Index of

Last updated : Thu May 18 02:15:23 JST 2017
Total : 2545 (2024) in this page
000775005.b3lyp_6-31g(d).inp

000775005.b3lyp_6-31g(d).qchem.inp (generated)

000775005.b3lyp_6-31g(d).gjf (generated)

000775005.b3lyp_6-31g(d).firefly.inp (generated)

000775005.b3lyp_6-31g(d).smash.inp (generated)

000775005.b3lyp_6-31g(d).nwchem.inp (generated) 000775005.b3lyp_6-31g(d).log.xz 000775005.td-b3lyp_6-31g+(d).inp 000775005.td-b3lyp_6-31g+(d).log.xz

000775005.td-b3lyp_6-31+g(d).qchem.inp (generated)

000775005.td-b3lyp_6-31+g(d).gjf (generated)

000775005.td-b3lyp_6-31+g(d).firefly.inp (generated)

000775005.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000775005.mol 000775005.PUBCHEM 000775005.mol (via Jmol)
000775013.b3lyp_6-31g(d).inp

000775013.b3lyp_6-31g(d).qchem.inp (generated)

000775013.b3lyp_6-31g(d).gjf (generated)

000775013.b3lyp_6-31g(d).firefly.inp (generated)

000775013.b3lyp_6-31g(d).smash.inp (generated)

000775013.b3lyp_6-31g(d).nwchem.inp (generated) 000775013.b3lyp_6-31g(d).log.xz 000775013.td-b3lyp_6-31g+(d).inp 000775013.td-b3lyp_6-31g+(d).log.xz

000775013.td-b3lyp_6-31+g(d).qchem.inp (generated)

000775013.td-b3lyp_6-31+g(d).gjf (generated)

000775013.td-b3lyp_6-31+g(d).firefly.inp (generated)

000775013.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000775013.mol 000775013.PUBCHEM 000775013.mol (via Jmol)
000775015.b3lyp_6-31g(d).inp

000775015.b3lyp_6-31g(d).qchem.inp (generated)

000775015.b3lyp_6-31g(d).gjf (generated)

000775015.b3lyp_6-31g(d).firefly.inp (generated)

000775015.b3lyp_6-31g(d).smash.inp (generated)

000775015.b3lyp_6-31g(d).nwchem.inp (generated) 000775015.b3lyp_6-31g(d).log.xz 000775015.td-b3lyp_6-31g+(d).inp 000775015.td-b3lyp_6-31g+(d).log.xz

000775015.td-b3lyp_6-31+g(d).qchem.inp (generated)

000775015.td-b3lyp_6-31+g(d).gjf (generated)

000775015.td-b3lyp_6-31+g(d).firefly.inp (generated)

000775015.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000775015.mol 000775015.PUBCHEM 000775015.mol (via Jmol)
000775017.b3lyp_6-31g(d).inp

000775017.b3lyp_6-31g(d).qchem.inp (generated)

000775017.b3lyp_6-31g(d).gjf (generated)

000775017.b3lyp_6-31g(d).firefly.inp (generated)

000775017.b3lyp_6-31g(d).smash.inp (generated)

000775017.b3lyp_6-31g(d).nwchem.inp (generated) 000775017.b3lyp_6-31g(d).log.xz 000775017.td-b3lyp_6-31g+(d).inp 000775017.td-b3lyp_6-31g+(d).log.xz

000775017.td-b3lyp_6-31+g(d).qchem.inp (generated)

000775017.td-b3lyp_6-31+g(d).gjf (generated)

000775017.td-b3lyp_6-31+g(d).firefly.inp (generated)

000775017.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000775017.mol 000775017.PUBCHEM 000775017.mol (via Jmol)
000775018.b3lyp_6-31g(d).inp

000775018.b3lyp_6-31g(d).qchem.inp (generated)

000775018.b3lyp_6-31g(d).gjf (generated)

000775018.b3lyp_6-31g(d).firefly.inp (generated)

000775018.b3lyp_6-31g(d).smash.inp (generated)

000775018.b3lyp_6-31g(d).nwchem.inp (generated) 000775018.b3lyp_6-31g(d).log.xz 000775018.td-b3lyp_6-31g+(d).inp 000775018.td-b3lyp_6-31g+(d).log.xz

000775018.td-b3lyp_6-31+g(d).qchem.inp (generated)

000775018.td-b3lyp_6-31+g(d).gjf (generated)

000775018.td-b3lyp_6-31+g(d).firefly.inp (generated)

000775018.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000775018.mol 000775018.PUBCHEM 000775018.mol (via Jmol)
000775019.b3lyp_6-31g(d).inp

000775019.b3lyp_6-31g(d).qchem.inp (generated)

000775019.b3lyp_6-31g(d).gjf (generated)

000775019.b3lyp_6-31g(d).firefly.inp (generated)

000775019.b3lyp_6-31g(d).smash.inp (generated)

000775019.b3lyp_6-31g(d).nwchem.inp (generated) 000775019.b3lyp_6-31g(d).log.xz 000775019.td-b3lyp_6-31g+(d).inp 000775019.td-b3lyp_6-31g+(d).log.xz

000775019.td-b3lyp_6-31+g(d).qchem.inp (generated)

000775019.td-b3lyp_6-31+g(d).gjf (generated)

000775019.td-b3lyp_6-31+g(d).firefly.inp (generated)

000775019.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000775019.mol 000775019.PUBCHEM 000775019.mol (via Jmol)
000775021.b3lyp_6-31g(d).inp

000775021.b3lyp_6-31g(d).qchem.inp (generated)

000775021.b3lyp_6-31g(d).gjf (generated)

000775021.b3lyp_6-31g(d).firefly.inp (generated)

000775021.b3lyp_6-31g(d).smash.inp (generated)

000775021.b3lyp_6-31g(d).nwchem.inp (generated) 000775021.b3lyp_6-31g(d).log.xz 000775021.td-b3lyp_6-31g+(d).inp 000775021.td-b3lyp_6-31g+(d).log.xz

000775021.td-b3lyp_6-31+g(d).qchem.inp (generated)

000775021.td-b3lyp_6-31+g(d).gjf (generated)

000775021.td-b3lyp_6-31+g(d).firefly.inp (generated)

000775021.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000775021.mol 000775021.PUBCHEM 000775021.mol (via Jmol)
000775073.b3lyp_6-31g(d).inp

000775073.b3lyp_6-31g(d).qchem.inp (generated)

000775073.b3lyp_6-31g(d).gjf (generated)

000775073.b3lyp_6-31g(d).firefly.inp (generated)

000775073.b3lyp_6-31g(d).smash.inp (generated)

000775073.b3lyp_6-31g(d).nwchem.inp (generated) 000775073.b3lyp_6-31g(d).log.xz 000775073.td-b3lyp_6-31g+(d).inp 000775073.td-b3lyp_6-31g+(d).log.xz

000775073.td-b3lyp_6-31+g(d).qchem.inp (generated)

000775073.td-b3lyp_6-31+g(d).gjf (generated)

000775073.td-b3lyp_6-31+g(d).firefly.inp (generated)

000775073.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000775073.mol 000775073.PUBCHEM 000775073.mol (via Jmol)
000775090.b3lyp_6-31g(d).inp

000775090.b3lyp_6-31g(d).qchem.inp (generated)

000775090.b3lyp_6-31g(d).gjf (generated)

000775090.b3lyp_6-31g(d).firefly.inp (generated)

000775090.b3lyp_6-31g(d).smash.inp (generated)

000775090.b3lyp_6-31g(d).nwchem.inp (generated) 000775090.b3lyp_6-31g(d).log.xz 000775090.td-b3lyp_6-31g+(d).inp 000775090.td-b3lyp_6-31g+(d).log.xz

000775090.td-b3lyp_6-31+g(d).qchem.inp (generated)

000775090.td-b3lyp_6-31+g(d).gjf (generated)

000775090.td-b3lyp_6-31+g(d).firefly.inp (generated)

000775090.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000775090.mol 000775090.PUBCHEM 000775090.mol (via Jmol)
000775091.b3lyp_6-31g(d).inp

000775091.b3lyp_6-31g(d).qchem.inp (generated)

000775091.b3lyp_6-31g(d).gjf (generated)

000775091.b3lyp_6-31g(d).firefly.inp (generated)

000775091.b3lyp_6-31g(d).smash.inp (generated)

000775091.b3lyp_6-31g(d).nwchem.inp (generated) 000775091.b3lyp_6-31g(d).log.xz 000775091.td-b3lyp_6-31g+(d).inp 000775091.td-b3lyp_6-31g+(d).log.xz

000775091.td-b3lyp_6-31+g(d).qchem.inp (generated)

000775091.td-b3lyp_6-31+g(d).gjf (generated)

000775091.td-b3lyp_6-31+g(d).firefly.inp (generated)

000775091.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000775091.mol 000775091.PUBCHEM 000775091.mol (via Jmol)
000775099.b3lyp_6-31g(d).inp

000775099.b3lyp_6-31g(d).qchem.inp (generated)

000775099.b3lyp_6-31g(d).gjf (generated)

000775099.b3lyp_6-31g(d).firefly.inp (generated)

000775099.b3lyp_6-31g(d).smash.inp (generated)

000775099.b3lyp_6-31g(d).nwchem.inp (generated) 000775099.b3lyp_6-31g(d).log.xz 000775099.td-b3lyp_6-31g+(d).inp 000775099.td-b3lyp_6-31g+(d).log.xz

000775099.td-b3lyp_6-31+g(d).qchem.inp (generated)

000775099.td-b3lyp_6-31+g(d).gjf (generated)

000775099.td-b3lyp_6-31+g(d).firefly.inp (generated)

000775099.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000775099.mol 000775099.PUBCHEM 000775099.mol (via Jmol)
000775102.b3lyp_6-31g(d).inp

000775102.b3lyp_6-31g(d).qchem.inp (generated)

000775102.b3lyp_6-31g(d).gjf (generated)

000775102.b3lyp_6-31g(d).firefly.inp (generated)

000775102.b3lyp_6-31g(d).smash.inp (generated)

000775102.b3lyp_6-31g(d).nwchem.inp (generated) 000775102.b3lyp_6-31g(d).log.xz 000775102.td-b3lyp_6-31g+(d).inp 000775102.td-b3lyp_6-31g+(d).log.xz

000775102.td-b3lyp_6-31+g(d).qchem.inp (generated)

000775102.td-b3lyp_6-31+g(d).gjf (generated)

000775102.td-b3lyp_6-31+g(d).firefly.inp (generated)

000775102.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000775102.mol 000775102.PUBCHEM 000775102.mol (via Jmol)
000775105.b3lyp_6-31g(d).inp

000775105.b3lyp_6-31g(d).qchem.inp (generated)

000775105.b3lyp_6-31g(d).gjf (generated)

000775105.b3lyp_6-31g(d).firefly.inp (generated)

000775105.b3lyp_6-31g(d).smash.inp (generated)

000775105.b3lyp_6-31g(d).nwchem.inp (generated) 000775105.b3lyp_6-31g(d).log.xz 000775105.td-b3lyp_6-31g+(d).inp 000775105.td-b3lyp_6-31g+(d).log.xz

000775105.td-b3lyp_6-31+g(d).qchem.inp (generated)

000775105.td-b3lyp_6-31+g(d).gjf (generated)

000775105.td-b3lyp_6-31+g(d).firefly.inp (generated)

000775105.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000775105.mol 000775105.PUBCHEM 000775105.mol (via Jmol)
000775130.b3lyp_6-31g(d).inp

000775130.b3lyp_6-31g(d).qchem.inp (generated)

000775130.b3lyp_6-31g(d).gjf (generated)

000775130.b3lyp_6-31g(d).firefly.inp (generated)

000775130.b3lyp_6-31g(d).smash.inp (generated)

000775130.b3lyp_6-31g(d).nwchem.inp (generated) 000775130.b3lyp_6-31g(d).log.xz 000775130.mol 000775130.PUBCHEM 000775130.mol (via Jmol)
000775141.b3lyp_6-31g(d).inp

000775141.b3lyp_6-31g(d).qchem.inp (generated)

000775141.b3lyp_6-31g(d).gjf (generated)

000775141.b3lyp_6-31g(d).firefly.inp (generated)

000775141.b3lyp_6-31g(d).smash.inp (generated)

000775141.b3lyp_6-31g(d).nwchem.inp (generated) 000775141.b3lyp_6-31g(d).log.xz 000775141.td-b3lyp_6-31g+(d).inp 000775141.td-b3lyp_6-31g+(d).log.xz

000775141.td-b3lyp_6-31+g(d).qchem.inp (generated)

000775141.td-b3lyp_6-31+g(d).gjf (generated)

000775141.td-b3lyp_6-31+g(d).firefly.inp (generated)

000775141.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000775141.mol 000775141.PUBCHEM 000775141.mol (via Jmol)
000775144.b3lyp_6-31g(d).inp

000775144.b3lyp_6-31g(d).qchem.inp (generated)

000775144.b3lyp_6-31g(d).gjf (generated)

000775144.b3lyp_6-31g(d).firefly.inp (generated)

000775144.b3lyp_6-31g(d).smash.inp (generated)

000775144.b3lyp_6-31g(d).nwchem.inp (generated) 000775144.b3lyp_6-31g(d).log.xz 000775144.td-b3lyp_6-31g+(d).inp 000775144.td-b3lyp_6-31g+(d).log.xz

000775144.td-b3lyp_6-31+g(d).qchem.inp (generated)

000775144.td-b3lyp_6-31+g(d).gjf (generated)

000775144.td-b3lyp_6-31+g(d).firefly.inp (generated)

000775144.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000775144.mol 000775144.PUBCHEM 000775144.mol (via Jmol)
000775184.b3lyp_6-31g(d).inp

000775184.b3lyp_6-31g(d).qchem.inp (generated)

000775184.b3lyp_6-31g(d).gjf (generated)

000775184.b3lyp_6-31g(d).firefly.inp (generated)

000775184.b3lyp_6-31g(d).smash.inp (generated)

000775184.b3lyp_6-31g(d).nwchem.inp (generated) 000775184.b3lyp_6-31g(d).log.xz 000775184.td-b3lyp_6-31g+(d).inp 000775184.td-b3lyp_6-31g+(d).log.xz

000775184.td-b3lyp_6-31+g(d).qchem.inp (generated)

000775184.td-b3lyp_6-31+g(d).gjf (generated)

000775184.td-b3lyp_6-31+g(d).firefly.inp (generated)

000775184.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000775184.mol 000775184.PUBCHEM 000775184.mol (via Jmol)
000775195.b3lyp_6-31g(d).inp

000775195.b3lyp_6-31g(d).qchem.inp (generated)

000775195.b3lyp_6-31g(d).gjf (generated)

000775195.b3lyp_6-31g(d).firefly.inp (generated)

000775195.b3lyp_6-31g(d).smash.inp (generated)

000775195.b3lyp_6-31g(d).nwchem.inp (generated) 000775195.b3lyp_6-31g(d).log.xz 000775195.td-b3lyp_6-31g+(d).inp 000775195.td-b3lyp_6-31g+(d).log.xz

000775195.td-b3lyp_6-31+g(d).qchem.inp (generated)

000775195.td-b3lyp_6-31+g(d).gjf (generated)

000775195.td-b3lyp_6-31+g(d).firefly.inp (generated)

000775195.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000775195.mol 000775195.PUBCHEM 000775195.mol (via Jmol)
000775201.b3lyp_6-31g(d).inp

000775201.b3lyp_6-31g(d).qchem.inp (generated)

000775201.b3lyp_6-31g(d).gjf (generated)

000775201.b3lyp_6-31g(d).firefly.inp (generated)

000775201.b3lyp_6-31g(d).smash.inp (generated)

000775201.b3lyp_6-31g(d).nwchem.inp (generated) 000775201.b3lyp_6-31g(d).log.xz 000775201.td-b3lyp_6-31g+(d).inp 000775201.td-b3lyp_6-31g+(d).log.xz

000775201.td-b3lyp_6-31+g(d).qchem.inp (generated)

000775201.td-b3lyp_6-31+g(d).gjf (generated)

000775201.td-b3lyp_6-31+g(d).firefly.inp (generated)

000775201.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000775201.mol 000775201.PUBCHEM 000775201.mol (via Jmol)
000775210.b3lyp_6-31g(d).inp

000775210.b3lyp_6-31g(d).qchem.inp (generated)

000775210.b3lyp_6-31g(d).gjf (generated)

000775210.b3lyp_6-31g(d).firefly.inp (generated)

000775210.b3lyp_6-31g(d).smash.inp (generated)

000775210.b3lyp_6-31g(d).nwchem.inp (generated) 000775210.b3lyp_6-31g(d).log.xz 000775210.mol 000775210.PUBCHEM 000775210.mol (via Jmol)
000775212.b3lyp_6-31g(d).inp

000775212.b3lyp_6-31g(d).qchem.inp (generated)

000775212.b3lyp_6-31g(d).gjf (generated)

000775212.b3lyp_6-31g(d).firefly.inp (generated)

000775212.b3lyp_6-31g(d).smash.inp (generated)

000775212.b3lyp_6-31g(d).nwchem.inp (generated) 000775212.b3lyp_6-31g(d).log.xz 000775212.td-b3lyp_6-31g+(d).inp 000775212.td-b3lyp_6-31g+(d).log.xz

000775212.td-b3lyp_6-31+g(d).qchem.inp (generated)

000775212.td-b3lyp_6-31+g(d).gjf (generated)

000775212.td-b3lyp_6-31+g(d).firefly.inp (generated)

000775212.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000775212.mol 000775212.PUBCHEM 000775212.mol (via Jmol)
000775219.b3lyp_6-31g(d).inp

000775219.b3lyp_6-31g(d).qchem.inp (generated)

000775219.b3lyp_6-31g(d).gjf (generated)

000775219.b3lyp_6-31g(d).firefly.inp (generated)

000775219.b3lyp_6-31g(d).smash.inp (generated)

000775219.b3lyp_6-31g(d).nwchem.inp (generated) 000775219.b3lyp_6-31g(d).log.xz 000775219.td-b3lyp_6-31g+(d).inp 000775219.td-b3lyp_6-31g+(d).log.xz

000775219.td-b3lyp_6-31+g(d).qchem.inp (generated)

000775219.td-b3lyp_6-31+g(d).gjf (generated)

000775219.td-b3lyp_6-31+g(d).firefly.inp (generated)

000775219.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000775219.mol 000775219.PUBCHEM 000775219.mol (via Jmol)
000775221.b3lyp_6-31g(d).inp

000775221.b3lyp_6-31g(d).qchem.inp (generated)

000775221.b3lyp_6-31g(d).gjf (generated)

000775221.b3lyp_6-31g(d).firefly.inp (generated)

000775221.b3lyp_6-31g(d).smash.inp (generated)

000775221.b3lyp_6-31g(d).nwchem.inp (generated) 000775221.b3lyp_6-31g(d).log.xz 000775221.td-b3lyp_6-31g+(d).inp 000775221.td-b3lyp_6-31g+(d).log.xz

000775221.td-b3lyp_6-31+g(d).qchem.inp (generated)

000775221.td-b3lyp_6-31+g(d).gjf (generated)

000775221.td-b3lyp_6-31+g(d).firefly.inp (generated)

000775221.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000775221.mol 000775221.PUBCHEM 000775221.mol (via Jmol)
000775228.b3lyp_6-31g(d).inp

000775228.b3lyp_6-31g(d).qchem.inp (generated)

000775228.b3lyp_6-31g(d).gjf (generated)

000775228.b3lyp_6-31g(d).firefly.inp (generated)

000775228.b3lyp_6-31g(d).smash.inp (generated)

000775228.b3lyp_6-31g(d).nwchem.inp (generated) 000775228.b3lyp_6-31g(d).log.xz 000775228.td-b3lyp_6-31g+(d).inp 000775228.td-b3lyp_6-31g+(d).log.xz

000775228.td-b3lyp_6-31+g(d).qchem.inp (generated)

000775228.td-b3lyp_6-31+g(d).gjf (generated)

000775228.td-b3lyp_6-31+g(d).firefly.inp (generated)

000775228.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000775228.mol 000775228.PUBCHEM 000775228.mol (via Jmol)
000775231.b3lyp_6-31g(d).inp

000775231.b3lyp_6-31g(d).qchem.inp (generated)

000775231.b3lyp_6-31g(d).gjf (generated)

000775231.b3lyp_6-31g(d).firefly.inp (generated)

000775231.b3lyp_6-31g(d).smash.inp (generated)

000775231.b3lyp_6-31g(d).nwchem.inp (generated) 000775231.b3lyp_6-31g(d).log.xz 000775231.td-b3lyp_6-31g+(d).inp 000775231.td-b3lyp_6-31g+(d).log.xz

000775231.td-b3lyp_6-31+g(d).qchem.inp (generated)

000775231.td-b3lyp_6-31+g(d).gjf (generated)

000775231.td-b3lyp_6-31+g(d).firefly.inp (generated)

000775231.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000775231.mol 000775231.PUBCHEM 000775231.mol (via Jmol)
000775232.b3lyp_6-31g(d).inp

000775232.b3lyp_6-31g(d).qchem.inp (generated)

000775232.b3lyp_6-31g(d).gjf (generated)

000775232.b3lyp_6-31g(d).firefly.inp (generated)

000775232.b3lyp_6-31g(d).smash.inp (generated)

000775232.b3lyp_6-31g(d).nwchem.inp (generated) 000775232.b3lyp_6-31g(d).log.xz 000775232.td-b3lyp_6-31g+(d).inp 000775232.td-b3lyp_6-31g+(d).log.xz

000775232.td-b3lyp_6-31+g(d).qchem.inp (generated)

000775232.td-b3lyp_6-31+g(d).gjf (generated)

000775232.td-b3lyp_6-31+g(d).firefly.inp (generated)

000775232.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000775232.mol 000775232.PUBCHEM 000775232.mol (via Jmol)
000775239.b3lyp_6-31g(d).inp

000775239.b3lyp_6-31g(d).qchem.inp (generated)

000775239.b3lyp_6-31g(d).gjf (generated)

000775239.b3lyp_6-31g(d).firefly.inp (generated)

000775239.b3lyp_6-31g(d).smash.inp (generated)

000775239.b3lyp_6-31g(d).nwchem.inp (generated) 000775239.b3lyp_6-31g(d).log.xz 000775239.mol 000775239.PUBCHEM 000775239.mol (via Jmol)
000775242.b3lyp_6-31g(d).inp

000775242.b3lyp_6-31g(d).qchem.inp (generated)

000775242.b3lyp_6-31g(d).gjf (generated)

000775242.b3lyp_6-31g(d).firefly.inp (generated)

000775242.b3lyp_6-31g(d).smash.inp (generated)

000775242.b3lyp_6-31g(d).nwchem.inp (generated) 000775242.b3lyp_6-31g(d).log.xz 000775242.td-b3lyp_6-31g+(d).inp 000775242.td-b3lyp_6-31g+(d).log.xz

000775242.td-b3lyp_6-31+g(d).qchem.inp (generated)

000775242.td-b3lyp_6-31+g(d).gjf (generated)

000775242.td-b3lyp_6-31+g(d).firefly.inp (generated)

000775242.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000775242.mol 000775242.PUBCHEM 000775242.mol (via Jmol)
000775243.b3lyp_6-31g(d).inp

000775243.b3lyp_6-31g(d).qchem.inp (generated)

000775243.b3lyp_6-31g(d).gjf (generated)

000775243.b3lyp_6-31g(d).firefly.inp (generated)

000775243.b3lyp_6-31g(d).smash.inp (generated)

000775243.b3lyp_6-31g(d).nwchem.inp (generated) 000775243.b3lyp_6-31g(d).log.xz 000775243.td-b3lyp_6-31g+(d).inp 000775243.td-b3lyp_6-31g+(d).log.xz

000775243.td-b3lyp_6-31+g(d).qchem.inp (generated)

000775243.td-b3lyp_6-31+g(d).gjf (generated)

000775243.td-b3lyp_6-31+g(d).firefly.inp (generated)

000775243.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000775243.mol 000775243.PUBCHEM 000775243.mol (via Jmol)
000775250.b3lyp_6-31g(d).inp

000775250.b3lyp_6-31g(d).qchem.inp (generated)

000775250.b3lyp_6-31g(d).gjf (generated)

000775250.b3lyp_6-31g(d).firefly.inp (generated)

000775250.b3lyp_6-31g(d).smash.inp (generated)

000775250.b3lyp_6-31g(d).nwchem.inp (generated) 000775250.b3lyp_6-31g(d).log.xz 000775250.td-b3lyp_6-31g+(d).inp 000775250.td-b3lyp_6-31g+(d).log.xz

000775250.td-b3lyp_6-31+g(d).qchem.inp (generated)

000775250.td-b3lyp_6-31+g(d).gjf (generated)

000775250.td-b3lyp_6-31+g(d).firefly.inp (generated)

000775250.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000775250.mol 000775250.PUBCHEM 000775250.mol (via Jmol)
000775251.b3lyp_6-31g(d).inp

000775251.b3lyp_6-31g(d).qchem.inp (generated)

000775251.b3lyp_6-31g(d).gjf (generated)

000775251.b3lyp_6-31g(d).firefly.inp (generated)

000775251.b3lyp_6-31g(d).smash.inp (generated)

000775251.b3lyp_6-31g(d).nwchem.inp (generated) 000775251.b3lyp_6-31g(d).log.xz 000775251.td-b3lyp_6-31g+(d).inp 000775251.td-b3lyp_6-31g+(d).log.xz

000775251.td-b3lyp_6-31+g(d).qchem.inp (generated)

000775251.td-b3lyp_6-31+g(d).gjf (generated)

000775251.td-b3lyp_6-31+g(d).firefly.inp (generated)

000775251.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000775251.mol 000775251.PUBCHEM 000775251.mol (via Jmol)
000775276.b3lyp_6-31g(d).inp

000775276.b3lyp_6-31g(d).qchem.inp (generated)

000775276.b3lyp_6-31g(d).gjf (generated)

000775276.b3lyp_6-31g(d).firefly.inp (generated)

000775276.b3lyp_6-31g(d).smash.inp (generated)

000775276.b3lyp_6-31g(d).nwchem.inp (generated) 000775276.b3lyp_6-31g(d).log.xz 000775276.td-b3lyp_6-31g+(d).inp 000775276.td-b3lyp_6-31g+(d).log.xz

000775276.td-b3lyp_6-31+g(d).qchem.inp (generated)

000775276.td-b3lyp_6-31+g(d).gjf (generated)

000775276.td-b3lyp_6-31+g(d).firefly.inp (generated)

000775276.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000775276.mol 000775276.PUBCHEM 000775276.mol (via Jmol)
000775294.b3lyp_6-31g(d).inp

000775294.b3lyp_6-31g(d).qchem.inp (generated)

000775294.b3lyp_6-31g(d).gjf (generated)

000775294.b3lyp_6-31g(d).firefly.inp (generated)

000775294.b3lyp_6-31g(d).smash.inp (generated)

000775294.b3lyp_6-31g(d).nwchem.inp (generated) 000775294.b3lyp_6-31g(d).log.xz 000775294.td-b3lyp_6-31g+(d).inp 000775294.td-b3lyp_6-31g+(d).log.xz

000775294.td-b3lyp_6-31+g(d).qchem.inp (generated)

000775294.td-b3lyp_6-31+g(d).gjf (generated)

000775294.td-b3lyp_6-31+g(d).firefly.inp (generated)

000775294.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000775294.mol 000775294.PUBCHEM 000775294.mol (via Jmol)
000775303.b3lyp_6-31g(d).inp

000775303.b3lyp_6-31g(d).qchem.inp (generated)

000775303.b3lyp_6-31g(d).gjf (generated)

000775303.b3lyp_6-31g(d).firefly.inp (generated)

000775303.b3lyp_6-31g(d).smash.inp (generated)

000775303.b3lyp_6-31g(d).nwchem.inp (generated) 000775303.b3lyp_6-31g(d).log.xz 000775303.td-b3lyp_6-31g+(d).inp 000775303.td-b3lyp_6-31g+(d).log.xz

000775303.td-b3lyp_6-31+g(d).qchem.inp (generated)

000775303.td-b3lyp_6-31+g(d).gjf (generated)

000775303.td-b3lyp_6-31+g(d).firefly.inp (generated)

000775303.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000775303.mol 000775303.PUBCHEM 000775303.mol (via Jmol)
000775309.b3lyp_6-31g(d).inp

000775309.b3lyp_6-31g(d).qchem.inp (generated)

000775309.b3lyp_6-31g(d).gjf (generated)

000775309.b3lyp_6-31g(d).firefly.inp (generated)

000775309.b3lyp_6-31g(d).smash.inp (generated)

000775309.b3lyp_6-31g(d).nwchem.inp (generated) 000775309.b3lyp_6-31g(d).log.xz 000775309.td-b3lyp_6-31g+(d).inp 000775309.td-b3lyp_6-31g+(d).log.xz

000775309.td-b3lyp_6-31+g(d).qchem.inp (generated)

000775309.td-b3lyp_6-31+g(d).gjf (generated)

000775309.td-b3lyp_6-31+g(d).firefly.inp (generated)

000775309.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000775309.mol 000775309.PUBCHEM 000775309.mol (via Jmol)
000775318.b3lyp_6-31g(d).inp

000775318.b3lyp_6-31g(d).qchem.inp (generated)

000775318.b3lyp_6-31g(d).gjf (generated)

000775318.b3lyp_6-31g(d).firefly.inp (generated)

000775318.b3lyp_6-31g(d).smash.inp (generated)

000775318.b3lyp_6-31g(d).nwchem.inp (generated) 000775318.b3lyp_6-31g(d).log.xz 000775318.td-b3lyp_6-31g+(d).inp 000775318.td-b3lyp_6-31g+(d).log.xz

000775318.td-b3lyp_6-31+g(d).qchem.inp (generated)

000775318.td-b3lyp_6-31+g(d).gjf (generated)

000775318.td-b3lyp_6-31+g(d).firefly.inp (generated)

000775318.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000775318.mol 000775318.PUBCHEM 000775318.mol (via Jmol)
000775319.b3lyp_6-31g(d).inp

000775319.b3lyp_6-31g(d).qchem.inp (generated)

000775319.b3lyp_6-31g(d).gjf (generated)

000775319.b3lyp_6-31g(d).firefly.inp (generated)

000775319.b3lyp_6-31g(d).smash.inp (generated)

000775319.b3lyp_6-31g(d).nwchem.inp (generated) 000775319.b3lyp_6-31g(d).log.xz 000775319.td-b3lyp_6-31g+(d).inp 000775319.td-b3lyp_6-31g+(d).log.xz

000775319.td-b3lyp_6-31+g(d).qchem.inp (generated)

000775319.td-b3lyp_6-31+g(d).gjf (generated)

000775319.td-b3lyp_6-31+g(d).firefly.inp (generated)

000775319.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000775319.mol 000775319.PUBCHEM 000775319.mol (via Jmol)
000775324.b3lyp_6-31g(d).inp

000775324.b3lyp_6-31g(d).qchem.inp (generated)

000775324.b3lyp_6-31g(d).gjf (generated)

000775324.b3lyp_6-31g(d).firefly.inp (generated)

000775324.b3lyp_6-31g(d).smash.inp (generated)

000775324.b3lyp_6-31g(d).nwchem.inp (generated) 000775324.b3lyp_6-31g(d).log.xz 000775324.td-b3lyp_6-31g+(d).inp 000775324.td-b3lyp_6-31g+(d).log.xz

000775324.td-b3lyp_6-31+g(d).qchem.inp (generated)

000775324.td-b3lyp_6-31+g(d).gjf (generated)

000775324.td-b3lyp_6-31+g(d).firefly.inp (generated)

000775324.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000775324.mol 000775324.PUBCHEM 000775324.mol (via Jmol)
000775404.b3lyp_6-31g(d).inp

000775404.b3lyp_6-31g(d).qchem.inp (generated)

000775404.b3lyp_6-31g(d).gjf (generated)

000775404.b3lyp_6-31g(d).firefly.inp (generated)

000775404.b3lyp_6-31g(d).smash.inp (generated)

000775404.b3lyp_6-31g(d).nwchem.inp (generated) 000775404.b3lyp_6-31g(d).log.xz 000775404.td-b3lyp_6-31g+(d).inp 000775404.td-b3lyp_6-31g+(d).log.xz

000775404.td-b3lyp_6-31+g(d).qchem.inp (generated)

000775404.td-b3lyp_6-31+g(d).gjf (generated)

000775404.td-b3lyp_6-31+g(d).firefly.inp (generated)

000775404.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000775404.mol 000775404.PUBCHEM 000775404.mol (via Jmol)
000775405.b3lyp_6-31g(d).inp

000775405.b3lyp_6-31g(d).qchem.inp (generated)

000775405.b3lyp_6-31g(d).gjf (generated)

000775405.b3lyp_6-31g(d).firefly.inp (generated)

000775405.b3lyp_6-31g(d).smash.inp (generated)

000775405.b3lyp_6-31g(d).nwchem.inp (generated) 000775405.b3lyp_6-31g(d).log.xz 000775405.td-b3lyp_6-31g+(d).inp 000775405.td-b3lyp_6-31g+(d).log.xz

000775405.td-b3lyp_6-31+g(d).qchem.inp (generated)

000775405.td-b3lyp_6-31+g(d).gjf (generated)

000775405.td-b3lyp_6-31+g(d).firefly.inp (generated)

000775405.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000775405.mol 000775405.PUBCHEM 000775405.mol (via Jmol)
000775434.b3lyp_6-31g(d).inp

000775434.b3lyp_6-31g(d).qchem.inp (generated)

000775434.b3lyp_6-31g(d).gjf (generated)

000775434.b3lyp_6-31g(d).firefly.inp (generated)

000775434.b3lyp_6-31g(d).smash.inp (generated)

000775434.b3lyp_6-31g(d).nwchem.inp (generated) 000775434.b3lyp_6-31g(d).log.xz 000775434.td-b3lyp_6-31g+(d).inp 000775434.td-b3lyp_6-31g+(d).log.xz

000775434.td-b3lyp_6-31+g(d).qchem.inp (generated)

000775434.td-b3lyp_6-31+g(d).gjf (generated)

000775434.td-b3lyp_6-31+g(d).firefly.inp (generated)

000775434.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000775434.mol 000775434.PUBCHEM 000775434.mol (via Jmol)
000775435.b3lyp_6-31g(d).inp

000775435.b3lyp_6-31g(d).qchem.inp (generated)

000775435.b3lyp_6-31g(d).gjf (generated)

000775435.b3lyp_6-31g(d).firefly.inp (generated)

000775435.b3lyp_6-31g(d).smash.inp (generated)

000775435.b3lyp_6-31g(d).nwchem.inp (generated) 000775435.b3lyp_6-31g(d).log.xz 000775435.td-b3lyp_6-31g+(d).inp 000775435.td-b3lyp_6-31g+(d).log.xz

000775435.td-b3lyp_6-31+g(d).qchem.inp (generated)

000775435.td-b3lyp_6-31+g(d).gjf (generated)

000775435.td-b3lyp_6-31+g(d).firefly.inp (generated)

000775435.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000775435.mol 000775435.PUBCHEM 000775435.mol (via Jmol)
000775437.b3lyp_6-31g(d).inp

000775437.b3lyp_6-31g(d).qchem.inp (generated)

000775437.b3lyp_6-31g(d).gjf (generated)

000775437.b3lyp_6-31g(d).firefly.inp (generated)

000775437.b3lyp_6-31g(d).smash.inp (generated)

000775437.b3lyp_6-31g(d).nwchem.inp (generated) 000775437.b3lyp_6-31g(d).log.xz 000775437.td-b3lyp_6-31g+(d).inp 000775437.td-b3lyp_6-31g+(d).log.xz

000775437.td-b3lyp_6-31+g(d).qchem.inp (generated)

000775437.td-b3lyp_6-31+g(d).gjf (generated)

000775437.td-b3lyp_6-31+g(d).firefly.inp (generated)

000775437.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000775437.mol 000775437.PUBCHEM 000775437.mol (via Jmol)
000775450.b3lyp_6-31g(d).inp

000775450.b3lyp_6-31g(d).qchem.inp (generated)

000775450.b3lyp_6-31g(d).gjf (generated)

000775450.b3lyp_6-31g(d).firefly.inp (generated)

000775450.b3lyp_6-31g(d).smash.inp (generated)

000775450.b3lyp_6-31g(d).nwchem.inp (generated) 000775450.b3lyp_6-31g(d).log.xz 000775450.td-b3lyp_6-31g+(d).inp 000775450.td-b3lyp_6-31g+(d).log.xz

000775450.td-b3lyp_6-31+g(d).qchem.inp (generated)

000775450.td-b3lyp_6-31+g(d).gjf (generated)

000775450.td-b3lyp_6-31+g(d).firefly.inp (generated)

000775450.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000775450.mol 000775450.PUBCHEM 000775450.mol (via Jmol)
000775451.b3lyp_6-31g(d).inp

000775451.b3lyp_6-31g(d).qchem.inp (generated)

000775451.b3lyp_6-31g(d).gjf (generated)

000775451.b3lyp_6-31g(d).firefly.inp (generated)

000775451.b3lyp_6-31g(d).smash.inp (generated)

000775451.b3lyp_6-31g(d).nwchem.inp (generated) 000775451.b3lyp_6-31g(d).log.xz 000775451.td-b3lyp_6-31g+(d).inp 000775451.td-b3lyp_6-31g+(d).log.xz

000775451.td-b3lyp_6-31+g(d).qchem.inp (generated)

000775451.td-b3lyp_6-31+g(d).gjf (generated)

000775451.td-b3lyp_6-31+g(d).firefly.inp (generated)

000775451.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000775451.mol 000775451.PUBCHEM 000775451.mol (via Jmol)
000775464.b3lyp_6-31g(d).inp

000775464.b3lyp_6-31g(d).qchem.inp (generated)

000775464.b3lyp_6-31g(d).gjf (generated)

000775464.b3lyp_6-31g(d).firefly.inp (generated)

000775464.b3lyp_6-31g(d).smash.inp (generated)

000775464.b3lyp_6-31g(d).nwchem.inp (generated) 000775464.b3lyp_6-31g(d).log.xz 000775464.td-b3lyp_6-31g+(d).inp 000775464.td-b3lyp_6-31g+(d).log.xz

000775464.td-b3lyp_6-31+g(d).qchem.inp (generated)

000775464.td-b3lyp_6-31+g(d).gjf (generated)

000775464.td-b3lyp_6-31+g(d).firefly.inp (generated)

000775464.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000775464.mol 000775464.PUBCHEM 000775464.mol (via Jmol)
000775467.b3lyp_6-31g(d).inp

000775467.b3lyp_6-31g(d).qchem.inp (generated)

000775467.b3lyp_6-31g(d).gjf (generated)

000775467.b3lyp_6-31g(d).firefly.inp (generated)

000775467.b3lyp_6-31g(d).smash.inp (generated)

000775467.b3lyp_6-31g(d).nwchem.inp (generated) 000775467.b3lyp_6-31g(d).log.xz 000775467.td-b3lyp_6-31g+(d).inp 000775467.td-b3lyp_6-31g+(d).log.xz

000775467.td-b3lyp_6-31+g(d).qchem.inp (generated)

000775467.td-b3lyp_6-31+g(d).gjf (generated)

000775467.td-b3lyp_6-31+g(d).firefly.inp (generated)

000775467.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000775467.mol 000775467.PUBCHEM 000775467.mol (via Jmol)
000775468.b3lyp_6-31g(d).inp

000775468.b3lyp_6-31g(d).qchem.inp (generated)

000775468.b3lyp_6-31g(d).gjf (generated)

000775468.b3lyp_6-31g(d).firefly.inp (generated)

000775468.b3lyp_6-31g(d).smash.inp (generated)

000775468.b3lyp_6-31g(d).nwchem.inp (generated) 000775468.b3lyp_6-31g(d).log.xz 000775468.td-b3lyp_6-31g+(d).inp 000775468.td-b3lyp_6-31g+(d).log.xz

000775468.td-b3lyp_6-31+g(d).qchem.inp (generated)

000775468.td-b3lyp_6-31+g(d).gjf (generated)

000775468.td-b3lyp_6-31+g(d).firefly.inp (generated)

000775468.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000775468.mol 000775468.PUBCHEM 000775468.mol (via Jmol)
000775592.b3lyp_6-31g(d).inp

000775592.b3lyp_6-31g(d).qchem.inp (generated)

000775592.b3lyp_6-31g(d).gjf (generated)

000775592.b3lyp_6-31g(d).firefly.inp (generated)

000775592.b3lyp_6-31g(d).smash.inp (generated)

000775592.b3lyp_6-31g(d).nwchem.inp (generated) 000775592.b3lyp_6-31g(d).log.xz 000775592.mol 000775592.PUBCHEM 000775592.mol (via Jmol)
000775594.b3lyp_6-31g(d).inp

000775594.b3lyp_6-31g(d).qchem.inp (generated)

000775594.b3lyp_6-31g(d).gjf (generated)

000775594.b3lyp_6-31g(d).firefly.inp (generated)

000775594.b3lyp_6-31g(d).smash.inp (generated)

000775594.b3lyp_6-31g(d).nwchem.inp (generated) 000775594.b3lyp_6-31g(d).log.xz 000775594.td-b3lyp_6-31g+(d).inp 000775594.td-b3lyp_6-31g+(d).log.xz

000775594.td-b3lyp_6-31+g(d).qchem.inp (generated)

000775594.td-b3lyp_6-31+g(d).gjf (generated)

000775594.td-b3lyp_6-31+g(d).firefly.inp (generated)

000775594.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000775594.mol 000775594.PUBCHEM 000775594.mol (via Jmol)
000775596.b3lyp_6-31g(d).inp

000775596.b3lyp_6-31g(d).qchem.inp (generated)

000775596.b3lyp_6-31g(d).gjf (generated)

000775596.b3lyp_6-31g(d).firefly.inp (generated)

000775596.b3lyp_6-31g(d).smash.inp (generated)

000775596.b3lyp_6-31g(d).nwchem.inp (generated) 000775596.b3lyp_6-31g(d).log.xz 000775596.mol 000775596.PUBCHEM 000775596.mol (via Jmol)
000775636.b3lyp_6-31g(d).inp

000775636.b3lyp_6-31g(d).qchem.inp (generated)

000775636.b3lyp_6-31g(d).gjf (generated)

000775636.b3lyp_6-31g(d).firefly.inp (generated)

000775636.b3lyp_6-31g(d).smash.inp (generated)

000775636.b3lyp_6-31g(d).nwchem.inp (generated) 000775636.b3lyp_6-31g(d).log.xz 000775636.td-b3lyp_6-31g+(d).inp 000775636.td-b3lyp_6-31g+(d).log.xz

000775636.td-b3lyp_6-31+g(d).qchem.inp (generated)

000775636.td-b3lyp_6-31+g(d).gjf (generated)

000775636.td-b3lyp_6-31+g(d).firefly.inp (generated)

000775636.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000775636.mol 000775636.PUBCHEM 000775636.mol (via Jmol)
000775651.b3lyp_6-31g(d).inp

000775651.b3lyp_6-31g(d).qchem.inp (generated)

000775651.b3lyp_6-31g(d).gjf (generated)

000775651.b3lyp_6-31g(d).firefly.inp (generated)

000775651.b3lyp_6-31g(d).smash.inp (generated)

000775651.b3lyp_6-31g(d).nwchem.inp (generated) 000775651.b3lyp_6-31g(d).log.xz 000775651.td-b3lyp_6-31g+(d).inp 000775651.td-b3lyp_6-31g+(d).log.xz

000775651.td-b3lyp_6-31+g(d).qchem.inp (generated)

000775651.td-b3lyp_6-31+g(d).gjf (generated)

000775651.td-b3lyp_6-31+g(d).firefly.inp (generated)

000775651.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000775651.mol 000775651.PUBCHEM 000775651.mol (via Jmol)
000775654.b3lyp_6-31g(d).inp

000775654.b3lyp_6-31g(d).qchem.inp (generated)

000775654.b3lyp_6-31g(d).gjf (generated)

000775654.b3lyp_6-31g(d).firefly.inp (generated)

000775654.b3lyp_6-31g(d).smash.inp (generated)

000775654.b3lyp_6-31g(d).nwchem.inp (generated) 000775654.b3lyp_6-31g(d).log.xz 000775654.td-b3lyp_6-31g+(d).inp 000775654.td-b3lyp_6-31g+(d).log.xz

