lyp_6-31g(d).firefly.inp (generated)

051113058.b3lyp_6-31g(d).smash.inp (generated)

051113058.b3lyp_6-31g(d).nwchem.inp (generated) 051113058.b3lyp_6-31g(d).log.xz 051113058.td-b3lyp_6-31g+(d).inp 051113058.td-b3lyp_6-31g+(d).log.xz

051113058.td-b3lyp_6-31+g(d).qchem.inp (generated)

051113058.td-b3lyp_6-31+g(d).gjf (generated)

051113058.td-b3lyp_6-31+g(d).firefly.inp (generated)

051113058.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051113058.mol 051113058.PUBCHEM 051113058.mol (via Jmol)
051113059.b3lyp_6-31g(d).inp

051113059.b3lyp_6-31g(d).qchem.inp (generated)

051113059.b3lyp_6-31g(d).gjf (generated)

051113059.b3lyp_6-31g(d).firefly.inp (generated)

051113059.b3lyp_6-31g(d).smash.inp (generated)

051113059.b3lyp_6-31g(d).nwchem.inp (generated) 051113059.b3lyp_6-31g(d).log.xz 051113059.td-b3lyp_6-31g+(d).inp 051113059.td-b3lyp_6-31g+(d).log.xz

051113059.td-b3lyp_6-31+g(d).qchem.inp (generated)

051113059.td-b3lyp_6-31+g(d).gjf (generated)

051113059.td-b3lyp_6-31+g(d).firefly.inp (generated)

051113059.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051113059.mol 051113059.PUBCHEM 051113059.mol (via Jmol)
051113083.b3lyp_6-31g(d).inp

051113083.b3lyp_6-31g(d).qchem.inp (generated)

051113083.b3lyp_6-31g(d).gjf (generated)

051113083.b3lyp_6-31g(d).firefly.inp (generated)

051113083.b3lyp_6-31g(d).smash.inp (generated)

051113083.b3lyp_6-31g(d).nwchem.inp (generated) 051113083.b3lyp_6-31g(d).log.xz 051113083.td-b3lyp_6-31g+(d).inp 051113083.td-b3lyp_6-31g+(d).log.xz

051113083.td-b3lyp_6-31+g(d).qchem.inp (generated)

051113083.td-b3lyp_6-31+g(d).gjf (generated)

051113083.td-b3lyp_6-31+g(d).firefly.inp (generated)

051113083.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051113083.mol 051113083.PUBCHEM 051113083.mol (via Jmol)
051113160.b3lyp_6-31g(d).inp

051113160.b3lyp_6-31g(d).qchem.inp (generated)

051113160.b3lyp_6-31g(d).gjf (generated)

051113160.b3lyp_6-31g(d).firefly.inp (generated)

051113160.b3lyp_6-31g(d).smash.inp (generated)

051113160.b3lyp_6-31g(d).nwchem.inp (generated) 051113160.b3lyp_6-31g(d).log.xz 051113160.td-b3lyp_6-31g+(d).inp 051113160.td-b3lyp_6-31g+(d).log.xz

051113160.td-b3lyp_6-31+g(d).qchem.inp (generated)

051113160.td-b3lyp_6-31+g(d).gjf (generated)

051113160.td-b3lyp_6-31+g(d).firefly.inp (generated)

051113160.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051113160.mol 051113160.PUBCHEM 051113160.mol (via Jmol)
051113161.b3lyp_6-31g(d).inp

051113161.b3lyp_6-31g(d).qchem.inp (generated)

051113161.b3lyp_6-31g(d).gjf (generated)

051113161.b3lyp_6-31g(d).firefly.inp (generated)

051113161.b3lyp_6-31g(d).smash.inp (generated)

051113161.b3lyp_6-31g(d).nwchem.inp (generated) 051113161.b3lyp_6-31g(d).log.xz 051113161.td-b3lyp_6-31g+(d).inp 051113161.td-b3lyp_6-31g+(d).log.xz

051113161.td-b3lyp_6-31+g(d).qchem.inp (generated)

051113161.td-b3lyp_6-31+g(d).gjf (generated)

051113161.td-b3lyp_6-31+g(d).firefly.inp (generated)

051113161.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051113161.mol 051113161.PUBCHEM 051113161.mol (via Jmol)
051113173.b3lyp_6-31g(d).inp

051113173.b3lyp_6-31g(d).qchem.inp (generated)

051113173.b3lyp_6-31g(d).gjf (generated)

051113173.b3lyp_6-31g(d).firefly.inp (generated)

051113173.b3lyp_6-31g(d).smash.inp (generated)

051113173.b3lyp_6-31g(d).nwchem.inp (generated) 051113173.b3lyp_6-31g(d).log.xz 051113173.td-b3lyp_6-31g+(d).inp 051113173.td-b3lyp_6-31g+(d).log.xz

051113173.td-b3lyp_6-31+g(d).qchem.inp (generated)

051113173.td-b3lyp_6-31+g(d).gjf (generated)

051113173.td-b3lyp_6-31+g(d).firefly.inp (generated)