000775654.td-b3lyp_6-31+g(d).qchem.inp (generated)

000775654.td-b3lyp_6-31+g(d).gjf (generated)

000775654.td-b3lyp_6-31+g(d).firefly.inp (generated)

000775654.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000775654.mol 000775654.PUBCHEM 000775654.mol (via Jmol)
000775655.b3lyp_6-31g(d).inp

000775655.b3lyp_6-31g(d).qchem.inp (generated)

000775655.b3lyp_6-31g(d).gjf (generated)

000775655.b3lyp_6-31g(d).firefly.inp (generated)

000775655.b3lyp_6-31g(d).smash.inp (generated)

000775655.b3lyp_6-31g(d).nwchem.inp (generated) 000775655.b3lyp_6-31g(d).log.xz 000775655.mol 000775655.PUBCHEM 000775655.mol (via Jmol)
000775670.b3lyp_6-31g(d).inp

000775670.b3lyp_6-31g(d).qchem.inp (generated)

000775670.b3lyp_6-31g(d).gjf (generated)

000775670.b3lyp_6-31g(d).firefly.inp (generated)

000775670.b3lyp_6-31g(d).smash.inp (generated)

000775670.b3lyp_6-31g(d).nwchem.inp (generated) 000775670.b3lyp_6-31g(d).log.xz 000775670.td-b3lyp_6-31g+(d).inp 000775670.td-b3lyp_6-31g+(d).log.xz

000775670.td-b3lyp_6-31+g(d).qchem.inp (generated)

000775670.td-b3lyp_6-31+g(d).gjf (generated)

000775670.td-b3lyp_6-31+g(d).firefly.inp (generated)

000775670.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000775670.mol 000775670.PUBCHEM 000775670.mol (via Jmol)
000775677.b3lyp_6-31g(d).inp

000775677.b3lyp_6-31g(d).qchem.inp (generated)

000775677.b3lyp_6-31g(d).gjf (generated)

000775677.b3lyp_6-31g(d).firefly.inp (generated)

000775677.b3lyp_6-31g(d).smash.inp (generated)

000775677.b3lyp_6-31g(d).nwchem.inp (generated) 000775677.b3lyp_6-31g(d).log.xz 000775677.td-b3lyp_6-31g+(d).inp 000775677.td-b3lyp_6-31g+(d).log.xz

000775677.td-b3lyp_6-31+g(d).qchem.inp (generated)

000775677.td-b3lyp_6-31+g(d).gjf (generated)

000775677.td-b3lyp_6-31+g(d).firefly.inp (generated)

000775677.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000775677.mol 000775677.PUBCHEM 000775677.mol (via Jmol)
000775687.b3lyp_6-31g(d).inp

000775687.b3lyp_6-31g(d).qchem.inp (generated)

000775687.b3lyp_6-31g(d).gjf (generated)

000775687.b3lyp_6-31g(d).firefly.inp (generated)

000775687.b3lyp_6-31g(d).smash.inp (generated)

000775687.b3lyp_6-31g(d).nwchem.inp (generated) 000775687.b3lyp_6-31g(d).log.xz 000775687.td-b3lyp_6-31g+(d).inp 000775687.td-b3lyp_6-31g+(d).log.xz

000775687.td-b3lyp_6-31+g(d).qchem.inp (generated)

000775687.td-b3lyp_6-31+g(d).gjf (generated)

000775687.td-b3lyp_6-31+g(d).firefly.inp (generated)

000775687.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000775687.mol 000775687.PUBCHEM 000775687.mol (via Jmol)
000775688.b3lyp_6-31g(d).inp

000775688.b3lyp_6-31g(d).qchem.inp (generated)

000775688.b3lyp_6-31g(d).gjf (generated)

000775688.b3lyp_6-31g(d).firefly.inp (generated)

000775688.b3lyp_6-31g(d).smash.inp (generated)

000775688.b3lyp_6-31g(d).nwchem.inp (generated) 000775688.b3lyp_6-31g(d).log.xz 000775688.td-b3lyp_6-31g+(d).inp 000775688.td-b3lyp_6-31g+(d).log.xz

000775688.td-b3lyp_6-31+g(d).qchem.inp (generated)

000775688.td-b3lyp_6-31+g(d).gjf (generated)

000775688.td-b3lyp_6-31+g(d).firefly.inp (generated)

000775688.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000775688.mol 000775688.PUBCHEM 000775688.mol (via Jmol)
000775699.b3lyp_6-31g(d).inp

000775699.b3lyp_6-31g(d).qchem.inp (generated)

000775699.b3lyp_6-31g(d).gjf (generated)

000775699.b3lyp_6-31g(d).firefly.inp (generated)

000775699.b3lyp_6-31g(d).smash.inp (generated)

000775699.b3lyp_6-31g(d).nwchem.inp (generated) 000775699.b3lyp_6-31g(d).log.xz 000775699.td-b3lyp_6-31g+(d).inp 000775699.td-b3lyp_6-31g+(d).log.xz

000775699.td-b3lyp_6-31+g(d).qchem.inp (generated)

000775699.td-b3lyp_6-31+g(d).gjf (generated)

000775699.td-b3lyp_6-31+g(d).firefly.inp (generated)

000775699.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000775699.mol 000775699.PUBCHEM 000775699.mol (via Jmol)
000775704.b3lyp_6-31g(d).inp

000775704.b3lyp_6-31g(d).qchem.inp (generated)

000775704.b3lyp_6-31g(d).gjf (generated)

000775704.b3lyp_6-31g(d).firefly.inp (generated)

000775704.b3lyp_6-31g(d).smash.inp (generated)

000775704.b3lyp_6-31g(d).nwchem.inp (generated) 000775704.b3lyp_6-31g(d).log.xz 000775704.mol 000775704.PUBCHEM 000775704.mol (via Jmol)
000775705.b3lyp_6-31g(d).inp

000775705.b3lyp_6-31g(d).qchem.inp (generated)

000775705.b3lyp_6-31g(d).gjf (generated)

000775705.b3lyp_6-31g(d).firefly.inp (generated)

000775705.b3lyp_6-31g(d).smash.inp (generated)

000775705.b3lyp_6-31g(d).nwchem.inp (generated) 000775705.b3lyp_6-31g(d).log.xz 000775705.td-b3lyp_6-31g+(d).inp 000775705.td-b3lyp_6-31g+(d).log.xz

000775705.td-b3lyp_6-31+g(d).qchem.inp (generated)

000775705.td-b3lyp_6-31+g(d).gjf (generated)

000775705.td-b3lyp_6-31+g(d).firefly.inp (generated)

000775705.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000775705.mol 000775705.PUBCHEM 000775705.mol (via Jmol)
000775713.b3lyp_6-31g(d).inp

000775713.b3lyp_6-31g(d).qchem.inp (generated)

000775713.b3lyp_6-31g(d).gjf (generated)

000775713.b3lyp_6-31g(d).firefly.inp (generated)

000775713.b3lyp_6-31g(d).smash.inp (generated)

000775713.b3lyp_6-31g(d).nwchem.inp (generated) 000775713.b3lyp_6-31g(d).log.xz 000775713.td-b3lyp_6-31g+(d).inp 000775713.td-b3lyp_6-31g+(d).log.xz

000775713.td-b3lyp_6-31+g(d).qchem.inp (generated)

000775713.td-b3lyp_6-31+g(d).gjf (generated)

000775713.td-b3lyp_6-31+g(d).firefly.inp (generated)

000775713.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000775713.mol 000775713.PUBCHEM 000775713.mol (via Jmol)
000775715.b3lyp_6-31g(d).inp

000775715.b3lyp_6-31g(d).qchem.inp (generated)

000775715.b3lyp_6-31g(d).gjf (generated)

000775715.b3lyp_6-31g(d).firefly.inp (generated)

000775715.b3lyp_6-31g(d).smash.inp (generated)

000775715.b3lyp_6-31g(d).nwchem.inp (generated) 000775715.b3lyp_6-31g(d).log.xz 000775715.mol 000775715.PUBCHEM 000775715.mol (via Jmol)
000775750.b3lyp_6-31g(d).inp

000775750.b3lyp_6-31g(d).qchem.inp (generated)

000775750.b3lyp_6-31g(d).gjf (generated)

000775750.b3lyp_6-31g(d).firefly.inp (generated)

000775750.b3lyp_6-31g(d).smash.inp (generated)

000775750.b3lyp_6-31g(d).nwchem.inp (generated) 000775750.b3lyp_6-31g(d).log.xz 000775750.td-b3lyp_6-31g+(d).inp 000775750.td-b3lyp_6-31g+(d).log.xz

000775750.td-b3lyp_6-31+g(d).qchem.inp (generated)

000775750.td-b3lyp_6-31+g(d).gjf (generated)

000775750.td-b3lyp_6-31+g(d).firefly.inp (generated)

000775750.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000775750.mol 000775750.PUBCHEM 000775750.mol (via Jmol)
000775950.b3lyp_6-31g(d).inp

000775950.b3lyp_6-31g(d).qchem.inp (generated)

000775950.b3lyp_6-31g(d).gjf (generated)

000775950.b3lyp_6-31g(d).firefly.inp (generated)

000775950.b3lyp_6-31g(d).smash.inp (generated)

000775950.b3lyp_6-31g(d).nwchem.inp (generated) 000775950.b3lyp_6-31g(d).log.xz 000775950.td-b3lyp_6-31g+(d).inp 000775950.td-b3lyp_6-31g+(d).log.xz

000775950.td-b3lyp_6-31+g(d).qchem.inp (generated)

000775950.td-b3lyp_6-31+g(d).gjf (generated)

000775950.td-b3lyp_6-31+g(d).firefly.inp (generated)

000775950.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000775950.mol 000775950.PUBCHEM 000775950.mol (via Jmol)
000775980.b3lyp_6-31g(d).inp

000775980.b3lyp_6-31g(d).qchem.inp (generated)

000775980.b3lyp_6-31g(d).gjf (generated)

000775980.b3lyp_6-31g(d).firefly.inp (generated)

000775980.b3lyp_6-31g(d).smash.inp (generated)

000775980.b3lyp_6-31g(d).nwchem.inp (generated) 000775980.b3lyp_6-31g(d).log.xz 000775980.mol 000775980.PUBCHEM 000775980.mol (via Jmol)
000775997.b3lyp_6-31g(d).inp

000775997.b3lyp_6-31g(d).qchem.inp (generated)

000775997.b3lyp_6-31g(d).gjf (generated)

000775997.b3lyp_6-31g(d).firefly.inp (generated)

000775997.b3lyp_6-31g(d).smash.inp (generated)

000775997.b3lyp_6-31g(d).nwchem.inp (generated) 000775997.b3lyp_6-31g(d).log.xz 000775997.td-b3lyp_6-31g+(d).inp 000775997.td-b3lyp_6-31g+(d).log.xz

000775997.td-b3lyp_6-31+g(d).qchem.inp (generated)

000775997.td-b3lyp_6-31+g(d).gjf (generated)

000775997.td-b3lyp_6-31+g(d).firefly.inp (generated)

000775997.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000775997.mol 000775997.PUBCHEM 000775997.mol (via Jmol)
000775999.b3lyp_6-31g(d).inp

000775999.b3lyp_6-31g(d).qchem.inp (generated)

000775999.b3lyp_6-31g(d).gjf (generated)

000775999.b3lyp_6-31g(d).firefly.inp (generated)

000775999.b3lyp_6-31g(d).smash.inp (generated)

000775999.b3lyp_6-31g(d).nwchem.inp (generated) 000775999.b3lyp_6-31g(d).log.xz 000775999.td-b3lyp_6-31g+(d).inp 000775999.td-b3lyp_6-31g+(d).log.xz

000775999.td-b3lyp_6-31+g(d).qchem.inp (generated)

000775999.td-b3lyp_6-31+g(d).gjf (generated)

000775999.td-b3lyp_6-31+g(d).firefly.inp (generated)

000775999.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000775999.mol 000775999.PUBCHEM 000775999.mol (via Jmol)
000776000.b3lyp_6-31g(d).inp

000776000.b3lyp_6-31g(d).qchem.inp (generated)

000776000.b3lyp_6-31g(d).gjf (generated)

000776000.b3lyp_6-31g(d).firefly.inp (generated)

000776000.b3lyp_6-31g(d).smash.inp (generated)

000776000.b3lyp_6-31g(d).nwchem.inp (generated) 000776000.b3lyp_6-31g(d).log.xz 000776000.td-b3lyp_6-31g+(d).inp 000776000.td-b3lyp_6-31g+(d).log.xz

000776000.td-b3lyp_6-31+g(d).qchem.inp (generated)

000776000.td-b3lyp_6-31+g(d).gjf (generated)

000776000.td-b3lyp_6-31+g(d).firefly.inp (generated)

000776000.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000776000.mol 000776000.PUBCHEM 000776000.mol (via Jmol)
000776001.b3lyp_6-31g(d).inp

000776001.b3lyp_6-31g(d).qchem.inp (generated)

000776001.b3lyp_6-31g(d).gjf (generated)

000776001.b3lyp_6-31g(d).firefly.inp (generated)

000776001.b3lyp_6-31g(d).smash.inp (generated)

000776001.b3lyp_6-31g(d).nwchem.inp (generated) 000776001.b3lyp_6-31g(d).log.xz 000776001.td-b3lyp_6-31g+(d).inp 000776001.td-b3lyp_6-31g+(d).log.xz

000776001.td-b3lyp_6-31+g(d).qchem.inp (generated)

000776001.td-b3lyp_6-31+g(d).gjf (generated)

000776001.td-b3lyp_6-31+g(d).firefly.inp (generated)

000776001.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000776001.mol 000776001.PUBCHEM 000776001.mol (via Jmol)
000776052.b3lyp_6-31g(d).inp

000776052.b3lyp_6-31g(d).qchem.inp (generated)

000776052.b3lyp_6-31g(d).gjf (generated)

000776052.b3lyp_6-31g(d).firefly.inp (generated)

000776052.b3lyp_6-31g(d).smash.inp (generated)

000776052.b3lyp_6-31g(d).nwchem.inp (generated) 000776052.b3lyp_6-31g(d).log.xz 000776052.td-b3lyp_6-31g+(d).inp 000776052.td-b3lyp_6-31g+(d).log.xz

000776052.td-b3lyp_6-31+g(d).qchem.inp (generated)

000776052.td-b3lyp_6-31+g(d).gjf (generated)

000776052.td-b3lyp_6-31+g(d).firefly.inp (generated)

000776052.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000776052.mol 000776052.PUBCHEM 000776052.mol (via Jmol)
000776058.b3lyp_6-31g(d).inp

000776058.b3lyp_6-31g(d).qchem.inp (generated)

000776058.b3lyp_6-31g(d).gjf (generated)

000776058.b3lyp_6-31g(d).firefly.inp (generated)

000776058.b3lyp_6-31g(d).smash.inp (generated)

000776058.b3lyp_6-31g(d).nwchem.inp (generated) 000776058.b3lyp_6-31g(d).log.xz 000776058.td-b3lyp_6-31g+(d).inp 000776058.td-b3lyp_6-31g+(d).log.xz

000776058.td-b3lyp_6-31+g(d).qchem.inp (generated)

000776058.td-b3lyp_6-31+g(d).gjf (generated)

000776058.td-b3lyp_6-31+g(d).firefly.inp (generated)

000776058.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000776058.mol 000776058.PUBCHEM 000776058.mol (via Jmol)
000776072.b3lyp_6-31g(d).inp

000776072.b3lyp_6-31g(d).qchem.inp (generated)

000776072.b3lyp_6-31g(d).gjf (generated)

000776072.b3lyp_6-31g(d).firefly.inp (generated)

000776072.b3lyp_6-31g(d).smash.inp (generated)

000776072.b3lyp_6-31g(d).nwchem.inp (generated) 000776072.b3lyp_6-31g(d).log.xz 000776072.td-b3lyp_6-31g+(d).inp 000776072.td-b3lyp_6-31g+(d).log.xz

000776072.td-b3lyp_6-31+g(d).qchem.inp (generated)

000776072.td-b3lyp_6-31+g(d).gjf (generated)

000776072.td-b3lyp_6-31+g(d).firefly.inp (generated)

000776072.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000776072.mol 000776072.PUBCHEM 000776072.mol (via Jmol)
000776096.b3lyp_6-31g(d).inp

000776096.b3lyp_6-31g(d).qchem.inp (generated)

000776096.b3lyp_6-31g(d).gjf (generated)

000776096.b3lyp_6-31g(d).firefly.inp (generated)

000776096.b3lyp_6-31g(d).smash.inp (generated)

000776096.b3lyp_6-31g(d).nwchem.inp (generated) 000776096.b3lyp_6-31g(d).log.xz 000776096.td-b3lyp_6-31g+(d).inp 000776096.td-b3lyp_6-31g+(d).log.xz

000776096.td-b3lyp_6-31+g(d).qchem.inp (generated)

000776096.td-b3lyp_6-31+g(d).gjf (generated)

000776096.td-b3lyp_6-31+g(d).firefly.inp (generated)

000776096.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000776096.mol 000776096.PUBCHEM 000776096.mol (via Jmol)
000776097.b3lyp_6-31g(d).inp

000776097.b3lyp_6-31g(d).qchem.inp (generated)

000776097.b3lyp_6-31g(d).gjf (generated)

000776097.b3lyp_6-31g(d).firefly.inp (generated)

000776097.b3lyp_6-31g(d).smash.inp (generated)

000776097.b3lyp_6-31g(d).nwchem.inp (generated) 000776097.b3lyp_6-31g(d).log.xz 000776097.td-b3lyp_6-31g+(d).inp 000776097.td-b3lyp_6-31g+(d).log.xz

000776097.td-b3lyp_6-31+g(d).qchem.inp (generated)

000776097.td-b3lyp_6-31+g(d).gjf (generated)

000776097.td-b3lyp_6-31+g(d).firefly.inp (generated)

000776097.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000776097.mol 000776097.PUBCHEM 000776097.mol (via Jmol)
000776133.b3lyp_6-31g(d).inp

000776133.b3lyp_6-31g(d).qchem.inp (generated)

000776133.b3lyp_6-31g(d).gjf (generated)

000776133.b3lyp_6-31g(d).firefly.inp (generated)

000776133.b3lyp_6-31g(d).smash.inp (generated)

000776133.b3lyp_6-31g(d).nwchem.inp (generated) 000776133.b3lyp_6-31g(d).log.xz 000776133.td-b3lyp_6-31g+(d).inp 000776133.td-b3lyp_6-31g+(d).log.xz

000776133.td-b3lyp_6-31+g(d).qchem.inp (generated)

000776133.td-b3lyp_6-31+g(d).gjf (generated)

000776133.td-b3lyp_6-31+g(d).firefly.inp (generated)

000776133.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000776133.mol 000776133.PUBCHEM 000776133.mol (via Jmol)
000776139.b3lyp_6-31g(d).inp

000776139.b3lyp_6-31g(d).qchem.inp (generated)

000776139.b3lyp_6-31g(d).gjf (generated)

000776139.b3lyp_6-31g(d).firefly.inp (generated)

000776139.b3lyp_6-31g(d).smash.inp (generated)

000776139.b3lyp_6-31g(d).nwchem.inp (generated) 000776139.b3lyp_6-31g(d).log.xz 000776139.td-b3lyp_6-31g+(d).inp 000776139.td-b3lyp_6-31g+(d).log.xz

000776139.td-b3lyp_6-31+g(d).qchem.inp (generated)

000776139.td-b3lyp_6-31+g(d).gjf (generated)

000776139.td-b3lyp_6-31+g(d).firefly.inp (generated)

000776139.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000776139.mol 000776139.PUBCHEM 000776139.mol (via Jmol)
000776143.b3lyp_6-31g(d).inp

000776143.b3lyp_6-31g(d).qchem.inp (generated)

000776143.b3lyp_6-31g(d).gjf (generated)

000776143.b3lyp_6-31g(d).firefly.inp (generated)

000776143.b3lyp_6-31g(d).smash.inp (generated)

000776143.b3lyp_6-31g(d).nwchem.inp (generated) 000776143.b3lyp_6-31g(d).log.xz 000776143.td-b3lyp_6-31g+(d).inp 000776143.td-b3lyp_6-31g+(d).log.xz

000776143.td-b3lyp_6-31+g(d).qchem.inp (generated)

000776143.td-b3lyp_6-31+g(d).gjf (generated)

000776143.td-b3lyp_6-31+g(d).firefly.inp (generated)

000776143.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000776143.mol 000776143.PUBCHEM 000776143.mol (via Jmol)
000776144.b3lyp_6-31g(d).inp

000776144.b3lyp_6-31g(d).qchem.inp (generated)

000776144.b3lyp_6-31g(d).gjf (generated)

000776144.b3lyp_6-31g(d).firefly.inp (generated)

000776144.b3lyp_6-31g(d).smash.inp (generated)

000776144.b3lyp_6-31g(d).nwchem.inp (generated) 000776144.b3lyp_6-31g(d).log.xz 000776144.td-b3lyp_6-31g+(d).inp 000776144.td-b3lyp_6-31g+(d).log.xz

000776144.td-b3lyp_6-31+g(d).qchem.inp (generated)

000776144.td-b3lyp_6-31+g(d).gjf (generated)

000776144.td-b3lyp_6-31+g(d).firefly.inp (generated)

000776144.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000776144.mol 000776144.PUBCHEM 000776144.mol (via Jmol)
000776145.b3lyp_6-31g(d).inp

000776145.b3lyp_6-31g(d).qchem.inp (generated)

000776145.b3lyp_6-31g(d).gjf (generated)

000776145.b3lyp_6-31g(d).firefly.inp (generated)

000776145.b3lyp_6-31g(d).smash.inp (generated)

000776145.b3lyp_6-31g(d).nwchem.inp (generated) 000776145.b3lyp_6-31g(d).log.xz 000776145.td-b3lyp_6-31g+(d).inp 000776145.td-b3lyp_6-31g+(d).log.xz

000776145.td-b3lyp_6-31+g(d).qchem.inp (generated)

000776145.td-b3lyp_6-31+g(d).gjf (generated)

000776145.td-b3lyp_6-31+g(d).firefly.inp (generated)

000776145.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000776145.mol 000776145.PUBCHEM 000776145.mol (via Jmol)
000776146.b3lyp_6-31g(d).inp

000776146.b3lyp_6-31g(d).qchem.inp (generated)

000776146.b3lyp_6-31g(d).gjf (generated)

000776146.b3lyp_6-31g(d).firefly.inp (generated)

000776146.b3lyp_6-31g(d).smash.inp (generated)

000776146.b3lyp_6-31g(d).nwchem.inp (generated) 000776146.b3lyp_6-31g(d).log.xz 000776146.td-b3lyp_6-31g+(d).inp 000776146.td-b3lyp_6-31g+(d).log.xz

000776146.td-b3lyp_6-31+g(d).qchem.inp (generated)

000776146.td-b3lyp_6-31+g(d).gjf (generated)

000776146.td-b3lyp_6-31+g(d).firefly.inp (generated)

000776146.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000776146.mol 000776146.PUBCHEM 000776146.mol (via Jmol)
000776162.b3lyp_6-31g(d).inp

000776162.b3lyp_6-31g(d).qchem.inp (generated)

000776162.b3lyp_6-31g(d).gjf (generated)

000776162.b3lyp_6-31g(d).firefly.inp (generated)

000776162.b3lyp_6-31g(d).smash.inp (generated)

000776162.b3lyp_6-31g(d).nwchem.inp (generated) 000776162.b3lyp_6-31g(d).log.xz 000776162.td-b3lyp_6-31g+(d).inp 000776162.td-b3lyp_6-31g+(d).log.xz

000776162.td-b3lyp_6-31+g(d).qchem.inp (generated)

000776162.td-b3lyp_6-31+g(d).gjf (generated)

000776162.td-b3lyp_6-31+g(d).firefly.inp (generated)

000776162.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000776162.mol 000776162.PUBCHEM 000776162.mol (via Jmol)
000776184.b3lyp_6-31g(d).inp

000776184.b3lyp_6-31g(d).qchem.inp (generated)

000776184.b3lyp_6-31g(d).gjf (generated)

000776184.b3lyp_6-31g(d).firefly.inp (generated)

000776184.b3lyp_6-31g(d).smash.inp (generated)

000776184.b3lyp_6-31g(d).nwchem.inp (generated) 000776184.b3lyp_6-31g(d).log.xz 000776184.td-b3lyp_6-31g+(d).inp 000776184.td-b3lyp_6-31g+(d).log.xz

000776184.td-b3lyp_6-31+g(d).qchem.inp (generated)

000776184.td-b3lyp_6-31+g(d).gjf (generated)

000776184.td-b3lyp_6-31+g(d).firefly.inp (generated)

000776184.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000776184.mol 000776184.PUBCHEM 000776184.mol (via Jmol)
000776203.b3lyp_6-31g(d).inp

000776203.b3lyp_6-31g(d).qchem.inp (generated)

000776203.b3lyp_6-31g(d).gjf (generated)

000776203.b3lyp_6-31g(d).firefly.inp (generated)

000776203.b3lyp_6-31g(d).smash.inp (generated)

000776203.b3lyp_6-31g(d).nwchem.inp (generated) 000776203.b3lyp_6-31g(d).log.xz 000776203.td-b3lyp_6-31g+(d).inp 000776203.td-b3lyp_6-31g+(d).log.xz

000776203.td-b3lyp_6-31+g(d).qchem.inp (generated)

000776203.td-b3lyp_6-31+g(d).gjf (generated)

000776203.td-b3lyp_6-31+g(d).firefly.inp (generated)

000776203.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000776203.mol 000776203.PUBCHEM 000776203.mol (via Jmol)
000776222.b3lyp_6-31g(d).inp

000776222.b3lyp_6-31g(d).qchem.inp (generated)

000776222.b3lyp_6-31g(d).gjf (generated)

000776222.b3lyp_6-31g(d).firefly.inp (generated)

000776222.b3lyp_6-31g(d).smash.inp (generated)

000776222.b3lyp_6-31g(d).nwchem.inp (generated) 000776222.b3lyp_6-31g(d).log.xz 000776222.td-b3lyp_6-31g+(d).inp 000776222.td-b3lyp_6-31g+(d).log.xz

000776222.td-b3lyp_6-31+g(d).qchem.inp (generated)

000776222.td-b3lyp_6-31+g(d).gjf (generated)

000776222.td-b3lyp_6-31+g(d).firefly.inp (generated)

000776222.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000776222.mol 000776222.PUBCHEM 000776222.mol (via Jmol)
000776235.b3lyp_6-31g(d).inp

000776235.b3lyp_6-31g(d).qchem.inp (generated)

000776235.b3lyp_6-31g(d).gjf (generated)

000776235.b3lyp_6-31g(d).firefly.inp (generated)

000776235.b3lyp_6-31g(d).smash.inp (generated)

000776235.b3lyp_6-31g(d).nwchem.inp (generated) 000776235.b3lyp_6-31g(d).log.xz 000776235.td-b3lyp_6-31g+(d).inp 000776235.td-b3lyp_6-31g+(d).log.xz

000776235.td-b3lyp_6-31+g(d).qchem.inp (generated)

000776235.td-b3lyp_6-31+g(d).gjf (generated)

000776235.td-b3lyp_6-31+g(d).firefly.inp (generated)

000776235.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000776235.mol 000776235.PUBCHEM 000776235.mol (via Jmol)
000776246.b3lyp_6-31g(d).inp

000776246.b3lyp_6-31g(d).qchem.inp (generated)

000776246.b3lyp_6-31g(d).gjf (generated)

000776246.b3lyp_6-31g(d).firefly.inp (generated)

000776246.b3lyp_6-31g(d).smash.inp (generated)

000776246.b3lyp_6-31g(d).nwchem.inp (generated) 000776246.b3lyp_6-31g(d).log.xz 000776246.mol 000776246.PUBCHEM 000776246.mol (via Jmol)
000776251.b3lyp_6-31g(d).inp

000776251.b3lyp_6-31g(d).qchem.inp (generated)

000776251.b3lyp_6-31g(d).gjf (generated)

000776251.b3lyp_6-31g(d).firefly.inp (generated)

000776251.b3lyp_6-31g(d).smash.inp (generated)

000776251.b3lyp_6-31g(d).nwchem.inp (generated) 000776251.b3lyp_6-31g(d).log.xz 000776251.td-b3lyp_6-31g+(d).inp 000776251.td-b3lyp_6-31g+(d).log.xz

000776251.td-b3lyp_6-31+g(d).qchem.inp (generated)

000776251.td-b3lyp_6-31+g(d).gjf (generated)

000776251.td-b3lyp_6-31+g(d).firefly.inp (generated)

000776251.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000776251.mol 000776251.PUBCHEM 000776251.mol (via Jmol)
000776254.b3lyp_6-31g(d).inp

000776254.b3lyp_6-31g(d).qchem.inp (generated)

000776254.b3lyp_6-31g(d).gjf (generated)

000776254.b3lyp_6-31g(d).firefly.inp (generated)

000776254.b3lyp_6-31g(d).smash.inp (generated)

000776254.b3lyp_6-31g(d).nwchem.inp (generated) 000776254.b3lyp_6-31g(d).log.xz 000776254.td-b3lyp_6-31g+(d).inp 000776254.td-b3lyp_6-31g+(d).log.xz

000776254.td-b3lyp_6-31+g(d).qchem.inp (generated)

000776254.td-b3lyp_6-31+g(d).gjf (generated)

000776254.td-b3lyp_6-31+g(d).firefly.inp (generated)

000776254.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000776254.mol 000776254.PUBCHEM 000776254.mol (via Jmol)
000776255.b3lyp_6-31g(d).inp

000776255.b3lyp_6-31g(d).qchem.inp (generated)

000776255.b3lyp_6-31g(d).gjf (generated)

000776255.b3lyp_6-31g(d).firefly.inp (generated)

000776255.b3lyp_6-31g(d).smash.inp (generated)

000776255.b3lyp_6-31g(d).nwchem.inp (generated) 000776255.b3lyp_6-31g(d).log.xz 000776255.td-b3lyp_6-31g+(d).inp 000776255.td-b3lyp_6-31g+(d).log.xz

000776255.td-b3lyp_6-31+g(d).qchem.inp (generated)

000776255.td-b3lyp_6-31+g(d).gjf (generated)

000776255.td-b3lyp_6-31+g(d).firefly.inp (generated)

000776255.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000776255.mol 000776255.PUBCHEM 000776255.mol (via Jmol)
000776315.b3lyp_6-31g(d).inp

000776315.b3lyp_6-31g(d).qchem.inp (generated)

000776315.b3lyp_6-31g(d).gjf (generated)

000776315.b3lyp_6-31g(d).firefly.inp (generated)

000776315.b3lyp_6-31g(d).smash.inp (generated)

000776315.b3lyp_6-31g(d).nwchem.inp (generated) 000776315.b3lyp_6-31g(d).log.xz 000776315.td-b3lyp_6-31g+(d).inp 000776315.td-b3lyp_6-31g+(d).log.xz

000776315.td-b3lyp_6-31+g(d).qchem.inp (generated)

000776315.td-b3lyp_6-31+g(d).gjf (generated)

000776315.td-b3lyp_6-31+g(d).firefly.inp (generated)

000776315.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000776315.mol 000776315.PUBCHEM 000776315.mol (via Jmol)
000776321.b3lyp_6-31g(d).inp

000776321.b3lyp_6-31g(d).qchem.inp (generated)

000776321.b3lyp_6-31g(d).gjf (generated)

000776321.b3lyp_6-31g(d).firefly.inp (generated)

000776321.b3lyp_6-31g(d).smash.inp (generated)

000776321.b3lyp_6-31g(d).nwchem.inp (generated) 000776321.b3lyp_6-31g(d).log.xz 000776321.td-b3lyp_6-31g+(d).inp 000776321.td-b3lyp_6-31g+(d).log.xz

000776321.td-b3lyp_6-31+g(d).qchem.inp (generated)

000776321.td-b3lyp_6-31+g(d).gjf (generated)

000776321.td-b3lyp_6-31+g(d).firefly.inp (generated)

000776321.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000776321.mol 000776321.PUBCHEM 000776321.mol (via Jmol)
000776327.b3lyp_6-31g(d).inp

000776327.b3lyp_6-31g(d).qchem.inp (generated)

000776327.b3lyp_6-31g(d).gjf (generated)

000776327.b3lyp_6-31g(d).firefly.inp (generated)

000776327.b3lyp_6-31g(d).smash.inp (generated)

000776327.b3lyp_6-31g(d).nwchem.inp (generated) 000776327.b3lyp_6-31g(d).log.xz 000776327.td-b3lyp_6-31g+(d).inp 000776327.td-b3lyp_6-31g+(d).log.xz

000776327.td-b3lyp_6-31+g(d).qchem.inp (generated)

000776327.td-b3lyp_6-31+g(d).gjf (generated)

000776327.td-b3lyp_6-31+g(d).firefly.inp (generated)

000776327.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000776327.mol 000776327.PUBCHEM 000776327.mol (via Jmol)
000776333.b3lyp_6-31g(d).inp

000776333.b3lyp_6-31g(d).qchem.inp (generated)

000776333.b3lyp_6-31g(d).gjf (generated)

000776333.b3lyp_6-31g(d).firefly.inp (generated)

000776333.b3lyp_6-31g(d).smash.inp (generated)

000776333.b3lyp_6-31g(d).nwchem.inp (generated) 000776333.b3lyp_6-31g(d).log.xz 000776333.mol 000776333.PUBCHEM 000776333.mol (via Jmol)
000776367.b3lyp_6-31g(d).inp

000776367.b3lyp_6-31g(d).qchem.inp (generated)

000776367.b3lyp_6-31g(d).gjf (generated)

000776367.b3lyp_6-31g(d).firefly.inp (generated)

000776367.b3lyp_6-31g(d).smash.inp (generated)

000776367.b3lyp_6-31g(d).nwchem.inp (generated) 000776367.b3lyp_6-31g(d).log.xz 000776367.td-b3lyp_6-31g+(d).inp 000776367.td-b3lyp_6-31g+(d).log.xz

000776367.td-b3lyp_6-31+g(d).qchem.inp (generated)

000776367.td-b3lyp_6-31+g(d).gjf (generated)

000776367.td-b3lyp_6-31+g(d).firefly.inp (generated)

000776367.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000776367.mol 000776367.PUBCHEM 000776367.mol (via Jmol)
000776369.b3lyp_6-31g(d).inp

000776369.b3lyp_6-31g(d).qchem.inp (generated)

000776369.b3lyp_6-31g(d).gjf (generated)

000776369.b3lyp_6-31g(d).firefly.inp (generated)

000776369.b3lyp_6-31g(d).smash.inp (generated)

000776369.b3lyp_6-31g(d).nwchem.inp (generated) 000776369.b3lyp_6-31g(d).log.xz 000776369.td-b3lyp_6-31g+(d).inp 000776369.td-b3lyp_6-31g+(d).log.xz

000776369.td-b3lyp_6-31+g(d).qchem.inp (generated)

000776369.td-b3lyp_6-31+g(d).gjf (generated)

000776369.td-b3lyp_6-31+g(d).firefly.inp (generated)

000776369.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000776369.mol 000776369.PUBCHEM 000776369.mol (via Jmol)
000776371.b3lyp_6-31g(d).inp

000776371.b3lyp_6-31g(d).qchem.inp (generated)

000776371.b3lyp_6-31g(d).gjf (generated)

000776371.b3lyp_6-31g(d).firefly.inp (generated)

000776371.b3lyp_6-31g(d).smash.inp (generated)

000776371.b3lyp_6-31g(d).nwchem.inp (generated) 000776371.b3lyp_6-31g(d).log.xz 000776371.td-b3lyp_6-31g+(d).inp 000776371.td-b3lyp_6-31g+(d).log.xz

000776371.td-b3lyp_6-31+g(d).qchem.inp (generated)

000776371.td-b3lyp_6-31+g(d).gjf (generated)

000776371.td-b3lyp_6-31+g(d).firefly.inp (generated)

000776371.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000776371.mol 000776371.PUBCHEM 000776371.mol (via Jmol)
000776373.b3lyp_6-31g(d).inp

000776373.b3lyp_6-31g(d).qchem.inp (generated)

000776373.b3lyp_6-31g(d).gjf (generated)

000776373.b3lyp_6-31g(d).firefly.inp (generated)

000776373.b3lyp_6-31g(d).smash.inp (generated)

000776373.b3lyp_6-31g(d).nwchem.inp (generated) 000776373.b3lyp_6-31g(d).log.xz 000776373.td-b3lyp_6-31g+(d).inp 000776373.td-b3lyp_6-31g+(d).log.xz

000776373.td-b3lyp_6-31+g(d).qchem.inp (generated)

000776373.td-b3lyp_6-31+g(d).gjf (generated)

000776373.td-b3lyp_6-31+g(d).firefly.inp (generated)

000776373.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000776373.mol 000776373.PUBCHEM 000776373.mol (via Jmol)
000776375.b3lyp_6-31g(d).inp

000776375.b3lyp_6-31g(d).qchem.inp (generated)

000776375.b3lyp_6-31g(d).gjf (generated)

000776375.b3lyp_6-31g(d).firefly.inp (generated)

000776375.b3lyp_6-31g(d).smash.inp (generated)

000776375.b3lyp_6-31g(d).nwchem.inp (generated) 000776375.b3lyp_6-31g(d).log.xz 000776375.td-b3lyp_6-31g+(d).inp 000776375.td-b3lyp_6-31g+(d).log.xz

000776375.td-b3lyp_6-31+g(d).qchem.inp (generated)

000776375.td-b3lyp_6-31+g(d).gjf (generated)

000776375.td-b3lyp_6-31+g(d).firefly.inp (generated)

000776375.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000776375.mol 000776375.PUBCHEM 000776375.mol (via Jmol)
000776385.b3lyp_6-31g(d).inp

000776385.b3lyp_6-31g(d).qchem.inp (generated)

000776385.b3lyp_6-31g(d).gjf (generated)

000776385.b3lyp_6-31g(d).firefly.inp (generated)

000776385.b3lyp_6-31g(d).smash.inp (generated)

000776385.b3lyp_6-31g(d).nwchem.inp (generated) 000776385.b3lyp_6-31g(d).log.xz 000776385.td-b3lyp_6-31g+(d).inp 000776385.td-b3lyp_6-31g+(d).log.xz

000776385.td-b3lyp_6-31+g(d).qchem.inp (generated)

000776385.td-b3lyp_6-31+g(d).gjf (generated)

000776385.td-b3lyp_6-31+g(d).firefly.inp (generated)

000776385.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000776385.mol 000776385.PUBCHEM 000776385.mol (via Jmol)
000776396.b3lyp_6-31g(d).inp

000776396.b3lyp_6-31g(d).qchem.inp (generated)

000776396.b3lyp_6-31g(d).gjf (generated)

000776396.b3lyp_6-31g(d).firefly.inp (generated)

000776396.b3lyp_6-31g(d).smash.inp (generated)

000776396.b3lyp_6-31g(d).nwchem.inp (generated) 000776396.b3lyp_6-31g(d).log.xz 000776396.td-b3lyp_6-31g+(d).inp 000776396.td-b3lyp_6-31g+(d).log.xz

000776396.td-b3lyp_6-31+g(d).qchem.inp (generated)

000776396.td-b3lyp_6-31+g(d).gjf (generated)

000776396.td-b3lyp_6-31+g(d).firefly.inp (generated)

000776396.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000776396.mol 000776396.PUBCHEM 000776396.mol (via Jmol)
000776399.b3lyp_6-31g(d).inp

000776399.b3lyp_6-31g(d).qchem.inp (generated)

000776399.b3lyp_6-31g(d).gjf (generated)

000776399.b3lyp_6-31g(d).firefly.inp (generated)

000776399.b3lyp_6-31g(d).smash.inp (generated)

000776399.b3lyp_6-31g(d).nwchem.inp (generated) 000776399.b3lyp_6-31g(d).log.xz 000776399.td-b3lyp_6-31g+(d).inp 000776399.td-b3lyp_6-31g+(d).log.xz

000776399.td-b3lyp_6-31+g(d).qchem.inp (generated)

000776399.td-b3lyp_6-31+g(d).gjf (generated)

000776399.td-b3lyp_6-31+g(d).firefly.inp (generated)

000776399.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000776399.mol 000776399.PUBCHEM 000776399.mol (via Jmol)
000776411.b3lyp_6-31g(d).inp

000776411.b3lyp_6-31g(d).qchem.inp (generated)

000776411.b3lyp_6-31g(d).gjf (generated)

000776411.b3lyp_6-31g(d).firefly.inp (generated)

000776411.b3lyp_6-31g(d).smash.inp (generated)

000776411.b3lyp_6-31g(d).nwchem.inp (generated) 000776411.b3lyp_6-31g(d).log.xz 000776411.td-b3lyp_6-31g+(d).inp 000776411.td-b3lyp_6-31g+(d).log.xz

000776411.td-b3lyp_6-31+g(d).qchem.inp (generated)

000776411.td-b3lyp_6-31+g(d).gjf (generated)

000776411.td-b3lyp_6-31+g(d).firefly.inp (generated)

000776411.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000776411.mol 000776411.PUBCHEM 000776411.mol (via Jmol)
000776413.b3lyp_6-31g(d).inp

000776413.b3lyp_6-31g(d).qchem.inp (generated)

000776413.b3lyp_6-31g(d).gjf (generated)

000776413.b3lyp_6-31g(d).firefly.inp (generated)

000776413.b3lyp_6-31g(d).smash.inp (generated)

000776413.b3lyp_6-31g(d).nwchem.inp (generated) 000776413.b3lyp_6-31g(d).log.xz 000776413.td-b3lyp_6-31g+(d).inp 000776413.td-b3lyp_6-31g+(d).log.xz

000776413.td-b3lyp_6-31+g(d).qchem.inp (generated)

000776413.td-b3lyp_6-31+g(d).gjf (generated)

000776413.td-b3lyp_6-31+g(d).firefly.inp (generated)

000776413.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000776413.mol 000776413.PUBCHEM 000776413.mol (via Jmol)
000776414.b3lyp_6-31g(d).inp

000776414.b3lyp_6-31g(d).qchem.inp (generated)

000776414.b3lyp_6-31g(d).gjf (generated)

000776414.b3lyp_6-31g(d).firefly.inp (generated)

000776414.b3lyp_6-31g(d).smash.inp (generated)

000776414.b3lyp_6-31g(d).nwchem.inp (generated) 000776414.b3lyp_6-31g(d).log.xz 000776414.td-b3lyp_6-31g+(d).inp 000776414.td-b3lyp_6-31g+(d).log.xz

000776414.td-b3lyp_6-31+g(d).qchem.inp (generated)

000776414.td-b3lyp_6-31+g(d).gjf (generated)

000776414.td-b3lyp_6-31+g(d).firefly.inp (generated)

000776414.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000776414.mol 000776414.PUBCHEM 000776414.mol (via Jmol)
000776416.b3lyp_6-31g(d).inp

000776416.b3lyp_6-31g(d).qchem.inp (generated)

000776416.b3lyp_6-31g(d).gjf (generated)

000776416.b3lyp_6-31g(d).firefly.inp (generated)

000776416.b3lyp_6-31g(d).smash.inp (generated)

000776416.b3lyp_6-31g(d).nwchem.inp (generated) 000776416.b3lyp_6-31g(d).log.xz 000776416.td-b3lyp_6-31g+(d).inp 000776416.td-b3lyp_6-31g+(d).log.xz

000776416.td-b3lyp_6-31+g(d).qchem.inp (generated)

000776416.td-b3lyp_6-31+g(d).gjf (generated)

000776416.td-b3lyp_6-31+g(d).firefly.inp (generated)

000776416.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000776416.mol 000776416.PUBCHEM 000776416.mol (via Jmol)
000776418.b3lyp_6-31g(d).inp

000776418.b3lyp_6-31g(d).qchem.inp (generated)

000776418.b3lyp_6-31g(d).gjf (generated)

000776418.b3lyp_6-31g(d).firefly.inp (generated)

000776418.b3lyp_6-31g(d).smash.inp (generated)

000776418.b3lyp_6-31g(d).nwchem.inp (generated) 000776418.b3lyp_6-31g(d).log.xz 000776418.td-b3lyp_6-31g+(d).inp 000776418.td-b3lyp_6-31g+(d).log.xz

000776418.td-b3lyp_6-31+g(d).qchem.inp (generated)

000776418.td-b3lyp_6-31+g(d).gjf (generated)

000776418.td-b3lyp_6-31+g(d).firefly.inp (generated)

000776418.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000776418.mol 000776418.PUBCHEM 000776418.mol (via Jmol)
000776421.b3lyp_6-31g(d).inp

000776421.b3lyp_6-31g(d).qchem.inp (generated)

000776421.b3lyp_6-31g(d).gjf (generated)

000776421.b3lyp_6-31g(d).firefly.inp (generated)

000776421.b3lyp_6-31g(d).smash.inp (generated)

000776421.b3lyp_6-31g(d).nwchem.inp (generated) 000776421.b3lyp_6-31g(d).log.xz 000776421.td-b3lyp_6-31g+(d).inp 000776421.td-b3lyp_6-31g+(d).log.xz

000776421.td-b3lyp_6-31+g(d).qchem.inp (generated)

000776421.td-b3lyp_6-31+g(d).gjf (generated)

000776421.td-b3lyp_6-31+g(d).firefly.inp (generated)

000776421.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000776421.mol 000776421.PUBCHEM 000776421.mol (via Jmol)
000776432.b3lyp_6-31g(d).inp

000776432.b3lyp_6-31g(d).qchem.inp (generated)

000776432.b3lyp_6-31g(d).gjf (generated)

000776432.b3lyp_6-31g(d).firefly.inp (generated)

000776432.b3lyp_6-31g(d).smash.inp (generated)

000776432.b3lyp_6-31g(d).nwchem.inp (generated) 000776432.b3lyp_6-31g(d).log.xz 000776432.td-b3lyp_6-31g+(d).inp 000776432.td-b3lyp_6-31g+(d).log.xz

000776432.td-b3lyp_6-31+g(d).qchem.inp (generated)

000776432.td-b3lyp_6-31+g(d).gjf (generated)

000776432.td-b3lyp_6-31+g(d).firefly.inp (generated)

000776432.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000776432.mol 000776432.PUBCHEM 000776432.mol (via Jmol)
000776436.b3lyp_6-31g(d).inp

000776436.b3lyp_6-31g(d).qchem.inp (generated)

000776436.b3lyp_6-31g(d).gjf (generated)

000776436.b3lyp_6-31g(d).firefly.inp (generated)

000776436.b3lyp_6-31g(d).smash.inp (generated)

000776436.b3lyp_6-31g(d).nwchem.inp (generated) 000776436.b3lyp_6-31g(d).log.xz 000776436.td-b3lyp_6-31g+(d).inp 000776436.td-b3lyp_6-31g+(d).log.xz

000776436.td-b3lyp_6-31+g(d).qchem.inp (generated)

000776436.td-b3lyp_6-31+g(d).gjf (generated)

000776436.td-b3lyp_6-31+g(d).firefly.inp (generated)

000776436.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000776436.mol 000776436.PUBCHEM 000776436.mol (via Jmol)
000776442.b3lyp_6-31g(d).inp

000776442.b3lyp_6-31g(d).qchem.inp (generated)

000776442.b3lyp_6-31g(d).gjf (generated)

000776442.b3lyp_6-31g(d).firefly.inp (generated)

000776442.b3lyp_6-31g(d).smash.inp (generated)

000776442.b3lyp_6-31g(d).nwchem.inp (generated) 000776442.b3lyp_6-31g(d).log.xz 000776442.td-b3lyp_6-31g+(d).inp 000776442.td-b3lyp_6-31g+(d).log.xz

000776442.td-b3lyp_6-31+g(d).qchem.inp (generated)

000776442.td-b3lyp_6-31+g(d).gjf (generated)

000776442.td-b3lyp_6-31+g(d).firefly.inp (generated)

000776442.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000776442.mol 000776442.PUBCHEM 000776442.mol (via Jmol)
000776451.b3lyp_6-31g(d).inp

000776451.b3lyp_6-31g(d).qchem.inp (generated)

000776451.b3lyp_6-31g(d).gjf (generated)

000776451.b3lyp_6-31g(d).firefly.inp (generated)

000776451.b3lyp_6-31g(d).smash.inp (generated)

000776451.b3lyp_6-31g(d).nwchem.inp (generated) 000776451.b3lyp_6-31g(d).log.xz 000776451.td-b3lyp_6-31g+(d).inp 000776451.td-b3lyp_6-31g+(d).log.xz

000776451.td-b3lyp_6-31+g(d).qchem.inp (generated)

000776451.td-b3lyp_6-31+g(d).gjf (generated)

000776451.td-b3lyp_6-31+g(d).firefly.inp (generated)

000776451.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000776451.mol 000776451.PUBCHEM 000776451.mol (via Jmol)
000776452.b3lyp_6-31g(d).inp

000776452.b3lyp_6-31g(d).qchem.inp (generated)

000776452.b3lyp_6-31g(d).gjf (generated)

000776452.b3lyp_6-31g(d).firefly.inp (generated)

000776452.b3lyp_6-31g(d).smash.inp (generated)

000776452.b3lyp_6-31g(d).nwchem.inp (generated) 000776452.b3lyp_6-31g(d).log.xz 000776452.td-b3lyp_6-31g+(d).inp 000776452.td-b3lyp_6-31g+(d).log.xz

000776452.td-b3lyp_6-31+g(d).qchem.inp (generated)

000776452.td-b3lyp_6-31+g(d).gjf (generated)

000776452.td-b3lyp_6-31+g(d).firefly.inp (generated)

000776452.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000776452.mol 000776452.PUBCHEM 000776452.mol (via Jmol)
000776453.b3lyp_6-31g(d).inp

000776453.b3lyp_6-31g(d).qchem.inp (generated)

000776453.b3lyp_6-31g(d).gjf (generated)

000776453.b3lyp_6-31g(d).firefly.inp (generated)

000776453.b3lyp_6-31g(d).smash.inp (generated)

000776453.b3lyp_6-31g(d).nwchem.inp (generated) 000776453.b3lyp_6-31g(d).log.xz 000776453.td-b3lyp_6-31g+(d).inp 000776453.td-b3lyp_6-31g+(d).log.xz

000776453.td-b3lyp_6-31+g(d).qchem.inp (generated)

000776453.td-b3lyp_6-31+g(d).gjf (generated)

000776453.td-b3lyp_6-31+g(d).firefly.inp (generated)

000776453.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000776453.mol 000776453.PUBCHEM 000776453.mol (via Jmol)
000776454.b3lyp_6-31g(d).inp

000776454.b3lyp_6-31g(d).qchem.inp (generated)

000776454.b3lyp_6-31g(d).gjf (generated)

000776454.b3lyp_6-31g(d).firefly.inp (generated)

000776454.b3lyp_6-31g(d).smash.inp (generated)

000776454.b3lyp_6-31g(d).nwchem.inp (generated) 000776454.b3lyp_6-31g(d).log.xz 000776454.td-b3lyp_6-31g+(d).inp 000776454.td-b3lyp_6-31g+(d).log.xz

000776454.td-b3lyp_6-31+g(d).qchem.inp (generated)

000776454.td-b3lyp_6-31+g(d).gjf (generated)

000776454.td-b3lyp_6-31+g(d).firefly.inp (generated)

000776454.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000776454.mol 000776454.PUBCHEM 000776454.mol (via Jmol)
000776455.b3lyp_6-31g(d).inp

000776455.b3lyp_6-31g(d).qchem.inp (generated)

000776455.b3lyp_6-31g(d).gjf (generated)

000776455.b3lyp_6-31g(d).firefly.inp (generated)

000776455.b3lyp_6-31g(d).smash.inp (generated)

000776455.b3lyp_6-31g(d).nwchem.inp (generated) 000776455.b3lyp_6-31g(d).log.xz 000776455.td-b3lyp_6-31g+(d).inp 000776455.td-b3lyp_6-31g+(d).log.xz

000776455.td-b3lyp_6-31+g(d).qchem.inp (generated)

000776455.td-b3lyp_6-31+g(d).gjf (generated)

000776455.td-b3lyp_6-31+g(d).firefly.inp (generated)

000776455.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000776455.mol 000776455.PUBCHEM 000776455.mol (via Jmol)
000776456.b3lyp_6-31g(d).inp

000776456.b3lyp_6-31g(d).qchem.inp (generated)

000776456.b3lyp_6-31g(d).gjf (generated)

000776456.b3lyp_6-31g(d).firefly.inp (generated)

000776456.b3lyp_6-31g(d).smash.inp (generated)

000776456.b3lyp_6-31g(d).nwchem.inp (generated) 000776456.b3lyp_6-31g(d).log.xz 000776456.td-b3lyp_6-31g+(d).inp 000776456.td-b3lyp_6-31g+(d).log.xz

000776456.td-b3lyp_6-31+g(d).qchem.inp (generated)

000776456.td-b3lyp_6-31+g(d).gjf (generated)

000776456.td-b3lyp_6-31+g(d).firefly.inp (generated)

000776456.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000776456.mol 000776456.PUBCHEM 000776456.mol (via Jmol)
000776457.b3lyp_6-31g(d).inp

000776457.b3lyp_6-31g(d).qchem.inp (generated)

000776457.b3lyp_6-31g(d).gjf (generated)

000776457.b3lyp_6-31g(d).firefly.inp (generated)

000776457.b3lyp_6-31g(d).smash.inp (generated)

000776457.b3lyp_6-31g(d).nwchem.inp (generated) 000776457.b3lyp_6-31g(d).log.xz 000776457.td-b3lyp_6-31g+(d).inp 000776457.td-b3lyp_6-31g+(d).log.xz

000776457.td-b3lyp_6-31+g(d).qchem.inp (generated)

000776457.td-b3lyp_6-31+g(d).gjf (generated)

000776457.td-b3lyp_6-31+g(d).firefly.inp (generated)

000776457.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000776457.mol 000776457.PUBCHEM 000776457.mol (via Jmol)
000776458.b3lyp_6-31g(d).inp

000776458.b3lyp_6-31g(d).qchem.inp (generated)

000776458.b3lyp_6-31g(d).gjf (generated)

000776458.b3lyp_6-31g(d).firefly.inp (generated)

000776458.b3lyp_6-31g(d).smash.inp (generated)

000776458.b3lyp_6-31g(d).nwchem.inp (generated) 000776458.b3lyp_6-31g(d).log.xz 000776458.td-b3lyp_6-31g+(d).inp 000776458.td-b3lyp_6-31g+(d).log.xz

000776458.td-b3lyp_6-31+g(d).qchem.inp (generated)

000776458.td-b3lyp_6-31+g(d).gjf (generated)

000776458.td-b3lyp_6-31+g(d).firefly.inp (generated)

000776458.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000776458.mol 000776458.PUBCHEM 000776458.mol (via Jmol)
000776459.b3lyp_6-31g(d).inp

000776459.b3lyp_6-31g(d).qchem.inp (generated)

000776459.b3lyp_6-31g(d).gjf (generated)

000776459.b3lyp_6-31g(d).firefly.inp (generated)

000776459.b3lyp_6-31g(d).smash.inp (generated)

000776459.b3lyp_6-31g(d).nwchem.inp (generated) 000776459.b3lyp_6-31g(d).log.xz 000776459.td-b3lyp_6-31g+(d).inp 000776459.td-b3lyp_6-31g+(d).log.xz

000776459.td-b3lyp_6-31+g(d).qchem.inp (generated)

000776459.td-b3lyp_6-31+g(d).gjf (generated)

000776459.td-b3lyp_6-31+g(d).firefly.inp (generated)

000776459.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000776459.mol 000776459.PUBCHEM 000776459.mol (via Jmol)
000776464.b3lyp_6-31g(d).inp

000776464.b3lyp_6-31g(d).qchem.inp (generated)

000776464.b3lyp_6-31g(d).gjf (generated)

000776464.b3lyp_6-31g(d).firefly.inp (generated)

000776464.b3lyp_6-31g(d).smash.inp (generated)

000776464.b3lyp_6-31g(d).nwchem.inp (generated) 000776464.b3lyp_6-31g(d).log.xz 000776464.td-b3lyp_6-31g+(d).inp 000776464.td-b3lyp_6-31g+(d).log.xz

000776464.td-b3lyp_6-31+g(d).qchem.inp (generated)

000776464.td-b3lyp_6-31+g(d).gjf (generated)

000776464.td-b3lyp_6-31+g(d).firefly.inp (generated)

000776464.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000776464.mol 000776464.PUBCHEM 000776464.mol (via Jmol)
000776467.b3lyp_6-31g(d).inp

000776467.b3lyp_6-31g(d).qchem.inp (generated)

000776467.b3lyp_6-31g(d).gjf (generated)

000776467.b3lyp_6-31g(d).firefly.inp (generated)

000776467.b3lyp_6-31g(d).smash.inp (generated)

000776467.b3lyp_6-31g(d).nwchem.inp (generated) 000776467.b3lyp_6-31g(d).log.xz 000776467.td-b3lyp_6-31g+(d).inp 000776467.td-b3lyp_6-31g+(d).log.xz

000776467.td-b3lyp_6-31+g(d).qchem.inp (generated)

000776467.td-b3lyp_6-31+g(d).gjf (generated)

000776467.td-b3lyp_6-31+g(d).firefly.inp (generated)

000776467.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000776467.mol 000776467.PUBCHEM 000776467.mol (via Jmol)
000776468.b3lyp_6-31g(d).inp

000776468.b3lyp_6-31g(d).qchem.inp (generated)

000776468.b3lyp_6-31g(d).gjf (generated)

000776468.b3lyp_6-31g(d).firefly.inp (generated)

000776468.b3lyp_6-31g(d).smash.inp (generated)

000776468.b3lyp_6-31g(d).nwchem.inp (generated) 000776468.b3lyp_6-31g(d).log.xz 000776468.td-b3lyp_6-31g+(d).inp 000776468.td-b3lyp_6-31g+(d).log.xz

000776468.td-b3lyp_6-31+g(d).qchem.inp (generated)

000776468.td-b3lyp_6-31+g(d).gjf (generated)

000776468.td-b3lyp_6-31+g(d).firefly.inp (generated)

000776468.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000776468.mol 000776468.PUBCHEM 000776468.mol (via Jmol)
000776469.b3lyp_6-31g(d).inp

000776469.b3lyp_6-31g(d).qchem.inp (generated)

000776469.b3lyp_6-31g(d).gjf (generated)

000776469.b3lyp_6-31g(d).firefly.inp (generated)

000776469.b3lyp_6-31g(d).smash.inp (generated)

000776469.b3lyp_6-31g(d).nwchem.inp (generated) 000776469.b3lyp_6-31g(d).log.xz 000776469.td-b3lyp_6-31g+(d).inp 000776469.td-b3lyp_6-31g+(d).log.xz

000776469.td-b3lyp_6-31+g(d).qchem.inp (generated)

000776469.td-b3lyp_6-31+g(d).gjf (generated)

000776469.td-b3lyp_6-31+g(d).firefly.inp (generated)

000776469.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000776469.mol 000776469.PUBCHEM 000776469.mol (via Jmol)
000776475.b3lyp_6-31g(d).inp

000776475.b3lyp_6-31g(d).qchem.inp (generated)

000776475.b3lyp_6-31g(d).gjf (generated)

000776475.b3lyp_6-31g(d).firefly.inp (generated)

000776475.b3lyp_6-31g(d).smash.inp (generated)

000776475.b3lyp_6-31g(d).nwchem.inp (generated) 000776475.b3lyp_6-31g(d).log.xz 000776475.td-b3lyp_6-31g+(d).inp 000776475.td-b3lyp_6-31g+(d).log.xz

000776475.td-b3lyp_6-31+g(d).qchem.inp (generated)

000776475.td-b3lyp_6-31+g(d).gjf (generated)

000776475.td-b3lyp_6-31+g(d).firefly.inp (generated)

000776475.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000776475.mol 000776475.PUBCHEM 000776475.mol (via Jmol)
000776478.b3lyp_6-31g(d).inp

000776478.b3lyp_6-31g(d).qchem.inp (generated)

000776478.b3lyp_6-31g(d).gjf (generated)

000776478.b3lyp_6-31g(d).firefly.inp (generated)

000776478.b3lyp_6-31g(d).smash.inp (generated)

000776478.b3lyp_6-31g(d).nwchem.inp (generated) 000776478.b3lyp_6-31g(d).log.xz 000776478.td-b3lyp_6-31g+(d).inp 000776478.td-b3lyp_6-31g+(d).log.xz

000776478.td-b3lyp_6-31+g(d).qchem.inp (generated)

000776478.td-b3lyp_6-31+g(d).gjf (generated)

000776478.td-b3lyp_6-31+g(d).firefly.inp (generated)

000776478.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000776478.mol 000776478.PUBCHEM 000776478.mol (via Jmol)
000776479.b3lyp_6-31g(d).inp

000776479.b3lyp_6-31g(d).qchem.inp (generated)

000776479.b3lyp_6-31g(d).gjf (generated)

000776479.b3lyp_6-31g(d).firefly.inp (generated)

000776479.b3lyp_6-31g(d).smash.inp (generated)

000776479.b3lyp_6-31g(d).nwchem.inp (generated) 000776479.b3lyp_6-31g(d).log.xz 000776479.td-b3lyp_6-31g+(d).inp 000776479.td-b3lyp_6-31g+(d).log.xz

000776479.td-b3lyp_6-31+g(d).qchem.inp (generated)

000776479.td-b3lyp_6-31+g(d).gjf (generated)

000776479.td-b3lyp_6-31+g(d).firefly.inp (generated)

000776479.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000776479.mol 000776479.PUBCHEM 000776479.mol (via Jmol)
000776480.b3lyp_6-31g(d).inp

000776480.b3lyp_6-31g(d).qchem.inp (generated)

000776480.b3lyp_6-31g(d).gjf (generated)

000776480.b3lyp_6-31g(d).firefly.inp (generated)

000776480.b3lyp_6-31g(d).smash.inp (generated)

000776480.b3lyp_6-31g(d).nwchem.inp (generated) 000776480.b3lyp_6-31g(d).log.xz 000776480.td-b3lyp_6-31g+(d).inp 000776480.td-b3lyp_6-31g+(d).log.xz

000776480.td-b3lyp_6-31+g(d).qchem.inp (generated)

000776480.td-b3lyp_6-31+g(d).gjf (generated)

000776480.td-b3lyp_6-31+g(d).firefly.inp (generated)

000776480.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000776480.mol 000776480.PUBCHEM 000776480.mol (via Jmol)
000776482.b3lyp_6-31g(d).inp

000776482.b3lyp_6-31g(d).qchem.inp (generated)

000776482.b3lyp_6-31g(d).gjf (generated)

000776482.b3lyp_6-31g(d).firefly.inp (generated)

000776482.b3lyp_6-31g(d).smash.inp (generated)

000776482.b3lyp_6-31g(d).nwchem.inp (generated) 000776482.b3lyp_6-31g(d).log.xz 000776482.td-b3lyp_6-31g+(d).inp 000776482.td-b3lyp_6-31g+(d).log.xz

000776482.td-b3lyp_6-31+g(d).qchem.inp (generated)

000776482.td-b3lyp_6-31+g(d).gjf (generated)

000776482.td-b3lyp_6-31+g(d).firefly.inp (generated)

000776482.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000776482.mol 000776482.PUBCHEM 000776482.mol (via Jmol)
000776484.b3lyp_6-31g(d).inp

000776484.b3lyp_6-31g(d).qchem.inp (generated)

000776484.b3lyp_6-31g(d).gjf (generated)

000776484.b3lyp_6-31g(d).firefly.inp (generated)

000776484.b3lyp_6-31g(d).smash.inp (generated)

000776484.b3lyp_6-31g(d).nwchem.inp (generated) 000776484.b3lyp_6-31g(d).log.xz 000776484.mol 000776484.PUBCHEM 000776484.mol (via Jmol)
000776485.b3lyp_6-31g(d).inp

000776485.b3lyp_6-31g(d).qchem.inp (generated)

000776485.b3lyp_6-31g(d).gjf (generated)

000776485.b3lyp_6-31g(d).firefly.inp (generated)

000776485.b3lyp_6-31g(d).smash.inp (generated)

000776485.b3lyp_6-31g(d).nwchem.inp (generated) 000776485.b3lyp_6-31g(d).log.xz 000776485.td-b3lyp_6-31g+(d).inp 000776485.td-b3lyp_6-31g+(d).log.xz

000776485.td-b3lyp_6-31+g(d).qchem.inp (generated)

000776485.td-b3lyp_6-31+g(d).gjf (generated)

000776485.td-b3lyp_6-31+g(d).firefly.inp (generated)

000776485.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000776485.mol 000776485.PUBCHEM 000776485.mol (via Jmol)
000776487.b3lyp_6-31g(d).inp

000776487.b3lyp_6-31g(d).qchem.inp (generated)

000776487.b3lyp_6-31g(d).gjf (generated)

000776487.b3lyp_6-31g(d).firefly.inp (generated)

000776487.b3lyp_6-31g(d).smash.inp (generated)

000776487.b3lyp_6-31g(d).nwchem.inp (generated) 000776487.b3lyp_6-31g(d).log.xz 000776487.td-b3lyp_6-31g+(d).inp 000776487.td-b3lyp_6-31g+(d).log.xz

000776487.td-b3lyp_6-31+g(d).qchem.inp (generated)

000776487.td-b3lyp_6-31+g(d).gjf (generated)

000776487.td-b3lyp_6-31+g(d).firefly.inp (generated)

000776487.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000776487.mol 000776487.PUBCHEM 000776487.mol (via Jmol)
000776490.b3lyp_6-31g(d).inp

000776490.b3lyp_6-31g(d).qchem.inp (generated)

000776490.b3lyp_6-31g(d).gjf (generated)

000776490.b3lyp_6-31g(d).firefly.inp (generated)

000776490.b3lyp_6-31g(d).smash.inp (generated)

000776490.b3lyp_6-31g(d).nwchem.inp (generated) 000776490.b3lyp_6-31g(d).log.xz 000776490.td-b3lyp_6-31g+(d).inp 000776490.td-b3lyp_6-31g+(d).log.xz

000776490.td-b3lyp_6-31+g(d).qchem.inp (generated)

000776490.td-b3lyp_6-31+g(d).gjf (generated)

000776490.td-b3lyp_6-31+g(d).firefly.inp (generated)

000776490.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000776490.mol 000776490.PUBCHEM 000776490.mol (via Jmol)
000776491.b3lyp_6-31g(d).inp

000776491.b3lyp_6-31g(d).qchem.inp (generated)

000776491.b3lyp_6-31g(d).gjf (generated)

000776491.b3lyp_6-31g(d).firefly.inp (generated)

000776491.b3lyp_6-31g(d).smash.inp (generated)

000776491.b3lyp_6-31g(d).nwchem.inp (generated) 000776491.b3lyp_6-31g(d).log.xz 000776491.td-b3lyp_6-31g+(d).inp 000776491.td-b3lyp_6-31g+(d).log.xz

000776491.td-b3lyp_6-31+g(d).qchem.inp (generated)

000776491.td-b3lyp_6-31+g(d).gjf (generated)

000776491.td-b3lyp_6-31+g(d).firefly.inp (generated)

000776491.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000776491.mol 000776491.PUBCHEM 000776491.mol (via Jmol)
000776492.b3lyp_6-31g(d).inp

000776492.b3lyp_6-31g(d).qchem.inp (generated)

000776492.b3lyp_6-31g(d).gjf (generated)

000776492.b3lyp_6-31g(d).firefly.inp (generated)

000776492.b3lyp_6-31g(d).smash.inp (generated)

000776492.b3lyp_6-31g(d).nwchem.inp (generated) 000776492.b3lyp_6-31g(d).log.xz 000776492.td-b3lyp_6-31g+(d).inp 000776492.td-b3lyp_6-31g+(d).log.xz

000776492.td-b3lyp_6-31+g(d).qchem.inp (generated)

000776492.td-b3lyp_6-31+g(d).gjf (generated)

000776492.td-b3lyp_6-31+g(d).firefly.inp (generated)

000776492.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000776492.mol 000776492.PUBCHEM 000776492.mol (via Jmol)
000776497.b3lyp_6-31g(d).inp

000776497.b3lyp_6-31g(d).qchem.inp (generated)

000776497.b3lyp_6-31g(d).gjf (generated)

000776497.b3lyp_6-31g(d).firefly.inp (generated)

000776497.b3lyp_6-31g(d).smash.inp (generated)

000776497.b3lyp_6-31g(d).nwchem.inp (generated) 000776497.b3lyp_6-31g(d).log.xz 000776497.mol 000776497.PUBCHEM 000776497.mol (via Jmol)
000776498.b3lyp_6-31g(d).inp

000776498.b3lyp_6-31g(d).qchem.inp (generated)

000776498.b3lyp_6-31g(d).gjf (generated)

000776498.b3lyp_6-31g(d).firefly.inp (generated)

000776498.b3lyp_6-31g(d).smash.inp (generated)

000776498.b3lyp_6-31g(d).nwchem.inp (generated) 000776498.b3lyp_6-31g(d).log.xz 000776498.td-b3lyp_6-31g+(d).inp 000776498.td-b3lyp_6-31g+(d).log.xz

000776498.td-b3lyp_6-31+g(d).qchem.inp (generated)

000776498.td-b3lyp_6-31+g(d).gjf (generated)

000776498.td-b3lyp_6-31+g(d).firefly.inp (generated)

000776498.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000776498.mol 000776498.PUBCHEM 000776498.mol (via Jmol)
000776501.b3lyp_6-31g(d).inp

000776501.b3lyp_6-31g(d).qchem.inp (generated)

000776501.b3lyp_6-31g(d).gjf (generated)

000776501.b3lyp_6-31g(d).firefly.inp (generated)

000776501.b3lyp_6-31g(d).smash.inp (generated)

000776501.b3lyp_6-31g(d).nwchem.inp (generated) 000776501.b3lyp_6-31g(d).log.xz 000776501.td-b3lyp_6-31g+(d).inp 000776501.td-b3lyp_6-31g+(d).log.xz

000776501.td-b3lyp_6-31+g(d).qchem.inp (generated)

000776501.td-b3lyp_6-31+g(d).gjf (generated)

000776501.td-b3lyp_6-31+g(d).firefly.inp (generated)

000776501.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000776501.mol 000776501.PUBCHEM 000776501.mol (via Jmol)
000776502.b3lyp_6-31g(d).inp

000776502.b3lyp_6-31g(d).qchem.inp (generated)

000776502.b3lyp_6-31g(d).gjf (generated)

000776502.b3lyp_6-31g(d).firefly.inp (generated)

000776502.b3lyp_6-31g(d).smash.inp (generated)

000776502.b3lyp_6-31g(d).nwchem.inp (generated) 000776502.b3lyp_6-31g(d).log.xz 000776502.td-b3lyp_6-31g+(d).inp 000776502.td-b3lyp_6-31g+(d).log.xz

000776502.td-b3lyp_6-31+g(d).qchem.inp (generated)

000776502.td-b3lyp_6-31+g(d).gjf (generated)

000776502.td-b3lyp_6-31+g(d).firefly.inp (generated)

000776502.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000776502.mol 000776502.PUBCHEM 000776502.mol (via Jmol)
000776503.b3lyp_6-31g(d).inp

000776503.b3lyp_6-31g(d).qchem.inp (generated)

000776503.b3lyp_6-31g(d).gjf (generated)

000776503.b3lyp_6-31g(d).firefly.inp (generated)

000776503.b3lyp_6-31g(d).smash.inp (generated)

000776503.b3lyp_6-31g(d).nwchem.inp (generated) 000776503.b3lyp_6-31g(d).log.xz 000776503.td-b3lyp_6-31g+(d).inp 000776503.td-b3lyp_6-31g+(d).log.xz

000776503.td-b3lyp_6-31+g(d).qchem.inp (generated)

000776503.td-b3lyp_6-31+g(d).gjf (generated)

000776503.td-b3lyp_6-31+g(d).firefly.inp (generated)

000776503.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000776503.mol 000776503.PUBCHEM 000776503.mol (via Jmol)
000776504.b3lyp_6-31g(d).inp

000776504.b3lyp_6-31g(d).qchem.inp (generated)

000776504.b3lyp_6-31g(d).gjf (generated)

000776504.b3lyp_6-31g(d).firefly.inp (generated)

000776504.b3lyp_6-31g(d).smash.inp (generated)

000776504.b3lyp_6-31g(d).nwchem.inp (generated) 000776504.b3lyp_6-31g(d).log.xz 000776504.mol 000776504.PUBCHEM 000776504.mol (via Jmol)
000776505.b3lyp_6-31g(d).inp

000776505.b3lyp_6-31g(d).qchem.inp (generated)

000776505.b3lyp_6-31g(d).gjf (generated)

000776505.b3lyp_6-31g(d).firefly.inp (generated)

000776505.b3lyp_6-31g(d).smash.inp (generated)

000776505.b3lyp_6-31g(d).nwchem.inp (generated) 000776505.b3lyp_6-31g(d).log.xz 000776505.td-b3lyp_6-31g+(d).inp 000776505.td-b3lyp_6-31g+(d).log.xz

000776505.td-b3lyp_6-31+g(d).qchem.inp (generated)

000776505.td-b3lyp_6-31+g(d).gjf (generated)

000776505.td-b3lyp_6-31+g(d).firefly.inp (generated)

000776505.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000776505.mol 000776505.PUBCHEM 000776505.mol (via Jmol)
000776506.b3lyp_6-31g(d).inp

000776506.b3lyp_6-31g(d).qchem.inp (generated)

000776506.b3lyp_6-31g(d).gjf (generated)

000776506.b3lyp_6-31g(d).firefly.inp (generated)

000776506.b3lyp_6-31g(d).smash.inp (generated)

000776506.b3lyp_6-31g(d).nwchem.inp (generated) 000776506.b3lyp_6-31g(d).log.xz 000776506.td-b3lyp_6-31g+(d).inp 000776506.td-b3lyp_6-31g+(d).log.xz

000776506.td-b3lyp_6-31+g(d).qchem.inp (generated)

000776506.td-b3lyp_6-31+g(d).gjf (generated)

000776506.td-b3lyp_6-31+g(d).firefly.inp (generated)

000776506.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000776506.mol 000776506.PUBCHEM 000776506.mol (via Jmol)
000776511.b3lyp_6-31g(d).inp

000776511.b3lyp_6-31g(d).qchem.inp (generated)

000776511.b3lyp_6-31g(d).gjf (generated)

000776511.b3lyp_6-31g(d).firefly.inp (generated)

000776511.b3lyp_6-31g(d).smash.inp (generated)

000776511.b3lyp_6-31g(d).nwchem.inp (generated) 000776511.b3lyp_6-31g(d).log.xz 000776511.td-b3lyp_6-31g+(d).inp 000776511.td-b3lyp_6-31g+(d).log.xz

000776511.td-b3lyp_6-31+g(d).qchem.inp (generated)

000776511.td-b3lyp_6-31+g(d).gjf (generated)

000776511.td-b3lyp_6-31+g(d).firefly.inp (generated)

000776511.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000776511.mol 000776511.PUBCHEM 000776511.mol (via Jmol)
000776512.b3lyp_6-31g(d).inp

000776512.b3lyp_6-31g(d).qchem.inp (generated)

000776512.b3lyp_6-31g(d).gjf (generated)

000776512.b3lyp_6-31g(d).firefly.inp (generated)

000776512.b3lyp_6-31g(d).smash.inp (generated)

000776512.b3lyp_6-31g(d).nwchem.inp (generated) 000776512.b3lyp_6-31g(d).log.xz 000776512.mol 000776512.PUBCHEM 000776512.mol (via Jmol)
000776519.b3lyp_6-31g(d).inp

000776519.b3lyp_6-31g(d).qchem.inp (generated)

000776519.b3lyp_6-31g(d).gjf (generated)

000776519.b3lyp_6-31g(d).firefly.inp (generated)

000776519.b3lyp_6-31g(d).smash.inp (generated)

000776519.b3lyp_6-31g(d).nwchem.inp (generated) 000776519.b3lyp_6-31g(d).log.xz 000776519.td-b3lyp_6-31g+(d).inp 000776519.td-b3lyp_6-31g+(d).log.xz

000776519.td-b3lyp_6-31+g(d).qchem.inp (generated)

000776519.td-b3lyp_6-31+g(d).gjf (generated)

000776519.td-b3lyp_6-31+g(d).firefly.inp (generated)

000776519.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000776519.mol 000776519.PUBCHEM 000776519.mol (via Jmol)
000776520.b3lyp_6-31g(d).inp

000776520.b3lyp_6-31g(d).qchem.inp (generated)

000776520.b3lyp_6-31g(d).gjf (generated)

000776520.b3lyp_6-31g(d).firefly.inp (generated)

000776520.b3lyp_6-31g(d).smash.inp (generated)

000776520.b3lyp_6-31g(d).nwchem.inp (generated) 000776520.b3lyp_6-31g(d).log.xz 000776520.td-b3lyp_6-31g+(d).inp 000776520.td-b3lyp_6-31g+(d).log.xz

000776520.td-b3lyp_6-31+g(d).qchem.inp (generated)

000776520.td-b3lyp_6-31+g(d).gjf (generated)

000776520.td-b3lyp_6-31+g(d).firefly.inp (generated)

000776520.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000776520.mol 000776520.PUBCHEM 000776520.mol (via Jmol)
000776521.b3lyp_6-31g(d).inp

000776521.b3lyp_6-31g(d).qchem.inp (generated)

000776521.b3lyp_6-31g(d).gjf (generated)

000776521.b3lyp_6-31g(d).firefly.inp (generated)

000776521.b3lyp_6-31g(d).smash.inp (generated)

000776521.b3lyp_6-31g(d).nwchem.inp (generated) 000776521.b3lyp_6-31g(d).log.xz 000776521.td-b3lyp_6-31g+(d).inp 000776521.td-b3lyp_6-31g+(d).log.xz

000776521.td-b3lyp_6-31+g(d).qchem.inp (generated)

000776521.td-b3lyp_6-31+g(d).gjf (generated)

000776521.td-b3lyp_6-31+g(d).firefly.inp (generated)

000776521.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000776521.mol 000776521.PUBCHEM 000776521.mol (via Jmol)
000776523.b3lyp_6-31g(d).inp

000776523.b3lyp_6-31g(d).qchem.inp (generated)

000776523.b3lyp_6-31g(d).gjf (generated)

000776523.b3lyp_6-31g(d).firefly.inp (generated)

000776523.b3lyp_6-31g(d).smash.inp (generated)

000776523.b3lyp_6-31g(d).nwchem.inp (generated) 000776523.b3lyp_6-31g(d).log.xz 000776523.mol 000776523.PUBCHEM 000776523.mol (via Jmol)
000776525.b3lyp_6-31g(d).inp

000776525.b3lyp_6-31g(d).qchem.inp (generated)

000776525.b3lyp_6-31g(d).gjf (generated)

000776525.b3lyp_6-31g(d).firefly.inp (generated)

000776525.b3lyp_6-31g(d).smash.inp (generated)

000776525.b3lyp_6-31g(d).nwchem.inp (generated) 000776525.b3lyp_6-31g(d).log.xz 000776525.td-b3lyp_6-31g+(d).inp 000776525.td-b3lyp_6-31g+(d).log.xz

000776525.td-b3lyp_6-31+g(d).qchem.inp (generated)

000776525.td-b3lyp_6-31+g(d).gjf (generated)

000776525.td-b3lyp_6-31+g(d).firefly.inp (generated)

000776525.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000776525.mol 000776525.PUBCHEM 000776525.mol (via Jmol)
000776527.b3lyp_6-31g(d).inp

000776527.b3lyp_6-31g(d).qchem.inp (generated)

000776527.b3lyp_6-31g(d).gjf (generated)

000776527.b3lyp_6-31g(d).firefly.inp (generated)

000776527.b3lyp_6-31g(d).smash.inp (generated)

000776527.b3lyp_6-31g(d).nwchem.inp (generated) 000776527.b3lyp_6-31g(d).log.xz 000776527.td-b3lyp_6-31g+(d).inp 000776527.td-b3lyp_6-31g+(d).log.xz

000776527.td-b3lyp_6-31+g(d).qchem.inp (generated)

000776527.td-b3lyp_6-31+g(d).gjf (generated)

000776527.td-b3lyp_6-31+g(d).firefly.inp (generated)

000776527.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000776527.mol 000776527.PUBCHEM 000776527.mol (via Jmol)
000776533.b3lyp_6-31g(d).inp

000776533.b3lyp_6-31g(d).qchem.inp (generated)

000776533.b3lyp_6-31g(d).gjf (generated)

000776533.b3lyp_6-31g(d).firefly.inp (generated)

000776533.b3lyp_6-31g(d).smash.inp (generated)

000776533.b3lyp_6-31g(d).nwchem.inp (generated) 000776533.b3lyp_6-31g(d).log.xz 000776533.td-b3lyp_6-31g+(d).inp 000776533.td-b3lyp_6-31g+(d).log.xz

000776533.td-b3lyp_6-31+g(d).qchem.inp (generated)

000776533.td-b3lyp_6-31+g(d).gjf (generated)

000776533.td-b3lyp_6-31+g(d).firefly.inp (generated)

000776533.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000776533.mol 000776533.PUBCHEM 000776533.mol (via Jmol)
000776534.b3lyp_6-31g(d).inp

000776534.b3lyp_6-31g(d).qchem.inp (generated)

000776534.b3lyp_6-31g(d).gjf (generated)

000776534.b3lyp_6-31g(d).firefly.inp (generated)

000776534.b3lyp_6-31g(d).smash.inp (generated)

000776534.b3lyp_6-31g(d).nwchem.inp (generated) 000776534.b3lyp_6-31g(d).log.xz 000776534.td-b3lyp_6-31g+(d).inp 000776534.td-b3lyp_6-31g+(d).log.xz

000776534.td-b3lyp_6-31+g(d).qchem.inp (generated)

000776534.td-b3lyp_6-31+g(d).gjf (generated)

000776534.td-b3lyp_6-31+g(d).firefly.inp (generated)

000776534.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000776534.mol 000776534.PUBCHEM 000776534.mol (via Jmol)
000776541.b3lyp_6-31g(d).inp

000776541.b3lyp_6-31g(d).qchem.inp (generated)

000776541.b3lyp_6-31g(d).gjf (generated)

000776541.b3lyp_6-31g(d).firefly.inp (generated)

000776541.b3lyp_6-31g(d).smash.inp (generated)

000776541.b3lyp_6-31g(d).nwchem.inp (generated) 000776541.b3lyp_6-31g(d).log.xz 000776541.td-b3lyp_6-31g+(d).inp 000776541.td-b3lyp_6-31g+(d).log.xz

000776541.td-b3lyp_6-31+g(d).qchem.inp (generated)

000776541.td-b3lyp_6-31+g(d).gjf (generated)

000776541.td-b3lyp_6-31+g(d).firefly.inp (generated)

000776541.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000776541.mol 000776541.PUBCHEM 000776541.mol (via Jmol)
000776543.b3lyp_6-31g(d).inp

000776543.b3lyp_6-31g(d).qchem.inp (generated)

000776543.b3lyp_6-31g(d).gjf (generated)

000776543.b3lyp_6-31g(d).firefly.inp (generated)

000776543.b3lyp_6-31g(d).smash.inp (generated)

000776543.b3lyp_6-31g(d).nwchem.inp (generated) 000776543.b3lyp_6-31g(d).log.xz 000776543.td-b3lyp_6-31g+(d).inp 000776543.td-b3lyp_6-31g+(d).log.xz

000776543.td-b3lyp_6-31+g(d).qchem.inp (generated)

000776543.td-b3lyp_6-31+g(d).gjf (generated)

000776543.td-b3lyp_6-31+g(d).firefly.inp (generated)

000776543.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000776543.mol 000776543.PUBCHEM 000776543.mol (via Jmol)
000776544.b3lyp_6-31g(d).inp

000776544.b3lyp_6-31g(d).qchem.inp (generated)

000776544.b3lyp_6-31g(d).gjf (generated)

000776544.b3lyp_6-31g(d).firefly.inp (generated)

000776544.b3lyp_6-31g(d).smash.inp (generated)

000776544.b3lyp_6-31g(d).nwchem.inp (generated) 000776544.b3lyp_6-31g(d).log.xz 000776544.td-b3lyp_6-31g+(d).inp 000776544.td-b3lyp_6-31g+(d).log.xz

000776544.td-b3lyp_6-31+g(d).qchem.inp (generated)

000776544.td-b3lyp_6-31+g(d).gjf (generated)

000776544.td-b3lyp_6-31+g(d).firefly.inp (generated)

000776544.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000776544.mol 000776544.PUBCHEM 000776544.mol (via Jmol)
000776548.b3lyp_6-31g(d).inp

000776548.b3lyp_6-31g(d).qchem.inp (generated)

000776548.b3lyp_6-31g(d).gjf (generated)

000776548.b3lyp_6-31g(d).firefly.inp (generated)

000776548.b3lyp_6-31g(d).smash.inp (generated)

000776548.b3lyp_6-31g(d).nwchem.inp (generated) 000776548.b3lyp_6-31g(d).log.xz 000776548.mol 000776548.PUBCHEM 000776548.mol (via Jmol)
000776549.b3lyp_6-31g(d).inp

000776549.b3lyp_6-31g(d).qchem.inp (generated)

000776549.b3lyp_6-31g(d).gjf (generated)

000776549.b3lyp_6-31g(d).firefly.inp (generated)

000776549.b3lyp_6-31g(d).smash.inp (generated)

000776549.b3lyp_6-31g(d).nwchem.inp (generated) 000776549.b3lyp_6-31g(d).log.xz 000776549.td-b3lyp_6-31g+(d).inp 000776549.td-b3lyp_6-31g+(d).log.xz

000776549.td-b3lyp_6-31+g(d).qchem.inp (generated)

000776549.td-b3lyp_6-31+g(d).gjf (generated)

000776549.td-b3lyp_6-31+g(d).firefly.inp (generated)

000776549.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000776549.mol 000776549.PUBCHEM 000776549.mol (via Jmol)
000776550.b3lyp_6-31g(d).inp

000776550.b3lyp_6-31g(d).qchem.inp (generated)

000776550.b3lyp_6-31g(d).gjf (generated)

000776550.b3lyp_6-31g(d).firefly.inp (generated)

000776550.b3lyp_6-31g(d).smash.inp (generated)

000776550.b3lyp_6-31g(d).nwchem.inp (generated) 000776550.b3lyp_6-31g(d).log.xz 000776550.td-b3lyp_6-31g+(d).inp 000776550.td-b3lyp_6-31g+(d).log.xz

000776550.td-b3lyp_6-31+g(d).qchem.inp (generated)

000776550.td-b3lyp_6-31+g(d).gjf (generated)

000776550.td-b3lyp_6-31+g(d).firefly.inp (generated)

000776550.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000776550.mol 000776550.PUBCHEM 000776550.mol (via Jmol)
000776551.b3lyp_6-31g(d).inp

000776551.b3lyp_6-31g(d).qchem.inp (generated)

000776551.b3lyp_6-31g(d).gjf (generated)

000776551.b3lyp_6-31g(d).firefly.inp (generated)

000776551.b3lyp_6-31g(d).smash.inp (generated)

000776551.b3lyp_6-31g(d).nwchem.inp (generated) 000776551.b3lyp_6-31g(d).log.xz 000776551.td-b3lyp_6-31g+(d).inp 000776551.td-b3lyp_6-31g+(d).log.xz

000776551.td-b3lyp_6-31+g(d).qchem.inp (generated)

000776551.td-b3lyp_6-31+g(d).gjf (generated)

000776551.td-b3lyp_6-31+g(d).firefly.inp (generated)

000776551.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000776551.mol 000776551.PUBCHEM 000776551.mol (via Jmol)
000776561.b3lyp_6-31g(d).inp

000776561.b3lyp_6-31g(d).qchem.inp (generated)

000776561.b3lyp_6-31g(d).gjf (generated)

000776561.b3lyp_6-31g(d).firefly.inp (generated)

000776561.b3lyp_6-31g(d).smash.inp (generated)

000776561.b3lyp_6-31g(d).nwchem.inp (generated) 000776561.b3lyp_6-31g(d).log.xz 000776561.td-b3lyp_6-31g+(d).inp 000776561.td-b3lyp_6-31g+(d).log.xz