051113173.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051113173.mol 051113173.PUBCHEM 051113173.mol (via Jmol)
051113269.b3lyp_6-31g(d).inp

051113269.b3lyp_6-31g(d).qchem.inp (generated)

051113269.b3lyp_6-31g(d).gjf (generated)

051113269.b3lyp_6-31g(d).firefly.inp (generated)

051113269.b3lyp_6-31g(d).smash.inp (generated)

051113269.b3lyp_6-31g(d).nwchem.inp (generated) 051113269.b3lyp_6-31g(d).log.xz 051113269.td-b3lyp_6-31g+(d).inp 051113269.td-b3lyp_6-31g+(d).log.xz

051113269.td-b3lyp_6-31+g(d).qchem.inp (generated)

051113269.td-b3lyp_6-31+g(d).gjf (generated)

051113269.td-b3lyp_6-31+g(d).firefly.inp (generated)

051113269.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051113269.mol 051113269.PUBCHEM 051113269.mol (via Jmol)
051113293.b3lyp_6-31g(d).inp

051113293.b3lyp_6-31g(d).qchem.inp (generated)

051113293.b3lyp_6-31g(d).gjf (generated)

051113293.b3lyp_6-31g(d).firefly.inp (generated)

051113293.b3lyp_6-31g(d).smash.inp (generated)

051113293.b3lyp_6-31g(d).nwchem.inp (generated) 051113293.b3lyp_6-31g(d).log.xz 051113293.td-b3lyp_6-31g+(d).inp 051113293.td-b3lyp_6-31g+(d).log.xz

051113293.td-b3lyp_6-31+g(d).qchem.inp (generated)

051113293.td-b3lyp_6-31+g(d).gjf (generated)

051113293.td-b3lyp_6-31+g(d).firefly.inp (generated)

051113293.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051113293.mol 051113293.PUBCHEM 051113293.mol (via Jmol)
051113325.b3lyp_6-31g(d).inp

051113325.b3lyp_6-31g(d).qchem.inp (generated)

051113325.b3lyp_6-31g(d).gjf (generated)

051113325.b3lyp_6-31g(d).firefly.inp (generated)

051113325.b3lyp_6-31g(d).smash.inp (generated)

051113325.b3lyp_6-31g(d).nwchem.inp (generated) 051113325.b3lyp_6-31g(d).log.xz 051113325.td-b3lyp_6-31g+(d).inp 051113325.td-b3lyp_6-31g+(d).log.xz

051113325.td-b3lyp_6-31+g(d).qchem.inp (generated)

051113325.td-b3lyp_6-31+g(d).gjf (generated)

051113325.td-b3lyp_6-31+g(d).firefly.inp (generated)

051113325.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051113325.mol 051113325.PUBCHEM 051113325.mol (via Jmol)
051113326.b3lyp_6-31g(d).inp

051113326.b3lyp_6-31g(d).qchem.inp (generated)

051113326.b3lyp_6-31g(d).gjf (generated)

051113326.b3lyp_6-31g(d).firefly.inp (generated)

051113326.b3lyp_6-31g(d).smash.inp (generated)

051113326.b3lyp_6-31g(d).nwchem.inp (generated) 051113326.b3lyp_6-31g(d).log.xz 051113326.td-b3lyp_6-31g+(d).inp 051113326.td-b3lyp_6-31g+(d).log.xz

051113326.td-b3lyp_6-31+g(d).qchem.inp (generated)

051113326.td-b3lyp_6-31+g(d).gjf (generated)

051113326.td-b3lyp_6-31+g(d).firefly.inp (generated)

051113326.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051113326.mol 051113326.PUBCHEM 051113326.mol (via Jmol)
051113461.b3lyp_6-31g(d).inp

051113461.b3lyp_6-31g(d).qchem.inp (generated)

051113461.b3lyp_6-31g(d).gjf (generated)

051113461.b3lyp_6-31g(d).firefly.inp (generated)

051113461.b3lyp_6-31g(d).smash.inp (generated)

051113461.b3lyp_6-31g(d).nwchem.inp (generated) 051113461.b3lyp_6-31g(d).log.xz 051113461.td-b3lyp_6-31g+(d).inp 051113461.td-b3lyp_6-31g+(d).log.xz

051113461.td-b3lyp_6-31+g(d).qchem.inp (generated)

051113461.td-b3lyp_6-31+g(d).gjf (generated)

051113461.td-b3lyp_6-31+g(d).firefly.inp (generated)

051113461.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051113461.mol 051113461.PUBCHEM 051113461.mol (via Jmol)
051113567.b3lyp_6-31g(d).inp

051113567.b3lyp_6-31g(d).qchem.inp (generated)

051113567.b3lyp_6-31g(d).gjf (generated)

051113567.b3lyp_6-31g(d).firefly.inp (generated)

051113567.b3lyp_6-31g(d).smash.inp (generated)

051113567.b3lyp_6-31g(d).nwchem.inp (generated) 051113567.b3lyp_6-31g(d).log.xz 051113567.td-b3lyp_6-31g+(d).inp 051113567.td-b3lyp_6-31g+(d).log.xz