000776561.td-b3lyp_6-31+g(d).qchem.inp (generated)

000776561.td-b3lyp_6-31+g(d).gjf (generated)

000776561.td-b3lyp_6-31+g(d).firefly.inp (generated)

000776561.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000776561.mol 000776561.PUBCHEM 000776561.mol (via Jmol)
000776564.b3lyp_6-31g(d).inp

000776564.b3lyp_6-31g(d).qchem.inp (generated)

000776564.b3lyp_6-31g(d).gjf (generated)

000776564.b3lyp_6-31g(d).firefly.inp (generated)

000776564.b3lyp_6-31g(d).smash.inp (generated)

000776564.b3lyp_6-31g(d).nwchem.inp (generated) 000776564.b3lyp_6-31g(d).log.xz 000776564.td-b3lyp_6-31g+(d).inp 000776564.td-b3lyp_6-31g+(d).log.xz

000776564.td-b3lyp_6-31+g(d).qchem.inp (generated)

000776564.td-b3lyp_6-31+g(d).gjf (generated)

000776564.td-b3lyp_6-31+g(d).firefly.inp (generated)

000776564.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000776564.mol 000776564.PUBCHEM 000776564.mol (via Jmol)
000776566.b3lyp_6-31g(d).inp

000776566.b3lyp_6-31g(d).qchem.inp (generated)

000776566.b3lyp_6-31g(d).gjf (generated)

000776566.b3lyp_6-31g(d).firefly.inp (generated)

000776566.b3lyp_6-31g(d).smash.inp (generated)

000776566.b3lyp_6-31g(d).nwchem.inp (generated) 000776566.b3lyp_6-31g(d).log.xz 000776566.td-b3lyp_6-31g+(d).inp 000776566.td-b3lyp_6-31g+(d).log.xz

000776566.td-b3lyp_6-31+g(d).qchem.inp (generated)

000776566.td-b3lyp_6-31+g(d).gjf (generated)

000776566.td-b3lyp_6-31+g(d).firefly.inp (generated)

000776566.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000776566.mol 000776566.PUBCHEM 000776566.mol (via Jmol)
000776568.b3lyp_6-31g(d).inp

000776568.b3lyp_6-31g(d).qchem.inp (generated)

000776568.b3lyp_6-31g(d).gjf (generated)

000776568.b3lyp_6-31g(d).firefly.inp (generated)

000776568.b3lyp_6-31g(d).smash.inp (generated)

000776568.b3lyp_6-31g(d).nwchem.inp (generated) 000776568.b3lyp_6-31g(d).log.xz 000776568.td-b3lyp_6-31g+(d).inp 000776568.td-b3lyp_6-31g+(d).log.xz

000776568.td-b3lyp_6-31+g(d).qchem.inp (generated)

000776568.td-b3lyp_6-31+g(d).gjf (generated)

000776568.td-b3lyp_6-31+g(d).firefly.inp (generated)

000776568.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000776568.mol 000776568.PUBCHEM 000776568.mol (via Jmol)
000776573.b3lyp_6-31g(d).inp

000776573.b3lyp_6-31g(d).qchem.inp (generated)

000776573.b3lyp_6-31g(d).gjf (generated)

000776573.b3lyp_6-31g(d).firefly.inp (generated)

000776573.b3lyp_6-31g(d).smash.inp (generated)

000776573.b3lyp_6-31g(d).nwchem.inp (generated) 000776573.b3lyp_6-31g(d).log.xz 000776573.td-b3lyp_6-31g+(d).inp 000776573.td-b3lyp_6-31g+(d).log.xz

000776573.td-b3lyp_6-31+g(d).qchem.inp (generated)

000776573.td-b3lyp_6-31+g(d).gjf (generated)

000776573.td-b3lyp_6-31+g(d).firefly.inp (generated)

000776573.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000776573.mol 000776573.PUBCHEM 000776573.mol (via Jmol)
000776575.b3lyp_6-31g(d).inp

000776575.b3lyp_6-31g(d).qchem.inp (generated)

000776575.b3lyp_6-31g(d).gjf (generated)

000776575.b3lyp_6-31g(d).firefly.inp (generated)

000776575.b3lyp_6-31g(d).smash.inp (generated)

000776575.b3lyp_6-31g(d).nwchem.inp (generated) 000776575.b3lyp_6-31g(d).log.xz 000776575.td-b3lyp_6-31g+(d).inp 000776575.td-b3lyp_6-31g+(d).log.xz

000776575.td-b3lyp_6-31+g(d).qchem.inp (generated)

000776575.td-b3lyp_6-31+g(d).gjf (generated)

000776575.td-b3lyp_6-31+g(d).firefly.inp (generated)

000776575.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000776575.mol 000776575.PUBCHEM 000776575.mol (via Jmol)
000776585.b3lyp_6-31g(d).inp

000776585.b3lyp_6-31g(d).qchem.inp (generated)

000776585.b3lyp_6-31g(d).gjf (generated)

000776585.b3lyp_6-31g(d).firefly.inp (generated)

000776585.b3lyp_6-31g(d).smash.inp (generated)

000776585.b3lyp_6-31g(d).nwchem.inp (generated) 000776585.b3lyp_6-31g(d).log.xz 000776585.td-b3lyp_6-31g+(d).inp 000776585.td-b3lyp_6-31g+(d).log.xz

000776585.td-b3lyp_6-31+g(d).qchem.inp (generated)

000776585.td-b3lyp_6-31+g(d).gjf (generated)

000776585.td-b3lyp_6-31+g(d).firefly.inp (generated)

000776585.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000776585.mol 000776585.PUBCHEM 000776585.mol (via Jmol)
000776586.b3lyp_6-31g(d).inp

000776586.b3lyp_6-31g(d).qchem.inp (generated)

000776586.b3lyp_6-31g(d).gjf (generated)

000776586.b3lyp_6-31g(d).firefly.inp (generated)

000776586.b3lyp_6-31g(d).smash.inp (generated)

000776586.b3lyp_6-31g(d).nwchem.inp (generated) 000776586.b3lyp_6-31g(d).log.xz 000776586.td-b3lyp_6-31g+(d).inp 000776586.td-b3lyp_6-31g+(d).log.xz

000776586.td-b3lyp_6-31+g(d).qchem.inp (generated)

000776586.td-b3lyp_6-31+g(d).gjf (generated)

000776586.td-b3lyp_6-31+g(d).firefly.inp (generated)

000776586.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000776586.mol 000776586.PUBCHEM 000776586.mol (via Jmol)
000776619.b3lyp_6-31g(d).inp

000776619.b3lyp_6-31g(d).qchem.inp (generated)

000776619.b3lyp_6-31g(d).gjf (generated)

000776619.b3lyp_6-31g(d).firefly.inp (generated)

000776619.b3lyp_6-31g(d).smash.inp (generated)

000776619.b3lyp_6-31g(d).nwchem.inp (generated) 000776619.b3lyp_6-31g(d).log.xz 000776619.td-b3lyp_6-31g+(d).inp 000776619.td-b3lyp_6-31g+(d).log.xz

000776619.td-b3lyp_6-31+g(d).qchem.inp (generated)

000776619.td-b3lyp_6-31+g(d).gjf (generated)

000776619.td-b3lyp_6-31+g(d).firefly.inp (generated)

000776619.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000776619.mol 000776619.PUBCHEM 000776619.mol (via Jmol)
000776622.b3lyp_6-31g(d).inp

000776622.b3lyp_6-31g(d).qchem.inp (generated)

000776622.b3lyp_6-31g(d).gjf (generated)

000776622.b3lyp_6-31g(d).firefly.inp (generated)

000776622.b3lyp_6-31g(d).smash.inp (generated)

000776622.b3lyp_6-31g(d).nwchem.inp (generated) 000776622.b3lyp_6-31g(d).log.xz 000776622.td-b3lyp_6-31g+(d).inp 000776622.td-b3lyp_6-31g+(d).log.xz

000776622.td-b3lyp_6-31+g(d).qchem.inp (generated)

000776622.td-b3lyp_6-31+g(d).gjf (generated)

000776622.td-b3lyp_6-31+g(d).firefly.inp (generated)

000776622.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000776622.mol 000776622.PUBCHEM 000776622.mol (via Jmol)
000776646.b3lyp_6-31g(d).inp

000776646.b3lyp_6-31g(d).qchem.inp (generated)

000776646.b3lyp_6-31g(d).gjf (generated)

000776646.b3lyp_6-31g(d).firefly.inp (generated)

000776646.b3lyp_6-31g(d).smash.inp (generated)

000776646.b3lyp_6-31g(d).nwchem.inp (generated) 000776646.b3lyp_6-31g(d).log.xz 000776646.mol 000776646.PUBCHEM 000776646.mol (via Jmol)
000776663.b3lyp_6-31g(d).inp

000776663.b3lyp_6-31g(d).qchem.inp (generated)

000776663.b3lyp_6-31g(d).gjf (generated)

000776663.b3lyp_6-31g(d).firefly.inp (generated)

000776663.b3lyp_6-31g(d).smash.inp (generated)

000776663.b3lyp_6-31g(d).nwchem.inp (generated) 000776663.b3lyp_6-31g(d).log.xz 000776663.td-b3lyp_6-31g+(d).inp 000776663.td-b3lyp_6-31g+(d).log.xz

000776663.td-b3lyp_6-31+g(d).qchem.inp (generated)

000776663.td-b3lyp_6-31+g(d).gjf (generated)

000776663.td-b3lyp_6-31+g(d).firefly.inp (generated)

000776663.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000776663.mol 000776663.PUBCHEM 000776663.mol (via Jmol)
000776680.b3lyp_6-31g(d).inp

000776680.b3lyp_6-31g(d).qchem.inp (generated)

000776680.b3lyp_6-31g(d).gjf (generated)

000776680.b3lyp_6-31g(d).firefly.inp (generated)

000776680.b3lyp_6-31g(d).smash.inp (generated)

000776680.b3lyp_6-31g(d).nwchem.inp (generated) 000776680.b3lyp_6-31g(d).log.xz 000776680.td-b3lyp_6-31g+(d).inp 000776680.td-b3lyp_6-31g+(d).log.xz

000776680.td-b3lyp_6-31+g(d).qchem.inp (generated)

000776680.td-b3lyp_6-31+g(d).gjf (generated)

000776680.td-b3lyp_6-31+g(d).firefly.inp (generated)

000776680.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000776680.mol 000776680.PUBCHEM 000776680.mol (via Jmol)
000776692.b3lyp_6-31g(d).inp

000776692.b3lyp_6-31g(d).qchem.inp (generated)

000776692.b3lyp_6-31g(d).gjf (generated)

000776692.b3lyp_6-31g(d).firefly.inp (generated)

000776692.b3lyp_6-31g(d).smash.inp (generated)

000776692.b3lyp_6-31g(d).nwchem.inp (generated) 000776692.b3lyp_6-31g(d).log.xz 000776692.td-b3lyp_6-31g+(d).inp 000776692.td-b3lyp_6-31g+(d).log.xz

000776692.td-b3lyp_6-31+g(d).qchem.inp (generated)

000776692.td-b3lyp_6-31+g(d).gjf (generated)

000776692.td-b3lyp_6-31+g(d).firefly.inp (generated)

000776692.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000776692.mol 000776692.PUBCHEM 000776692.mol (via Jmol)
000776695.b3lyp_6-31g(d).inp

000776695.b3lyp_6-31g(d).qchem.inp (generated)

000776695.b3lyp_6-31g(d).gjf (generated)

000776695.b3lyp_6-31g(d).firefly.inp (generated)

000776695.b3lyp_6-31g(d).smash.inp (generated)

000776695.b3lyp_6-31g(d).nwchem.inp (generated) 000776695.b3lyp_6-31g(d).log.xz 000776695.td-b3lyp_6-31g+(d).inp 000776695.td-b3lyp_6-31g+(d).log.xz

000776695.td-b3lyp_6-31+g(d).qchem.inp (generated)

000776695.td-b3lyp_6-31+g(d).gjf (generated)

000776695.td-b3lyp_6-31+g(d).firefly.inp (generated)

000776695.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000776695.mol 000776695.PUBCHEM 000776695.mol (via Jmol)
000776696.b3lyp_6-31g(d).inp

000776696.b3lyp_6-31g(d).qchem.inp (generated)

000776696.b3lyp_6-31g(d).gjf (generated)

000776696.b3lyp_6-31g(d).firefly.inp (generated)

000776696.b3lyp_6-31g(d).smash.inp (generated)

000776696.b3lyp_6-31g(d).nwchem.inp (generated) 000776696.b3lyp_6-31g(d).log.xz 000776696.td-b3lyp_6-31g+(d).inp 000776696.td-b3lyp_6-31g+(d).log.xz

000776696.td-b3lyp_6-31+g(d).qchem.inp (generated)

000776696.td-b3lyp_6-31+g(d).gjf (generated)

000776696.td-b3lyp_6-31+g(d).firefly.inp (generated)

000776696.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000776696.mol 000776696.PUBCHEM 000776696.mol (via Jmol)
000776706.b3lyp_6-31g(d).inp

000776706.b3lyp_6-31g(d).qchem.inp (generated)

000776706.b3lyp_6-31g(d).gjf (generated)

000776706.b3lyp_6-31g(d).firefly.inp (generated)

000776706.b3lyp_6-31g(d).smash.inp (generated)

000776706.b3lyp_6-31g(d).nwchem.inp (generated) 000776706.b3lyp_6-31g(d).log.xz 000776706.td-b3lyp_6-31g+(d).inp 000776706.td-b3lyp_6-31g+(d).log.xz

000776706.td-b3lyp_6-31+g(d).qchem.inp (generated)

000776706.td-b3lyp_6-31+g(d).gjf (generated)

000776706.td-b3lyp_6-31+g(d).firefly.inp (generated)

000776706.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000776706.mol 000776706.PUBCHEM 000776706.mol (via Jmol)
000776709.b3lyp_6-31g(d).inp

000776709.b3lyp_6-31g(d).qchem.inp (generated)

000776709.b3lyp_6-31g(d).gjf (generated)

000776709.b3lyp_6-31g(d).firefly.inp (generated)

000776709.b3lyp_6-31g(d).smash.inp (generated)

000776709.b3lyp_6-31g(d).nwchem.inp (generated) 000776709.b3lyp_6-31g(d).log.xz 000776709.td-b3lyp_6-31g+(d).inp 000776709.td-b3lyp_6-31g+(d).log.xz

000776709.td-b3lyp_6-31+g(d).qchem.inp (generated)

000776709.td-b3lyp_6-31+g(d).gjf (generated)

000776709.td-b3lyp_6-31+g(d).firefly.inp (generated)

000776709.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000776709.mol 000776709.PUBCHEM 000776709.mol (via Jmol)
000776719.b3lyp_6-31g(d).inp

000776719.b3lyp_6-31g(d).qchem.inp (generated)

000776719.b3lyp_6-31g(d).gjf (generated)

000776719.b3lyp_6-31g(d).firefly.inp (generated)

000776719.b3lyp_6-31g(d).smash.inp (generated)

000776719.b3lyp_6-31g(d).nwchem.inp (generated) 000776719.b3lyp_6-31g(d).log.xz 000776719.td-b3lyp_6-31g+(d).inp 000776719.td-b3lyp_6-31g+(d).log.xz

000776719.td-b3lyp_6-31+g(d).qchem.inp (generated)

000776719.td-b3lyp_6-31+g(d).gjf (generated)

000776719.td-b3lyp_6-31+g(d).firefly.inp (generated)

000776719.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000776719.mol 000776719.PUBCHEM 000776719.mol (via Jmol)
000776722.b3lyp_6-31g(d).inp

000776722.b3lyp_6-31g(d).qchem.inp (generated)

000776722.b3lyp_6-31g(d).gjf (generated)

000776722.b3lyp_6-31g(d).firefly.inp (generated)

000776722.b3lyp_6-31g(d).smash.inp (generated)

000776722.b3lyp_6-31g(d).nwchem.inp (generated) 000776722.b3lyp_6-31g(d).log.xz 000776722.td-b3lyp_6-31g+(d).inp 000776722.td-b3lyp_6-31g+(d).log.xz

000776722.td-b3lyp_6-31+g(d).qchem.inp (generated)

000776722.td-b3lyp_6-31+g(d).gjf (generated)

000776722.td-b3lyp_6-31+g(d).firefly.inp (generated)

000776722.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000776722.mol 000776722.PUBCHEM 000776722.mol (via Jmol)
000776738.b3lyp_6-31g(d).inp

000776738.b3lyp_6-31g(d).qchem.inp (generated)

000776738.b3lyp_6-31g(d).gjf (generated)

000776738.b3lyp_6-31g(d).firefly.inp (generated)

000776738.b3lyp_6-31g(d).smash.inp (generated)

000776738.b3lyp_6-31g(d).nwchem.inp (generated) 000776738.b3lyp_6-31g(d).log.xz 000776738.td-b3lyp_6-31g+(d).inp 000776738.td-b3lyp_6-31g+(d).log.xz

000776738.td-b3lyp_6-31+g(d).qchem.inp (generated)

000776738.td-b3lyp_6-31+g(d).gjf (generated)

000776738.td-b3lyp_6-31+g(d).firefly.inp (generated)

000776738.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000776738.mol 000776738.PUBCHEM 000776738.mol (via Jmol)
000776741.b3lyp_6-31g(d).inp

000776741.b3lyp_6-31g(d).qchem.inp (generated)

000776741.b3lyp_6-31g(d).gjf (generated)

000776741.b3lyp_6-31g(d).firefly.inp (generated)

000776741.b3lyp_6-31g(d).smash.inp (generated)

000776741.b3lyp_6-31g(d).nwchem.inp (generated) 000776741.b3lyp_6-31g(d).log.xz 000776741.td-b3lyp_6-31g+(d).inp 000776741.td-b3lyp_6-31g+(d).log.xz

000776741.td-b3lyp_6-31+g(d).qchem.inp (generated)

000776741.td-b3lyp_6-31+g(d).gjf (generated)

000776741.td-b3lyp_6-31+g(d).firefly.inp (generated)

000776741.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000776741.mol 000776741.PUBCHEM 000776741.mol (via Jmol)
000776745.b3lyp_6-31g(d).inp

000776745.b3lyp_6-31g(d).qchem.inp (generated)

000776745.b3lyp_6-31g(d).gjf (generated)

000776745.b3lyp_6-31g(d).firefly.inp (generated)

000776745.b3lyp_6-31g(d).smash.inp (generated)

000776745.b3lyp_6-31g(d).nwchem.inp (generated) 000776745.b3lyp_6-31g(d).log.xz 000776745.td-b3lyp_6-31g+(d).inp 000776745.td-b3lyp_6-31g+(d).log.xz

000776745.td-b3lyp_6-31+g(d).qchem.inp (generated)

000776745.td-b3lyp_6-31+g(d).gjf (generated)

000776745.td-b3lyp_6-31+g(d).firefly.inp (generated)

000776745.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000776745.mol 000776745.PUBCHEM 000776745.mol (via Jmol)
000776747.b3lyp_6-31g(d).inp

000776747.b3lyp_6-31g(d).qchem.inp (generated)

000776747.b3lyp_6-31g(d).gjf (generated)

000776747.b3lyp_6-31g(d).firefly.inp (generated)

000776747.b3lyp_6-31g(d).smash.inp (generated)

000776747.b3lyp_6-31g(d).nwchem.inp (generated) 000776747.b3lyp_6-31g(d).log.xz 000776747.td-b3lyp_6-31g+(d).inp 000776747.td-b3lyp_6-31g+(d).log.xz

000776747.td-b3lyp_6-31+g(d).qchem.inp (generated)

000776747.td-b3lyp_6-31+g(d).gjf (generated)

000776747.td-b3lyp_6-31+g(d).firefly.inp (generated)

000776747.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000776747.mol 000776747.PUBCHEM 000776747.mol (via Jmol)
000776750.b3lyp_6-31g(d).inp

000776750.b3lyp_6-31g(d).qchem.inp (generated)

000776750.b3lyp_6-31g(d).gjf (generated)

000776750.b3lyp_6-31g(d).firefly.inp (generated)

000776750.b3lyp_6-31g(d).smash.inp (generated)

000776750.b3lyp_6-31g(d).nwchem.inp (generated) 000776750.b3lyp_6-31g(d).log.xz 000776750.td-b3lyp_6-31g+(d).inp 000776750.td-b3lyp_6-31g+(d).log.xz

000776750.td-b3lyp_6-31+g(d).qchem.inp (generated)

000776750.td-b3lyp_6-31+g(d).gjf (generated)

000776750.td-b3lyp_6-31+g(d).firefly.inp (generated)

000776750.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000776750.mol 000776750.PUBCHEM 000776750.mol (via Jmol)
000776757.b3lyp_6-31g(d).inp

000776757.b3lyp_6-31g(d).qchem.inp (generated)

000776757.b3lyp_6-31g(d).gjf (generated)

000776757.b3lyp_6-31g(d).firefly.inp (generated)

000776757.b3lyp_6-31g(d).smash.inp (generated)

000776757.b3lyp_6-31g(d).nwchem.inp (generated) 000776757.b3lyp_6-31g(d).log.xz 000776757.td-b3lyp_6-31g+(d).inp 000776757.td-b3lyp_6-31g+(d).log.xz

000776757.td-b3lyp_6-31+g(d).qchem.inp (generated)

000776757.td-b3lyp_6-31+g(d).gjf (generated)

000776757.td-b3lyp_6-31+g(d).firefly.inp (generated)

000776757.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000776757.mol 000776757.PUBCHEM 000776757.mol (via Jmol)
000776764.b3lyp_6-31g(d).inp

000776764.b3lyp_6-31g(d).qchem.inp (generated)

000776764.b3lyp_6-31g(d).gjf (generated)

000776764.b3lyp_6-31g(d).firefly.inp (generated)

000776764.b3lyp_6-31g(d).smash.inp (generated)

000776764.b3lyp_6-31g(d).nwchem.inp (generated) 000776764.b3lyp_6-31g(d).log.xz 000776764.td-b3lyp_6-31g+(d).inp 000776764.td-b3lyp_6-31g+(d).log.xz

000776764.td-b3lyp_6-31+g(d).qchem.inp (generated)

000776764.td-b3lyp_6-31+g(d).gjf (generated)

000776764.td-b3lyp_6-31+g(d).firefly.inp (generated)

000776764.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000776764.mol 000776764.PUBCHEM 000776764.mol (via Jmol)
000776766.b3lyp_6-31g(d).inp

000776766.b3lyp_6-31g(d).qchem.inp (generated)

000776766.b3lyp_6-31g(d).gjf (generated)

000776766.b3lyp_6-31g(d).firefly.inp (generated)

000776766.b3lyp_6-31g(d).smash.inp (generated)

000776766.b3lyp_6-31g(d).nwchem.inp (generated) 000776766.b3lyp_6-31g(d).log.xz 000776766.td-b3lyp_6-31g+(d).inp 000776766.td-b3lyp_6-31g+(d).log.xz

000776766.td-b3lyp_6-31+g(d).qchem.inp (generated)

000776766.td-b3lyp_6-31+g(d).gjf (generated)

000776766.td-b3lyp_6-31+g(d).firefly.inp (generated)

000776766.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000776766.mol 000776766.PUBCHEM 000776766.mol (via Jmol)
000776805.b3lyp_6-31g(d).inp

000776805.b3lyp_6-31g(d).qchem.inp (generated)

000776805.b3lyp_6-31g(d).gjf (generated)

000776805.b3lyp_6-31g(d).firefly.inp (generated)

000776805.b3lyp_6-31g(d).smash.inp (generated)

000776805.b3lyp_6-31g(d).nwchem.inp (generated) 000776805.b3lyp_6-31g(d).log.xz 000776805.td-b3lyp_6-31g+(d).inp 000776805.td-b3lyp_6-31g+(d).log.xz

000776805.td-b3lyp_6-31+g(d).qchem.inp (generated)

000776805.td-b3lyp_6-31+g(d).gjf (generated)

000776805.td-b3lyp_6-31+g(d).firefly.inp (generated)

000776805.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000776805.mol 000776805.PUBCHEM 000776805.mol (via Jmol)
000776813.b3lyp_6-31g(d).inp

000776813.b3lyp_6-31g(d).qchem.inp (generated)

000776813.b3lyp_6-31g(d).gjf (generated)

000776813.b3lyp_6-31g(d).firefly.inp (generated)

000776813.b3lyp_6-31g(d).smash.inp (generated)

000776813.b3lyp_6-31g(d).nwchem.inp (generated) 000776813.b3lyp_6-31g(d).log.xz 000776813.mol 000776813.PUBCHEM 000776813.mol (via Jmol)
000776815.b3lyp_6-31g(d).inp

000776815.b3lyp_6-31g(d).qchem.inp (generated)

000776815.b3lyp_6-31g(d).gjf (generated)

000776815.b3lyp_6-31g(d).firefly.inp (generated)

000776815.b3lyp_6-31g(d).smash.inp (generated)

000776815.b3lyp_6-31g(d).nwchem.inp (generated) 000776815.b3lyp_6-31g(d).log.xz 000776815.td-b3lyp_6-31g+(d).inp 000776815.td-b3lyp_6-31g+(d).log.xz

000776815.td-b3lyp_6-31+g(d).qchem.inp (generated)

000776815.td-b3lyp_6-31+g(d).gjf (generated)

000776815.td-b3lyp_6-31+g(d).firefly.inp (generated)

000776815.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000776815.mol 000776815.PUBCHEM 000776815.mol (via Jmol)
000776826.b3lyp_6-31g(d).inp

000776826.b3lyp_6-31g(d).qchem.inp (generated)

000776826.b3lyp_6-31g(d).gjf (generated)

000776826.b3lyp_6-31g(d).firefly.inp (generated)

000776826.b3lyp_6-31g(d).smash.inp (generated)

000776826.b3lyp_6-31g(d).nwchem.inp (generated) 000776826.b3lyp_6-31g(d).log.xz 000776826.td-b3lyp_6-31g+(d).inp 000776826.td-b3lyp_6-31g+(d).log.xz

000776826.td-b3lyp_6-31+g(d).qchem.inp (generated)

000776826.td-b3lyp_6-31+g(d).gjf (generated)

000776826.td-b3lyp_6-31+g(d).firefly.inp (generated)

000776826.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000776826.mol 000776826.PUBCHEM 000776826.mol (via Jmol)
000776830.b3lyp_6-31g(d).inp

000776830.b3lyp_6-31g(d).qchem.inp (generated)

000776830.b3lyp_6-31g(d).gjf (generated)

000776830.b3lyp_6-31g(d).firefly.inp (generated)

000776830.b3lyp_6-31g(d).smash.inp (generated)

000776830.b3lyp_6-31g(d).nwchem.inp (generated) 000776830.b3lyp_6-31g(d).log.xz 000776830.td-b3lyp_6-31g+(d).inp 000776830.td-b3lyp_6-31g+(d).log.xz

000776830.td-b3lyp_6-31+g(d).qchem.inp (generated)

000776830.td-b3lyp_6-31+g(d).gjf (generated)

000776830.td-b3lyp_6-31+g(d).firefly.inp (generated)

000776830.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000776830.mol 000776830.PUBCHEM 000776830.mol (via Jmol)
000776831.b3lyp_6-31g(d).inp

000776831.b3lyp_6-31g(d).qchem.inp (generated)

000776831.b3lyp_6-31g(d).gjf (generated)

000776831.b3lyp_6-31g(d).firefly.inp (generated)

000776831.b3lyp_6-31g(d).smash.inp (generated)

000776831.b3lyp_6-31g(d).nwchem.inp (generated) 000776831.b3lyp_6-31g(d).log.xz 000776831.td-b3lyp_6-31g+(d).inp 000776831.td-b3lyp_6-31g+(d).log.xz

000776831.td-b3lyp_6-31+g(d).qchem.inp (generated)

000776831.td-b3lyp_6-31+g(d).gjf (generated)

000776831.td-b3lyp_6-31+g(d).firefly.inp (generated)

000776831.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000776831.mol 000776831.PUBCHEM 000776831.mol (via Jmol)
000776832.b3lyp_6-31g(d).inp

000776832.b3lyp_6-31g(d).qchem.inp (generated)

000776832.b3lyp_6-31g(d).gjf (generated)

000776832.b3lyp_6-31g(d).firefly.inp (generated)

000776832.b3lyp_6-31g(d).smash.inp (generated)

000776832.b3lyp_6-31g(d).nwchem.inp (generated) 000776832.b3lyp_6-31g(d).log.xz 000776832.td-b3lyp_6-31g+(d).inp 000776832.td-b3lyp_6-31g+(d).log.xz

000776832.td-b3lyp_6-31+g(d).qchem.inp (generated)

000776832.td-b3lyp_6-31+g(d).gjf (generated)

000776832.td-b3lyp_6-31+g(d).firefly.inp (generated)

000776832.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000776832.mol 000776832.PUBCHEM 000776832.mol (via Jmol)
000776833.b3lyp_6-31g(d).inp

000776833.b3lyp_6-31g(d).qchem.inp (generated)

000776833.b3lyp_6-31g(d).gjf (generated)

000776833.b3lyp_6-31g(d).firefly.inp (generated)

000776833.b3lyp_6-31g(d).smash.inp (generated)

000776833.b3lyp_6-31g(d).nwchem.inp (generated) 000776833.b3lyp_6-31g(d).log.xz 000776833.td-b3lyp_6-31g+(d).inp 000776833.td-b3lyp_6-31g+(d).log.xz

000776833.td-b3lyp_6-31+g(d).qchem.inp (generated)

000776833.td-b3lyp_6-31+g(d).gjf (generated)

000776833.td-b3lyp_6-31+g(d).firefly.inp (generated)

000776833.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000776833.mol 000776833.PUBCHEM 000776833.mol (via Jmol)
000776837.b3lyp_6-31g(d).inp

000776837.b3lyp_6-31g(d).qchem.inp (generated)

000776837.b3lyp_6-31g(d).gjf (generated)

000776837.b3lyp_6-31g(d).firefly.inp (generated)

000776837.b3lyp_6-31g(d).smash.inp (generated)

000776837.b3lyp_6-31g(d).nwchem.inp (generated) 000776837.b3lyp_6-31g(d).log.xz 000776837.td-b3lyp_6-31g+(d).inp 000776837.td-b3lyp_6-31g+(d).log.xz

000776837.td-b3lyp_6-31+g(d).qchem.inp (generated)

000776837.td-b3lyp_6-31+g(d).gjf (generated)

000776837.td-b3lyp_6-31+g(d).firefly.inp (generated)

000776837.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000776837.mol 000776837.PUBCHEM 000776837.mol (via Jmol)
000776839.b3lyp_6-31g(d).inp

000776839.b3lyp_6-31g(d).qchem.inp (generated)

000776839.b3lyp_6-31g(d).gjf (generated)

000776839.b3lyp_6-31g(d).firefly.inp (generated)

000776839.b3lyp_6-31g(d).smash.inp (generated)

000776839.b3lyp_6-31g(d).nwchem.inp (generated) 000776839.b3lyp_6-31g(d).log.xz 000776839.mol 000776839.PUBCHEM 000776839.mol (via Jmol)
000776840.b3lyp_6-31g(d).inp

000776840.b3lyp_6-31g(d).qchem.inp (generated)

000776840.b3lyp_6-31g(d).gjf (generated)

000776840.b3lyp_6-31g(d).firefly.inp (generated)

000776840.b3lyp_6-31g(d).smash.inp (generated)

000776840.b3lyp_6-31g(d).nwchem.inp (generated) 000776840.b3lyp_6-31g(d).log.xz 000776840.td-b3lyp_6-31g+(d).inp 000776840.td-b3lyp_6-31g+(d).log.xz

000776840.td-b3lyp_6-31+g(d).qchem.inp (generated)

000776840.td-b3lyp_6-31+g(d).gjf (generated)

000776840.td-b3lyp_6-31+g(d).firefly.inp (generated)

000776840.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000776840.mol 000776840.PUBCHEM 000776840.mol (via Jmol)
000776841.b3lyp_6-31g(d).inp

000776841.b3lyp_6-31g(d).qchem.inp (generated)

000776841.b3lyp_6-31g(d).gjf (generated)

000776841.b3lyp_6-31g(d).firefly.inp (generated)

000776841.b3lyp_6-31g(d).smash.inp (generated)

000776841.b3lyp_6-31g(d).nwchem.inp (generated) 000776841.b3lyp_6-31g(d).log.xz 000776841.td-b3lyp_6-31g+(d).inp 000776841.td-b3lyp_6-31g+(d).log.xz

000776841.td-b3lyp_6-31+g(d).qchem.inp (generated)

000776841.td-b3lyp_6-31+g(d).gjf (generated)

000776841.td-b3lyp_6-31+g(d).firefly.inp (generated)

000776841.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000776841.mol 000776841.PUBCHEM 000776841.mol (via Jmol)
000776843.b3lyp_6-31g(d).inp

000776843.b3lyp_6-31g(d).qchem.inp (generated)

000776843.b3lyp_6-31g(d).gjf (generated)

000776843.b3lyp_6-31g(d).firefly.inp (generated)

000776843.b3lyp_6-31g(d).smash.inp (generated)

000776843.b3lyp_6-31g(d).nwchem.inp (generated) 000776843.b3lyp_6-31g(d).log.xz 000776843.td-b3lyp_6-31g+(d).inp 000776843.td-b3lyp_6-31g+(d).log.xz

000776843.td-b3lyp_6-31+g(d).qchem.inp (generated)

000776843.td-b3lyp_6-31+g(d).gjf (generated)

000776843.td-b3lyp_6-31+g(d).firefly.inp (generated)

000776843.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000776843.mol 000776843.PUBCHEM 000776843.mol (via Jmol)
000776851.b3lyp_6-31g(d).inp

000776851.b3lyp_6-31g(d).qchem.inp (generated)

000776851.b3lyp_6-31g(d).gjf (generated)

000776851.b3lyp_6-31g(d).firefly.inp (generated)

000776851.b3lyp_6-31g(d).smash.inp (generated)

000776851.b3lyp_6-31g(d).nwchem.inp (generated) 000776851.b3lyp_6-31g(d).log.xz 000776851.td-b3lyp_6-31g+(d).inp 000776851.td-b3lyp_6-31g+(d).log.xz

000776851.td-b3lyp_6-31+g(d).qchem.inp (generated)

000776851.td-b3lyp_6-31+g(d).gjf (generated)

000776851.td-b3lyp_6-31+g(d).firefly.inp (generated)

000776851.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000776851.mol 000776851.PUBCHEM 000776851.mol (via Jmol)
000776855.b3lyp_6-31g(d).inp

000776855.b3lyp_6-31g(d).qchem.inp (generated)

000776855.b3lyp_6-31g(d).gjf (generated)

000776855.b3lyp_6-31g(d).firefly.inp (generated)

000776855.b3lyp_6-31g(d).smash.inp (generated)

000776855.b3lyp_6-31g(d).nwchem.inp (generated) 000776855.b3lyp_6-31g(d).log.xz 000776855.td-b3lyp_6-31g+(d).inp 000776855.td-b3lyp_6-31g+(d).log.xz

000776855.td-b3lyp_6-31+g(d).qchem.inp (generated)

000776855.td-b3lyp_6-31+g(d).gjf (generated)

000776855.td-b3lyp_6-31+g(d).firefly.inp (generated)

000776855.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000776855.mol 000776855.PUBCHEM 000776855.mol (via Jmol)
000776858.b3lyp_6-31g(d).inp

000776858.b3lyp_6-31g(d).qchem.inp (generated)

000776858.b3lyp_6-31g(d).gjf (generated)

000776858.b3lyp_6-31g(d).firefly.inp (generated)

000776858.b3lyp_6-31g(d).smash.inp (generated)

000776858.b3lyp_6-31g(d).nwchem.inp (generated) 000776858.b3lyp_6-31g(d).log.xz 000776858.td-b3lyp_6-31g+(d).inp 000776858.td-b3lyp_6-31g+(d).log.xz

000776858.td-b3lyp_6-31+g(d).qchem.inp (generated)

000776858.td-b3lyp_6-31+g(d).gjf (generated)

000776858.td-b3lyp_6-31+g(d).firefly.inp (generated)

000776858.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000776858.mol 000776858.PUBCHEM 000776858.mol (via Jmol)
000776859.b3lyp_6-31g(d).inp

000776859.b3lyp_6-31g(d).qchem.inp (generated)

000776859.b3lyp_6-31g(d).gjf (generated)

000776859.b3lyp_6-31g(d).firefly.inp (generated)

000776859.b3lyp_6-31g(d).smash.inp (generated)

000776859.b3lyp_6-31g(d).nwchem.inp (generated) 000776859.b3lyp_6-31g(d).log.xz 000776859.td-b3lyp_6-31g+(d).inp 000776859.td-b3lyp_6-31g+(d).log.xz

000776859.td-b3lyp_6-31+g(d).qchem.inp (generated)

000776859.td-b3lyp_6-31+g(d).gjf (generated)

000776859.td-b3lyp_6-31+g(d).firefly.inp (generated)

000776859.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000776859.mol 000776859.PUBCHEM 000776859.mol (via Jmol)
000776861.b3lyp_6-31g(d).inp

000776861.b3lyp_6-31g(d).qchem.inp (generated)

000776861.b3lyp_6-31g(d).gjf (generated)

000776861.b3lyp_6-31g(d).firefly.inp (generated)

000776861.b3lyp_6-31g(d).smash.inp (generated)

000776861.b3lyp_6-31g(d).nwchem.inp (generated) 000776861.b3lyp_6-31g(d).log.xz 000776861.td-b3lyp_6-31g+(d).inp 000776861.td-b3lyp_6-31g+(d).log.xz

000776861.td-b3lyp_6-31+g(d).qchem.inp (generated)

000776861.td-b3lyp_6-31+g(d).gjf (generated)

000776861.td-b3lyp_6-31+g(d).firefly.inp (generated)

000776861.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000776861.mol 000776861.PUBCHEM 000776861.mol (via Jmol)
000776870.b3lyp_6-31g(d).inp

000776870.b3lyp_6-31g(d).qchem.inp (generated)

000776870.b3lyp_6-31g(d).gjf (generated)

000776870.b3lyp_6-31g(d).firefly.inp (generated)

000776870.b3lyp_6-31g(d).smash.inp (generated)

000776870.b3lyp_6-31g(d).nwchem.inp (generated) 000776870.b3lyp_6-31g(d).log.xz 000776870.td-b3lyp_6-31g+(d).inp 000776870.td-b3lyp_6-31g+(d).log.xz

000776870.td-b3lyp_6-31+g(d).qchem.inp (generated)

000776870.td-b3lyp_6-31+g(d).gjf (generated)

000776870.td-b3lyp_6-31+g(d).firefly.inp (generated)

000776870.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000776870.mol 000776870.PUBCHEM 000776870.mol (via Jmol)
000776875.b3lyp_6-31g(d).inp

000776875.b3lyp_6-31g(d).qchem.inp (generated)

000776875.b3lyp_6-31g(d).gjf (generated)

000776875.b3lyp_6-31g(d).firefly.inp (generated)

000776875.b3lyp_6-31g(d).smash.inp (generated)

000776875.b3lyp_6-31g(d).nwchem.inp (generated) 000776875.b3lyp_6-31g(d).log.xz 000776875.td-b3lyp_6-31g+(d).inp 000776875.td-b3lyp_6-31g+(d).log.xz

000776875.td-b3lyp_6-31+g(d).qchem.inp (generated)

000776875.td-b3lyp_6-31+g(d).gjf (generated)

000776875.td-b3lyp_6-31+g(d).firefly.inp (generated)

000776875.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000776875.mol 000776875.PUBCHEM 000776875.mol (via Jmol)
000776878.b3lyp_6-31g(d).inp

000776878.b3lyp_6-31g(d).qchem.inp (generated)

000776878.b3lyp_6-31g(d).gjf (generated)

000776878.b3lyp_6-31g(d).firefly.inp (generated)

000776878.b3lyp_6-31g(d).smash.inp (generated)

000776878.b3lyp_6-31g(d).nwchem.inp (generated) 000776878.b3lyp_6-31g(d).log.xz 000776878.td-b3lyp_6-31g+(d).inp 000776878.td-b3lyp_6-31g+(d).log.xz

000776878.td-b3lyp_6-31+g(d).qchem.inp (generated)

000776878.td-b3lyp_6-31+g(d).gjf (generated)

000776878.td-b3lyp_6-31+g(d).firefly.inp (generated)

000776878.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000776878.mol 000776878.PUBCHEM 000776878.mol (via Jmol)
000776901.b3lyp_6-31g(d).inp

000776901.b3lyp_6-31g(d).qchem.inp (generated)

000776901.b3lyp_6-31g(d).gjf (generated)

000776901.b3lyp_6-31g(d).firefly.inp (generated)

000776901.b3lyp_6-31g(d).smash.inp (generated)

000776901.b3lyp_6-31g(d).nwchem.inp (generated) 000776901.b3lyp_6-31g(d).log.xz 000776901.td-b3lyp_6-31g+(d).inp 000776901.td-b3lyp_6-31g+(d).log.xz

000776901.td-b3lyp_6-31+g(d).qchem.inp (generated)

000776901.td-b3lyp_6-31+g(d).gjf (generated)

000776901.td-b3lyp_6-31+g(d).firefly.inp (generated)

000776901.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000776901.mol 000776901.PUBCHEM 000776901.mol (via Jmol)
000776902.b3lyp_6-31g(d).inp

000776902.b3lyp_6-31g(d).qchem.inp (generated)

000776902.b3lyp_6-31g(d).gjf (generated)

000776902.b3lyp_6-31g(d).firefly.inp (generated)

000776902.b3lyp_6-31g(d).smash.inp (generated)

000776902.b3lyp_6-31g(d).nwchem.inp (generated) 000776902.b3lyp_6-31g(d).log.xz 000776902.mol 000776902.PUBCHEM 000776902.mol (via Jmol)
000776913.b3lyp_6-31g(d).inp

000776913.b3lyp_6-31g(d).qchem.inp (generated)

000776913.b3lyp_6-31g(d).gjf (generated)

000776913.b3lyp_6-31g(d).firefly.inp (generated)

000776913.b3lyp_6-31g(d).smash.inp (generated)

000776913.b3lyp_6-31g(d).nwchem.inp (generated) 000776913.b3lyp_6-31g(d).log.xz 000776913.td-b3lyp_6-31g+(d).inp 000776913.td-b3lyp_6-31g+(d).log.xz

000776913.td-b3lyp_6-31+g(d).qchem.inp (generated)

000776913.td-b3lyp_6-31+g(d).gjf (generated)

000776913.td-b3lyp_6-31+g(d).firefly.inp (generated)

000776913.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000776913.mol 000776913.PUBCHEM 000776913.mol (via Jmol)
000776920.b3lyp_6-31g(d).inp

000776920.b3lyp_6-31g(d).qchem.inp (generated)

000776920.b3lyp_6-31g(d).gjf (generated)

000776920.b3lyp_6-31g(d).firefly.inp (generated)

000776920.b3lyp_6-31g(d).smash.inp (generated)

000776920.b3lyp_6-31g(d).nwchem.inp (generated) 000776920.b3lyp_6-31g(d).log.xz 000776920.td-b3lyp_6-31g+(d).inp 000776920.td-b3lyp_6-31g+(d).log.xz

000776920.td-b3lyp_6-31+g(d).qchem.inp (generated)

000776920.td-b3lyp_6-31+g(d).gjf (generated)

000776920.td-b3lyp_6-31+g(d).firefly.inp (generated)

000776920.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000776920.mol 000776920.PUBCHEM 000776920.mol (via Jmol)
000776983.b3lyp_6-31g(d).inp

000776983.b3lyp_6-31g(d).qchem.inp (generated)

000776983.b3lyp_6-31g(d).gjf (generated)

000776983.b3lyp_6-31g(d).firefly.inp (generated)

000776983.b3lyp_6-31g(d).smash.inp (generated)

000776983.b3lyp_6-31g(d).nwchem.inp (generated) 000776983.b3lyp_6-31g(d).log.xz 000776983.td-b3lyp_6-31g+(d).inp 000776983.td-b3lyp_6-31g+(d).log.xz

000776983.td-b3lyp_6-31+g(d).qchem.inp (generated)

000776983.td-b3lyp_6-31+g(d).gjf (generated)

000776983.td-b3lyp_6-31+g(d).firefly.inp (generated)