051113567.td-b3lyp_6-31+g(d).qchem.inp (generated)

051113567.td-b3lyp_6-31+g(d).gjf (generated)

051113567.td-b3lyp_6-31+g(d).firefly.inp (generated)

051113567.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051113567.mol 051113567.PUBCHEM 051113567.mol (via Jmol)
051113583.b3lyp_6-31g(d).inp

051113583.b3lyp_6-31g(d).qchem.inp (generated)

051113583.b3lyp_6-31g(d).gjf (generated)

051113583.b3lyp_6-31g(d).firefly.inp (generated)

051113583.b3lyp_6-31g(d).smash.inp (generated)

051113583.b3lyp_6-31g(d).nwchem.inp (generated) 051113583.b3lyp_6-31g(d).log.xz 051113583.td-b3lyp_6-31g+(d).inp 051113583.td-b3lyp_6-31g+(d).log.xz

051113583.td-b3lyp_6-31+g(d).qchem.inp (generated)

051113583.td-b3lyp_6-31+g(d).gjf (generated)

051113583.td-b3lyp_6-31+g(d).firefly.inp (generated)

051113583.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051113583.mol 051113583.PUBCHEM 051113583.mol (via Jmol)
051113620.b3lyp_6-31g(d).inp

051113620.b3lyp_6-31g(d).qchem.inp (generated)

051113620.b3lyp_6-31g(d).gjf (generated)

051113620.b3lyp_6-31g(d).firefly.inp (generated)

051113620.b3lyp_6-31g(d).smash.inp (generated)

051113620.b3lyp_6-31g(d).nwchem.inp (generated) 051113620.b3lyp_6-31g(d).log.xz 051113620.td-b3lyp_6-31g+(d).inp 051113620.td-b3lyp_6-31g+(d).log.xz

051113620.td-b3lyp_6-31+g(d).qchem.inp (generated)

051113620.td-b3lyp_6-31+g(d).gjf (generated)

051113620.td-b3lyp_6-31+g(d).firefly.inp (generated)

051113620.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051113620.mol 051113620.PUBCHEM 051113620.mol (via Jmol)
051113631.b3lyp_6-31g(d).inp

051113631.b3lyp_6-31g(d).qchem.inp (generated)

051113631.b3lyp_6-31g(d).gjf (generated)

051113631.b3lyp_6-31g(d).firefly.inp (generated)

051113631.b3lyp_6-31g(d).smash.inp (generated)

051113631.b3lyp_6-31g(d).nwchem.inp (generated) 051113631.b3lyp_6-31g(d).log.xz 051113631.td-b3lyp_6-31g+(d).inp 051113631.td-b3lyp_6-31g+(d).log.xz

051113631.td-b3lyp_6-31+g(d).qchem.inp (generated)

051113631.td-b3lyp_6-31+g(d).gjf (generated)

051113631.td-b3lyp_6-31+g(d).firefly.inp (generated)

051113631.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051113631.mol 051113631.PUBCHEM 051113631.mol (via Jmol)
051113638.b3lyp_6-31g(d).inp

051113638.b3lyp_6-31g(d).qchem.inp (generated)

051113638.b3lyp_6-31g(d).gjf (generated)

051113638.b3lyp_6-31g(d).firefly.inp (generated)

051113638.b3lyp_6-31g(d).smash.inp (generated)

051113638.b3lyp_6-31g(d).nwchem.inp (generated) 051113638.b3lyp_6-31g(d).log.xz 051113638.td-b3lyp_6-31g+(d).inp 051113638.td-b3lyp_6-31g+(d).log.xz

051113638.td-b3lyp_6-31+g(d).qchem.inp (generated)

051113638.td-b3lyp_6-31+g(d).gjf (generated)

051113638.td-b3lyp_6-31+g(d).firefly.inp (generated)

051113638.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051113638.mol 051113638.PUBCHEM 051113638.mol (via Jmol)
051113731.b3lyp_6-31g(d).inp

051113731.b3lyp_6-31g(d).qchem.inp (generated)

051113731.b3lyp_6-31g(d).gjf (generated)

051113731.b3lyp_6-31g(d).firefly.inp (generated)

051113731.b3lyp_6-31g(d).smash.inp (generated)

051113731.b3lyp_6-31g(d).nwchem.inp (generated) 051113731.b3lyp_6-31g(d).log.xz 051113731.td-b3lyp_6-31g+(d).inp 051113731.td-b3lyp_6-31g+(d).log.xz

051113731.td-b3lyp_6-31+g(d).qchem.inp (generated)

051113731.td-b3lyp_6-31+g(d).gjf (generated)

051113731.td-b3lyp_6-31+g(d).firefly.inp (generated)

051113731.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051113731.mol 051113731.PUBCHEM 051113731.mol (via Jmol)
051113732.b3lyp_6-31g(d).inp

051113732.b3lyp_6-31g(d).qchem.inp (generated)

051113732.b3lyp_6-31g(d).gjf (generated)

051113732.b3lyp_6-31g(d).firefly.inp (generated)

051113732.b3lyp_6-31g(d).smash.inp (generated)

051113732.b3lyp_6-31g(d).nwchem.inp (generated) 051113732.b3lyp_6-31g(d).log.xz 051113732.td-b3lyp_6-31g+(d).inp 051113732.td-b3lyp_6-31g+(d).log.xz

051113732.td-b3lyp_6-31+g(d).qchem.inp (generated)

051113732.td-b3lyp_6-31+g(d).gjf (generated)

051113732.td-b3lyp_6-31+g(d).firefly.inp (generated)

051113732.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051113732.mol 051113732.PUBCHEM 051113732.mol (via Jmol)
051113733.b3lyp_6-31g(d).inp

051113733.b3lyp_6-31g(d).qchem.inp (generated)

051113733.b3lyp_6-31g(d).gjf (generated)

051113733.b3lyp_6-31g(d).firefly.inp (generated)

051113733.b3lyp_6-31g(d).smash.inp (generated)

051113733.b3lyp_6-31g(d).nwchem.inp (generated) 051113733.b3lyp_6-31g(d).log.xz 051113733.td-b3lyp_6-31g+(d).inp 051113733.td-b3lyp_6-31g+(d).log.xz

051113733.td-b3lyp_6-31+g(d).qchem.inp (generated)

051113733.td-b3lyp_6-31+g(d).gjf (generated)

051113733.td-b3lyp_6-31+g(d).firefly.inp (generated)

051113733.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051113733.mol 051113733.PUBCHEM 051113733.mol (via Jmol)
051113788.b3lyp_6-31g(d).inp

051113788.b3lyp_6-31g(d).qchem.inp (generated)

051113788.b3lyp_6-31g(d).gjf (generated)

051113788.b3lyp_6-31g(d).firefly.inp (generated)

051113788.b3lyp_6-31g(d).smash.inp (generated)

051113788.b3lyp_6-31g(d).nwchem.inp (generated) 051113788.b3lyp_6-31g(d).log.xz 051113788.td-b3lyp_6-31g+(d).inp 051113788.td-b3lyp_6-31g+(d).log.xz

051113788.td-b3lyp_6-31+g(d).qchem.inp (generated)

051113788.td-b3lyp_6-31+g(d).gjf (generated)

051113788.td-b3lyp_6-31+g(d).firefly.inp (generated)

051113788.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051113788.mol 051113788.PUBCHEM 051113788.mol (via Jmol)
051113906.b3lyp_6-31g(d).inp

051113906.b3lyp_6-31g(d).qchem.inp (generated)

051113906.b3lyp_6-31g(d).gjf (generated)

051113906.b3lyp_6-31g(d).firefly.inp (generated)

051113906.b3lyp_6-31g(d).smash.inp (generated)

051113906.b3lyp_6-31g(d).nwchem.inp (generated) 051113906.b3lyp_6-31g(d).log.xz 051113906.td-b3lyp_6-31g+(d).inp 051113906.td-b3lyp_6-31g+(d).log.xz

051113906.td-b3lyp_6-31+g(d).qchem.inp (generated)

051113906.td-b3lyp_6-31+g(d).gjf (generated)

051113906.td-b3lyp_6-31+g(d).firefly.inp (generated)

051113906.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051113906.mol 051113906.PUBCHEM 051113906.mol (via Jmol)
051113926.b3lyp_6-31g(d).inp

051113926.b3lyp_6-31g(d).qchem.inp (generated)

051113926.b3lyp_6-31g(d).gjf (generated)

051113926.b3lyp_6-31g(d).firefly.inp (generated)

051113926.b3lyp_6-31g(d).smash.inp (generated)

051113926.b3lyp_6-31g(d).nwchem.inp (generated) 051113926.b3lyp_6-31g(d).log.xz 051113926.td-b3lyp_6-31g+(d).inp 051113926.td-b3lyp_6-31g+(d).log.xz

051113926.td-b3lyp_6-31+g(d).qchem.inp (generated)

051113926.td-b3lyp_6-31+g(d).gjf (generated)

051113926.td-b3lyp_6-31+g(d).firefly.inp (generated)

051113926.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051113926.mol 051113926.PUBCHEM 051113926.mol (via Jmol)
051114082.b3lyp_6-31g(d).inp

051114082.b3lyp_6-31g(d).qchem.inp (generated)

051114082.b3lyp_6-31g(d).gjf (generated)

051114082.b3lyp_6-31g(d).firefly.inp (generated)

051114082.b3lyp_6-31g(d).smash.inp (generated)

051114082.b3lyp_6-31g(d).nwchem.inp (generated) 051114082.b3lyp_6-31g(d).log.xz 051114082.td-b3lyp_6-31g+(d).inp 051114082.td-b3lyp_6-31g+(d).log.xz

051114082.td-b3lyp_6-31+g(d).qchem.inp (generated)

051114082.td-b3lyp_6-31+g(d).gjf (generated)

051114082.td-b3lyp_6-31+g(d).firefly.inp (generated)

051114082.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051114082.mol 051114082.PUBCHEM 051114082.mol (via Jmol)
051114196.b3lyp_6-31g(d).inp