000776983.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000776983.mol 000776983.PUBCHEM 000776983.mol (via Jmol)
000776985.b3lyp_6-31g(d).inp

000776985.b3lyp_6-31g(d).qchem.inp (generated)

000776985.b3lyp_6-31g(d).gjf (generated)

000776985.b3lyp_6-31g(d).firefly.inp (generated)

000776985.b3lyp_6-31g(d).smash.inp (generated)

000776985.b3lyp_6-31g(d).nwchem.inp (generated) 000776985.b3lyp_6-31g(d).log.xz 000776985.td-b3lyp_6-31g+(d).inp 000776985.td-b3lyp_6-31g+(d).log.xz

000776985.td-b3lyp_6-31+g(d).qchem.inp (generated)

000776985.td-b3lyp_6-31+g(d).gjf (generated)

000776985.td-b3lyp_6-31+g(d).firefly.inp (generated)

000776985.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000776985.mol 000776985.PUBCHEM 000776985.mol (via Jmol)
000776989.b3lyp_6-31g(d).inp

000776989.b3lyp_6-31g(d).qchem.inp (generated)

000776989.b3lyp_6-31g(d).gjf (generated)

000776989.b3lyp_6-31g(d).firefly.inp (generated)

000776989.b3lyp_6-31g(d).smash.inp (generated)

000776989.b3lyp_6-31g(d).nwchem.inp (generated) 000776989.b3lyp_6-31g(d).log.xz 000776989.mol 000776989.PUBCHEM 000776989.mol (via Jmol)
000776998.b3lyp_6-31g(d).inp

000776998.b3lyp_6-31g(d).qchem.inp (generated)

000776998.b3lyp_6-31g(d).gjf (generated)

000776998.b3lyp_6-31g(d).firefly.inp (generated)

000776998.b3lyp_6-31g(d).smash.inp (generated)

000776998.b3lyp_6-31g(d).nwchem.inp (generated) 000776998.b3lyp_6-31g(d).log.xz 000776998.td-b3lyp_6-31g+(d).inp 000776998.td-b3lyp_6-31g+(d).log.xz

000776998.td-b3lyp_6-31+g(d).qchem.inp (generated)

000776998.td-b3lyp_6-31+g(d).gjf (generated)

000776998.td-b3lyp_6-31+g(d).firefly.inp (generated)

000776998.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000776998.mol 000776998.PUBCHEM 000776998.mol (via Jmol)
000777011.b3lyp_6-31g(d).inp

000777011.b3lyp_6-31g(d).qchem.inp (generated)

000777011.b3lyp_6-31g(d).gjf (generated)

000777011.b3lyp_6-31g(d).firefly.inp (generated)

000777011.b3lyp_6-31g(d).smash.inp (generated)

000777011.b3lyp_6-31g(d).nwchem.inp (generated) 000777011.b3lyp_6-31g(d).log.xz 000777011.td-b3lyp_6-31g+(d).inp 000777011.td-b3lyp_6-31g+(d).log.xz

000777011.td-b3lyp_6-31+g(d).qchem.inp (generated)

000777011.td-b3lyp_6-31+g(d).gjf (generated)

000777011.td-b3lyp_6-31+g(d).firefly.inp (generated)

000777011.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000777011.mol 000777011.PUBCHEM 000777011.mol (via Jmol)
000777013.b3lyp_6-31g(d).inp

000777013.b3lyp_6-31g(d).qchem.inp (generated)

000777013.b3lyp_6-31g(d).gjf (generated)

000777013.b3lyp_6-31g(d).firefly.inp (generated)

000777013.b3lyp_6-31g(d).smash.inp (generated)

000777013.b3lyp_6-31g(d).nwchem.inp (generated) 000777013.b3lyp_6-31g(d).log.xz 000777013.td-b3lyp_6-31g+(d).inp 000777013.td-b3lyp_6-31g+(d).log.xz

000777013.td-b3lyp_6-31+g(d).qchem.inp (generated)

000777013.td-b3lyp_6-31+g(d).gjf (generated)

000777013.td-b3lyp_6-31+g(d).firefly.inp (generated)

000777013.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000777013.mol 000777013.PUBCHEM 000777013.mol (via Jmol)
000777044.b3lyp_6-31g(d).inp

000777044.b3lyp_6-31g(d).qchem.inp (generated)

000777044.b3lyp_6-31g(d).gjf (generated)

000777044.b3lyp_6-31g(d).firefly.inp (generated)

000777044.b3lyp_6-31g(d).smash.inp (generated)

000777044.b3lyp_6-31g(d).nwchem.inp (generated) 000777044.b3lyp_6-31g(d).log.xz 000777044.td-b3lyp_6-31g+(d).inp 000777044.td-b3lyp_6-31g+(d).log.xz

000777044.td-b3lyp_6-31+g(d).qchem.inp (generated)

000777044.td-b3lyp_6-31+g(d).gjf (generated)

000777044.td-b3lyp_6-31+g(d).firefly.inp (generated)

000777044.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000777044.mol 000777044.PUBCHEM 000777044.mol (via Jmol)
000777051.b3lyp_6-31g(d).inp

000777051.b3lyp_6-31g(d).qchem.inp (generated)

000777051.b3lyp_6-31g(d).gjf (generated)

000777051.b3lyp_6-31g(d).firefly.inp (generated)

000777051.b3lyp_6-31g(d).smash.inp (generated)

000777051.b3lyp_6-31g(d).nwchem.inp (generated) 000777051.b3lyp_6-31g(d).log.xz 000777051.mol 000777051.PUBCHEM 000777051.mol (via Jmol)
000777087.b3lyp_6-31g(d).inp

000777087.b3lyp_6-31g(d).qchem.inp (generated)

000777087.b3lyp_6-31g(d).gjf (generated)

000777087.b3lyp_6-31g(d).firefly.inp (generated)

000777087.b3lyp_6-31g(d).smash.inp (generated)

000777087.b3lyp_6-31g(d).nwchem.inp (generated) 000777087.b3lyp_6-31g(d).log.xz 000777087.td-b3lyp_6-31g+(d).inp 000777087.td-b3lyp_6-31g+(d).log.xz

000777087.td-b3lyp_6-31+g(d).qchem.inp (generated)

000777087.td-b3lyp_6-31+g(d).gjf (generated)

000777087.td-b3lyp_6-31+g(d).firefly.inp (generated)

000777087.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000777087.mol 000777087.PUBCHEM 000777087.mol (via Jmol)
000777099.b3lyp_6-31g(d).inp

000777099.b3lyp_6-31g(d).qchem.inp (generated)

000777099.b3lyp_6-31g(d).gjf (generated)

000777099.b3lyp_6-31g(d).firefly.inp (generated)

000777099.b3lyp_6-31g(d).smash.inp (generated)

000777099.b3lyp_6-31g(d).nwchem.inp (generated) 000777099.b3lyp_6-31g(d).log.xz 000777099.td-b3lyp_6-31g+(d).inp 000777099.td-b3lyp_6-31g+(d).log.xz

000777099.td-b3lyp_6-31+g(d).qchem.inp (generated)

000777099.td-b3lyp_6-31+g(d).gjf (generated)

000777099.td-b3lyp_6-31+g(d).firefly.inp (generated)

000777099.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000777099.mol 000777099.PUBCHEM 000777099.mol (via Jmol)
000777107.b3lyp_6-31g(d).inp

000777107.b3lyp_6-31g(d).qchem.inp (generated)

000777107.b3lyp_6-31g(d).gjf (generated)

000777107.b3lyp_6-31g(d).firefly.inp (generated)

000777107.b3lyp_6-31g(d).smash.inp (generated)

000777107.b3lyp_6-31g(d).nwchem.inp (generated) 000777107.b3lyp_6-31g(d).log.xz 000777107.mol 000777107.PUBCHEM 000777107.mol (via Jmol)
000777109.b3lyp_6-31g(d).inp

000777109.b3lyp_6-31g(d).qchem.inp (generated)

000777109.b3lyp_6-31g(d).gjf (generated)

000777109.b3lyp_6-31g(d).firefly.inp (generated)

000777109.b3lyp_6-31g(d).smash.inp (generated)

000777109.b3lyp_6-31g(d).nwchem.inp (generated) 000777109.b3lyp_6-31g(d).log.xz 000777109.mol 000777109.PUBCHEM 000777109.mol (via Jmol)
000777110.b3lyp_6-31g(d).inp

000777110.b3lyp_6-31g(d).qchem.inp (generated)

000777110.b3lyp_6-31g(d).gjf (generated)

000777110.b3lyp_6-31g(d).firefly.inp (generated)

000777110.b3lyp_6-31g(d).smash.inp (generated)

000777110.b3lyp_6-31g(d).nwchem.inp (generated) 000777110.b3lyp_6-31g(d).log.xz 000777110.td-b3lyp_6-31g+(d).inp 000777110.td-b3lyp_6-31g+(d).log.xz

000777110.td-b3lyp_6-31+g(d).qchem.inp (generated)

000777110.td-b3lyp_6-31+g(d).gjf (generated)

000777110.td-b3lyp_6-31+g(d).firefly.inp (generated)

000777110.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000777110.mol 000777110.PUBCHEM 000777110.mol (via Jmol)
000777119.b3lyp_6-31g(d).inp

000777119.b3lyp_6-31g(d).qchem.inp (generated)

000777119.b3lyp_6-31g(d).gjf (generated)

000777119.b3lyp_6-31g(d).firefly.inp (generated)

000777119.b3lyp_6-31g(d).smash.inp (generated)

000777119.b3lyp_6-31g(d).nwchem.inp (generated) 000777119.b3lyp_6-31g(d).log.xz 000777119.td-b3lyp_6-31g+(d).inp 000777119.td-b3lyp_6-31g+(d).log.xz

000777119.td-b3lyp_6-31+g(d).qchem.inp (generated)

000777119.td-b3lyp_6-31+g(d).gjf (generated)

000777119.td-b3lyp_6-31+g(d).firefly.inp (generated)

000777119.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000777119.mol 000777119.PUBCHEM 000777119.mol (via Jmol)
000777125.b3lyp_6-31g(d).inp

000777125.b3lyp_6-31g(d).qchem.inp (generated)

000777125.b3lyp_6-31g(d).gjf (generated)

000777125.b3lyp_6-31g(d).firefly.inp (generated)

000777125.b3lyp_6-31g(d).smash.inp (generated)

000777125.b3lyp_6-31g(d).nwchem.inp (generated) 000777125.b3lyp_6-31g(d).log.xz 000777125.td-b3lyp_6-31g+(d).inp 000777125.td-b3lyp_6-31g+(d).log.xz

000777125.td-b3lyp_6-31+g(d).qchem.inp (generated)

000777125.td-b3lyp_6-31+g(d).gjf (generated)

000777125.td-b3lyp_6-31+g(d).firefly.inp (generated)

000777125.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000777125.mol 000777125.PUBCHEM 000777125.mol (via Jmol)
000777127.b3lyp_6-31g(d).inp

000777127.b3lyp_6-31g(d).qchem.inp (generated)

000777127.b3lyp_6-31g(d).gjf (generated)

000777127.b3lyp_6-31g(d).firefly.inp (generated)

000777127.b3lyp_6-31g(d).smash.inp (generated)

000777127.b3lyp_6-31g(d).nwchem.inp (generated) 000777127.b3lyp_6-31g(d).log.xz 000777127.td-b3lyp_6-31g+(d).inp 000777127.td-b3lyp_6-31g+(d).log.xz

000777127.td-b3lyp_6-31+g(d).qchem.inp (generated)

000777127.td-b3lyp_6-31+g(d).gjf (generated)

000777127.td-b3lyp_6-31+g(d).firefly.inp (generated)

000777127.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000777127.mol 000777127.PUBCHEM 000777127.mol (via Jmol)
000777130.b3lyp_6-31g(d).inp

000777130.b3lyp_6-31g(d).qchem.inp (generated)

000777130.b3lyp_6-31g(d).gjf (generated)

000777130.b3lyp_6-31g(d).firefly.inp (generated)

000777130.b3lyp_6-31g(d).smash.inp (generated)

000777130.b3lyp_6-31g(d).nwchem.inp (generated) 000777130.b3lyp_6-31g(d).log.xz 000777130.mol 000777130.PUBCHEM 000777130.mol (via Jmol)
000777132.b3lyp_6-31g(d).inp

000777132.b3lyp_6-31g(d).qchem.inp (generated)

000777132.b3lyp_6-31g(d).gjf (generated)

000777132.b3lyp_6-31g(d).firefly.inp (generated)

000777132.b3lyp_6-31g(d).smash.inp (generated)

000777132.b3lyp_6-31g(d).nwchem.inp (generated) 000777132.b3lyp_6-31g(d).log.xz 000777132.mol 000777132.PUBCHEM 000777132.mol (via Jmol)
000777155.b3lyp_6-31g(d).inp

000777155.b3lyp_6-31g(d).qchem.inp (generated)

000777155.b3lyp_6-31g(d).gjf (generated)

000777155.b3lyp_6-31g(d).firefly.inp (generated)

000777155.b3lyp_6-31g(d).smash.inp (generated)

000777155.b3lyp_6-31g(d).nwchem.inp (generated) 000777155.b3lyp_6-31g(d).log.xz 000777155.td-b3lyp_6-31g+(d).inp 000777155.td-b3lyp_6-31g+(d).log.xz

000777155.td-b3lyp_6-31+g(d).qchem.inp (generated)

000777155.td-b3lyp_6-31+g(d).gjf (generated)

000777155.td-b3lyp_6-31+g(d).firefly.inp (generated)

000777155.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000777155.mol 000777155.PUBCHEM 000777155.mol (via Jmol)
000777156.b3lyp_6-31g(d).inp

000777156.b3lyp_6-31g(d).qchem.inp (generated)

000777156.b3lyp_6-31g(d).gjf (generated)

000777156.b3lyp_6-31g(d).firefly.inp (generated)

000777156.b3lyp_6-31g(d).smash.inp (generated)

000777156.b3lyp_6-31g(d).nwchem.inp (generated) 000777156.b3lyp_6-31g(d).log.xz 000777156.td-b3lyp_6-31g+(d).inp 000777156.td-b3lyp_6-31g+(d).log.xz

000777156.td-b3lyp_6-31+g(d).qchem.inp (generated)

000777156.td-b3lyp_6-31+g(d).gjf (generated)

000777156.td-b3lyp_6-31+g(d).firefly.inp (generated)

000777156.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000777156.mol 000777156.PUBCHEM 000777156.mol (via Jmol)
000777157.b3lyp_6-31g(d).inp

000777157.b3lyp_6-31g(d).qchem.inp (generated)

000777157.b3lyp_6-31g(d).gjf (generated)

000777157.b3lyp_6-31g(d).firefly.inp (generated)

000777157.b3lyp_6-31g(d).smash.inp (generated)

000777157.b3lyp_6-31g(d).nwchem.inp (generated) 000777157.b3lyp_6-31g(d).log.xz 000777157.td-b3lyp_6-31g+(d).inp 000777157.td-b3lyp_6-31g+(d).log.xz

000777157.td-b3lyp_6-31+g(d).qchem.inp (generated)

000777157.td-b3lyp_6-31+g(d).gjf (generated)

000777157.td-b3lyp_6-31+g(d).firefly.inp (generated)

000777157.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000777157.mol 000777157.PUBCHEM 000777157.mol (via Jmol)
000777168.b3lyp_6-31g(d).inp

000777168.b3lyp_6-31g(d).qchem.inp (generated)

000777168.b3lyp_6-31g(d).gjf (generated)

000777168.b3lyp_6-31g(d).firefly.inp (generated)

000777168.b3lyp_6-31g(d).smash.inp (generated)

000777168.b3lyp_6-31g(d).nwchem.inp (generated) 000777168.b3lyp_6-31g(d).log.xz 000777168.td-b3lyp_6-31g+(d).inp 000777168.td-b3lyp_6-31g+(d).log.xz

000777168.td-b3lyp_6-31+g(d).qchem.inp (generated)

000777168.td-b3lyp_6-31+g(d).gjf (generated)

000777168.td-b3lyp_6-31+g(d).firefly.inp (generated)

000777168.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000777168.mol 000777168.PUBCHEM 000777168.mol (via Jmol)
000777169.b3lyp_6-31g(d).inp

000777169.b3lyp_6-31g(d).qchem.inp (generated)

000777169.b3lyp_6-31g(d).gjf (generated)

000777169.b3lyp_6-31g(d).firefly.inp (generated)

000777169.b3lyp_6-31g(d).smash.inp (generated)

000777169.b3lyp_6-31g(d).nwchem.inp (generated) 000777169.b3lyp_6-31g(d).log.xz 000777169.td-b3lyp_6-31g+(d).inp 000777169.td-b3lyp_6-31g+(d).log.xz

000777169.td-b3lyp_6-31+g(d).qchem.inp (generated)

000777169.td-b3lyp_6-31+g(d).gjf (generated)

000777169.td-b3lyp_6-31+g(d).firefly.inp (generated)

000777169.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000777169.mol 000777169.PUBCHEM 000777169.mol (via Jmol)
000777176.b3lyp_6-31g(d).inp

000777176.b3lyp_6-31g(d).qchem.inp (generated)

000777176.b3lyp_6-31g(d).gjf (generated)

000777176.b3lyp_6-31g(d).firefly.inp (generated)

000777176.b3lyp_6-31g(d).smash.inp (generated)

000777176.b3lyp_6-31g(d).nwchem.inp (generated) 000777176.b3lyp_6-31g(d).log.xz 000777176.td-b3lyp_6-31g+(d).inp 000777176.td-b3lyp_6-31g+(d).log.xz

000777176.td-b3lyp_6-31+g(d).qchem.inp (generated)

000777176.td-b3lyp_6-31+g(d).gjf (generated)

000777176.td-b3lyp_6-31+g(d).firefly.inp (generated)

000777176.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000777176.mol 000777176.PUBCHEM 000777176.mol (via Jmol)
000777234.b3lyp_6-31g(d).inp

000777234.b3lyp_6-31g(d).qchem.inp (generated)

000777234.b3lyp_6-31g(d).gjf (generated)

000777234.b3lyp_6-31g(d).firefly.inp (generated)

000777234.b3lyp_6-31g(d).smash.inp (generated)

000777234.b3lyp_6-31g(d).nwchem.inp (generated) 000777234.b3lyp_6-31g(d).log.xz 000777234.td-b3lyp_6-31g+(d).inp 000777234.td-b3lyp_6-31g+(d).log.xz

000777234.td-b3lyp_6-31+g(d).qchem.inp (generated)

000777234.td-b3lyp_6-31+g(d).gjf (generated)

000777234.td-b3lyp_6-31+g(d).firefly.inp (generated)

000777234.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000777234.mol 000777234.PUBCHEM 000777234.mol (via Jmol)
000777239.b3lyp_6-31g(d).inp

000777239.b3lyp_6-31g(d).qchem.inp (generated)

000777239.b3lyp_6-31g(d).gjf (generated)

000777239.b3lyp_6-31g(d).firefly.inp (generated)

000777239.b3lyp_6-31g(d).smash.inp (generated)

000777239.b3lyp_6-31g(d).nwchem.inp (generated) 000777239.b3lyp_6-31g(d).log.xz 000777239.td-b3lyp_6-31g+(d).inp 000777239.td-b3lyp_6-31g+(d).log.xz

000777239.td-b3lyp_6-31+g(d).qchem.inp (generated)

000777239.td-b3lyp_6-31+g(d).gjf (generated)

000777239.td-b3lyp_6-31+g(d).firefly.inp (generated)

000777239.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000777239.mol 000777239.PUBCHEM 000777239.mol (via Jmol)
000777240.b3lyp_6-31g(d).inp

000777240.b3lyp_6-31g(d).qchem.inp (generated)

000777240.b3lyp_6-31g(d).gjf (generated)

000777240.b3lyp_6-31g(d).firefly.inp (generated)

000777240.b3lyp_6-31g(d).smash.inp (generated)

000777240.b3lyp_6-31g(d).nwchem.inp (generated) 000777240.b3lyp_6-31g(d).log.xz 000777240.mol 000777240.PUBCHEM 000777240.mol (via Jmol)
000777243.b3lyp_6-31g(d).inp

000777243.b3lyp_6-31g(d).qchem.inp (generated)

000777243.b3lyp_6-31g(d).gjf (generated)

000777243.b3lyp_6-31g(d).firefly.inp (generated)

000777243.b3lyp_6-31g(d).smash.inp (generated)

000777243.b3lyp_6-31g(d).nwchem.inp (generated) 000777243.b3lyp_6-31g(d).log.xz 000777243.mol 000777243.PUBCHEM 000777243.mol (via Jmol)
000777248.b3lyp_6-31g(d).inp

000777248.b3lyp_6-31g(d).qchem.inp (generated)

000777248.b3lyp_6-31g(d).gjf (generated)

000777248.b3lyp_6-31g(d).firefly.inp (generated)

000777248.b3lyp_6-31g(d).smash.inp (generated)

000777248.b3lyp_6-31g(d).nwchem.inp (generated) 000777248.b3lyp_6-31g(d).log.xz 000777248.td-b3lyp_6-31g+(d).inp 000777248.td-b3lyp_6-31g+(d).log.xz

000777248.td-b3lyp_6-31+g(d).qchem.inp (generated)

000777248.td-b3lyp_6-31+g(d).gjf (generated)

000777248.td-b3lyp_6-31+g(d).firefly.inp (generated)

000777248.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000777248.mol 000777248.PUBCHEM 000777248.mol (via Jmol)
000777250.b3lyp_6-31g(d).inp

000777250.b3lyp_6-31g(d).qchem.inp (generated)

000777250.b3lyp_6-31g(d).gjf (generated)

000777250.b3lyp_6-31g(d).firefly.inp (generated)

000777250.b3lyp_6-31g(d).smash.inp (generated)

000777250.b3lyp_6-31g(d).nwchem.inp (generated) 000777250.b3lyp_6-31g(d).log.xz 000777250.td-b3lyp_6-31g+(d).inp 000777250.td-b3lyp_6-31g+(d).log.xz

000777250.td-b3lyp_6-31+g(d).qchem.inp (generated)

000777250.td-b3lyp_6-31+g(d).gjf (generated)

000777250.td-b3lyp_6-31+g(d).firefly.inp (generated)

000777250.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000777250.mol 000777250.PUBCHEM 000777250.mol (via Jmol)
000777277.b3lyp_6-31g(d).inp

000777277.b3lyp_6-31g(d).qchem.inp (generated)

000777277.b3lyp_6-31g(d).gjf (generated)

000777277.b3lyp_6-31g(d).firefly.inp (generated)

000777277.b3lyp_6-31g(d).smash.inp (generated)

000777277.b3lyp_6-31g(d).nwchem.inp (generated) 000777277.b3lyp_6-31g(d).log.xz 000777277.td-b3lyp_6-31g+(d).inp 000777277.td-b3lyp_6-31g+(d).log.xz

000777277.td-b3lyp_6-31+g(d).qchem.inp (generated)

000777277.td-b3lyp_6-31+g(d).gjf (generated)

000777277.td-b3lyp_6-31+g(d).firefly.inp (generated)

000777277.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000777277.mol 000777277.PUBCHEM 000777277.mol (via Jmol)
000777282.b3lyp_6-31g(d).inp

000777282.b3lyp_6-31g(d).qchem.inp (generated)

000777282.b3lyp_6-31g(d).gjf (generated)

000777282.b3lyp_6-31g(d).firefly.inp (generated)

000777282.b3lyp_6-31g(d).smash.inp (generated)

000777282.b3lyp_6-31g(d).nwchem.inp (generated) 000777282.b3lyp_6-31g(d).log.xz 000777282.mol 000777282.PUBCHEM 000777282.mol (via Jmol)
000777293.b3lyp_6-31g(d).inp

000777293.b3lyp_6-31g(d).qchem.inp (generated)

000777293.b3lyp_6-31g(d).gjf (generated)

000777293.b3lyp_6-31g(d).firefly.inp (generated)

000777293.b3lyp_6-31g(d).smash.inp (generated)

000777293.b3lyp_6-31g(d).nwchem.inp (generated) 000777293.b3lyp_6-31g(d).log.xz 000777293.mol 000777293.PUBCHEM 000777293.mol (via Jmol)
000777304.b3lyp_6-31g(d).inp

000777304.b3lyp_6-31g(d).qchem.inp (generated)

000777304.b3lyp_6-31g(d).gjf (generated)

000777304.b3lyp_6-31g(d).firefly.inp (generated)

000777304.b3lyp_6-31g(d).smash.inp (generated)

000777304.b3lyp_6-31g(d).nwchem.inp (generated) 000777304.b3lyp_6-31g(d).log.xz 000777304.td-b3lyp_6-31g+(d).inp 000777304.td-b3lyp_6-31g+(d).log.xz

000777304.td-b3lyp_6-31+g(d).qchem.inp (generated)

000777304.td-b3lyp_6-31+g(d).gjf (generated)

000777304.td-b3lyp_6-31+g(d).firefly.inp (generated)

000777304.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000777304.mol 000777304.PUBCHEM 000777304.mol (via Jmol)
000777323.b3lyp_6-31g(d).inp

000777323.b3lyp_6-31g(d).qchem.inp (generated)

000777323.b3lyp_6-31g(d).gjf (generated)

000777323.b3lyp_6-31g(d).firefly.inp (generated)

000777323.b3lyp_6-31g(d).smash.inp (generated)

000777323.b3lyp_6-31g(d).nwchem.inp (generated) 000777323.b3lyp_6-31g(d).log.xz 000777323.td-b3lyp_6-31g+(d).inp 000777323.td-b3lyp_6-31g+(d).log.xz

000777323.td-b3lyp_6-31+g(d).qchem.inp (generated)

000777323.td-b3lyp_6-31+g(d).gjf (generated)

000777323.td-b3lyp_6-31+g(d).firefly.inp (generated)

000777323.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000777323.mol 000777323.PUBCHEM 000777323.mol (via Jmol)
000777340.b3lyp_6-31g(d).inp

000777340.b3lyp_6-31g(d).qchem.inp (generated)

000777340.b3lyp_6-31g(d).gjf (generated)

000777340.b3lyp_6-31g(d).firefly.inp (generated)

000777340.b3lyp_6-31g(d).smash.inp (generated)

000777340.b3lyp_6-31g(d).nwchem.inp (generated) 000777340.b3lyp_6-31g(d).log.xz 000777340.mol 000777340.PUBCHEM 000777340.mol (via Jmol)
000777375.b3lyp_6-31g(d).inp

000777375.b3lyp_6-31g(d).qchem.inp (generated)

000777375.b3lyp_6-31g(d).gjf (generated)

000777375.b3lyp_6-31g(d).firefly.inp (generated)

000777375.b3lyp_6-31g(d).smash.inp (generated)

000777375.b3lyp_6-31g(d).nwchem.inp (generated) 000777375.b3lyp_6-31g(d).log.xz 000777375.td-b3lyp_6-31g+(d).inp 000777375.td-b3lyp_6-31g+(d).log.xz

000777375.td-b3lyp_6-31+g(d).qchem.inp (generated)

000777375.td-b3lyp_6-31+g(d).gjf (generated)

000777375.td-b3lyp_6-31+g(d).firefly.inp (generated)

000777375.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000777375.mol 000777375.PUBCHEM 000777375.mol (via Jmol)
000777377.b3lyp_6-31g(d).inp

000777377.b3lyp_6-31g(d).qchem.inp (generated)

000777377.b3lyp_6-31g(d).gjf (generated)

000777377.b3lyp_6-31g(d).firefly.inp (generated)

000777377.b3lyp_6-31g(d).smash.inp (generated)

000777377.b3lyp_6-31g(d).nwchem.inp (generated) 000777377.b3lyp_6-31g(d).log.xz 000777377.td-b3lyp_6-31g+(d).inp 000777377.td-b3lyp_6-31g+(d).log.xz

000777377.td-b3lyp_6-31+g(d).qchem.inp (generated)

000777377.td-b3lyp_6-31+g(d).gjf (generated)

000777377.td-b3lyp_6-31+g(d).firefly.inp (generated)

000777377.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000777377.mol 000777377.PUBCHEM 000777377.mol (via Jmol)
000777389.b3lyp_6-31g(d).inp

000777389.b3lyp_6-31g(d).qchem.inp (generated)

000777389.b3lyp_6-31g(d).gjf (generated)

000777389.b3lyp_6-31g(d).firefly.inp (generated)

000777389.b3lyp_6-31g(d).smash.inp (generated)

000777389.b3lyp_6-31g(d).nwchem.inp (generated) 000777389.b3lyp_6-31g(d).log.xz 000777389.td-b3lyp_6-31g+(d).inp 000777389.td-b3lyp_6-31g+(d).log.xz

000777389.td-b3lyp_6-31+g(d).qchem.inp (generated)

000777389.td-b3lyp_6-31+g(d).gjf (generated)

000777389.td-b3lyp_6-31+g(d).firefly.inp (generated)

000777389.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000777389.mol 000777389.PUBCHEM 000777389.mol (via Jmol)
000777407.b3lyp_6-31g(d).inp

000777407.b3lyp_6-31g(d).qchem.inp (generated)

000777407.b3lyp_6-31g(d).gjf (generated)

000777407.b3lyp_6-31g(d).firefly.inp (generated)

000777407.b3lyp_6-31g(d).smash.inp (generated)

000777407.b3lyp_6-31g(d).nwchem.inp (generated) 000777407.b3lyp_6-31g(d).log.xz 000777407.td-b3lyp_6-31g+(d).inp 000777407.td-b3lyp_6-31g+(d).log.xz

000777407.td-b3lyp_6-31+g(d).qchem.inp (generated)

000777407.td-b3lyp_6-31+g(d).gjf (generated)

000777407.td-b3lyp_6-31+g(d).firefly.inp (generated)

000777407.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000777407.mol 000777407.PUBCHEM 000777407.mol (via Jmol)
000777431.b3lyp_6-31g(d).inp

000777431.b3lyp_6-31g(d).qchem.inp (generated)

000777431.b3lyp_6-31g(d).gjf (generated)

000777431.b3lyp_6-31g(d).firefly.inp (generated)

000777431.b3lyp_6-31g(d).smash.inp (generated)

000777431.b3lyp_6-31g(d).nwchem.inp (generated) 000777431.b3lyp_6-31g(d).log.xz 000777431.td-b3lyp_6-31g+(d).inp 000777431.td-b3lyp_6-31g+(d).log.xz

000777431.td-b3lyp_6-31+g(d).qchem.inp (generated)

000777431.td-b3lyp_6-31+g(d).gjf (generated)

000777431.td-b3lyp_6-31+g(d).firefly.inp (generated)

000777431.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000777431.mol 000777431.PUBCHEM 000777431.mol (via Jmol)
000777442.b3lyp_6-31g(d).inp

000777442.b3lyp_6-31g(d).qchem.inp (generated)

000777442.b3lyp_6-31g(d).gjf (generated)

000777442.b3lyp_6-31g(d).firefly.inp (generated)

000777442.b3lyp_6-31g(d).smash.inp (generated)

000777442.b3lyp_6-31g(d).nwchem.inp (generated) 000777442.b3lyp_6-31g(d).log.xz 000777442.td-b3lyp_6-31g+(d).inp 000777442.td-b3lyp_6-31g+(d).log.xz

000777442.td-b3lyp_6-31+g(d).qchem.inp (generated)

000777442.td-b3lyp_6-31+g(d).gjf (generated)

000777442.td-b3lyp_6-31+g(d).firefly.inp (generated)

000777442.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000777442.mol 000777442.PUBCHEM 000777442.mol (via Jmol)
000777447.b3lyp_6-31g(d).inp

000777447.b3lyp_6-31g(d).qchem.inp (generated)

000777447.b3lyp_6-31g(d).gjf (generated)

000777447.b3lyp_6-31g(d).firefly.inp (generated)

000777447.b3lyp_6-31g(d).smash.inp (generated)

000777447.b3lyp_6-31g(d).nwchem.inp (generated) 000777447.b3lyp_6-31g(d).log.xz 000777447.td-b3lyp_6-31g+(d).inp 000777447.td-b3lyp_6-31g+(d).log.xz

000777447.td-b3lyp_6-31+g(d).qchem.inp (generated)

000777447.td-b3lyp_6-31+g(d).gjf (generated)

000777447.td-b3lyp_6-31+g(d).firefly.inp (generated)

000777447.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000777447.mol 000777447.PUBCHEM 000777447.mol (via Jmol)
000777448.b3lyp_6-31g(d).inp

000777448.b3lyp_6-31g(d).qchem.inp (generated)

000777448.b3lyp_6-31g(d).gjf (generated)

000777448.b3lyp_6-31g(d).firefly.inp (generated)

000777448.b3lyp_6-31g(d).smash.inp (generated)

000777448.b3lyp_6-31g(d).nwchem.inp (generated) 000777448.b3lyp_6-31g(d).log.xz 000777448.td-b3lyp_6-31g+(d).inp 000777448.td-b3lyp_6-31g+(d).log.xz

000777448.td-b3lyp_6-31+g(d).qchem.inp (generated)

000777448.td-b3lyp_6-31+g(d).gjf (generated)

000777448.td-b3lyp_6-31+g(d).firefly.inp (generated)

000777448.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000777448.mol 000777448.PUBCHEM 000777448.mol (via Jmol)
000777546.b3lyp_6-31g(d).inp

000777546.b3lyp_6-31g(d).qchem.inp (generated)

000777546.b3lyp_6-31g(d).gjf (generated)

000777546.b3lyp_6-31g(d).firefly.inp (generated)

000777546.b3lyp_6-31g(d).smash.inp (generated)

000777546.b3lyp_6-31g(d).nwchem.inp (generated) 000777546.b3lyp_6-31g(d).log.xz 000777546.mol 000777546.PUBCHEM 000777546.mol (via Jmol)
000777561.b3lyp_6-31g(d).inp

000777561.b3lyp_6-31g(d).qchem.inp (generated)

000777561.b3lyp_6-31g(d).gjf (generated)

000777561.b3lyp_6-31g(d).firefly.inp (generated)

000777561.b3lyp_6-31g(d).smash.inp (generated)

000777561.b3lyp_6-31g(d).nwchem.inp (generated) 000777561.b3lyp_6-31g(d).log.xz 000777561.td-b3lyp_6-31g+(d).inp 000777561.td-b3lyp_6-31g+(d).log.xz

000777561.td-b3lyp_6-31+g(d).qchem.inp (generated)

000777561.td-b3lyp_6-31+g(d).gjf (generated)

000777561.td-b3lyp_6-31+g(d).firefly.inp (generated)

000777561.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000777561.mol 000777561.PUBCHEM 000777561.mol (via Jmol)
000777565.b3lyp_6-31g(d).inp

000777565.b3lyp_6-31g(d).qchem.inp (generated)

000777565.b3lyp_6-31g(d).gjf (generated)

000777565.b3lyp_6-31g(d).firefly.inp (generated)

000777565.b3lyp_6-31g(d).smash.inp (generated)

000777565.b3lyp_6-31g(d).nwchem.inp (generated) 000777565.b3lyp_6-31g(d).log.xz 000777565.td-b3lyp_6-31g+(d).inp 000777565.td-b3lyp_6-31g+(d).log.xz

000777565.td-b3lyp_6-31+g(d).qchem.inp (generated)

000777565.td-b3lyp_6-31+g(d).gjf (generated)

000777565.td-b3lyp_6-31+g(d).firefly.inp (generated)

000777565.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000777565.mol 000777565.PUBCHEM 000777565.mol (via Jmol)
000777613.b3lyp_6-31g(d).inp

000777613.b3lyp_6-31g(d).qchem.inp (generated)

000777613.b3lyp_6-31g(d).gjf (generated)

000777613.b3lyp_6-31g(d).firefly.inp (generated)

000777613.b3lyp_6-31g(d).smash.inp (generated)

000777613.b3lyp_6-31g(d).nwchem.inp (generated) 000777613.b3lyp_6-31g(d).log.xz 000777613.mol 000777613.PUBCHEM 000777613.mol (via Jmol)
000777628.b3lyp_6-31g(d).inp

000777628.b3lyp_6-31g(d).qchem.inp (generated)

000777628.b3lyp_6-31g(d).gjf (generated)

000777628.b3lyp_6-31g(d).firefly.inp (generated)

000777628.b3lyp_6-31g(d).smash.inp (generated)

000777628.b3lyp_6-31g(d).nwchem.inp (generated) 000777628.b3lyp_6-31g(d).log.xz 000777628.td-b3lyp_6-31g+(d).inp 000777628.td-b3lyp_6-31g+(d).log.xz

000777628.td-b3lyp_6-31+g(d).qchem.inp (generated)

000777628.td-b3lyp_6-31+g(d).gjf (generated)

000777628.td-b3lyp_6-31+g(d).firefly.inp (generated)

000777628.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000777628.mol 000777628.PUBCHEM 000777628.mol (via Jmol)
000777640.b3lyp_6-31g(d).inp

000777640.b3lyp_6-31g(d).qchem.inp (generated)

000777640.b3lyp_6-31g(d).gjf (generated)

000777640.b3lyp_6-31g(d).firefly.inp (generated)

000777640.b3lyp_6-31g(d).smash.inp (generated)

000777640.b3lyp_6-31g(d).nwchem.inp (generated) 000777640.b3lyp_6-31g(d).log.xz 000777640.td-b3lyp_6-31g+(d).inp 000777640.td-b3lyp_6-31g+(d).log.xz

000777640.td-b3lyp_6-31+g(d).qchem.inp (generated)

000777640.td-b3lyp_6-31+g(d).gjf (generated)

000777640.td-b3lyp_6-31+g(d).firefly.inp (generated)

000777640.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000777640.mol 000777640.PUBCHEM 000777640.mol (via Jmol)
000777681.b3lyp_6-31g(d).inp

000777681.b3lyp_6-31g(d).qchem.inp (generated)

000777681.b3lyp_6-31g(d).gjf (generated)

000777681.b3lyp_6-31g(d).firefly.inp (generated)

000777681.b3lyp_6-31g(d).smash.inp (generated)

000777681.b3lyp_6-31g(d).nwchem.inp (generated) 000777681.b3lyp_6-31g(d).log.xz 000777681.td-b3lyp_6-31g+(d).inp 000777681.td-b3lyp_6-31g+(d).log.xz

000777681.td-b3lyp_6-31+g(d).qchem.inp (generated)

000777681.td-b3lyp_6-31+g(d).gjf (generated)

000777681.td-b3lyp_6-31+g(d).firefly.inp (generated)

000777681.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000777681.mol 000777681.PUBCHEM 000777681.mol (via Jmol)
000777684.b3lyp_6-31g(d).inp

000777684.b3lyp_6-31g(d).qchem.inp (generated)

000777684.b3lyp_6-31g(d).gjf (generated)

000777684.b3lyp_6-31g(d).firefly.inp (generated)

000777684.b3lyp_6-31g(d).smash.inp (generated)

000777684.b3lyp_6-31g(d).nwchem.inp (generated) 000777684.b3lyp_6-31g(d).log.xz 000777684.td-b3lyp_6-31g+(d).inp 000777684.td-b3lyp_6-31g+(d).log.xz

000777684.td-b3lyp_6-31+g(d).qchem.inp (generated)

000777684.td-b3lyp_6-31+g(d).gjf (generated)

000777684.td-b3lyp_6-31+g(d).firefly.inp (generated)

000777684.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000777684.mol 000777684.PUBCHEM 000777684.mol (via Jmol)
000777691.b3lyp_6-31g(d).inp

000777691.b3lyp_6-31g(d).qchem.inp (generated)

000777691.b3lyp_6-31g(d).gjf (generated)

000777691.b3lyp_6-31g(d).firefly.inp (generated)

000777691.b3lyp_6-31g(d).smash.inp (generated)

000777691.b3lyp_6-31g(d).nwchem.inp (generated) 000777691.b3lyp_6-31g(d).log.xz 000777691.td-b3lyp_6-31g+(d).inp 000777691.td-b3lyp_6-31g+(d).log.xz

000777691.td-b3lyp_6-31+g(d).qchem.inp (generated)

000777691.td-b3lyp_6-31+g(d).gjf (generated)

000777691.td-b3lyp_6-31+g(d).firefly.inp (generated)

000777691.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000777691.mol 000777691.PUBCHEM 000777691.mol (via Jmol)
000777693.b3lyp_6-31g(d).inp

000777693.b3lyp_6-31g(d).qchem.inp (generated)

000777693.b3lyp_6-31g(d).gjf (generated)

000777693.b3lyp_6-31g(d).firefly.inp (generated)

000777693.b3lyp_6-31g(d).smash.inp (generated)

000777693.b3lyp_6-31g(d).nwchem.inp (generated) 000777693.b3lyp_6-31g(d).log.xz 000777693.td-b3lyp_6-31g+(d).inp 000777693.td-b3lyp_6-31g+(d).log.xz

000777693.td-b3lyp_6-31+g(d).qchem.inp (generated)

000777693.td-b3lyp_6-31+g(d).gjf (generated)

000777693.td-b3lyp_6-31+g(d).firefly.inp (generated)

000777693.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000777693.mol 000777693.PUBCHEM 000777693.mol (via Jmol)
000777696.b3lyp_6-31g(d).inp

000777696.b3lyp_6-31g(d).qchem.inp (generated)

000777696.b3lyp_6-31g(d).gjf (generated)

000777696.b3lyp_6-31g(d).firefly.inp (generated)

000777696.b3lyp_6-31g(d).smash.inp (generated)

000777696.b3lyp_6-31g(d).nwchem.inp (generated) 000777696.b3lyp_6-31g(d).log.xz 000777696.td-b3lyp_6-31g+(d).inp 000777696.td-b3lyp_6-31g+(d).log.xz

000777696.td-b3lyp_6-31+g(d).qchem.inp (generated)

000777696.td-b3lyp_6-31+g(d).gjf (generated)

000777696.td-b3lyp_6-31+g(d).firefly.inp (generated)

000777696.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000777696.mol 000777696.PUBCHEM 000777696.mol (via Jmol)
000777698.b3lyp_6-31g(d).inp

000777698.b3lyp_6-31g(d).qchem.inp (generated)

000777698.b3lyp_6-31g(d).gjf (generated)

000777698.b3lyp_6-31g(d).firefly.inp (generated)

000777698.b3lyp_6-31g(d).smash.inp (generated)

000777698.b3lyp_6-31g(d).nwchem.inp (generated) 000777698.b3lyp_6-31g(d).log.xz 000777698.td-b3lyp_6-31g+(d).inp 000777698.td-b3lyp_6-31g+(d).log.xz

000777698.td-b3lyp_6-31+g(d).qchem.inp (generated)

000777698.td-b3lyp_6-31+g(d).gjf (generated)

000777698.td-b3lyp_6-31+g(d).firefly.inp (generated)

000777698.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000777698.mol 000777698.PUBCHEM 000777698.mol (via Jmol)
000777700.b3lyp_6-31g(d).inp

000777700.b3lyp_6-31g(d).qchem.inp (generated)

000777700.b3lyp_6-31g(d).gjf (generated)

000777700.b3lyp_6-31g(d).firefly.inp (generated)

000777700.b3lyp_6-31g(d).smash.inp (generated)

000777700.b3lyp_6-31g(d).nwchem.inp (generated) 000777700.b3lyp_6-31g(d).log.xz 000777700.td-b3lyp_6-31g+(d).inp 000777700.td-b3lyp_6-31g+(d).log.xz

000777700.td-b3lyp_6-31+g(d).qchem.inp (generated)

000777700.td-b3lyp_6-31+g(d).gjf (generated)

000777700.td-b3lyp_6-31+g(d).firefly.inp (generated)

000777700.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000777700.mol 000777700.PUBCHEM 000777700.mol (via Jmol)
000777704.b3lyp_6-31g(d).inp

000777704.b3lyp_6-31g(d).qchem.inp (generated)

000777704.b3lyp_6-31g(d).gjf (generated)

000777704.b3lyp_6-31g(d).firefly.inp (generated)

000777704.b3lyp_6-31g(d).smash.inp (generated)

000777704.b3lyp_6-31g(d).nwchem.inp (generated) 000777704.b3lyp_6-31g(d).log.xz 000777704.td-b3lyp_6-31g+(d).inp 000777704.td-b3lyp_6-31g+(d).log.xz

000777704.td-b3lyp_6-31+g(d).qchem.inp (generated)

000777704.td-b3lyp_6-31+g(d).gjf (generated)