051114196.b3lyp_6-31g(d).qchem.inp (generated)

051114196.b3lyp_6-31g(d).gjf (generated)

051114196.b3lyp_6-31g(d).firefly.inp (generated)

051114196.b3lyp_6-31g(d).smash.inp (generated)

051114196.b3lyp_6-31g(d).nwchem.inp (generated) 051114196.b3lyp_6-31g(d).log.xz 051114196.td-b3lyp_6-31g+(d).inp 051114196.td-b3lyp_6-31g+(d).log.xz

051114196.td-b3lyp_6-31+g(d).qchem.inp (generated)

051114196.td-b3lyp_6-31+g(d).gjf (generated)

051114196.td-b3lyp_6-31+g(d).firefly.inp (generated)

051114196.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051114196.mol 051114196.PUBCHEM 051114196.mol (via Jmol)
051114233.b3lyp_6-31g(d).inp

051114233.b3lyp_6-31g(d).qchem.inp (generated)

051114233.b3lyp_6-31g(d).gjf (generated)

051114233.b3lyp_6-31g(d).firefly.inp (generated)

051114233.b3lyp_6-31g(d).smash.inp (generated)

051114233.b3lyp_6-31g(d).nwchem.inp (generated) 051114233.b3lyp_6-31g(d).log.xz 051114233.td-b3lyp_6-31g+(d).inp 051114233.td-b3lyp_6-31g+(d).log.xz

051114233.td-b3lyp_6-31+g(d).qchem.inp (generated)

051114233.td-b3lyp_6-31+g(d).gjf (generated)

051114233.td-b3lyp_6-31+g(d).firefly.inp (generated)

051114233.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051114233.mol 051114233.PUBCHEM 051114233.mol (via Jmol)
051114235.b3lyp_6-31g(d).inp

051114235.b3lyp_6-31g(d).qchem.inp (generated)

051114235.b3lyp_6-31g(d).gjf (generated)

051114235.b3lyp_6-31g(d).firefly.inp (generated)

051114235.b3lyp_6-31g(d).smash.inp (generated)

051114235.b3lyp_6-31g(d).nwchem.inp (generated) 051114235.b3lyp_6-31g(d).log.xz 051114235.td-b3lyp_6-31g+(d).inp 051114235.td-b3lyp_6-31g+(d).log.xz

051114235.td-b3lyp_6-31+g(d).qchem.inp (generated)

051114235.td-b3lyp_6-31+g(d).gjf (generated)

051114235.td-b3lyp_6-31+g(d).firefly.inp (generated)

051114235.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051114235.mol 051114235.PUBCHEM 051114235.mol (via Jmol)
051114409.b3lyp_6-31g(d).inp

051114409.b3lyp_6-31g(d).qchem.inp (generated)

051114409.b3lyp_6-31g(d).gjf (generated)

051114409.b3lyp_6-31g(d).firefly.inp (generated)

051114409.b3lyp_6-31g(d).smash.inp (generated)

051114409.b3lyp_6-31g(d).nwchem.inp (generated) 051114409.b3lyp_6-31g(d).log.xz 051114409.td-b3lyp_6-31g+(d).inp 051114409.td-b3lyp_6-31g+(d).log.xz

051114409.td-b3lyp_6-31+g(d).qchem.inp (generated)

051114409.td-b3lyp_6-31+g(d).gjf (generated)

051114409.td-b3lyp_6-31+g(d).firefly.inp (generated)

051114409.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051114409.mol 051114409.PUBCHEM 051114409.mol (via Jmol)
051115005.b3lyp_6-31g(d).inp

051115005.b3lyp_6-31g(d).qchem.inp (generated)

051115005.b3lyp_6-31g(d).gjf (generated)

051115005.b3lyp_6-31g(d).firefly.inp (generated)

051115005.b3lyp_6-31g(d).smash.inp (generated)

051115005.b3lyp_6-31g(d).nwchem.inp (generated) 051115005.b3lyp_6-31g(d).log.xz 051115005.td-b3lyp_6-31g+(d).inp 051115005.td-b3lyp_6-31g+(d).log.xz

051115005.td-b3lyp_6-31+g(d).qchem.inp (generated)

051115005.td-b3lyp_6-31+g(d).gjf (generated)

051115005.td-b3lyp_6-31+g(d).firefly.inp (generated)

051115005.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051115005.mol 051115005.PUBCHEM 051115005.mol (via Jmol)
051115614.b3lyp_6-31g(d).inp

051115614.b3lyp_6-31g(d).qchem.inp (generated)

051115614.b3lyp_6-31g(d).gjf (generated)

051115614.b3lyp_6-31g(d).firefly.inp (generated)

051115614.b3lyp_6-31g(d).smash.inp (generated)

051115614.b3lyp_6-31g(d).nwchem.inp (generated) 051115614.b3lyp_6-31g(d).log.xz 051115614.td-b3lyp_6-31g+(d).inp 051115614.td-b3lyp_6-31g+(d).log.xz

051115614.td-b3lyp_6-31+g(d).qchem.inp (generated)

051115614.td-b3lyp_6-31+g(d).gjf (generated)

051115614.td-b3lyp_6-31+g(d).firefly.inp (generated)

051115614.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051115614.mol 051115614.PUBCHEM 051115614.mol (via Jmol)
051115625.b3lyp_6-31g(d).inp

051115625.b3lyp_6-31g(d).qchem.inp (generated)

051115625.b3lyp_6-31g(d).gjf (generated)

051115625.b3lyp_6-31g(d).firefly.inp (generated)

051115625.b3lyp_6-31g(d).smash.inp (generated)

051115625.b3lyp_6-31g(d).nwchem.inp (generated) 051115625.b3lyp_6-31g(d).log.xz 051115625.td-b3lyp_6-31g+(d).inp 051115625.td-b3lyp_6-31g+(d).log.xz

051115625.td-b3lyp_6-31+g(d).qchem.inp (generated)

051115625.td-b3lyp_6-31+g(d).gjf (generated)

051115625.td-b3lyp_6-31+g(d).firefly.inp (generated)

051115625.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051115625.mol 051115625.PUBCHEM 051115625.mol (via Jmol)
051115626.b3lyp_6-31g(d).inp

051115626.b3lyp_6-31g(d).qchem.inp (generated)

051115626.b3lyp_6-31g(d).gjf (generated)

051115626.b3lyp_6-31g(d).firefly.inp (generated)

051115626.b3lyp_6-31g(d).smash.inp (generated)

051115626.b3lyp_6-31g(d).nwchem.inp (generated) 051115626.b3lyp_6-31g(d).log.xz 051115626.td-b3lyp_6-31g+(d).inp 051115626.td-b3lyp_6-31g+(d).log.xz

051115626.td-b3lyp_6-31+g(d).qchem.inp (generated)

051115626.td-b3lyp_6-31+g(d).gjf (generated)

051115626.td-b3lyp_6-31+g(d).firefly.inp (generated)

051115626.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051115626.mol 051115626.PUBCHEM 051115626.mol (via Jmol)
051116322.b3lyp_6-31g(d).inp

051116322.b3lyp_6-31g(d).qchem.inp (generated)

051116322.b3lyp_6-31g(d).gjf (generated)

051116322.b3lyp_6-31g(d).firefly.inp (generated)

051116322.b3lyp_6-31g(d).smash.inp (generated)

051116322.b3lyp_6-31g(d).nwchem.inp (generated) 051116322.b3lyp_6-31g(d).log.xz 051116322.td-b3lyp_6-31g+(d).inp 051116322.td-b3lyp_6-31g+(d).log.xz

051116322.td-b3lyp_6-31+g(d).qchem.inp (generated)

051116322.td-b3lyp_6-31+g(d).gjf (generated)

051116322.td-b3lyp_6-31+g(d).firefly.inp (generated)

051116322.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051116322.mol 051116322.PUBCHEM 051116322.mol (via Jmol)
051116338.b3lyp_6-31g(d).inp

051116338.b3lyp_6-31g(d).qchem.inp (generated)

051116338.b3lyp_6-31g(d).gjf (generated)

051116338.b3lyp_6-31g(d).firefly.inp (generated)

051116338.b3lyp_6-31g(d).smash.inp (generated)

051116338.b3lyp_6-31g(d).nwchem.inp (generated) 051116338.b3lyp_6-31g(d).log.xz 051116338.td-b3lyp_6-31g+(d).inp 051116338.td-b3lyp_6-31g+(d).log.xz

051116338.td-b3lyp_6-31+g(d).qchem.inp (generated)

051116338.td-b3lyp_6-31+g(d).gjf (generated)

051116338.td-b3lyp_6-31+g(d).firefly.inp (generated)

051116338.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051116338.mol 051116338.PUBCHEM 051116338.mol (via Jmol)
051116413.b3lyp_6-31g(d).inp

051116413.b3lyp_6-31g(d).qchem.inp (generated)

051116413.b3lyp_6-31g(d).gjf (generated)

051116413.b3lyp_6-31g(d).firefly.inp (generated)

051116413.b3lyp_6-31g(d).smash.inp (generated)

051116413.b3lyp_6-31g(d).nwchem.inp (generated) 051116413.b3lyp_6-31g(d).log.xz 051116413.td-b3lyp_6-31g+(d).inp 051116413.td-b3lyp_6-31g+(d).log.xz

051116413.td-b3lyp_6-31+g(d).qchem.inp (generated)

051116413.td-b3lyp_6-31+g(d).gjf (generated)

051116413.td-b3lyp_6-31+g(d).firefly.inp (generated)

051116413.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051116413.mol 051116413.PUBCHEM 051116413.mol (via Jmol)
051116458.b3lyp_6-31g(d).inp

051116458.b3lyp_6-31g(d).qchem.inp (generated)

051116458.b3lyp_6-31g(d).gjf (generated)

051116458.b3lyp_6-31g(d).firefly.inp (generated)

051116458.b3lyp_6-31g(d).smash.inp (generated)