000777704.td-b3lyp_6-31+g(d).firefly.inp (generated)

000777704.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000777704.mol 000777704.PUBCHEM 000777704.mol (via Jmol)
000777710.b3lyp_6-31g(d).inp

000777710.b3lyp_6-31g(d).qchem.inp (generated)

000777710.b3lyp_6-31g(d).gjf (generated)

000777710.b3lyp_6-31g(d).firefly.inp (generated)

000777710.b3lyp_6-31g(d).smash.inp (generated)

000777710.b3lyp_6-31g(d).nwchem.inp (generated) 000777710.b3lyp_6-31g(d).log.xz 000777710.td-b3lyp_6-31g+(d).inp 000777710.td-b3lyp_6-31g+(d).log.xz

000777710.td-b3lyp_6-31+g(d).qchem.inp (generated)

000777710.td-b3lyp_6-31+g(d).gjf (generated)

000777710.td-b3lyp_6-31+g(d).firefly.inp (generated)

000777710.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000777710.mol 000777710.PUBCHEM 000777710.mol (via Jmol)
000777714.b3lyp_6-31g(d).inp

000777714.b3lyp_6-31g(d).qchem.inp (generated)

000777714.b3lyp_6-31g(d).gjf (generated)

000777714.b3lyp_6-31g(d).firefly.inp (generated)

000777714.b3lyp_6-31g(d).smash.inp (generated)

000777714.b3lyp_6-31g(d).nwchem.inp (generated) 000777714.b3lyp_6-31g(d).log.xz 000777714.mol 000777714.PUBCHEM 000777714.mol (via Jmol)
000777716.b3lyp_6-31g(d).inp

000777716.b3lyp_6-31g(d).qchem.inp (generated)

000777716.b3lyp_6-31g(d).gjf (generated)

000777716.b3lyp_6-31g(d).firefly.inp (generated)

000777716.b3lyp_6-31g(d).smash.inp (generated)

000777716.b3lyp_6-31g(d).nwchem.inp (generated) 000777716.b3lyp_6-31g(d).log.xz 000777716.mol 000777716.PUBCHEM 000777716.mol (via Jmol)
000777717.b3lyp_6-31g(d).inp

000777717.b3lyp_6-31g(d).qchem.inp (generated)

000777717.b3lyp_6-31g(d).gjf (generated)

000777717.b3lyp_6-31g(d).firefly.inp (generated)

000777717.b3lyp_6-31g(d).smash.inp (generated)

000777717.b3lyp_6-31g(d).nwchem.inp (generated) 000777717.b3lyp_6-31g(d).log.xz 000777717.td-b3lyp_6-31g+(d).inp 000777717.td-b3lyp_6-31g+(d).log.xz

000777717.td-b3lyp_6-31+g(d).qchem.inp (generated)

000777717.td-b3lyp_6-31+g(d).gjf (generated)

000777717.td-b3lyp_6-31+g(d).firefly.inp (generated)

000777717.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000777717.mol 000777717.PUBCHEM 000777717.mol (via Jmol)
000777721.b3lyp_6-31g(d).inp

000777721.b3lyp_6-31g(d).qchem.inp (generated)

000777721.b3lyp_6-31g(d).gjf (generated)

000777721.b3lyp_6-31g(d).firefly.inp (generated)

000777721.b3lyp_6-31g(d).smash.inp (generated)

000777721.b3lyp_6-31g(d).nwchem.inp (generated) 000777721.b3lyp_6-31g(d).log.xz 000777721.td-b3lyp_6-31g+(d).inp 000777721.td-b3lyp_6-31g+(d).log.xz

000777721.td-b3lyp_6-31+g(d).qchem.inp (generated)

000777721.td-b3lyp_6-31+g(d).gjf (generated)

000777721.td-b3lyp_6-31+g(d).firefly.inp (generated)

000777721.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000777721.mol 000777721.PUBCHEM 000777721.mol (via Jmol)
000777723.b3lyp_6-31g(d).inp

000777723.b3lyp_6-31g(d).qchem.inp (generated)

000777723.b3lyp_6-31g(d).gjf (generated)

000777723.b3lyp_6-31g(d).firefly.inp (generated)

000777723.b3lyp_6-31g(d).smash.inp (generated)

000777723.b3lyp_6-31g(d).nwchem.inp (generated) 000777723.b3lyp_6-31g(d).log.xz 000777723.td-b3lyp_6-31g+(d).inp 000777723.td-b3lyp_6-31g+(d).log.xz

000777723.td-b3lyp_6-31+g(d).qchem.inp (generated)

000777723.td-b3lyp_6-31+g(d).gjf (generated)

000777723.td-b3lyp_6-31+g(d).firefly.inp (generated)

000777723.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000777723.mol 000777723.PUBCHEM 000777723.mol (via Jmol)
000777724.b3lyp_6-31g(d).inp

000777724.b3lyp_6-31g(d).qchem.inp (generated)

000777724.b3lyp_6-31g(d).gjf (generated)

000777724.b3lyp_6-31g(d).firefly.inp (generated)

000777724.b3lyp_6-31g(d).smash.inp (generated)

000777724.b3lyp_6-31g(d).nwchem.inp (generated) 000777724.b3lyp_6-31g(d).log.xz 000777724.td-b3lyp_6-31g+(d).inp 000777724.td-b3lyp_6-31g+(d).log.xz

000777724.td-b3lyp_6-31+g(d).qchem.inp (generated)

000777724.td-b3lyp_6-31+g(d).gjf (generated)

000777724.td-b3lyp_6-31+g(d).firefly.inp (generated)

000777724.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000777724.mol 000777724.PUBCHEM 000777724.mol (via Jmol)
000777725.b3lyp_6-31g(d).inp

000777725.b3lyp_6-31g(d).qchem.inp (generated)

000777725.b3lyp_6-31g(d).gjf (generated)

000777725.b3lyp_6-31g(d).firefly.inp (generated)

000777725.b3lyp_6-31g(d).smash.inp (generated)

000777725.b3lyp_6-31g(d).nwchem.inp (generated) 000777725.b3lyp_6-31g(d).log.xz 000777725.td-b3lyp_6-31g+(d).inp 000777725.td-b3lyp_6-31g+(d).log.xz

000777725.td-b3lyp_6-31+g(d).qchem.inp (generated)

000777725.td-b3lyp_6-31+g(d).gjf (generated)

000777725.td-b3lyp_6-31+g(d).firefly.inp (generated)

000777725.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000777725.mol 000777725.PUBCHEM 000777725.mol (via Jmol)
000777727.b3lyp_6-31g(d).inp

000777727.b3lyp_6-31g(d).qchem.inp (generated)

000777727.b3lyp_6-31g(d).gjf (generated)

000777727.b3lyp_6-31g(d).firefly.inp (generated)

000777727.b3lyp_6-31g(d).smash.inp (generated)

000777727.b3lyp_6-31g(d).nwchem.inp (generated) 000777727.b3lyp_6-31g(d).log.xz 000777727.td-b3lyp_6-31g+(d).inp 000777727.td-b3lyp_6-31g+(d).log.xz

000777727.td-b3lyp_6-31+g(d).qchem.inp (generated)

000777727.td-b3lyp_6-31+g(d).gjf (generated)

000777727.td-b3lyp_6-31+g(d).firefly.inp (generated)

000777727.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000777727.mol 000777727.PUBCHEM 000777727.mol (via Jmol)
000777729.b3lyp_6-31g(d).inp

000777729.b3lyp_6-31g(d).qchem.inp (generated)

000777729.b3lyp_6-31g(d).gjf (generated)

000777729.b3lyp_6-31g(d).firefly.inp (generated)

000777729.b3lyp_6-31g(d).smash.inp (generated)

000777729.b3lyp_6-31g(d).nwchem.inp (generated) 000777729.b3lyp_6-31g(d).log.xz 000777729.td-b3lyp_6-31g+(d).inp 000777729.td-b3lyp_6-31g+(d).log.xz

000777729.td-b3lyp_6-31+g(d).qchem.inp (generated)

000777729.td-b3lyp_6-31+g(d).gjf (generated)

000777729.td-b3lyp_6-31+g(d).firefly.inp (generated)

000777729.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000777729.mol 000777729.PUBCHEM 000777729.mol (via Jmol)
000777730.b3lyp_6-31g(d).inp

000777730.b3lyp_6-31g(d).qchem.inp (generated)

000777730.b3lyp_6-31g(d).gjf (generated)

000777730.b3lyp_6-31g(d).firefly.inp (generated)

000777730.b3lyp_6-31g(d).smash.inp (generated)

000777730.b3lyp_6-31g(d).nwchem.inp (generated) 000777730.b3lyp_6-31g(d).log.xz 000777730.td-b3lyp_6-31g+(d).inp 000777730.td-b3lyp_6-31g+(d).log.xz

000777730.td-b3lyp_6-31+g(d).qchem.inp (generated)

000777730.td-b3lyp_6-31+g(d).gjf (generated)

000777730.td-b3lyp_6-31+g(d).firefly.inp (generated)

000777730.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000777730.mol 000777730.PUBCHEM 000777730.mol (via Jmol)
000777743.b3lyp_6-31g(d).inp

000777743.b3lyp_6-31g(d).qchem.inp (generated)

000777743.b3lyp_6-31g(d).gjf (generated)

000777743.b3lyp_6-31g(d).firefly.inp (generated)

000777743.b3lyp_6-31g(d).smash.inp (generated)

000777743.b3lyp_6-31g(d).nwchem.inp (generated) 000777743.b3lyp_6-31g(d).log.xz 000777743.td-b3lyp_6-31g+(d).inp 000777743.td-b3lyp_6-31g+(d).log.xz

000777743.td-b3lyp_6-31+g(d).qchem.inp (generated)

000777743.td-b3lyp_6-31+g(d).gjf (generated)

000777743.td-b3lyp_6-31+g(d).firefly.inp (generated)

000777743.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000777743.mol 000777743.PUBCHEM 000777743.mol (via Jmol)
000777753.b3lyp_6-31g(d).inp

000777753.b3lyp_6-31g(d).qchem.inp (generated)

000777753.b3lyp_6-31g(d).gjf (generated)

000777753.b3lyp_6-31g(d).firefly.inp (generated)

000777753.b3lyp_6-31g(d).smash.inp (generated)

000777753.b3lyp_6-31g(d).nwchem.inp (generated) 000777753.b3lyp_6-31g(d).log.xz 000777753.td-b3lyp_6-31g+(d).inp 000777753.td-b3lyp_6-31g+(d).log.xz

000777753.td-b3lyp_6-31+g(d).qchem.inp (generated)

000777753.td-b3lyp_6-31+g(d).gjf (generated)

000777753.td-b3lyp_6-31+g(d).firefly.inp (generated)

000777753.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000777753.mol 000777753.PUBCHEM 000777753.mol (via Jmol)
000777755.b3lyp_6-31g(d).inp

000777755.b3lyp_6-31g(d).qchem.inp (generated)

000777755.b3lyp_6-31g(d).gjf (generated)

000777755.b3lyp_6-31g(d).firefly.inp (generated)

000777755.b3lyp_6-31g(d).smash.inp (generated)

000777755.b3lyp_6-31g(d).nwchem.inp (generated) 000777755.b3lyp_6-31g(d).log.xz 000777755.td-b3lyp_6-31g+(d).inp 000777755.td-b3lyp_6-31g+(d).log.xz

000777755.td-b3lyp_6-31+g(d).qchem.inp (generated)

000777755.td-b3lyp_6-31+g(d).gjf (generated)

000777755.td-b3lyp_6-31+g(d).firefly.inp (generated)

000777755.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000777755.mol 000777755.PUBCHEM 000777755.mol (via Jmol)
000777796.b3lyp_6-31g(d).inp

000777796.b3lyp_6-31g(d).qchem.inp (generated)

000777796.b3lyp_6-31g(d).gjf (generated)

000777796.b3lyp_6-31g(d).firefly.inp (generated)

000777796.b3lyp_6-31g(d).smash.inp (generated)

000777796.b3lyp_6-31g(d).nwchem.inp (generated) 000777796.b3lyp_6-31g(d).log.xz 000777796.mol 000777796.PUBCHEM 000777796.mol (via Jmol)
000777800.b3lyp_6-31g(d).inp

000777800.b3lyp_6-31g(d).qchem.inp (generated)

000777800.b3lyp_6-31g(d).gjf (generated)

000777800.b3lyp_6-31g(d).firefly.inp (generated)

000777800.b3lyp_6-31g(d).smash.inp (generated)

000777800.b3lyp_6-31g(d).nwchem.inp (generated) 000777800.b3lyp_6-31g(d).log.xz 000777800.td-b3lyp_6-31g+(d).inp 000777800.td-b3lyp_6-31g+(d).log.xz

000777800.td-b3lyp_6-31+g(d).qchem.inp (generated)

000777800.td-b3lyp_6-31+g(d).gjf (generated)

000777800.td-b3lyp_6-31+g(d).firefly.inp (generated)

000777800.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000777800.mol 000777800.PUBCHEM 000777800.mol (via Jmol)
000777803.b3lyp_6-31g(d).inp

000777803.b3lyp_6-31g(d).qchem.inp (generated)

000777803.b3lyp_6-31g(d).gjf (generated)

000777803.b3lyp_6-31g(d).firefly.inp (generated)

000777803.b3lyp_6-31g(d).smash.inp (generated)

000777803.b3lyp_6-31g(d).nwchem.inp (generated) 000777803.b3lyp_6-31g(d).log.xz 000777803.mol 000777803.PUBCHEM 000777803.mol (via Jmol)
000777809.b3lyp_6-31g(d).inp

000777809.b3lyp_6-31g(d).qchem.inp (generated)

000777809.b3lyp_6-31g(d).gjf (generated)

000777809.b3lyp_6-31g(d).firefly.inp (generated)

000777809.b3lyp_6-31g(d).smash.inp (generated)

000777809.b3lyp_6-31g(d).nwchem.inp (generated) 000777809.b3lyp_6-31g(d).log.xz 000777809.td-b3lyp_6-31g+(d).inp 000777809.td-b3lyp_6-31g+(d).log.xz

000777809.td-b3lyp_6-31+g(d).qchem.inp (generated)

000777809.td-b3lyp_6-31+g(d).gjf (generated)

000777809.td-b3lyp_6-31+g(d).firefly.inp (generated)

000777809.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000777809.mol 000777809.PUBCHEM 000777809.mol (via Jmol)
000777813.b3lyp_6-31g(d).inp

000777813.b3lyp_6-31g(d).qchem.inp (generated)

000777813.b3lyp_6-31g(d).gjf (generated)

000777813.b3lyp_6-31g(d).firefly.inp (generated)

000777813.b3lyp_6-31g(d).smash.inp (generated)

000777813.b3lyp_6-31g(d).nwchem.inp (generated) 000777813.b3lyp_6-31g(d).log.xz 000777813.td-b3lyp_6-31g+(d).inp 000777813.td-b3lyp_6-31g+(d).log.xz

000777813.td-b3lyp_6-31+g(d).qchem.inp (generated)

000777813.td-b3lyp_6-31+g(d).gjf (generated)

000777813.td-b3lyp_6-31+g(d).firefly.inp (generated)

000777813.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000777813.mol 000777813.PUBCHEM 000777813.mol (via Jmol)
000777814.b3lyp_6-31g(d).inp

000777814.b3lyp_6-31g(d).qchem.inp (generated)

000777814.b3lyp_6-31g(d).gjf (generated)

000777814.b3lyp_6-31g(d).firefly.inp (generated)

000777814.b3lyp_6-31g(d).smash.inp (generated)

000777814.b3lyp_6-31g(d).nwchem.inp (generated) 000777814.b3lyp_6-31g(d).log.xz 000777814.mol 000777814.PUBCHEM 000777814.mol (via Jmol)
000777819.b3lyp_6-31g(d).inp

000777819.b3lyp_6-31g(d).qchem.inp (generated)

000777819.b3lyp_6-31g(d).gjf (generated)

000777819.b3lyp_6-31g(d).firefly.inp (generated)

000777819.b3lyp_6-31g(d).smash.inp (generated)

000777819.b3lyp_6-31g(d).nwchem.inp (generated) 000777819.b3lyp_6-31g(d).log.xz 000777819.td-b3lyp_6-31g+(d).inp 000777819.td-b3lyp_6-31g+(d).log.xz

000777819.td-b3lyp_6-31+g(d).qchem.inp (generated)

000777819.td-b3lyp_6-31+g(d).gjf (generated)

000777819.td-b3lyp_6-31+g(d).firefly.inp (generated)

000777819.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000777819.mol 000777819.PUBCHEM 000777819.mol (via Jmol)
000777823.b3lyp_6-31g(d).inp

000777823.b3lyp_6-31g(d).qchem.inp (generated)

000777823.b3lyp_6-31g(d).gjf (generated)

000777823.b3lyp_6-31g(d).firefly.inp (generated)

000777823.b3lyp_6-31g(d).smash.inp (generated)

000777823.b3lyp_6-31g(d).nwchem.inp (generated) 000777823.b3lyp_6-31g(d).log.xz 000777823.td-b3lyp_6-31g+(d).inp 000777823.td-b3lyp_6-31g+(d).log.xz

000777823.td-b3lyp_6-31+g(d).qchem.inp (generated)

000777823.td-b3lyp_6-31+g(d).gjf (generated)

000777823.td-b3lyp_6-31+g(d).firefly.inp (generated)

000777823.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000777823.mol 000777823.PUBCHEM 000777823.mol (via Jmol)
000777837.b3lyp_6-31g(d).inp

000777837.b3lyp_6-31g(d).qchem.inp (generated)

000777837.b3lyp_6-31g(d).gjf (generated)

000777837.b3lyp_6-31g(d).firefly.inp (generated)

000777837.b3lyp_6-31g(d).smash.inp (generated)

000777837.b3lyp_6-31g(d).nwchem.inp (generated) 000777837.b3lyp_6-31g(d).log.xz 000777837.td-b3lyp_6-31g+(d).inp 000777837.td-b3lyp_6-31g+(d).log.xz

000777837.td-b3lyp_6-31+g(d).qchem.inp (generated)

000777837.td-b3lyp_6-31+g(d).gjf (generated)

000777837.td-b3lyp_6-31+g(d).firefly.inp (generated)

000777837.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000777837.mol 000777837.PUBCHEM 000777837.mol (via Jmol)
000777838.b3lyp_6-31g(d).inp

000777838.b3lyp_6-31g(d).qchem.inp (generated)

000777838.b3lyp_6-31g(d).gjf (generated)

000777838.b3lyp_6-31g(d).firefly.inp (generated)

000777838.b3lyp_6-31g(d).smash.inp (generated)

000777838.b3lyp_6-31g(d).nwchem.inp (generated) 000777838.b3lyp_6-31g(d).log.xz 000777838.td-b3lyp_6-31g+(d).inp 000777838.td-b3lyp_6-31g+(d).log.xz

000777838.td-b3lyp_6-31+g(d).qchem.inp (generated)

000777838.td-b3lyp_6-31+g(d).gjf (generated)

000777838.td-b3lyp_6-31+g(d).firefly.inp (generated)

000777838.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000777838.mol 000777838.PUBCHEM 000777838.mol (via Jmol)
000777840.b3lyp_6-31g(d).inp

000777840.b3lyp_6-31g(d).qchem.inp (generated)

000777840.b3lyp_6-31g(d).gjf (generated)

000777840.b3lyp_6-31g(d).firefly.inp (generated)

000777840.b3lyp_6-31g(d).smash.inp (generated)

000777840.b3lyp_6-31g(d).nwchem.inp (generated) 000777840.b3lyp_6-31g(d).log.xz 000777840.td-b3lyp_6-31g+(d).inp 000777840.td-b3lyp_6-31g+(d).log.xz

000777840.td-b3lyp_6-31+g(d).qchem.inp (generated)

000777840.td-b3lyp_6-31+g(d).gjf (generated)

000777840.td-b3lyp_6-31+g(d).firefly.inp (generated)

000777840.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000777840.mol 000777840.PUBCHEM 000777840.mol (via Jmol)
000777841.b3lyp_6-31g(d).inp

000777841.b3lyp_6-31g(d).qchem.inp (generated)

000777841.b3lyp_6-31g(d).gjf (generated)

000777841.b3lyp_6-31g(d).firefly.inp (generated)

000777841.b3lyp_6-31g(d).smash.inp (generated)

000777841.b3lyp_6-31g(d).nwchem.inp (generated) 000777841.b3lyp_6-31g(d).log.xz 000777841.td-b3lyp_6-31g+(d).inp 000777841.td-b3lyp_6-31g+(d).log.xz

000777841.td-b3lyp_6-31+g(d).qchem.inp (generated)

000777841.td-b3lyp_6-31+g(d).gjf (generated)

000777841.td-b3lyp_6-31+g(d).firefly.inp (generated)

000777841.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000777841.mol 000777841.PUBCHEM 000777841.mol (via Jmol)
000777844.b3lyp_6-31g(d).inp

000777844.b3lyp_6-31g(d).qchem.inp (generated)

000777844.b3lyp_6-31g(d).gjf (generated)

000777844.b3lyp_6-31g(d).firefly.inp (generated)

000777844.b3lyp_6-31g(d).smash.inp (generated)

000777844.b3lyp_6-31g(d).nwchem.inp (generated) 000777844.b3lyp_6-31g(d).log.xz 000777844.td-b3lyp_6-31g+(d).inp 000777844.td-b3lyp_6-31g+(d).log.xz

000777844.td-b3lyp_6-31+g(d).qchem.inp (generated)

000777844.td-b3lyp_6-31+g(d).gjf (generated)

000777844.td-b3lyp_6-31+g(d).firefly.inp (generated)

000777844.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000777844.mol 000777844.PUBCHEM 000777844.mol (via Jmol)
000777845.b3lyp_6-31g(d).inp

000777845.b3lyp_6-31g(d).qchem.inp (generated)

000777845.b3lyp_6-31g(d).gjf (generated)

000777845.b3lyp_6-31g(d).firefly.inp (generated)

000777845.b3lyp_6-31g(d).smash.inp (generated)

000777845.b3lyp_6-31g(d).nwchem.inp (generated) 000777845.b3lyp_6-31g(d).log.xz 000777845.td-b3lyp_6-31g+(d).inp 000777845.td-b3lyp_6-31g+(d).log.xz

000777845.td-b3lyp_6-31+g(d).qchem.inp (generated)

000777845.td-b3lyp_6-31+g(d).gjf (generated)

000777845.td-b3lyp_6-31+g(d).firefly.inp (generated)

000777845.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000777845.mol 000777845.PUBCHEM 000777845.mol (via Jmol)
000777846.b3lyp_6-31g(d).inp

000777846.b3lyp_6-31g(d).qchem.inp (generated)

000777846.b3lyp_6-31g(d).gjf (generated)

000777846.b3lyp_6-31g(d).firefly.inp (generated)

000777846.b3lyp_6-31g(d).smash.inp (generated)

000777846.b3lyp_6-31g(d).nwchem.inp (generated) 000777846.b3lyp_6-31g(d).log.xz 000777846.td-b3lyp_6-31g+(d).inp 000777846.td-b3lyp_6-31g+(d).log.xz

000777846.td-b3lyp_6-31+g(d).qchem.inp (generated)

000777846.td-b3lyp_6-31+g(d).gjf (generated)

000777846.td-b3lyp_6-31+g(d).firefly.inp (generated)

000777846.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000777846.mol 000777846.PUBCHEM 000777846.mol (via Jmol)
000777854.b3lyp_6-31g(d).inp

000777854.b3lyp_6-31g(d).qchem.inp (generated)

000777854.b3lyp_6-31g(d).gjf (generated)

000777854.b3lyp_6-31g(d).firefly.inp (generated)

000777854.b3lyp_6-31g(d).smash.inp (generated)

000777854.b3lyp_6-31g(d).nwchem.inp (generated) 000777854.b3lyp_6-31g(d).log.xz 000777854.td-b3lyp_6-31g+(d).inp 000777854.td-b3lyp_6-31g+(d).log.xz

000777854.td-b3lyp_6-31+g(d).qchem.inp (generated)

000777854.td-b3lyp_6-31+g(d).gjf (generated)

000777854.td-b3lyp_6-31+g(d).firefly.inp (generated)

000777854.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000777854.mol 000777854.PUBCHEM 000777854.mol (via Jmol)
000777855.b3lyp_6-31g(d).inp

000777855.b3lyp_6-31g(d).qchem.inp (generated)

000777855.b3lyp_6-31g(d).gjf (generated)

000777855.b3lyp_6-31g(d).firefly.inp (generated)

000777855.b3lyp_6-31g(d).smash.inp (generated)

000777855.b3lyp_6-31g(d).nwchem.inp (generated) 000777855.b3lyp_6-31g(d).log.xz 000777855.mol 000777855.PUBCHEM 000777855.mol (via Jmol)
000777859.b3lyp_6-31g(d).inp

000777859.b3lyp_6-31g(d).qchem.inp (generated)

000777859.b3lyp_6-31g(d).gjf (generated)

000777859.b3lyp_6-31g(d).firefly.inp (generated)

000777859.b3lyp_6-31g(d).smash.inp (generated)

000777859.b3lyp_6-31g(d).nwchem.inp (generated) 000777859.b3lyp_6-31g(d).log.xz 000777859.mol 000777859.PUBCHEM 000777859.mol (via Jmol)
000777865.b3lyp_6-31g(d).inp

000777865.b3lyp_6-31g(d).qchem.inp (generated)

000777865.b3lyp_6-31g(d).gjf (generated)

000777865.b3lyp_6-31g(d).firefly.inp (generated)

000777865.b3lyp_6-31g(d).smash.inp (generated)

000777865.b3lyp_6-31g(d).nwchem.inp (generated) 000777865.b3lyp_6-31g(d).log.xz 000777865.td-b3lyp_6-31g+(d).inp 000777865.td-b3lyp_6-31g+(d).log.xz

000777865.td-b3lyp_6-31+g(d).qchem.inp (generated)

000777865.td-b3lyp_6-31+g(d).gjf (generated)

000777865.td-b3lyp_6-31+g(d).firefly.inp (generated)

000777865.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000777865.mol 000777865.PUBCHEM 000777865.mol (via Jmol)
000777866.b3lyp_6-31g(d).inp

000777866.b3lyp_6-31g(d).qchem.inp (generated)

000777866.b3lyp_6-31g(d).gjf (generated)

000777866.b3lyp_6-31g(d).firefly.inp (generated)

000777866.b3lyp_6-31g(d).smash.inp (generated)

000777866.b3lyp_6-31g(d).nwchem.inp (generated) 000777866.b3lyp_6-31g(d).log.xz 000777866.td-b3lyp_6-31g+(d).inp 000777866.td-b3lyp_6-31g+(d).log.xz

000777866.td-b3lyp_6-31+g(d).qchem.inp (generated)

000777866.td-b3lyp_6-31+g(d).gjf (generated)

000777866.td-b3lyp_6-31+g(d).firefly.inp (generated)

000777866.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000777866.mol 000777866.PUBCHEM 000777866.mol (via Jmol)
000777867.b3lyp_6-31g(d).inp

000777867.b3lyp_6-31g(d).qchem.inp (generated)

000777867.b3lyp_6-31g(d).gjf (generated)

000777867.b3lyp_6-31g(d).firefly.inp (generated)

000777867.b3lyp_6-31g(d).smash.inp (generated)

000777867.b3lyp_6-31g(d).nwchem.inp (generated) 000777867.b3lyp_6-31g(d).log.xz 000777867.td-b3lyp_6-31g+(d).inp 000777867.td-b3lyp_6-31g+(d).log.xz

000777867.td-b3lyp_6-31+g(d).qchem.inp (generated)

000777867.td-b3lyp_6-31+g(d).gjf (generated)

000777867.td-b3lyp_6-31+g(d).firefly.inp (generated)

000777867.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000777867.mol 000777867.PUBCHEM 000777867.mol (via Jmol)
000777868.b3lyp_6-31g(d).inp

000777868.b3lyp_6-31g(d).qchem.inp (generated)

000777868.b3lyp_6-31g(d).gjf (generated)

000777868.b3lyp_6-31g(d).firefly.inp (generated)

000777868.b3lyp_6-31g(d).smash.inp (generated)

000777868.b3lyp_6-31g(d).nwchem.inp (generated) 000777868.b3lyp_6-31g(d).log.xz 000777868.td-b3lyp_6-31g+(d).inp 000777868.td-b3lyp_6-31g+(d).log.xz

000777868.td-b3lyp_6-31+g(d).qchem.inp (generated)

000777868.td-b3lyp_6-31+g(d).gjf (generated)

000777868.td-b3lyp_6-31+g(d).firefly.inp (generated)

000777868.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000777868.mol 000777868.PUBCHEM 000777868.mol (via Jmol)
000777869.b3lyp_6-31g(d).inp

000777869.b3lyp_6-31g(d).qchem.inp (generated)

000777869.b3lyp_6-31g(d).gjf (generated)

000777869.b3lyp_6-31g(d).firefly.inp (generated)

000777869.b3lyp_6-31g(d).smash.inp (generated)

000777869.b3lyp_6-31g(d).nwchem.inp (generated) 000777869.b3lyp_6-31g(d).log.xz 000777869.td-b3lyp_6-31g+(d).inp 000777869.td-b3lyp_6-31g+(d).log.xz

000777869.td-b3lyp_6-31+g(d).qchem.inp (generated)

000777869.td-b3lyp_6-31+g(d).gjf (generated)

000777869.td-b3lyp_6-31+g(d).firefly.inp (generated)

000777869.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000777869.mol 000777869.PUBCHEM 000777869.mol (via Jmol)
000777870.b3lyp_6-31g(d).inp

000777870.b3lyp_6-31g(d).qchem.inp (generated)

000777870.b3lyp_6-31g(d).gjf (generated)

000777870.b3lyp_6-31g(d).firefly.inp (generated)

000777870.b3lyp_6-31g(d).smash.inp (generated)

000777870.b3lyp_6-31g(d).nwchem.inp (generated) 000777870.b3lyp_6-31g(d).log.xz 000777870.td-b3lyp_6-31g+(d).inp 000777870.td-b3lyp_6-31g+(d).log.xz

000777870.td-b3lyp_6-31+g(d).qchem.inp (generated)

000777870.td-b3lyp_6-31+g(d).gjf (generated)

000777870.td-b3lyp_6-31+g(d).firefly.inp (generated)

000777870.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000777870.mol 000777870.PUBCHEM 000777870.mol (via Jmol)
000777880.b3lyp_6-31g(d).inp

000777880.b3lyp_6-31g(d).qchem.inp (generated)

000777880.b3lyp_6-31g(d).gjf (generated)

000777880.b3lyp_6-31g(d).firefly.inp (generated)

000777880.b3lyp_6-31g(d).smash.inp (generated)

000777880.b3lyp_6-31g(d).nwchem.inp (generated) 000777880.b3lyp_6-31g(d).log.xz 000777880.td-b3lyp_6-31g+(d).inp 000777880.td-b3lyp_6-31g+(d).log.xz

000777880.td-b3lyp_6-31+g(d).qchem.inp (generated)

000777880.td-b3lyp_6-31+g(d).gjf (generated)

000777880.td-b3lyp_6-31+g(d).firefly.inp (generated)

000777880.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000777880.mol 000777880.PUBCHEM 000777880.mol (via Jmol)
000777881.b3lyp_6-31g(d).inp

000777881.b3lyp_6-31g(d).qchem.inp (generated)

000777881.b3lyp_6-31g(d).gjf (generated)

000777881.b3lyp_6-31g(d).firefly.inp (generated)

000777881.b3lyp_6-31g(d).smash.inp (generated)

000777881.b3lyp_6-31g(d).nwchem.inp (generated) 000777881.b3lyp_6-31g(d).log.xz 000777881.td-b3lyp_6-31g+(d).inp 000777881.td-b3lyp_6-31g+(d).log.xz

000777881.td-b3lyp_6-31+g(d).qchem.inp (generated)

000777881.td-b3lyp_6-31+g(d).gjf (generated)

000777881.td-b3lyp_6-31+g(d).firefly.inp (generated)

000777881.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000777881.mol 000777881.PUBCHEM 000777881.mol (via Jmol)
000777883.b3lyp_6-31g(d).inp

000777883.b3lyp_6-31g(d).qchem.inp (generated)

000777883.b3lyp_6-31g(d).gjf (generated)

000777883.b3lyp_6-31g(d).firefly.inp (generated)

000777883.b3lyp_6-31g(d).smash.inp (generated)

000777883.b3lyp_6-31g(d).nwchem.inp (generated) 000777883.b3lyp_6-31g(d).log.xz 000777883.mol 000777883.PUBCHEM 000777883.mol (via Jmol)
000777885.b3lyp_6-31g(d).inp

000777885.b3lyp_6-31g(d).qchem.inp (generated)

000777885.b3lyp_6-31g(d).gjf (generated)

000777885.b3lyp_6-31g(d).firefly.inp (generated)

000777885.b3lyp_6-31g(d).smash.inp (generated)

000777885.b3lyp_6-31g(d).nwchem.inp (generated) 000777885.b3lyp_6-31g(d).log.xz 000777885.mol 000777885.PUBCHEM 000777885.mol (via Jmol)
000777887.b3lyp_6-31g(d).inp

000777887.b3lyp_6-31g(d).qchem.inp (generated)

000777887.b3lyp_6-31g(d).gjf (generated)

000777887.b3lyp_6-31g(d).firefly.inp (generated)

000777887.b3lyp_6-31g(d).smash.inp (generated)

000777887.b3lyp_6-31g(d).nwchem.inp (generated) 000777887.b3lyp_6-31g(d).log.xz 000777887.td-b3lyp_6-31g+(d).inp 000777887.td-b3lyp_6-31g+(d).log.xz

000777887.td-b3lyp_6-31+g(d).qchem.inp (generated)

000777887.td-b3lyp_6-31+g(d).gjf (generated)

000777887.td-b3lyp_6-31+g(d).firefly.inp (generated)

000777887.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000777887.mol 000777887.PUBCHEM 000777887.mol (via Jmol)
000777888.b3lyp_6-31g(d).inp

000777888.b3lyp_6-31g(d).qchem.inp (generated)

000777888.b3lyp_6-31g(d).gjf (generated)

000777888.b3lyp_6-31g(d).firefly.inp (generated)

000777888.b3lyp_6-31g(d).smash.inp (generated)

000777888.b3lyp_6-31g(d).nwchem.inp (generated) 000777888.b3lyp_6-31g(d).log.xz 000777888.td-b3lyp_6-31g+(d).inp 000777888.td-b3lyp_6-31g+(d).log.xz

000777888.td-b3lyp_6-31+g(d).qchem.inp (generated)

000777888.td-b3lyp_6-31+g(d).gjf (generated)

000777888.td-b3lyp_6-31+g(d).firefly.inp (generated)

000777888.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000777888.mol 000777888.PUBCHEM 000777888.mol (via Jmol)
000777903.b3lyp_6-31g(d).inp

000777903.b3lyp_6-31g(d).qchem.inp (generated)

000777903.b3lyp_6-31g(d).gjf (generated)

000777903.b3lyp_6-31g(d).firefly.inp (generated)

000777903.b3lyp_6-31g(d).smash.inp (generated)

000777903.b3lyp_6-31g(d).nwchem.inp (generated) 000777903.b3lyp_6-31g(d).log.xz 000777903.td-b3lyp_6-31g+(d).inp 000777903.td-b3lyp_6-31g+(d).log.xz

000777903.td-b3lyp_6-31+g(d).qchem.inp (generated)

000777903.td-b3lyp_6-31+g(d).gjf (generated)

000777903.td-b3lyp_6-31+g(d).firefly.inp (generated)

000777903.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000777903.mol 000777903.PUBCHEM 000777903.mol (via Jmol)
000777904.b3lyp_6-31g(d).inp

000777904.b3lyp_6-31g(d).qchem.inp (generated)

000777904.b3lyp_6-31g(d).gjf (generated)

000777904.b3lyp_6-31g(d).firefly.inp (generated)

000777904.b3lyp_6-31g(d).smash.inp (generated)

000777904.b3lyp_6-31g(d).nwchem.inp (generated) 000777904.b3lyp_6-31g(d).log.xz 000777904.td-b3lyp_6-31g+(d).inp 000777904.td-b3lyp_6-31g+(d).log.xz

000777904.td-b3lyp_6-31+g(d).qchem.inp (generated)

000777904.td-b3lyp_6-31+g(d).gjf (generated)

000777904.td-b3lyp_6-31+g(d).firefly.inp (generated)

000777904.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000777904.mol 000777904.PUBCHEM 000777904.mol (via Jmol)
000777921.b3lyp_6-31g(d).inp

000777921.b3lyp_6-31g(d).qchem.inp (generated)

000777921.b3lyp_6-31g(d).gjf (generated)

000777921.b3lyp_6-31g(d).firefly.inp (generated)

000777921.b3lyp_6-31g(d).smash.inp (generated)

000777921.b3lyp_6-31g(d).nwchem.inp (generated) 000777921.b3lyp_6-31g(d).log.xz 000777921.td-b3lyp_6-31g+(d).inp 000777921.td-b3lyp_6-31g+(d).log.xz

000777921.td-b3lyp_6-31+g(d).qchem.inp (generated)

000777921.td-b3lyp_6-31+g(d).gjf (generated)

000777921.td-b3lyp_6-31+g(d).firefly.inp (generated)

000777921.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000777921.mol 000777921.PUBCHEM 000777921.mol (via Jmol)
000777925.b3lyp_6-31g(d).inp

000777925.b3lyp_6-31g(d).qchem.inp (generated)

000777925.b3lyp_6-31g(d).gjf (generated)

000777925.b3lyp_6-31g(d).firefly.inp (generated)

000777925.b3lyp_6-31g(d).smash.inp (generated)

000777925.b3lyp_6-31g(d).nwchem.inp (generated) 000777925.b3lyp_6-31g(d).log.xz 000777925.td-b3lyp_6-31g+(d).inp 000777925.td-b3lyp_6-31g+(d).log.xz

000777925.td-b3lyp_6-31+g(d).qchem.inp (generated)

000777925.td-b3lyp_6-31+g(d).gjf (generated)

000777925.td-b3lyp_6-31+g(d).firefly.inp (generated)

000777925.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000777925.mol 000777925.PUBCHEM 000777925.mol (via Jmol)
000777928.b3lyp_6-31g(d).inp

000777928.b3lyp_6-31g(d).qchem.inp (generated)

000777928.b3lyp_6-31g(d).gjf (generated)

000777928.b3lyp_6-31g(d).firefly.inp (generated)

000777928.b3lyp_6-31g(d).smash.inp (generated)

000777928.b3lyp_6-31g(d).nwchem.inp (generated) 000777928.b3lyp_6-31g(d).log.xz 000777928.td-b3lyp_6-31g+(d).inp 000777928.td-b3lyp_6-31g+(d).log.xz

000777928.td-b3lyp_6-31+g(d).qchem.inp (generated)

000777928.td-b3lyp_6-31+g(d).gjf (generated)

000777928.td-b3lyp_6-31+g(d).firefly.inp (generated)

000777928.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000777928.mol 000777928.PUBCHEM 000777928.mol (via Jmol)
000777944.b3lyp_6-31g(d).inp

000777944.b3lyp_6-31g(d).qchem.inp (generated)

000777944.b3lyp_6-31g(d).gjf (generated)

000777944.b3lyp_6-31g(d).firefly.inp (generated)

000777944.b3lyp_6-31g(d).smash.inp (generated)

000777944.b3lyp_6-31g(d).nwchem.inp (generated) 000777944.b3lyp_6-31g(d).log.xz 000777944.td-b3lyp_6-31g+(d).inp 000777944.td-b3lyp_6-31g+(d).log.xz

000777944.td-b3lyp_6-31+g(d).qchem.inp (generated)

000777944.td-b3lyp_6-31+g(d).gjf (generated)

000777944.td-b3lyp_6-31+g(d).firefly.inp (generated)

000777944.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000777944.mol 000777944.PUBCHEM 000777944.mol (via Jmol)
000777957.b3lyp_6-31g(d).inp

000777957.b3lyp_6-31g(d).qchem.inp (generated)

000777957.b3lyp_6-31g(d).gjf (generated)

000777957.b3lyp_6-31g(d).firefly.inp (generated)

000777957.b3lyp_6-31g(d).smash.inp (generated)

000777957.b3lyp_6-31g(d).nwchem.inp (generated) 000777957.b3lyp_6-31g(d).log.xz 000777957.td-b3lyp_6-31g+(d).inp 000777957.td-b3lyp_6-31g+(d).log.xz

000777957.td-b3lyp_6-31+g(d).qchem.inp (generated)

000777957.td-b3lyp_6-31+g(d).gjf (generated)

000777957.td-b3lyp_6-31+g(d).firefly.inp (generated)

000777957.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000777957.mol 000777957.PUBCHEM 000777957.mol (via Jmol)
000777985.b3lyp_6-31g(d).inp

000777985.b3lyp_6-31g(d).qchem.inp (generated)

000777985.b3lyp_6-31g(d).gjf (generated)

000777985.b3lyp_6-31g(d).firefly.inp (generated)

000777985.b3lyp_6-31g(d).smash.inp (generated)

000777985.b3lyp_6-31g(d).nwchem.inp (generated) 000777985.b3lyp_6-31g(d).log.xz 000777985.td-b3lyp_6-31g+(d).inp 000777985.td-b3lyp_6-31g+(d).log.xz

000777985.td-b3lyp_6-31+g(d).qchem.inp (generated)

000777985.td-b3lyp_6-31+g(d).gjf (generated)

000777985.td-b3lyp_6-31+g(d).firefly.inp (generated)

000777985.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000777985.mol 000777985.PUBCHEM 000777985.mol (via Jmol)
000777987.b3lyp_6-31g(d).inp

000777987.b3lyp_6-31g(d).qchem.inp (generated)

000777987.b3lyp_6-31g(d).gjf (generated)

000777987.b3lyp_6-31g(d).firefly.inp (generated)

000777987.b3lyp_6-31g(d).smash.inp (generated)

000777987.b3lyp_6-31g(d).nwchem.inp (generated) 000777987.b3lyp_6-31g(d).log.xz 000777987.td-b3lyp_6-31g+(d).inp 000777987.td-b3lyp_6-31g+(d).log.xz

000777987.td-b3lyp_6-31+g(d).qchem.inp (generated)

000777987.td-b3lyp_6-31+g(d).gjf (generated)

000777987.td-b3lyp_6-31+g(d).firefly.inp (generated)

000777987.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000777987.mol 000777987.PUBCHEM 000777987.mol (via Jmol)
000777988.b3lyp_6-31g(d).inp

000777988.b3lyp_6-31g(d).qchem.inp (generated)

000777988.b3lyp_6-31g(d).gjf (generated)

000777988.b3lyp_6-31g(d).firefly.inp (generated)

000777988.b3lyp_6-31g(d).smash.inp (generated)

000777988.b3lyp_6-31g(d).nwchem.inp (generated) 000777988.b3lyp_6-31g(d).log.xz 000777988.mol 000777988.PUBCHEM 000777988.mol (via Jmol)
000777996.b3lyp_6-31g(d).inp

000777996.b3lyp_6-31g(d).qchem.inp (generated)

000777996.b3lyp_6-31g(d).gjf (generated)

000777996.b3lyp_6-31g(d).firefly.inp (generated)

000777996.b3lyp_6-31g(d).smash.inp (generated)

000777996.b3lyp_6-31g(d).nwchem.inp (generated) 000777996.b3lyp_6-31g(d).log.xz 000777996.td-b3lyp_6-31g+(d).inp 000777996.td-b3lyp_6-31g+(d).log.xz

000777996.td-b3lyp_6-31+g(d).qchem.inp (generated)

000777996.td-b3lyp_6-31+g(d).gjf (generated)

000777996.td-b3lyp_6-31+g(d).firefly.inp (generated)

000777996.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000777996.mol 000777996.PUBCHEM 000777996.mol (via Jmol)
000778034.b3lyp_6-31g(d).inp

000778034.b3lyp_6-31g(d).qchem.inp (generated)

000778034.b3lyp_6-31g(d).gjf (generated)

000778034.b3lyp_6-31g(d).firefly.inp (generated)

000778034.b3lyp_6-31g(d).smash.inp (generated)

000778034.b3lyp_6-31g(d).nwchem.inp (generated) 000778034.b3lyp_6-31g(d).log.xz 000778034.mol 000778034.PUBCHEM 000778034.mol (via Jmol)
000778051.b3lyp_6-31g(d).inp

000778051.b3lyp_6-31g(d).qchem.inp (generated)

000778051.b3lyp_6-31g(d).gjf (generated)

000778051.b3lyp_6-31g(d).firefly.inp (generated)

000778051.b3lyp_6-31g(d).smash.inp (generated)

000778051.b3lyp_6-31g(d).nwchem.inp (generated) 000778051.b3lyp_6-31g(d).log.xz 000778051.td-b3lyp_6-31g+(d).inp 000778051.td-b3lyp_6-31g+(d).log.xz

000778051.td-b3lyp_6-31+g(d).qchem.inp (generated)

000778051.td-b3lyp_6-31+g(d).gjf (generated)

000778051.td-b3lyp_6-31+g(d).firefly.inp (generated)

000778051.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000778051.mol 000778051.PUBCHEM 000778051.mol (via Jmol)
000778052.b3lyp_6-31g(d).inp

000778052.b3lyp_6-31g(d).qchem.inp (generated)

000778052.b3lyp_6-31g(d).gjf (generated)

000778052.b3lyp_6-31g(d).firefly.inp (generated)

000778052.b3lyp_6-31g(d).smash.inp (generated)

000778052.b3lyp_6-31g(d).nwchem.inp (generated) 000778052.b3lyp_6-31g(d).log.xz 000778052.td-b3lyp_6-31g+(d).inp 000778052.td-b3lyp_6-31g+(d).log.xz

000778052.td-b3lyp_6-31+g(d).qchem.inp (generated)

000778052.td-b3lyp_6-31+g(d).gjf (generated)

000778052.td-b3lyp_6-31+g(d).firefly.inp (generated)

000778052.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000778052.mol 000778052.PUBCHEM 000778052.mol (via Jmol)
000778082.b3lyp_6-31g(d).inp

000778082.b3lyp_6-31g(d).qchem.inp (generated)

000778082.b3lyp_6-31g(d).gjf (generated)

000778082.b3lyp_6-31g(d).firefly.inp (generated)

000778082.b3lyp_6-31g(d).smash.inp (generated)

000778082.b3lyp_6-31g(d).nwchem.inp (generated) 000778082.b3lyp_6-31g(d).log.xz 000778082.td-b3lyp_6-31g+(d).inp 000778082.td-b3lyp_6-31g+(d).log.xz

000778082.td-b3lyp_6-31+g(d).qchem.inp (generated)

000778082.td-b3lyp_6-31+g(d).gjf (generated)

000778082.td-b3lyp_6-31+g(d).firefly.inp (generated)

000778082.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000778082.mol 000778082.PUBCHEM 000778082.mol (via Jmol)
000778085.b3lyp_6-31g(d).inp

000778085.b3lyp_6-31g(d).qchem.inp (generated)

000778085.b3lyp_6-31g(d).gjf (generated)

000778085.b3lyp_6-31g(d).firefly.inp (generated)

000778085.b3lyp_6-31g(d).smash.inp (generated)

000778085.b3lyp_6-31g(d).nwchem.inp (generated) 000778085.b3lyp_6-31g(d).log.xz 000778085.mol 000778085.PUBCHEM 000778085.mol (via Jmol)
000778086.b3lyp_6-31g(d).inp

000778086.b3lyp_6-31g(d).qchem.inp (generated)

000778086.b3lyp_6-31g(d).gjf (generated)

000778086.b3lyp_6-31g(d).firefly.inp (generated)

000778086.b3lyp_6-31g(d).smash.inp (generated)

000778086.b3lyp_6-31g(d).nwchem.inp (generated) 000778086.b3lyp_6-31g(d).log.xz 000778086.mol 000778086.PUBCHEM 000778086.mol (via Jmol)
000778090.b3lyp_6-31g(d).inp

000778090.b3lyp_6-31g(d).qchem.inp (generated)

000778090.b3lyp_6-31g(d).gjf (generated)

000778090.b3lyp_6-31g(d).firefly.inp (generated)

000778090.b3lyp_6-31g(d).smash.inp (generated)

000778090.b3lyp_6-31g(d).nwchem.inp (generated) 000778090.b3lyp_6-31g(d).log.xz 000778090.td-b3lyp_6-31g+(d).inp 000778090.td-b3lyp_6-31g+(d).log.xz

000778090.td-b3lyp_6-31+g(d).qchem.inp (generated)

000778090.td-b3lyp_6-31+g(d).gjf (generated)

000778090.td-b3lyp_6-31+g(d).firefly.inp (generated)

000778090.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000778090.mol 000778090.PUBCHEM 000778090.mol (via Jmol)
000778093.b3lyp_6-31g(d).inp

000778093.b3lyp_6-31g(d).qchem.inp (generated)

000778093.b3lyp_6-31g(d).gjf (generated)

000778093.b3lyp_6-31g(d).firefly.inp (generated)

000778093.b3lyp_6-31g(d).smash.inp (generated)

000778093.b3lyp_6-31g(d).nwchem.inp (generated) 000778093.b3lyp_6-31g(d).log.xz 000778093.mol 000778093.PUBCHEM 000778093.mol (via Jmol)
000778094.b3lyp_6-31g(d).inp

000778094.b3lyp_6-31g(d).qchem.inp (generated)

000778094.b3lyp_6-31g(d).gjf (generated)

000778094.b3lyp_6-31g(d).firefly.inp (generated)

000778094.b3lyp_6-31g(d).smash.inp (generated)

000778094.b3lyp_6-31g(d).nwchem.inp (generated) 000778094.b3lyp_6-31g(d).log.xz 000778094.mol 000778094.PUBCHEM 000778094.mol (via Jmol)
000778106.b3lyp_6-31g(d).inp

000778106.b3lyp_6-31g(d).qchem.inp (generated)

000778106.b3lyp_6-31g(d).gjf (generated)

000778106.b3lyp_6-31g(d).firefly.inp (generated)

000778106.b3lyp_6-31g(d).smash.inp (generated)

000778106.b3lyp_6-31g(d).nwchem.inp (generated) 000778106.b3lyp_6-31g(d).log.xz 000778106.mol 000778106.PUBCHEM 000778106.mol (via Jmol)
000778122.b3lyp_6-31g(d).inp

000778122.b3lyp_6-31g(d).qchem.inp (generated)

000778122.b3lyp_6-31g(d).gjf (generated)

000778122.b3lyp_6-31g(d).firefly.inp (generated)

000778122.b3lyp_6-31g(d).smash.inp (generated)

000778122.b3lyp_6-31g(d).nwchem.inp (generated) 000778122.b3lyp_6-31g(d).log.xz 000778122.mol 000778122.PUBCHEM 000778122.mol (via Jmol)
000778128.b3lyp_6-31g(d).inp

000778128.b3lyp_6-31g(d).qchem.inp (generated)

000778128.b3lyp_6-31g(d).gjf (generated)

000778128.b3lyp_6-31g(d).firefly.inp (generated)

000778128.b3lyp_6-31g(d).smash.inp (generated)

000778128.b3lyp_6-31g(d).nwchem.inp (generated) 000778128.b3lyp_6-31g(d).log.xz 000778128.td-b3lyp_6-31g+(d).inp 000778128.td-b3lyp_6-31g+(d).log.xz

000778128.td-b3lyp_6-31+g(d).qchem.inp (generated)

000778128.td-b3lyp_6-31+g(d).gjf (generated)

000778128.td-b3lyp_6-31+g(d).firefly.inp (generated)

000778128.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000778128.mol 000778128.PUBCHEM 000778128.mol (via Jmol)
000778173.b3lyp_6-31g(d).inp

000778173.b3lyp_6-31g(d).qchem.inp (generated)

000778173.b3lyp_6-31g(d).gjf (generated)

000778173.b3lyp_6-31g(d).firefly.inp (generated)

000778173.b3lyp_6-31g(d).smash.inp (generated)

000778173.b3lyp_6-31g(d).nwchem.inp (generated) 000778173.b3lyp_6-31g(d).log.xz 000778173.td-b3lyp_6-31g+(d).inp 000778173.td-b3lyp_6-31g+(d).log.xz

000778173.td-b3lyp_6-31+g(d).qchem.inp (generated)

000778173.td-b3lyp_6-31+g(d).gjf (generated)

000778173.td-b3lyp_6-31+g(d).firefly.inp (generated)

000778173.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000778173.mol 000778173.PUBCHEM 000778173.mol (via Jmol)
000778188.b3lyp_6-31g(d).inp

000778188.b3lyp_6-31g(d).qchem.inp (generated)

000778188.b3lyp_6-31g(d).gjf (generated)

000778188.b3lyp_6-31g(d).firefly.inp (generated)

000778188.b3lyp_6-31g(d).smash.inp (generated)

000778188.b3lyp_6-31g(d).nwchem.inp (generated) 000778188.b3lyp_6-31g(d).log.xz 000778188.td-b3lyp_6-31g+(d).inp 000778188.td-b3lyp_6-31g+(d).log.xz

000778188.td-b3lyp_6-31+g(d).qchem.inp (generated)

000778188.td-b3lyp_6-31+g(d).gjf (generated)

000778188.td-b3lyp_6-31+g(d).firefly.inp (generated)

000778188.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000778188.mol 000778188.PUBCHEM 000778188.mol (via Jmol)
000778197.b3lyp_6-31g(d).inp

000778197.b3lyp_6-31g(d).qchem.inp (generated)

000778197.b3lyp_6-31g(d).gjf (generated)

000778197.b3lyp_6-31g(d).firefly.inp (generated)

000778197.b3lyp_6-31g(d).smash.inp (generated)

000778197.b3lyp_6-31g(d).nwchem.inp (generated) 000778197.b3lyp_6-31g(d).log.xz 000778197.td-b3lyp_6-31g+(d).inp 000778197.td-b3lyp_6-31g+(d).log.xz

000778197.td-b3lyp_6-31+g(d).qchem.inp (generated)

000778197.td-b3lyp_6-31+g(d).gjf (generated)

000778197.td-b3lyp_6-31+g(d).firefly.inp (generated)

000778197.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000778197.mol 000778197.PUBCHEM 000778197.mol (via Jmol)
000778200.b3lyp_6-31g(d).inp

000778200.b3lyp_6-31g(d).qchem.inp (generated)

000778200.b3lyp_6-31g(d).gjf (generated)

000778200.b3lyp_6-31g(d).firefly.inp (generated)

000778200.b3lyp_6-31g(d).smash.inp (generated)

000778200.b3lyp_6-31g(d).nwchem.inp (generated) 000778200.b3lyp_6-31g(d).log.xz 000778200.td-b3lyp_6-31g+(d).inp 000778200.td-b3lyp_6-31g+(d).log.xz

000778200.td-b3lyp_6-31+g(d).qchem.inp (generated)

000778200.td-b3lyp_6-31+g(d).gjf (generated)

000778200.td-b3lyp_6-31+g(d).firefly.inp (generated)

000778200.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000778200.mol 000778200.PUBCHEM 000778200.mol (via Jmol)
000778201.b3lyp_6-31g(d).inp

000778201.b3lyp_6-31g(d).qchem.inp (generated)

000778201.b3lyp_6-31g(d).gjf (generated)

000778201.b3lyp_6-31g(d).firefly.inp (generated)

000778201.b3lyp_6-31g(d).smash.inp (generated)

000778201.b3lyp_6-31g(d).nwchem.inp (generated) 000778201.b3lyp_6-31g(d).log.xz 000778201.td-b3lyp_6-31g+(d).inp 000778201.td-b3lyp_6-31g+(d).log.xz

000778201.td-b3lyp_6-31+g(d).qchem.inp (generated)

000778201.td-b3lyp_6-31+g(d).gjf (generated)

000778201.td-b3lyp_6-31+g(d).firefly.inp (generated)

000778201.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000778201.mol 000778201.PUBCHEM 000778201.mol (via Jmol)
000778202.b3lyp_6-31g(d).inp

000778202.b3lyp_6-31g(d).qchem.inp (generated)

000778202.b3lyp_6-31g(d).gjf (generated)

000778202.b3lyp_6-31g(d).firefly.inp (generated)

000778202.b3lyp_6-31g(d).smash.inp (generated)

000778202.b3lyp_6-31g(d).nwchem.inp (generated) 000778202.b3lyp_6-31g(d).log.xz 000778202.td-b3lyp_6-31g+(d).inp 000778202.td-b3lyp_6-31g+(d).log.xz

000778202.td-b3lyp_6-31+g(d).qchem.inp (generated)

000778202.td-b3lyp_6-31+g(d).gjf (generated)

000778202.td-b3lyp_6-31+g(d).firefly.inp (generated)

000778202.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000778202.mol 000778202.PUBCHEM 000778202.mol (via Jmol)
000778221.b3lyp_6-31g(d).inp

000778221.b3lyp_6-31g(d).qchem.inp (generated)

000778221.b3lyp_6-31g(d).gjf (generated)

000778221.b3lyp_6-31g(d).firefly.inp (generated)

000778221.b3lyp_6-31g(d).smash.inp (generated)

000778221.b3lyp_6-31g(d).nwchem.inp (generated) 000778221.b3lyp_6-31g(d).log.xz 000778221.td-b3lyp_6-31g+(d).inp 000778221.td-b3lyp_6-31g+(d).log.xz

000778221.td-b3lyp_6-31+g(d).qchem.inp (generated)

000778221.td-b3lyp_6-31+g(d).gjf (generated)

000778221.td-b3lyp_6-31+g(d).firefly.inp (generated)

000778221.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000778221.mol 000778221.PUBCHEM 000778221.mol (via Jmol)
000778234.b3lyp_6-31g(d).inp

000778234.b3lyp_6-31g(d).qchem.inp (generated)

000778234.b3lyp_6-31g(d).gjf (generated)

000778234.b3lyp_6-31g(d).firefly.inp (generated)

000778234.b3lyp_6-31g(d).smash.inp (generated)

000778234.b3lyp_6-31g(d).nwchem.inp (generated) 000778234.b3lyp_6-31g(d).log.xz 000778234.td-b3lyp_6-31g+(d).inp 000778234.td-b3lyp_6-31g+(d).log.xz

000778234.td-b3lyp_6-31+g(d).qchem.inp (generated)

000778234.td-b3lyp_6-31+g(d).gjf (generated)

000778234.td-b3lyp_6-31+g(d).firefly.inp (generated)

000778234.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000778234.mol 000778234.PUBCHEM 000778234.mol (via Jmol)
000778243.b3lyp_6-31g(d).inp

000778243.b3lyp_6-31g(d).qchem.inp (generated)

000778243.b3lyp_6-31g(d).gjf (generated)

000778243.b3lyp_6-31g(d).firefly.inp (generated)

000778243.b3lyp_6-31g(d).smash.inp (generated)

000778243.b3lyp_6-31g(d).nwchem.inp (generated) 000778243.b3lyp_6-31g(d).log.xz 000778243.mol 000778243.PUBCHEM 000778243.mol (via Jmol)
000778247.b3lyp_6-31g(d).inp

000778247.b3lyp_6-31g(d).qchem.inp (generated)

000778247.b3lyp_6-31g(d).gjf (generated)

000778247.b3lyp_6-31g(d).firefly.inp (generated)

000778247.b3lyp_6-31g(d).smash.inp (generated)

000778247.b3lyp_6-31g(d).nwchem.inp (generated) 000778247.b3lyp_6-31g(d).log.xz 000778247.td-b3lyp_6-31g+(d).inp 000778247.td-b3lyp_6-31g+(d).log.xz

000778247.td-b3lyp_6-31+g(d).qchem.inp (generated)

000778247.td-b3lyp_6-31+g(d).gjf (generated)

000778247.td-b3lyp_6-31+g(d).firefly.inp (generated)

000778247.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000778247.mol 000778247.PUBCHEM 000778247.mol (via Jmol)
000778250.b3lyp_6-31g(d).inp

000778250.b3lyp_6-31g(d).qchem.inp (generated)

000778250.b3lyp_6-31g(d).gjf (generated)

000778250.b3lyp_6-31g(d).firefly.inp (generated)

000778250.b3lyp_6-31g(d).smash.inp (generated)

000778250.b3lyp_6-31g(d).nwchem.inp (generated) 000778250.b3lyp_6-31g(d).log.xz 000778250.mol 000778250.PUBCHEM 000778250.mol (via Jmol)
000778368.b3lyp_6-31g(d).inp

000778368.b3lyp_6-31g(d).qchem.inp (generated)

000778368.b3lyp_6-31g(d).gjf (generated)

000778368.b3lyp_6-31g(d).firefly.inp (generated)

000778368.b3lyp_6-31g(d).smash.inp (generated)

000778368.b3lyp_6-31g(d).nwchem.inp (generated) 000778368.b3lyp_6-31g(d).log.xz 000778368.mol 000778368.PUBCHEM 000778368.mol (via Jmol)
000778451.b3lyp_6-31g(d).inp

000778451.b3lyp_6-31g(d).qchem.inp (generated)

000778451.b3lyp_6-31g(d).gjf (generated)

000778451.b3lyp_6-31g(d).firefly.inp (generated)

000778451.b3lyp_6-31g(d).smash.inp (generated)

000778451.b3lyp_6-31g(d).nwchem.inp (generated) 000778451.b3lyp_6-31g(d).log.xz 000778451.td-b3lyp_6-31g+(d).inp 000778451.td-b3lyp_6-31g+(d).log.xz

000778451.td-b3lyp_6-31+g(d).qchem.inp (generated)

000778451.td-b3lyp_6-31+g(d).gjf (generated)

000778451.td-b3lyp_6-31+g(d).firefly.inp (generated)

000778451.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000778451.mol 000778451.PUBCHEM 000778451.mol (via Jmol)
000778452.b3lyp_6-31g(d).inp

000778452.b3lyp_6-31g(d).qchem.inp (generated)

000778452.b3lyp_6-31g(d).gjf (generated)

000778452.b3lyp_6-31g(d).firefly.inp (generated)

000778452.b3lyp_6-31g(d).smash.inp (generated)

000778452.b3lyp_6-31g(d).nwchem.inp (generated) 000778452.b3lyp_6-31g(d).log.xz 000778452.td-b3lyp_6-31g+(d).inp 000778452.td-b3lyp_6-31g+(d).log.xz

000778452.td-b3lyp_6-31+g(d).qchem.inp (generated)

000778452.td-b3lyp_6-31+g(d).gjf (generated)

000778452.td-b3lyp_6-31+g(d).firefly.inp (generated)

000778452.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000778452.mol 000778452.PUBCHEM 000778452.mol (via Jmol)
000778453.b3lyp_6-31g(d).inp

000778453.b3lyp_6-31g(d).qchem.inp (generated)

000778453.b3lyp_6-31g(d).gjf (generated)

000778453.b3lyp_6-31g(d).firefly.inp (generated)

000778453.b3lyp_6-31g(d).smash.inp (generated)

000778453.b3lyp_6-31g(d).nwchem.inp (generated) 000778453.b3lyp_6-31g(d).log.xz 000778453.td-b3lyp_6-31g+(d).inp 000778453.td-b3lyp_6-31g+(d).log.xz

000778453.td-b3lyp_6-31+g(d).qchem.inp (generated)

000778453.td-b3lyp_6-31+g(d).gjf (generated)

000778453.td-b3lyp_6-31+g(d).firefly.inp (generated)

000778453.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000778453.mol 000778453.PUBCHEM 000778453.mol (via Jmol)
000778461.b3lyp_6-31g(d).inp

000778461.b3lyp_6-31g(d).qchem.inp (generated)

000778461.b3lyp_6-31g(d).gjf (generated)

000778461.b3lyp_6-31g(d).firefly.inp (generated)

000778461.b3lyp_6-31g(d).smash.inp (generated)

000778461.b3lyp_6-31g(d).nwchem.inp (generated) 000778461.b3lyp_6-31g(d).log.xz 000778461.td-b3lyp_6-31g+(d).inp 000778461.td-b3lyp_6-31g+(d).log.xz

000778461.td-b3lyp_6-31+g(d).qchem.inp (generated)

000778461.td-b3lyp_6-31+g(d).gjf (generated)

000778461.td-b3lyp_6-31+g(d).firefly.inp (generated)

000778461.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000778461.mol 000778461.PUBCHEM 000778461.mol (via Jmol)
000778462.b3lyp_6-31g(d).inp

000778462.b3lyp_6-31g(d).qchem.inp (generated)

000778462.b3lyp_6-31g(d).gjf (generated)

000778462.b3lyp_6-31g(d).firefly.inp (generated)

000778462.b3lyp_6-31g(d).smash.inp (generated)

000778462.b3lyp_6-31g(d).nwchem.inp (generated) 000778462.b3lyp_6-31g(d).log.xz 000778462.mol 000778462.PUBCHEM 000778462.mol (via Jmol)
000778465.b3lyp_6-31g(d).inp

000778465.b3lyp_6-31g(d).qchem.inp (generated)

000778465.b3lyp_6-31g(d).gjf (generated)

000778465.b3lyp_6-31g(d).firefly.inp (generated)

000778465.b3lyp_6-31g(d).smash.inp (generated)

000778465.b3lyp_6-31g(d).nwchem.inp (generated) 000778465.b3lyp_6-31g(d).log.xz 000778465.td-b3lyp_6-31g+(d).inp 000778465.td-b3lyp_6-31g+(d).log.xz

000778465.td-b3lyp_6-31+g(d).qchem.inp (generated)

000778465.td-b3lyp_6-31+g(d).gjf (generated)

000778465.td-b3lyp_6-31+g(d).firefly.inp (generated)

000778465.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000778465.mol 000778465.PUBCHEM 000778465.mol (via Jmol)
000778468.b3lyp_6-31g(d).inp

000778468.b3lyp_6-31g(d).qchem.inp (generated)

000778468.b3lyp_6-31g(d).gjf (generated)

000778468.b3lyp_6-31g(d).firefly.inp (generated)

000778468.b3lyp_6-31g(d).smash.inp (generated)

000778468.b3lyp_6-31g(d).nwchem.inp (generated) 000778468.b3lyp_6-31g(d).log.xz 000778468.td-b3lyp_6-31g+(d).inp 000778468.td-b3lyp_6-31g+(d).log.xz

000778468.td-b3lyp_6-31+g(d).qchem.inp (generated)

000778468.td-b3lyp_6-31+g(d).gjf (generated)

000778468.td-b3lyp_6-31+g(d).firefly.inp (generated)

000778468.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000778468.mol 000778468.PUBCHEM 000778468.mol (via Jmol)
000778469.b3lyp_6-31g(d).inp

000778469.b3lyp_6-31g(d).qchem.inp (generated)

000778469.b3lyp_6-31g(d).gjf (generated)

000778469.b3lyp_6-31g(d).firefly.inp (generated)

000778469.b3lyp_6-31g(d).smash.inp (generated)

000778469.b3lyp_6-31g(d).nwchem.inp (generated) 000778469.b3lyp_6-31g(d).log.xz 000778469.td-b3lyp_6-31g+(d).inp 000778469.td-b3lyp_6-31g+(d).log.xz

000778469.td-b3lyp_6-31+g(d).qchem.inp (generated)

000778469.td-b3lyp_6-31+g(d).gjf (generated)

000778469.td-b3lyp_6-31+g(d).firefly.inp (generated)

000778469.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000778469.mol 000778469.PUBCHEM 000778469.mol (via Jmol)
000778473.b3lyp_6-31g(d).inp

000778473.b3lyp_6-31g(d).qchem.inp (generated)

000778473.b3lyp_6-31g(d).gjf (generated)

000778473.b3lyp_6-31g(d).firefly.inp (generated)

000778473.b3lyp_6-31g(d).smash.inp (generated)

000778473.b3lyp_6-31g(d).nwchem.inp (generated) 000778473.b3lyp_6-31g(d).log.xz 000778473.td-b3lyp_6-31g+(d).inp 000778473.td-b3lyp_6-31g+(d).log.xz

000778473.td-b3lyp_6-31+g(d).qchem.inp (generated)

000778473.td-b3lyp_6-31+g(d).gjf (generated)

000778473.td-b3lyp_6-31+g(d).firefly.inp (generated)

000778473.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000778473.mol 000778473.PUBCHEM 000778473.mol (via Jmol)
000778474.b3lyp_6-31g(d).inp

000778474.b3lyp_6-31g(d).qchem.inp (generated)

000778474.b3lyp_6-31g(d).gjf (generated)

000778474.b3lyp_6-31g(d).firefly.inp (generated)

000778474.b3lyp_6-31g(d).smash.inp (generated)

000778474.b3lyp_6-31g(d).nwchem.inp (generated) 000778474.b3lyp_6-31g(d).log.xz 000778474.td-b3lyp_6-31g+(d).inp 000778474.td-b3lyp_6-31g+(d).log.xz

000778474.td-b3lyp_6-31+g(d).qchem.inp (generated)

000778474.td-b3lyp_6-31+g(d).gjf (generated)

000778474.td-b3lyp_6-31+g(d).firefly.inp (generated)

000778474.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000778474.mol 000778474.PUBCHEM 000778474.mol (via Jmol)
000778476.b3lyp_6-31g(d).inp

000778476.b3lyp_6-31g(d).qchem.inp (generated)

000778476.b3lyp_6-31g(d).gjf (generated)

000778476.b3lyp_6-31g(d).firefly.inp (generated)

000778476.b3lyp_6-31g(d).smash.inp (generated)

000778476.b3lyp_6-31g(d).nwchem.inp (generated) 000778476.b3lyp_6-31g(d).log.xz 000778476.td-b3lyp_6-31g+(d).inp 000778476.td-b3lyp_6-31g+(d).log.xz

000778476.td-b3lyp_6-31+g(d).qchem.inp (generated)

000778476.td-b3lyp_6-31+g(d).gjf (generated)

000778476.td-b3lyp_6-31+g(d).firefly.inp (generated)

000778476.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000778476.mol 000778476.PUBCHEM 000778476.mol (via Jmol)
000778479.b3lyp_6-31g(d).inp

000778479.b3lyp_6-31g(d).qchem.inp (generated)

000778479.b3lyp_6-31g(d).gjf (generated)

000778479.b3lyp_6-31g(d).firefly.inp (generated)

000778479.b3lyp_6-31g(d).smash.inp (generated)

000778479.b3lyp_6-31g(d).nwchem.inp (generated) 000778479.b3lyp_6-31g(d).log.xz 000778479.td-b3lyp_6-31g+(d).inp 000778479.td-b3lyp_6-31g+(d).log.xz

000778479.td-b3lyp_6-31+g(d).qchem.inp (generated)

000778479.td-b3lyp_6-31+g(d).gjf (generated)

000778479.td-b3lyp_6-31+g(d).firefly.inp (generated)

000778479.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000778479.mol 000778479.PUBCHEM 000778479.mol (via Jmol)
000778480.b3lyp_6-31g(d).inp

000778480.b3lyp_6-31g(d).qchem.inp (generated)

000778480.b3lyp_6-31g(d).gjf (generated)

000778480.b3lyp_6-31g(d).firefly.inp (generated)

000778480.b3lyp_6-31g(d).smash.inp (generated)

000778480.b3lyp_6-31g(d).nwchem.inp (generated) 000778480.b3lyp_6-31g(d).log.xz 000778480.td-b3lyp_6-31g+(d).inp 000778480.td-b3lyp_6-31g+(d).log.xz

000778480.td-b3lyp_6-31+g(d).qchem.inp (generated)

000778480.td-b3lyp_6-31+g(d).gjf (generated)

000778480.td-b3lyp_6-31+g(d).firefly.inp (generated)

000778480.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000778480.mol 000778480.PUBCHEM 000778480.mol (via Jmol)
000778481.b3lyp_6-31g(d).inp

000778481.b3lyp_6-31g(d).qchem.inp (generated)

000778481.b3lyp_6-31g(d).gjf (generated)

000778481.b3lyp_6-31g(d).firefly.inp (generated)

000778481.b3lyp_6-31g(d).smash.inp (generated)

000778481.b3lyp_6-31g(d).nwchem.inp (generated) 000778481.b3lyp_6-31g(d).log.xz 000778481.td-b3lyp_6-31g+(d).inp 000778481.td-b3lyp_6-31g+(d).log.xz

000778481.td-b3lyp_6-31+g(d).qchem.inp (generated)

000778481.td-b3lyp_6-31+g(d).gjf (generated)

000778481.td-b3lyp_6-31+g(d).firefly.inp (generated)

000778481.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000778481.mol 000778481.PUBCHEM 000778481.mol (via Jmol)
000778483.b3lyp_6-31g(d).inp

000778483.b3lyp_6-31g(d).qchem.inp (generated)

000778483.b3lyp_6-31g(d).gjf (generated)

000778483.b3lyp_6-31g(d).firefly.inp (generated)

000778483.b3lyp_6-31g(d).smash.inp (generated)

000778483.b3lyp_6-31g(d).nwchem.inp (generated) 000778483.b3lyp_6-31g(d).log.xz 000778483.td-b3lyp_6-31g+(d).inp 000778483.td-b3lyp_6-31g+(d).log.xz

000778483.td-b3lyp_6-31+g(d).qchem.inp (generated)

000778483.td-b3lyp_6-31+g(d).gjf (generated)

000778483.td-b3lyp_6-31+g(d).firefly.inp (generated)

000778483.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000778483.mol 000778483.PUBCHEM 000778483.mol (via Jmol)
000778484.b3lyp_6-31g(d).inp

000778484.b3lyp_6-31g(d).qchem.inp (generated)

000778484.b3lyp_6-31g(d).gjf (generated)

000778484.b3lyp_6-31g(d).firefly.inp (generated)

000778484.b3lyp_6-31g(d).smash.inp (generated)

000778484.b3lyp_6-31g(d).nwchem.inp (generated) 000778484.b3lyp_6-31g(d).log.xz 000778484.td-b3lyp_6-31g+(d).inp 000778484.td-b3lyp_6-31g+(d).log.xz

000778484.td-b3lyp_6-31+g(d).qchem.inp (generated)

000778484.td-b3lyp_6-31+g(d).gjf (generated)

000778484.td-b3lyp_6-31+g(d).firefly.inp (generated)

000778484.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000778484.mol 000778484.PUBCHEM 000778484.mol (via Jmol)
000778485.b3lyp_6-31g(d).inp

000778485.b3lyp_6-31g(d).qchem.inp (generated)

000778485.b3lyp_6-31g(d).gjf (generated)

000778485.b3lyp_6-31g(d).firefly.inp (generated)

000778485.b3lyp_6-31g(d).smash.inp (generated)

000778485.b3lyp_6-31g(d).nwchem.inp (generated) 000778485.b3lyp_6-31g(d).log.xz 000778485.td-b3lyp_6-31g+(d).inp 000778485.td-b3lyp_6-31g+(d).log.xz

000778485.td-b3lyp_6-31+g(d).qchem.inp (generated)

000778485.td-b3lyp_6-31+g(d).gjf (generated)

000778485.td-b3lyp_6-31+g(d).firefly.inp (generated)

000778485.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000778485.mol 000778485.PUBCHEM 000778485.mol (via Jmol)
000778490.b3lyp_6-31g(d).inp

000778490.b3lyp_6-31g(d).qchem.inp (generated)

000778490.b3lyp_6-31g(d).gjf (generated)

000778490.b3lyp_6-31g(d).firefly.inp (generated)

000778490.b3lyp_6-31g(d).smash.inp (generated)

000778490.b3lyp_6-31g(d).nwchem.inp (generated) 000778490.b3lyp_6-31g(d).log.xz 000778490.td-b3lyp_6-31g+(d).inp 000778490.td-b3lyp_6-31g+(d).log.xz

000778490.td-b3lyp_6-31+g(d).qchem.inp (generated)

000778490.td-b3lyp_6-31+g(d).gjf (generated)

000778490.td-b3lyp_6-31+g(d).firefly.inp (generated)

000778490.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000778490.mol 000778490.PUBCHEM 000778490.mol (via Jmol)
000778491.b3lyp_6-31g(d).inp

000778491.b3lyp_6-31g(d).qchem.inp (generated)

000778491.b3lyp_6-31g(d).gjf (generated)

000778491.b3lyp_6-31g(d).firefly.inp (generated)

000778491.b3lyp_6-31g(d).smash.inp (generated)

000778491.b3lyp_6-31g(d).nwchem.inp (generated) 000778491.b3lyp_6-31g(d).log.xz 000778491.td-b3lyp_6-31g+(d).inp 000778491.td-b3lyp_6-31g+(d).log.xz

000778491.td-b3lyp_6-31+g(d).qchem.inp (generated)

000778491.td-b3lyp_6-31+g(d).gjf (generated)

000778491.td-b3lyp_6-31+g(d).firefly.inp (generated)

000778491.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000778491.mol 000778491.PUBCHEM 000778491.mol (via Jmol)
000778492.b3lyp_6-31g(d).inp

000778492.b3lyp_6-31g(d).qchem.inp (generated)

000778492.b3lyp_6-31g(d).gjf (generated)

000778492.b3lyp_6-31g(d).firefly.inp (generated)

000778492.b3lyp_6-31g(d).smash.inp (generated)

000778492.b3lyp_6-31g(d).nwchem.inp (generated) 000778492.b3lyp_6-31g(d).log.xz 000778492.td-b3lyp_6-31g+(d).inp 000778492.td-b3lyp_6-31g+(d).log.xz

000778492.td-b3lyp_6-31+g(d).qchem.inp (generated)

000778492.td-b3lyp_6-31+g(d).gjf (generated)

000778492.td-b3lyp_6-31+g(d).firefly.inp (generated)

000778492.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000778492.mol 000778492.PUBCHEM 000778492.mol (via Jmol)
000778495.b3lyp_6-31g(d).inp

000778495.b3lyp_6-31g(d).qchem.inp (generated)

000778495.b3lyp_6-31g(d).gjf (generated)

000778495.b3lyp_6-31g(d).firefly.inp (generated)

000778495.b3lyp_6-31g(d).smash.inp (generated)

000778495.b3lyp_6-31g(d).nwchem.inp (generated) 000778495.b3lyp_6-31g(d).log.xz 000778495.td-b3lyp_6-31g+(d).inp 000778495.td-b3lyp_6-31g+(d).log.xz

000778495.td-b3lyp_6-31+g(d).qchem.inp (generated)

000778495.td-b3lyp_6-31+g(d).gjf (generated)

000778495.td-b3lyp_6-31+g(d).firefly.inp (generated)

000778495.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000778495.mol 000778495.PUBCHEM 000778495.mol (via Jmol)
000778496.b3lyp_6-31g(d).inp

000778496.b3lyp_6-31g(d).qchem.inp (generated)

000778496.b3lyp_6-31g(d).gjf (generated)

000778496.b3lyp_6-31g(d).firefly.inp (generated)

000778496.b3lyp_6-31g(d).smash.inp (generated)

000778496.b3lyp_6-31g(d).nwchem.inp (generated) 000778496.b3lyp_6-31g(d).log.xz 000778496.td-b3lyp_6-31g+(d).inp 000778496.td-b3lyp_6-31g+(d).log.xz

000778496.td-b3lyp_6-31+g(d).qchem.inp (generated)

000778496.td-b3lyp_6-31+g(d).gjf (generated)

000778496.td-b3lyp_6-31+g(d).firefly.inp (generated)

000778496.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000778496.mol 000778496.PUBCHEM 000778496.mol (via Jmol)
000778498.b3lyp_6-31g(d).inp

000778498.b3lyp_6-31g(d).qchem.inp (generated)

000778498.b3lyp_6-31g(d).gjf (generated)

000778498.b3lyp_6-31g(d).firefly.inp (generated)

000778498.b3lyp_6-31g(d).smash.inp (generated)

000778498.b3lyp_6-31g(d).nwchem.inp (generated) 000778498.b3lyp_6-31g(d).log.xz 000778498.td-b3lyp_6-31g+(d).inp 000778498.td-b3lyp_6-31g+(d).log.xz

000778498.td-b3lyp_6-31+g(d).qchem.inp (generated)

000778498.td-b3lyp_6-31+g(d).gjf (generated)

000778498.td-b3lyp_6-31+g(d).firefly.inp (generated)

000778498.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000778498.mol 000778498.PUBCHEM 000778498.mol (via Jmol)
000778500.b3lyp_6-31g(d).inp

000778500.b3lyp_6-31g(d).qchem.inp (generated)

000778500.b3lyp_6-31g(d).gjf (generated)

000778500.b3lyp_6-31g(d).firefly.inp (generated)

000778500.b3lyp_6-31g(d).smash.inp (generated)

000778500.b3lyp_6-31g(d).nwchem.inp (generated) 000778500.b3lyp_6-31g(d).log.xz 000778500.mol 000778500.PUBCHEM 000778500.mol (via Jmol)
000778501.b3lyp_6-31g(d).inp

000778501.b3lyp_6-31g(d).qchem.inp (generated)

000778501.b3lyp_6-31g(d).gjf (generated)

000778501.b3lyp_6-31g(d).firefly.inp (generated)

000778501.b3lyp_6-31g(d).smash.inp (generated)

000778501.b3lyp_6-31g(d).nwchem.inp (generated) 000778501.b3lyp_6-31g(d).log.xz 000778501.td-b3lyp_6-31g+(d).inp 000778501.td-b3lyp_6-31g+(d).log.xz

000778501.td-b3lyp_6-31+g(d).qchem.inp (generated)

000778501.td-b3lyp_6-31+g(d).gjf (generated)

000778501.td-b3lyp_6-31+g(d).firefly.inp (generated)

000778501.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000778501.mol 000778501.PUBCHEM 000778501.mol (via Jmol)
000778502.b3lyp_6-31g(d).inp

000778502.b3lyp_6-31g(d).qchem.inp (generated)

000778502.b3lyp_6-31g(d).gjf (generated)

000778502.b3lyp_6-31g(d).firefly.inp (generated)

000778502.b3lyp_6-31g(d).smash.inp (generated)

000778502.b3lyp_6-31g(d).nwchem.inp (generated) 000778502.b3lyp_6-31g(d).log.xz 000778502.mol 000778502.PUBCHEM 000778502.mol (via Jmol)
000778503.b3lyp_6-31g(d).inp

000778503.b3lyp_6-31g(d).qchem.inp (generated)

000778503.b3lyp_6-31g(d).gjf (generated)

000778503.b3lyp_6-31g(d).firefly.inp (generated)

000778503.b3lyp_6-31g(d).smash.inp (generated)

000778503.b3lyp_6-31g(d).nwchem.inp (generated) 000778503.b3lyp_6-31g(d).log.xz 000778503.td-b3lyp_6-31g+(d).inp 000778503.td-b3lyp_6-31g+(d).log.xz

000778503.td-b3lyp_6-31+g(d).qchem.inp (generated)

000778503.td-b3lyp_6-31+g(d).gjf (generated)

000778503.td-b3lyp_6-31+g(d).firefly.inp (generated)

000778503.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000778503.mol 000778503.PUBCHEM 000778503.mol (via Jmol)
000778505.b3lyp_6-31g(d).inp

000778505.b3lyp_6-31g(d).qchem.inp (generated)

000778505.b3lyp_6-31g(d).gjf (generated)

000778505.b3lyp_6-31g(d).firefly.inp (generated)

000778505.b3lyp_6-31g(d).smash.inp (generated)

000778505.b3lyp_6-31g(d).nwchem.inp (generated) 000778505.b3lyp_6-31g(d).log.xz 000778505.td-b3lyp_6-31g+(d).inp 000778505.td-b3lyp_6-31g+(d).log.xz

000778505.td-b3lyp_6-31+g(d).qchem.inp (generated)

000778505.td-b3lyp_6-31+g(d).gjf (generated)

000778505.td-b3lyp_6-31+g(d).firefly.inp (generated)

000778505.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000778505.mol 000778505.PUBCHEM 000778505.mol (via Jmol)
000778507.b3lyp_6-31g(d).inp

000778507.b3lyp_6-31g(d).qchem.inp (generated)

000778507.b3lyp_6-31g(d).gjf (generated)

000778507.b3lyp_6-31g(d).firefly.inp (generated)

000778507.b3lyp_6-31g(d).smash.inp (generated)

000778507.b3lyp_6-31g(d).nwchem.inp (generated) 000778507.b3lyp_6-31g(d).log.xz 000778507.td-b3lyp_6-31g+(d).inp 000778507.td-b3lyp_6-31g+(d).log.xz

000778507.td-b3lyp_6-31+g(d).qchem.inp (generated)

000778507.td-b3lyp_6-31+g(d).gjf (generated)

000778507.td-b3lyp_6-31+g(d).firefly.inp (generated)

000778507.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000778507.mol 000778507.PUBCHEM 000778507.mol (via Jmol)
000778509.b3lyp_6-31g(d).inp

000778509.b3lyp_6-31g(d).qchem.inp (generated)

000778509.b3lyp_6-31g(d).gjf (generated)

000778509.b3lyp_6-31g(d).firefly.inp (generated)

000778509.b3lyp_6-31g(d).smash.inp (generated)

000778509.b3lyp_6-31g(d).nwchem.inp (generated) 000778509.b3lyp_6-31g(d).log.xz 000778509.td-b3lyp_6-31g+(d).inp 000778509.td-b3lyp_6-31g+(d).log.xz

000778509.td-b3lyp_6-31+g(d).qchem.inp (generated)

000778509.td-b3lyp_6-31+g(d).gjf (generated)

000778509.td-b3lyp_6-31+g(d).firefly.inp (generated)

000778509.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000778509.mol 000778509.PUBCHEM 000778509.mol (via Jmol)
000778522.b3lyp_6-31g(d).inp

000778522.b3lyp_6-31g(d).qchem.inp (generated)

000778522.b3lyp_6-31g(d).gjf (generated)

000778522.b3lyp_6-31g(d).firefly.inp (generated)

000778522.b3lyp_6-31g(d).smash.inp (generated)

000778522.b3lyp_6-31g(d).nwchem.inp (generated) 000778522.b3lyp_6-31g(d).log.xz 000778522.td-b3lyp_6-31g+(d).inp 000778522.td-b3lyp_6-31g+(d).log.xz

000778522.td-b3lyp_6-31+g(d).qchem.inp (generated)

000778522.td-b3lyp_6-31+g(d).gjf (generated)

000778522.td-b3lyp_6-31+g(d).firefly.inp (generated)

000778522.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000778522.mol 000778522.PUBCHEM 000778522.mol (via Jmol)
000778532.b3lyp_6-31g(d).inp

000778532.b3lyp_6-31g(d).qchem.inp (generated)

000778532.b3lyp_6-31g(d).gjf (generated)

000778532.b3lyp_6-31g(d).firefly.inp (generated)

000778532.b3lyp_6-31g(d).smash.inp (generated)

000778532.b3lyp_6-31g(d).nwchem.inp (generated) 000778532.b3lyp_6-31g(d).log.xz 000778532.td-b3lyp_6-31g+(d).inp 000778532.td-b3lyp_6-31g+(d).log.xz

000778532.td-b3lyp_6-31+g(d).qchem.inp (generated)

000778532.td-b3lyp_6-31+g(d).gjf (generated)

000778532.td-b3lyp_6-31+g(d).firefly.inp (generated)

000778532.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000778532.mol 000778532.PUBCHEM 000778532.mol (via Jmol)
000778533.b3lyp_6-31g(d).inp

000778533.b3lyp_6-31g(d).qchem.inp (generated)

000778533.b3lyp_6-31g(d).gjf (generated)

000778533.b3lyp_6-31g(d).firefly.inp (generated)

000778533.b3lyp_6-31g(d).smash.inp (generated)

000778533.b3lyp_6-31g(d).nwchem.inp (generated) 000778533.b3lyp_6-31g(d).log.xz 000778533.td-b3lyp_6-31g+(d).inp 000778533.td-b3lyp_6-31g+(d).log.xz

000778533.td-b3lyp_6-31+g(d).qchem.inp (generated)

000778533.td-b3lyp_6-31+g(d).gjf (generated)

000778533.td-b3lyp_6-31+g(d).firefly.inp (generated)

000778533.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000778533.mol 000778533.PUBCHEM 000778533.mol (via Jmol)
000778539.b3lyp_6-31g(d).inp

000778539.b3lyp_6-31g(d).qchem.inp (generated)

000778539.b3lyp_6-31g(d).gjf (generated)

000778539.b3lyp_6-31g(d).firefly.inp (generated)

000778539.b3lyp_6-31g(d).smash.inp (generated)