051116458.b3lyp_6-31g(d).nwchem.inp (generated) 051116458.b3lyp_6-31g(d).log.xz 051116458.td-b3lyp_6-31g+(d).inp 051116458.td-b3lyp_6-31g+(d).log.xz

051116458.td-b3lyp_6-31+g(d).qchem.inp (generated)

051116458.td-b3lyp_6-31+g(d).gjf (generated)

051116458.td-b3lyp_6-31+g(d).firefly.inp (generated)

051116458.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051116458.mol 051116458.PUBCHEM 051116458.mol (via Jmol)
051116815.b3lyp_6-31g(d).inp

051116815.b3lyp_6-31g(d).qchem.inp (generated)

051116815.b3lyp_6-31g(d).gjf (generated)

051116815.b3lyp_6-31g(d).firefly.inp (generated)

051116815.b3lyp_6-31g(d).smash.inp (generated)

051116815.b3lyp_6-31g(d).nwchem.inp (generated) 051116815.b3lyp_6-31g(d).log.xz 051116815.td-b3lyp_6-31g+(d).inp 051116815.td-b3lyp_6-31g+(d).log.xz

051116815.td-b3lyp_6-31+g(d).qchem.inp (generated)

051116815.td-b3lyp_6-31+g(d).gjf (generated)

051116815.td-b3lyp_6-31+g(d).firefly.inp (generated)

051116815.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051116815.mol 051116815.PUBCHEM 051116815.mol (via Jmol)
051116819.b3lyp_6-31g(d).inp

051116819.b3lyp_6-31g(d).qchem.inp (generated)

051116819.b3lyp_6-31g(d).gjf (generated)

051116819.b3lyp_6-31g(d).firefly.inp (generated)

051116819.b3lyp_6-31g(d).smash.inp (generated)

051116819.b3lyp_6-31g(d).nwchem.inp (generated) 051116819.b3lyp_6-31g(d).log.xz 051116819.td-b3lyp_6-31g+(d).inp 051116819.td-b3lyp_6-31g+(d).log.xz

051116819.td-b3lyp_6-31+g(d).qchem.inp (generated)

051116819.td-b3lyp_6-31+g(d).gjf (generated)

051116819.td-b3lyp_6-31+g(d).firefly.inp (generated)

051116819.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051116819.mol 051116819.PUBCHEM 051116819.mol (via Jmol)
051116912.b3lyp_6-31g(d).inp

051116912.b3lyp_6-31g(d).qchem.inp (generated)

051116912.b3lyp_6-31g(d).gjf (generated)

051116912.b3lyp_6-31g(d).firefly.inp (generated)

051116912.b3lyp_6-31g(d).smash.inp (generated)

051116912.b3lyp_6-31g(d).nwchem.inp (generated) 051116912.b3lyp_6-31g(d).log.xz 051116912.td-b3lyp_6-31g+(d).inp 051116912.td-b3lyp_6-31g+(d).log.xz

051116912.td-b3lyp_6-31+g(d).qchem.inp (generated)

051116912.td-b3lyp_6-31+g(d).gjf (generated)

051116912.td-b3lyp_6-31+g(d).firefly.inp (generated)

051116912.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051116912.mol 051116912.PUBCHEM 051116912.mol (via Jmol)
051117546.b3lyp_6-31g(d).inp

051117546.b3lyp_6-31g(d).qchem.inp (generated)

051117546.b3lyp_6-31g(d).gjf (generated)

051117546.b3lyp_6-31g(d).firefly.inp (generated)

051117546.b3lyp_6-31g(d).smash.inp (generated)

051117546.b3lyp_6-31g(d).nwchem.inp (generated) 051117546.b3lyp_6-31g(d).log.xz 051117546.td-b3lyp_6-31g+(d).inp 051117546.td-b3lyp_6-31g+(d).log.xz

051117546.td-b3lyp_6-31+g(d).qchem.inp (generated)

051117546.td-b3lyp_6-31+g(d).gjf (generated)

051117546.td-b3lyp_6-31+g(d).firefly.inp (generated)

051117546.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051117546.mol 051117546.PUBCHEM 051117546.mol (via Jmol)
051117812.b3lyp_6-31g(d).inp

051117812.b3lyp_6-31g(d).qchem.inp (generated)

051117812.b3lyp_6-31g(d).gjf (generated)

051117812.b3lyp_6-31g(d).firefly.inp (generated)

051117812.b3lyp_6-31g(d).smash.inp (generated)

051117812.b3lyp_6-31g(d).nwchem.inp (generated) 051117812.b3lyp_6-31g(d).log.xz 051117812.mol 051117812.PUBCHEM 051117812.mol (via Jmol)
051118454.b3lyp_6-31g(d).inp

051118454.b3lyp_6-31g(d).qchem.inp (generated)

051118454.b3lyp_6-31g(d).gjf (generated)

051118454.b3lyp_6-31g(d).firefly.inp (generated)

051118454.b3lyp_6-31g(d).smash.inp (generated)

051118454.b3lyp_6-31g(d).nwchem.inp (generated) 051118454.b3lyp_6-31g(d).log.xz 051118454.td-b3lyp_6-31g+(d).inp 051118454.td-b3lyp_6-31g+(d).log.xz

051118454.td-b3lyp_6-31+g(d).qchem.inp (generated)

051118454.td-b3lyp_6-31+g(d).gjf (generated)

051118454.td-b3lyp_6-31+g(d).firefly.inp (generated)

051118454.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051118454.mol 051118454.PUBCHEM 051118454.mol (via Jmol)
051118455.b3lyp_6-31g(d).inp

051118455.b3lyp_6-31g(d).qchem.inp (generated)

051118455.b3lyp_6-31g(d).gjf (generated)

051118455.b3lyp_6-31g(d).firefly.inp (generated)

051118455.b3lyp_6-31g(d).smash.inp (generated)

051118455.b3lyp_6-31g(d).nwchem.inp (generated) 051118455.b3lyp_6-31g(d).log.xz 051118455.td-b3lyp_6-31g+(d).inp 051118455.td-b3lyp_6-31g+(d).log.xz

051118455.td-b3lyp_6-31+g(d).qchem.inp (generated)

051118455.td-b3lyp_6-31+g(d).gjf (generated)

051118455.td-b3lyp_6-31+g(d).firefly.inp (generated)

051118455.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051118455.mol 051118455.PUBCHEM 051118455.mol (via Jmol)
051119269.b3lyp_6-31g(d).inp

051119269.b3lyp_6-31g(d).qchem.inp (generated)

051119269.b3lyp_6-31g(d).gjf (generated)

051119269.b3lyp_6-31g(d).firefly.inp (generated)

051119269.b3lyp_6-31g(d).smash.inp (generated)

051119269.b3lyp_6-31g(d).nwchem.inp (generated) 051119269.b3lyp_6-31g(d).log.xz 051119269.mol 051119269.PUBCHEM 051119269.mol (via Jmol)
051119648.b3lyp_6-31g(d).inp

051119648.b3lyp_6-31g(d).qchem.inp (generated)

051119648.b3lyp_6-31g(d).gjf (generated)

051119648.b3lyp_6-31g(d).firefly.inp (generated)

051119648.b3lyp_6-31g(d).smash.inp (generated)

051119648.b3lyp_6-31g(d).nwchem.inp (generated) 051119648.b3lyp_6-31g(d).log.xz 051119648.mol 051119648.PUBCHEM 051119648.mol (via Jmol)
051119668.b3lyp_6-31g(d).inp

051119668.b3lyp_6-31g(d).qchem.inp (generated)

051119668.b3lyp_6-31g(d).gjf (generated)

051119668.b3lyp_6-31g(d).firefly.inp (generated)

051119668.b3lyp_6-31g(d).smash.inp (generated)

051119668.b3lyp_6-31g(d).nwchem.inp (generated) 051119668.b3lyp_6-31g(d).log.xz 051119668.td-b3lyp_6-31g+(d).inp 051119668.td-b3lyp_6-31g+(d).log.xz

051119668.td-b3lyp_6-31+g(d).qchem.inp (generated)

051119668.td-b3lyp_6-31+g(d).gjf (generated)

051119668.td-b3lyp_6-31+g(d).firefly.inp (generated)

051119668.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051119668.mol 051119668.PUBCHEM 051119668.mol (via Jmol)
051119926.b3lyp_6-31g(d).inp

051119926.b3lyp_6-31g(d).qchem.inp (generated)

051119926.b3lyp_6-31g(d).gjf (generated)

051119926.b3lyp_6-31g(d).firefly.inp (generated)

051119926.b3lyp_6-31g(d).smash.inp (generated)

051119926.b3lyp_6-31g(d).nwchem.inp (generated) 051119926.b3lyp_6-31g(d).log.xz 051119926.td-b3lyp_6-31g+(d).inp 051119926.td-b3lyp_6-31g+(d).log.xz

051119926.td-b3lyp_6-31+g(d).qchem.inp (generated)

051119926.td-b3lyp_6-31+g(d).gjf (generated)

051119926.td-b3lyp_6-31+g(d).firefly.inp (generated)

051119926.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051119926.mol 051119926.PUBCHEM 051119926.mol (via Jmol)
051124225.b3lyp_6-31g(d).inp

051124225.b3lyp_6-31g(d).qchem.inp (generated)

051124225.b3lyp_6-31g(d).gjf (generated)

051124225.b3lyp_6-31g(d).firefly.inp (generated)

051124225.b3lyp_6-31g(d).smash.inp (generated)

051124225.b3lyp_6-31g(d).nwchem.inp (generated) 051124225.b3lyp_6-31g(d).log.xz 051124225.td-b3lyp_6-31g+(d).inp 051124225.td-b3lyp_6-31g+(d).log.xz

051124225.td-b3lyp_6-31+g(d).qchem.inp (generated)

051124225.td-b3lyp_6-31+g(d).gjf (generated)

051124225.td-b3lyp_6-31+g(d).firefly.inp (generated)

051124225.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051124225.mol 051124225.PUBCHEM 051124225.mol (via Jmol)


maho@riken.jp/maho.nakata@gmail.com