000778539.b3lyp_6-31g(d).nwchem.inp (generated) 000778539.b3lyp_6-31g(d).log.xz 000778539.td-b3lyp_6-31g+(d).inp 000778539.td-b3lyp_6-31g+(d).log.xz

000778539.td-b3lyp_6-31+g(d).qchem.inp (generated)

000778539.td-b3lyp_6-31+g(d).gjf (generated)

000778539.td-b3lyp_6-31+g(d).firefly.inp (generated)

000778539.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000778539.mol 000778539.PUBCHEM 000778539.mol (via Jmol)
000778540.b3lyp_6-31g(d).inp

000778540.b3lyp_6-31g(d).qchem.inp (generated)

000778540.b3lyp_6-31g(d).gjf (generated)

000778540.b3lyp_6-31g(d).firefly.inp (generated)

000778540.b3lyp_6-31g(d).smash.inp (generated)

000778540.b3lyp_6-31g(d).nwchem.inp (generated) 000778540.b3lyp_6-31g(d).log.xz 000778540.td-b3lyp_6-31g+(d).inp 000778540.td-b3lyp_6-31g+(d).log.xz

000778540.td-b3lyp_6-31+g(d).qchem.inp (generated)

000778540.td-b3lyp_6-31+g(d).gjf (generated)

000778540.td-b3lyp_6-31+g(d).firefly.inp (generated)

000778540.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000778540.mol 000778540.PUBCHEM 000778540.mol (via Jmol)
000778564.b3lyp_6-31g(d).inp

000778564.b3lyp_6-31g(d).qchem.inp (generated)

000778564.b3lyp_6-31g(d).gjf (generated)

000778564.b3lyp_6-31g(d).firefly.inp (generated)

000778564.b3lyp_6-31g(d).smash.inp (generated)

000778564.b3lyp_6-31g(d).nwchem.inp (generated) 000778564.b3lyp_6-31g(d).log.xz 000778564.td-b3lyp_6-31g+(d).inp 000778564.td-b3lyp_6-31g+(d).log.xz

000778564.td-b3lyp_6-31+g(d).qchem.inp (generated)

000778564.td-b3lyp_6-31+g(d).gjf (generated)

000778564.td-b3lyp_6-31+g(d).firefly.inp (generated)

000778564.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000778564.mol 000778564.PUBCHEM 000778564.mol (via Jmol)
000778566.b3lyp_6-31g(d).inp

000778566.b3lyp_6-31g(d).qchem.inp (generated)

000778566.b3lyp_6-31g(d).gjf (generated)

000778566.b3lyp_6-31g(d).firefly.inp (generated)

000778566.b3lyp_6-31g(d).smash.inp (generated)

000778566.b3lyp_6-31g(d).nwchem.inp (generated) 000778566.b3lyp_6-31g(d).log.xz 000778566.td-b3lyp_6-31g+(d).inp 000778566.td-b3lyp_6-31g+(d).log.xz

000778566.td-b3lyp_6-31+g(d).qchem.inp (generated)

000778566.td-b3lyp_6-31+g(d).gjf (generated)

000778566.td-b3lyp_6-31+g(d).firefly.inp (generated)

000778566.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000778566.mol 000778566.PUBCHEM 000778566.mol (via Jmol)
000778574.b3lyp_6-31g(d).inp

000778574.b3lyp_6-31g(d).qchem.inp (generated)

000778574.b3lyp_6-31g(d).gjf (generated)

000778574.b3lyp_6-31g(d).firefly.inp (generated)

000778574.b3lyp_6-31g(d).smash.inp (generated)

000778574.b3lyp_6-31g(d).nwchem.inp (generated) 000778574.b3lyp_6-31g(d).log.xz 000778574.td-b3lyp_6-31g+(d).inp 000778574.td-b3lyp_6-31g+(d).log.xz

000778574.td-b3lyp_6-31+g(d).qchem.inp (generated)

000778574.td-b3lyp_6-31+g(d).gjf (generated)

000778574.td-b3lyp_6-31+g(d).firefly.inp (generated)

000778574.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000778574.mol 000778574.PUBCHEM 000778574.mol (via Jmol)
000778581.b3lyp_6-31g(d).inp

000778581.b3lyp_6-31g(d).qchem.inp (generated)

000778581.b3lyp_6-31g(d).gjf (generated)

000778581.b3lyp_6-31g(d).firefly.inp (generated)

000778581.b3lyp_6-31g(d).smash.inp (generated)

000778581.b3lyp_6-31g(d).nwchem.inp (generated) 000778581.b3lyp_6-31g(d).log.xz 000778581.mol 000778581.PUBCHEM 000778581.mol (via Jmol)
000778583.b3lyp_6-31g(d).inp

000778583.b3lyp_6-31g(d).qchem.inp (generated)

000778583.b3lyp_6-31g(d).gjf (generated)

000778583.b3lyp_6-31g(d).firefly.inp (generated)

000778583.b3lyp_6-31g(d).smash.inp (generated)

000778583.b3lyp_6-31g(d).nwchem.inp (generated) 000778583.b3lyp_6-31g(d).log.xz 000778583.td-b3lyp_6-31g+(d).inp 000778583.td-b3lyp_6-31g+(d).log.xz

000778583.td-b3lyp_6-31+g(d).qchem.inp (generated)

000778583.td-b3lyp_6-31+g(d).gjf (generated)

000778583.td-b3lyp_6-31+g(d).firefly.inp (generated)

000778583.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000778583.mol 000778583.PUBCHEM 000778583.mol (via Jmol)
000778588.b3lyp_6-31g(d).inp

000778588.b3lyp_6-31g(d).qchem.inp (generated)

000778588.b3lyp_6-31g(d).gjf (generated)

000778588.b3lyp_6-31g(d).firefly.inp (generated)

000778588.b3lyp_6-31g(d).smash.inp (generated)

000778588.b3lyp_6-31g(d).nwchem.inp (generated) 000778588.b3lyp_6-31g(d).log.xz 000778588.td-b3lyp_6-31g+(d).inp 000778588.td-b3lyp_6-31g+(d).log.xz

000778588.td-b3lyp_6-31+g(d).qchem.inp (generated)

000778588.td-b3lyp_6-31+g(d).gjf (generated)

000778588.td-b3lyp_6-31+g(d).firefly.inp (generated)

000778588.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000778588.mol 000778588.PUBCHEM 000778588.mol (via Jmol)
000778592.b3lyp_6-31g(d).inp

000778592.b3lyp_6-31g(d).qchem.inp (generated)

000778592.b3lyp_6-31g(d).gjf (generated)

000778592.b3lyp_6-31g(d).firefly.inp (generated)

000778592.b3lyp_6-31g(d).smash.inp (generated)

000778592.b3lyp_6-31g(d).nwchem.inp (generated) 000778592.b3lyp_6-31g(d).log.xz 000778592.td-b3lyp_6-31g+(d).inp 000778592.td-b3lyp_6-31g+(d).log.xz

000778592.td-b3lyp_6-31+g(d).qchem.inp (generated)

000778592.td-b3lyp_6-31+g(d).gjf (generated)

000778592.td-b3lyp_6-31+g(d).firefly.inp (generated)

000778592.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000778592.mol 000778592.PUBCHEM 000778592.mol (via Jmol)
000778593.b3lyp_6-31g(d).inp

000778593.b3lyp_6-31g(d).qchem.inp (generated)

000778593.b3lyp_6-31g(d).gjf (generated)

000778593.b3lyp_6-31g(d).firefly.inp (generated)

000778593.b3lyp_6-31g(d).smash.inp (generated)

000778593.b3lyp_6-31g(d).nwchem.inp (generated) 000778593.b3lyp_6-31g(d).log.xz 000778593.td-b3lyp_6-31g+(d).inp 000778593.td-b3lyp_6-31g+(d).log.xz

000778593.td-b3lyp_6-31+g(d).qchem.inp (generated)

000778593.td-b3lyp_6-31+g(d).gjf (generated)

000778593.td-b3lyp_6-31+g(d).firefly.inp (generated)

000778593.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000778593.mol 000778593.PUBCHEM 000778593.mol (via Jmol)
000778596.b3lyp_6-31g(d).inp

000778596.b3lyp_6-31g(d).qchem.inp (generated)

000778596.b3lyp_6-31g(d).gjf (generated)

000778596.b3lyp_6-31g(d).firefly.inp (generated)

000778596.b3lyp_6-31g(d).smash.inp (generated)

000778596.b3lyp_6-31g(d).nwchem.inp (generated) 000778596.b3lyp_6-31g(d).log.xz 000778596.td-b3lyp_6-31g+(d).inp 000778596.td-b3lyp_6-31g+(d).log.xz

000778596.td-b3lyp_6-31+g(d).qchem.inp (generated)

000778596.td-b3lyp_6-31+g(d).gjf (generated)

000778596.td-b3lyp_6-31+g(d).firefly.inp (generated)

000778596.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000778596.mol 000778596.PUBCHEM 000778596.mol (via Jmol)
000778597.b3lyp_6-31g(d).inp

000778597.b3lyp_6-31g(d).qchem.inp (generated)

000778597.b3lyp_6-31g(d).gjf (generated)

000778597.b3lyp_6-31g(d).firefly.inp (generated)

000778597.b3lyp_6-31g(d).smash.inp (generated)

000778597.b3lyp_6-31g(d).nwchem.inp (generated) 000778597.b3lyp_6-31g(d).log.xz 000778597.mol 000778597.PUBCHEM 000778597.mol (via Jmol)
000778602.b3lyp_6-31g(d).inp

000778602.b3lyp_6-31g(d).qchem.inp (generated)

000778602.b3lyp_6-31g(d).gjf (generated)

000778602.b3lyp_6-31g(d).firefly.inp (generated)

000778602.b3lyp_6-31g(d).smash.inp (generated)

000778602.b3lyp_6-31g(d).nwchem.inp (generated) 000778602.b3lyp_6-31g(d).log.xz 000778602.td-b3lyp_6-31g+(d).inp 000778602.td-b3lyp_6-31g+(d).log.xz

000778602.td-b3lyp_6-31+g(d).qchem.inp (generated)

000778602.td-b3lyp_6-31+g(d).gjf (generated)

000778602.td-b3lyp_6-31+g(d).firefly.inp (generated)

000778602.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000778602.mol 000778602.PUBCHEM 000778602.mol (via Jmol)
000778603.b3lyp_6-31g(d).inp

000778603.b3lyp_6-31g(d).qchem.inp (generated)

000778603.b3lyp_6-31g(d).gjf (generated)

000778603.b3lyp_6-31g(d).firefly.inp (generated)

000778603.b3lyp_6-31g(d).smash.inp (generated)

000778603.b3lyp_6-31g(d).nwchem.inp (generated) 000778603.b3lyp_6-31g(d).log.xz 000778603.td-b3lyp_6-31g+(d).inp 000778603.td-b3lyp_6-31g+(d).log.xz

000778603.td-b3lyp_6-31+g(d).qchem.inp (generated)

000778603.td-b3lyp_6-31+g(d).gjf (generated)

000778603.td-b3lyp_6-31+g(d).firefly.inp (generated)

000778603.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000778603.mol 000778603.PUBCHEM 000778603.mol (via Jmol)
000778604.b3lyp_6-31g(d).inp

000778604.b3lyp_6-31g(d).qchem.inp (generated)

000778604.b3lyp_6-31g(d).gjf (generated)

000778604.b3lyp_6-31g(d).firefly.inp (generated)

000778604.b3lyp_6-31g(d).smash.inp (generated)

000778604.b3lyp_6-31g(d).nwchem.inp (generated) 000778604.b3lyp_6-31g(d).log.xz 000778604.td-b3lyp_6-31g+(d).inp 000778604.td-b3lyp_6-31g+(d).log.xz

000778604.td-b3lyp_6-31+g(d).qchem.inp (generated)

000778604.td-b3lyp_6-31+g(d).gjf (generated)

000778604.td-b3lyp_6-31+g(d).firefly.inp (generated)

000778604.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000778604.mol 000778604.PUBCHEM 000778604.mol (via Jmol)
000778605.b3lyp_6-31g(d).inp

000778605.b3lyp_6-31g(d).qchem.inp (generated)

000778605.b3lyp_6-31g(d).gjf (generated)

000778605.b3lyp_6-31g(d).firefly.inp (generated)

000778605.b3lyp_6-31g(d).smash.inp (generated)

000778605.b3lyp_6-31g(d).nwchem.inp (generated) 000778605.b3lyp_6-31g(d).log.xz 000778605.td-b3lyp_6-31g+(d).inp 000778605.td-b3lyp_6-31g+(d).log.xz

000778605.td-b3lyp_6-31+g(d).qchem.inp (generated)

000778605.td-b3lyp_6-31+g(d).gjf (generated)

000778605.td-b3lyp_6-31+g(d).firefly.inp (generated)

000778605.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000778605.mol 000778605.PUBCHEM 000778605.mol (via Jmol)
000778606.b3lyp_6-31g(d).inp

000778606.b3lyp_6-31g(d).qchem.inp (generated)

000778606.b3lyp_6-31g(d).gjf (generated)

000778606.b3lyp_6-31g(d).firefly.inp (generated)

000778606.b3lyp_6-31g(d).smash.inp (generated)

000778606.b3lyp_6-31g(d).nwchem.inp (generated) 000778606.b3lyp_6-31g(d).log.xz 000778606.td-b3lyp_6-31g+(d).inp 000778606.td-b3lyp_6-31g+(d).log.xz

000778606.td-b3lyp_6-31+g(d).qchem.inp (generated)

000778606.td-b3lyp_6-31+g(d).gjf (generated)

000778606.td-b3lyp_6-31+g(d).firefly.inp (generated)

000778606.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000778606.mol 000778606.PUBCHEM 000778606.mol (via Jmol)
000778608.b3lyp_6-31g(d).inp

000778608.b3lyp_6-31g(d).qchem.inp (generated)

000778608.b3lyp_6-31g(d).gjf (generated)

000778608.b3lyp_6-31g(d).firefly.inp (generated)

000778608.b3lyp_6-31g(d).smash.inp (generated)

000778608.b3lyp_6-31g(d).nwchem.inp (generated) 000778608.b3lyp_6-31g(d).log.xz 000778608.td-b3lyp_6-31g+(d).inp 000778608.td-b3lyp_6-31g+(d).log.xz

000778608.td-b3lyp_6-31+g(d).qchem.inp (generated)

000778608.td-b3lyp_6-31+g(d).gjf (generated)

000778608.td-b3lyp_6-31+g(d).firefly.inp (generated)

000778608.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000778608.mol 000778608.PUBCHEM 000778608.mol (via Jmol)
000778610.b3lyp_6-31g(d).inp

000778610.b3lyp_6-31g(d).qchem.inp (generated)

000778610.b3lyp_6-31g(d).gjf (generated)

000778610.b3lyp_6-31g(d).firefly.inp (generated)

000778610.b3lyp_6-31g(d).smash.inp (generated)

000778610.b3lyp_6-31g(d).nwchem.inp (generated) 000778610.b3lyp_6-31g(d).log.xz 000778610.td-b3lyp_6-31g+(d).inp 000778610.td-b3lyp_6-31g+(d).log.xz

000778610.td-b3lyp_6-31+g(d).qchem.inp (generated)

000778610.td-b3lyp_6-31+g(d).gjf (generated)

000778610.td-b3lyp_6-31+g(d).firefly.inp (generated)

000778610.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000778610.mol 000778610.PUBCHEM 000778610.mol (via Jmol)
000778611.b3lyp_6-31g(d).inp

000778611.b3lyp_6-31g(d).qchem.inp (generated)

000778611.b3lyp_6-31g(d).gjf (generated)

000778611.b3lyp_6-31g(d).firefly.inp (generated)

000778611.b3lyp_6-31g(d).smash.inp (generated)

000778611.b3lyp_6-31g(d).nwchem.inp (generated) 000778611.b3lyp_6-31g(d).log.xz 000778611.td-b3lyp_6-31g+(d).inp 000778611.td-b3lyp_6-31g+(d).log.xz

000778611.td-b3lyp_6-31+g(d).qchem.inp (generated)

000778611.td-b3lyp_6-31+g(d).gjf (generated)

000778611.td-b3lyp_6-31+g(d).firefly.inp (generated)

000778611.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000778611.mol 000778611.PUBCHEM 000778611.mol (via Jmol)
000778612.b3lyp_6-31g(d).inp

000778612.b3lyp_6-31g(d).qchem.inp (generated)

000778612.b3lyp_6-31g(d).gjf (generated)

000778612.b3lyp_6-31g(d).firefly.inp (generated)

000778612.b3lyp_6-31g(d).smash.inp (generated)

000778612.b3lyp_6-31g(d).nwchem.inp (generated) 000778612.b3lyp_6-31g(d).log.xz 000778612.td-b3lyp_6-31g+(d).inp 000778612.td-b3lyp_6-31g+(d).log.xz

000778612.td-b3lyp_6-31+g(d).qchem.inp (generated)

000778612.td-b3lyp_6-31+g(d).gjf (generated)

000778612.td-b3lyp_6-31+g(d).firefly.inp (generated)

000778612.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000778612.mol 000778612.PUBCHEM 000778612.mol (via Jmol)
000778613.b3lyp_6-31g(d).inp

000778613.b3lyp_6-31g(d).qchem.inp (generated)

000778613.b3lyp_6-31g(d).gjf (generated)

000778613.b3lyp_6-31g(d).firefly.inp (generated)

000778613.b3lyp_6-31g(d).smash.inp (generated)

000778613.b3lyp_6-31g(d).nwchem.inp (generated) 000778613.b3lyp_6-31g(d).log.xz 000778613.td-b3lyp_6-31g+(d).inp 000778613.td-b3lyp_6-31g+(d).log.xz

000778613.td-b3lyp_6-31+g(d).qchem.inp (generated)

000778613.td-b3lyp_6-31+g(d).gjf (generated)

000778613.td-b3lyp_6-31+g(d).firefly.inp (generated)

000778613.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000778613.mol 000778613.PUBCHEM 000778613.mol (via Jmol)
000778615.b3lyp_6-31g(d).inp

000778615.b3lyp_6-31g(d).qchem.inp (generated)

000778615.b3lyp_6-31g(d).gjf (generated)

000778615.b3lyp_6-31g(d).firefly.inp (generated)

000778615.b3lyp_6-31g(d).smash.inp (generated)

000778615.b3lyp_6-31g(d).nwchem.inp (generated) 000778615.b3lyp_6-31g(d).log.xz 000778615.td-b3lyp_6-31g+(d).inp 000778615.td-b3lyp_6-31g+(d).log.xz

000778615.td-b3lyp_6-31+g(d).qchem.inp (generated)

000778615.td-b3lyp_6-31+g(d).gjf (generated)

000778615.td-b3lyp_6-31+g(d).firefly.inp (generated)

000778615.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000778615.mol 000778615.PUBCHEM 000778615.mol (via Jmol)
000778618.b3lyp_6-31g(d).inp

000778618.b3lyp_6-31g(d).qchem.inp (generated)

000778618.b3lyp_6-31g(d).gjf (generated)

000778618.b3lyp_6-31g(d).firefly.inp (generated)

000778618.b3lyp_6-31g(d).smash.inp (generated)

000778618.b3lyp_6-31g(d).nwchem.inp (generated) 000778618.b3lyp_6-31g(d).log.xz 000778618.td-b3lyp_6-31g+(d).inp 000778618.td-b3lyp_6-31g+(d).log.xz

000778618.td-b3lyp_6-31+g(d).qchem.inp (generated)

000778618.td-b3lyp_6-31+g(d).gjf (generated)

000778618.td-b3lyp_6-31+g(d).firefly.inp (generated)

000778618.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000778618.mol 000778618.PUBCHEM 000778618.mol (via Jmol)
000778619.b3lyp_6-31g(d).inp

000778619.b3lyp_6-31g(d).qchem.inp (generated)

000778619.b3lyp_6-31g(d).gjf (generated)

000778619.b3lyp_6-31g(d).firefly.inp (generated)

000778619.b3lyp_6-31g(d).smash.inp (generated)

000778619.b3lyp_6-31g(d).nwchem.inp (generated) 000778619.b3lyp_6-31g(d).log.xz 000778619.td-b3lyp_6-31g+(d).inp 000778619.td-b3lyp_6-31g+(d).log.xz

000778619.td-b3lyp_6-31+g(d).qchem.inp (generated)

000778619.td-b3lyp_6-31+g(d).gjf (generated)

000778619.td-b3lyp_6-31+g(d).firefly.inp (generated)

000778619.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000778619.mol 000778619.PUBCHEM 000778619.mol (via Jmol)
000778620.b3lyp_6-31g(d).inp

000778620.b3lyp_6-31g(d).qchem.inp (generated)

000778620.b3lyp_6-31g(d).gjf (generated)

000778620.b3lyp_6-31g(d).firefly.inp (generated)

000778620.b3lyp_6-31g(d).smash.inp (generated)

000778620.b3lyp_6-31g(d).nwchem.inp (generated) 000778620.b3lyp_6-31g(d).log.xz 000778620.mol 000778620.PUBCHEM 000778620.mol (via Jmol)
000778624.b3lyp_6-31g(d).inp

000778624.b3lyp_6-31g(d).qchem.inp (generated)

000778624.b3lyp_6-31g(d).gjf (generated)

000778624.b3lyp_6-31g(d).firefly.inp (generated)

000778624.b3lyp_6-31g(d).smash.inp (generated)

000778624.b3lyp_6-31g(d).nwchem.inp (generated) 000778624.b3lyp_6-31g(d).log.xz 000778624.td-b3lyp_6-31g+(d).inp 000778624.td-b3lyp_6-31g+(d).log.xz

000778624.td-b3lyp_6-31+g(d).qchem.inp (generated)

000778624.td-b3lyp_6-31+g(d).gjf (generated)

000778624.td-b3lyp_6-31+g(d).firefly.inp (generated)

000778624.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000778624.mol 000778624.PUBCHEM 000778624.mol (via Jmol)
000778626.b3lyp_6-31g(d).inp

000778626.b3lyp_6-31g(d).qchem.inp (generated)

000778626.b3lyp_6-31g(d).gjf (generated)

000778626.b3lyp_6-31g(d).firefly.inp (generated)

000778626.b3lyp_6-31g(d).smash.inp (generated)

000778626.b3lyp_6-31g(d).nwchem.inp (generated) 000778626.b3lyp_6-31g(d).log.xz 000778626.td-b3lyp_6-31g+(d).inp 000778626.td-b3lyp_6-31g+(d).log.xz

000778626.td-b3lyp_6-31+g(d).qchem.inp (generated)

000778626.td-b3lyp_6-31+g(d).gjf (generated)

000778626.td-b3lyp_6-31+g(d).firefly.inp (generated)

000778626.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000778626.mol 000778626.PUBCHEM 000778626.mol (via Jmol)
000778628.b3lyp_6-31g(d).inp

000778628.b3lyp_6-31g(d).qchem.inp (generated)

000778628.b3lyp_6-31g(d).gjf (generated)

000778628.b3lyp_6-31g(d).firefly.inp (generated)

000778628.b3lyp_6-31g(d).smash.inp (generated)

000778628.b3lyp_6-31g(d).nwchem.inp (generated) 000778628.b3lyp_6-31g(d).log.xz 000778628.mol 000778628.PUBCHEM 000778628.mol (via Jmol)
000778643.b3lyp_6-31g(d).inp

000778643.b3lyp_6-31g(d).qchem.inp (generated)

000778643.b3lyp_6-31g(d).gjf (generated)

000778643.b3lyp_6-31g(d).firefly.inp (generated)

000778643.b3lyp_6-31g(d).smash.inp (generated)

000778643.b3lyp_6-31g(d).nwchem.inp (generated) 000778643.b3lyp_6-31g(d).log.xz 000778643.td-b3lyp_6-31g+(d).inp 000778643.td-b3lyp_6-31g+(d).log.xz

000778643.td-b3lyp_6-31+g(d).qchem.inp (generated)

000778643.td-b3lyp_6-31+g(d).gjf (generated)

000778643.td-b3lyp_6-31+g(d).firefly.inp (generated)

000778643.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000778643.mol 000778643.PUBCHEM 000778643.mol (via Jmol)
000778646.b3lyp_6-31g(d).inp

000778646.b3lyp_6-31g(d).qchem.inp (generated)

000778646.b3lyp_6-31g(d).gjf (generated)

000778646.b3lyp_6-31g(d).firefly.inp (generated)

000778646.b3lyp_6-31g(d).smash.inp (generated)

000778646.b3lyp_6-31g(d).nwchem.inp (generated) 000778646.b3lyp_6-31g(d).log.xz 000778646.td-b3lyp_6-31g+(d).inp 000778646.td-b3lyp_6-31g+(d).log.xz

000778646.td-b3lyp_6-31+g(d).qchem.inp (generated)

000778646.td-b3lyp_6-31+g(d).gjf (generated)

000778646.td-b3lyp_6-31+g(d).firefly.inp (generated)

000778646.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000778646.mol 000778646.PUBCHEM 000778646.mol (via Jmol)
000778647.b3lyp_6-31g(d).inp

000778647.b3lyp_6-31g(d).qchem.inp (generated)

000778647.b3lyp_6-31g(d).gjf (generated)

000778647.b3lyp_6-31g(d).firefly.inp (generated)

000778647.b3lyp_6-31g(d).smash.inp (generated)

000778647.b3lyp_6-31g(d).nwchem.inp (generated) 000778647.b3lyp_6-31g(d).log.xz 000778647.td-b3lyp_6-31g+(d).inp 000778647.td-b3lyp_6-31g+(d).log.xz

000778647.td-b3lyp_6-31+g(d).qchem.inp (generated)

000778647.td-b3lyp_6-31+g(d).gjf (generated)

000778647.td-b3lyp_6-31+g(d).firefly.inp (generated)

000778647.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000778647.mol 000778647.PUBCHEM 000778647.mol (via Jmol)
000778649.b3lyp_6-31g(d).inp

000778649.b3lyp_6-31g(d).qchem.inp (generated)

000778649.b3lyp_6-31g(d).gjf (generated)

000778649.b3lyp_6-31g(d).firefly.inp (generated)

000778649.b3lyp_6-31g(d).smash.inp (generated)

000778649.b3lyp_6-31g(d).nwchem.inp (generated) 000778649.b3lyp_6-31g(d).log.xz 000778649.td-b3lyp_6-31g+(d).inp 000778649.td-b3lyp_6-31g+(d).log.xz

000778649.td-b3lyp_6-31+g(d).qchem.inp (generated)

000778649.td-b3lyp_6-31+g(d).gjf (generated)

000778649.td-b3lyp_6-31+g(d).firefly.inp (generated)

000778649.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000778649.mol 000778649.PUBCHEM 000778649.mol (via Jmol)
000778651.b3lyp_6-31g(d).inp

000778651.b3lyp_6-31g(d).qchem.inp (generated)

000778651.b3lyp_6-31g(d).gjf (generated)

000778651.b3lyp_6-31g(d).firefly.inp (generated)

000778651.b3lyp_6-31g(d).smash.inp (generated)

000778651.b3lyp_6-31g(d).nwchem.inp (generated) 000778651.b3lyp_6-31g(d).log.xz 000778651.td-b3lyp_6-31g+(d).inp 000778651.td-b3lyp_6-31g+(d).log.xz

000778651.td-b3lyp_6-31+g(d).qchem.inp (generated)

000778651.td-b3lyp_6-31+g(d).gjf (generated)

000778651.td-b3lyp_6-31+g(d).firefly.inp (generated)

000778651.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000778651.mol 000778651.PUBCHEM 000778651.mol (via Jmol)
000778652.b3lyp_6-31g(d).inp

000778652.b3lyp_6-31g(d).qchem.inp (generated)

000778652.b3lyp_6-31g(d).gjf (generated)

000778652.b3lyp_6-31g(d).firefly.inp (generated)

000778652.b3lyp_6-31g(d).smash.inp (generated)

000778652.b3lyp_6-31g(d).nwchem.inp (generated) 000778652.b3lyp_6-31g(d).log.xz 000778652.td-b3lyp_6-31g+(d).inp 000778652.td-b3lyp_6-31g+(d).log.xz

000778652.td-b3lyp_6-31+g(d).qchem.inp (generated)

000778652.td-b3lyp_6-31+g(d).gjf (generated)

000778652.td-b3lyp_6-31+g(d).firefly.inp (generated)

000778652.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000778652.mol 000778652.PUBCHEM 000778652.mol (via Jmol)
000778656.b3lyp_6-31g(d).inp

000778656.b3lyp_6-31g(d).qchem.inp (generated)

000778656.b3lyp_6-31g(d).gjf (generated)

000778656.b3lyp_6-31g(d).firefly.inp (generated)

000778656.b3lyp_6-31g(d).smash.inp (generated)

000778656.b3lyp_6-31g(d).nwchem.inp (generated) 000778656.b3lyp_6-31g(d).log.xz 000778656.td-b3lyp_6-31g+(d).inp 000778656.td-b3lyp_6-31g+(d).log.xz

000778656.td-b3lyp_6-31+g(d).qchem.inp (generated)

000778656.td-b3lyp_6-31+g(d).gjf (generated)

000778656.td-b3lyp_6-31+g(d).firefly.inp (generated)

000778656.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000778656.mol 000778656.PUBCHEM 000778656.mol (via Jmol)
000778657.b3lyp_6-31g(d).inp

000778657.b3lyp_6-31g(d).qchem.inp (generated)

000778657.b3lyp_6-31g(d).gjf (generated)

000778657.b3lyp_6-31g(d).firefly.inp (generated)

000778657.b3lyp_6-31g(d).smash.inp (generated)

000778657.b3lyp_6-31g(d).nwchem.inp (generated) 000778657.b3lyp_6-31g(d).log.xz 000778657.td-b3lyp_6-31g+(d).inp 000778657.td-b3lyp_6-31g+(d).log.xz

000778657.td-b3lyp_6-31+g(d).qchem.inp (generated)

000778657.td-b3lyp_6-31+g(d).gjf (generated)

000778657.td-b3lyp_6-31+g(d).firefly.inp (generated)

000778657.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000778657.mol 000778657.PUBCHEM 000778657.mol (via Jmol)
000778659.b3lyp_6-31g(d).inp

000778659.b3lyp_6-31g(d).qchem.inp (generated)

000778659.b3lyp_6-31g(d).gjf (generated)

000778659.b3lyp_6-31g(d).firefly.inp (generated)

000778659.b3lyp_6-31g(d).smash.inp (generated)

000778659.b3lyp_6-31g(d).nwchem.inp (generated) 000778659.b3lyp_6-31g(d).log.xz 000778659.td-b3lyp_6-31g+(d).inp 000778659.td-b3lyp_6-31g+(d).log.xz

000778659.td-b3lyp_6-31+g(d).qchem.inp (generated)

000778659.td-b3lyp_6-31+g(d).gjf (generated)

000778659.td-b3lyp_6-31+g(d).firefly.inp (generated)

000778659.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000778659.mol 000778659.PUBCHEM 000778659.mol (via Jmol)
000778666.b3lyp_6-31g(d).inp

000778666.b3lyp_6-31g(d).qchem.inp (generated)

000778666.b3lyp_6-31g(d).gjf (generated)

000778666.b3lyp_6-31g(d).firefly.inp (generated)

000778666.b3lyp_6-31g(d).smash.inp (generated)

000778666.b3lyp_6-31g(d).nwchem.inp (generated) 000778666.b3lyp_6-31g(d).log.xz 000778666.td-b3lyp_6-31g+(d).inp 000778666.td-b3lyp_6-31g+(d).log.xz

000778666.td-b3lyp_6-31+g(d).qchem.inp (generated)

000778666.td-b3lyp_6-31+g(d).gjf (generated)

000778666.td-b3lyp_6-31+g(d).firefly.inp (generated)

000778666.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000778666.mol 000778666.PUBCHEM 000778666.mol (via Jmol)
000778667.b3lyp_6-31g(d).inp

000778667.b3lyp_6-31g(d).qchem.inp (generated)

000778667.b3lyp_6-31g(d).gjf (generated)

000778667.b3lyp_6-31g(d).firefly.inp (generated)

000778667.b3lyp_6-31g(d).smash.inp (generated)

000778667.b3lyp_6-31g(d).nwchem.inp (generated) 000778667.b3lyp_6-31g(d).log.xz 000778667.td-b3lyp_6-31g+(d).inp 000778667.td-b3lyp_6-31g+(d).log.xz

000778667.td-b3lyp_6-31+g(d).qchem.inp (generated)

000778667.td-b3lyp_6-31+g(d).gjf (generated)

000778667.td-b3lyp_6-31+g(d).firefly.inp (generated)

000778667.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000778667.mol 000778667.PUBCHEM 000778667.mol (via Jmol)
000778668.b3lyp_6-31g(d).inp

000778668.b3lyp_6-31g(d).qchem.inp (generated)

000778668.b3lyp_6-31g(d).gjf (generated)

000778668.b3lyp_6-31g(d).firefly.inp (generated)

000778668.b3lyp_6-31g(d).smash.inp (generated)

000778668.b3lyp_6-31g(d).nwchem.inp (generated) 000778668.b3lyp_6-31g(d).log.xz 000778668.td-b3lyp_6-31g+(d).inp 000778668.td-b3lyp_6-31g+(d).log.xz

000778668.td-b3lyp_6-31+g(d).qchem.inp (generated)

000778668.td-b3lyp_6-31+g(d).gjf (generated)

000778668.td-b3lyp_6-31+g(d).firefly.inp (generated)

000778668.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000778668.mol 000778668.PUBCHEM 000778668.mol (via Jmol)
000778670.b3lyp_6-31g(d).inp

000778670.b3lyp_6-31g(d).qchem.inp (generated)

000778670.b3lyp_6-31g(d).gjf (generated)

000778670.b3lyp_6-31g(d).firefly.inp (generated)

000778670.b3lyp_6-31g(d).smash.inp (generated)

000778670.b3lyp_6-31g(d).nwchem.inp (generated) 000778670.b3lyp_6-31g(d).log.xz 000778670.td-b3lyp_6-31g+(d).inp 000778670.td-b3lyp_6-31g+(d).log.xz

000778670.td-b3lyp_6-31+g(d).qchem.inp (generated)

000778670.td-b3lyp_6-31+g(d).gjf (generated)

000778670.td-b3lyp_6-31+g(d).firefly.inp (generated)

000778670.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000778670.mol 000778670.PUBCHEM 000778670.mol (via Jmol)
000778672.b3lyp_6-31g(d).inp

000778672.b3lyp_6-31g(d).qchem.inp (generated)

000778672.b3lyp_6-31g(d).gjf (generated)

000778672.b3lyp_6-31g(d).firefly.inp (generated)

000778672.b3lyp_6-31g(d).smash.inp (generated)

000778672.b3lyp_6-31g(d).nwchem.inp (generated) 000778672.b3lyp_6-31g(d).log.xz 000778672.td-b3lyp_6-31g+(d).inp 000778672.td-b3lyp_6-31g+(d).log.xz

000778672.td-b3lyp_6-31+g(d).qchem.inp (generated)

000778672.td-b3lyp_6-31+g(d).gjf (generated)

000778672.td-b3lyp_6-31+g(d).firefly.inp (generated)

000778672.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000778672.mol 000778672.PUBCHEM 000778672.mol (via Jmol)
000778673.b3lyp_6-31g(d).inp

000778673.b3lyp_6-31g(d).qchem.inp (generated)

000778673.b3lyp_6-31g(d).gjf (generated)

000778673.b3lyp_6-31g(d).firefly.inp (generated)

000778673.b3lyp_6-31g(d).smash.inp (generated)

000778673.b3lyp_6-31g(d).nwchem.inp (generated) 000778673.b3lyp_6-31g(d).log.xz 000778673.td-b3lyp_6-31g+(d).inp 000778673.td-b3lyp_6-31g+(d).log.xz

000778673.td-b3lyp_6-31+g(d).qchem.inp (generated)

000778673.td-b3lyp_6-31+g(d).gjf (generated)

000778673.td-b3lyp_6-31+g(d).firefly.inp (generated)

000778673.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000778673.mol 000778673.PUBCHEM 000778673.mol (via Jmol)
000778682.b3lyp_6-31g(d).inp

000778682.b3lyp_6-31g(d).qchem.inp (generated)

000778682.b3lyp_6-31g(d).gjf (generated)

000778682.b3lyp_6-31g(d).firefly.inp (generated)

000778682.b3lyp_6-31g(d).smash.inp (generated)

000778682.b3lyp_6-31g(d).nwchem.inp (generated) 000778682.b3lyp_6-31g(d).log.xz 000778682.td-b3lyp_6-31g+(d).inp 000778682.td-b3lyp_6-31g+(d).log.xz

000778682.td-b3lyp_6-31+g(d).qchem.inp (generated)

000778682.td-b3lyp_6-31+g(d).gjf (generated)

000778682.td-b3lyp_6-31+g(d).firefly.inp (generated)

000778682.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000778682.mol 000778682.PUBCHEM 000778682.mol (via Jmol)
000778691.b3lyp_6-31g(d).inp

000778691.b3lyp_6-31g(d).qchem.inp (generated)

000778691.b3lyp_6-31g(d).gjf (generated)

000778691.b3lyp_6-31g(d).firefly.inp (generated)

000778691.b3lyp_6-31g(d).smash.inp (generated)

000778691.b3lyp_6-31g(d).nwchem.inp (generated) 000778691.b3lyp_6-31g(d).log.xz 000778691.td-b3lyp_6-31g+(d).inp 000778691.td-b3lyp_6-31g+(d).log.xz

000778691.td-b3lyp_6-31+g(d).qchem.inp (generated)

000778691.td-b3lyp_6-31+g(d).gjf (generated)

000778691.td-b3lyp_6-31+g(d).firefly.inp (generated)

000778691.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000778691.mol 000778691.PUBCHEM 000778691.mol (via Jmol)
000778693.b3lyp_6-31g(d).inp

000778693.b3lyp_6-31g(d).qchem.inp (generated)

000778693.b3lyp_6-31g(d).gjf (generated)

000778693.b3lyp_6-31g(d).firefly.inp (generated)

000778693.b3lyp_6-31g(d).smash.inp (generated)

000778693.b3lyp_6-31g(d).nwchem.inp (generated) 000778693.b3lyp_6-31g(d).log.xz 000778693.mol 000778693.PUBCHEM 000778693.mol (via Jmol)
000778697.b3lyp_6-31g(d).inp

000778697.b3lyp_6-31g(d).qchem.inp (generated)

000778697.b3lyp_6-31g(d).gjf (generated)

000778697.b3lyp_6-31g(d).firefly.inp (generated)

000778697.b3lyp_6-31g(d).smash.inp (generated)

000778697.b3lyp_6-31g(d).nwchem.inp (generated) 000778697.b3lyp_6-31g(d).log.xz 000778697.td-b3lyp_6-31g+(d).inp 000778697.td-b3lyp_6-31g+(d).log.xz

000778697.td-b3lyp_6-31+g(d).qchem.inp (generated)

000778697.td-b3lyp_6-31+g(d).gjf (generated)

000778697.td-b3lyp_6-31+g(d).firefly.inp (generated)

000778697.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000778697.mol 000778697.PUBCHEM 000778697.mol (via Jmol)
000778700.b3lyp_6-31g(d).inp

000778700.b3lyp_6-31g(d).qchem.inp (generated)

000778700.b3lyp_6-31g(d).gjf (generated)

000778700.b3lyp_6-31g(d).firefly.inp (generated)

000778700.b3lyp_6-31g(d).smash.inp (generated)

000778700.b3lyp_6-31g(d).nwchem.inp (generated) 000778700.b3lyp_6-31g(d).log.xz 000778700.td-b3lyp_6-31g+(d).inp 000778700.td-b3lyp_6-31g+(d).log.xz

000778700.td-b3lyp_6-31+g(d).qchem.inp (generated)

000778700.td-b3lyp_6-31+g(d).gjf (generated)

000778700.td-b3lyp_6-31+g(d).firefly.inp (generated)

000778700.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000778700.mol 000778700.PUBCHEM 000778700.mol (via Jmol)
000778701.b3lyp_6-31g(d).inp

000778701.b3lyp_6-31g(d).qchem.inp (generated)

000778701.b3lyp_6-31g(d).gjf (generated)

000778701.b3lyp_6-31g(d).firefly.inp (generated)

000778701.b3lyp_6-31g(d).smash.inp (generated)

000778701.b3lyp_6-31g(d).nwchem.inp (generated) 000778701.b3lyp_6-31g(d).log.xz 000778701.mol 000778701.PUBCHEM 000778701.mol (via Jmol)
000778709.b3lyp_6-31g(d).inp

000778709.b3lyp_6-31g(d).qchem.inp (generated)

000778709.b3lyp_6-31g(d).gjf (generated)

000778709.b3lyp_6-31g(d).firefly.inp (generated)

000778709.b3lyp_6-31g(d).smash.inp (generated)

000778709.b3lyp_6-31g(d).nwchem.inp (generated) 000778709.b3lyp_6-31g(d).log.xz 000778709.td-b3lyp_6-31g+(d).inp 000778709.td-b3lyp_6-31g+(d).log.xz

000778709.td-b3lyp_6-31+g(d).qchem.inp (generated)

000778709.td-b3lyp_6-31+g(d).gjf (generated)

000778709.td-b3lyp_6-31+g(d).firefly.inp (generated)

000778709.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000778709.mol 000778709.PUBCHEM 000778709.mol (via Jmol)
000778711.b3lyp_6-31g(d).inp

000778711.b3lyp_6-31g(d).qchem.inp (generated)

000778711.b3lyp_6-31g(d).gjf (generated)

000778711.b3lyp_6-31g(d).firefly.inp (generated)

000778711.b3lyp_6-31g(d).smash.inp (generated)

000778711.b3lyp_6-31g(d).nwchem.inp (generated) 000778711.b3lyp_6-31g(d).log.xz 000778711.td-b3lyp_6-31g+(d).inp 000778711.td-b3lyp_6-31g+(d).log.xz

000778711.td-b3lyp_6-31+g(d).qchem.inp (generated)

000778711.td-b3lyp_6-31+g(d).gjf (generated)

000778711.td-b3lyp_6-31+g(d).firefly.inp (generated)

000778711.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000778711.mol 000778711.PUBCHEM 000778711.mol (via Jmol)
000778712.b3lyp_6-31g(d).inp

000778712.b3lyp_6-31g(d).qchem.inp (generated)

000778712.b3lyp_6-31g(d).gjf (generated)

000778712.b3lyp_6-31g(d).firefly.inp (generated)

000778712.b3lyp_6-31g(d).smash.inp (generated)

000778712.b3lyp_6-31g(d).nwchem.inp (generated) 000778712.b3lyp_6-31g(d).log.xz 000778712.td-b3lyp_6-31g+(d).inp 000778712.td-b3lyp_6-31g+(d).log.xz

000778712.td-b3lyp_6-31+g(d).qchem.inp (generated)

000778712.td-b3lyp_6-31+g(d).gjf (generated)

000778712.td-b3lyp_6-31+g(d).firefly.inp (generated)

000778712.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000778712.mol 000778712.PUBCHEM 000778712.mol (via Jmol)
000778715.b3lyp_6-31g(d).inp

000778715.b3lyp_6-31g(d).qchem.inp (generated)

000778715.b3lyp_6-31g(d).gjf (generated)

000778715.b3lyp_6-31g(d).firefly.inp (generated)

000778715.b3lyp_6-31g(d).smash.inp (generated)

000778715.b3lyp_6-31g(d).nwchem.inp (generated) 000778715.b3lyp_6-31g(d).log.xz 000778715.td-b3lyp_6-31g+(d).inp 000778715.td-b3lyp_6-31g+(d).log.xz

000778715.td-b3lyp_6-31+g(d).qchem.inp (generated)

000778715.td-b3lyp_6-31+g(d).gjf (generated)

000778715.td-b3lyp_6-31+g(d).firefly.inp (generated)

000778715.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000778715.mol 000778715.PUBCHEM 000778715.mol (via Jmol)
000778730.b3lyp_6-31g(d).inp

000778730.b3lyp_6-31g(d).qchem.inp (generated)

000778730.b3lyp_6-31g(d).gjf (generated)

000778730.b3lyp_6-31g(d).firefly.inp (generated)

000778730.b3lyp_6-31g(d).smash.inp (generated)

000778730.b3lyp_6-31g(d).nwchem.inp (generated) 000778730.b3lyp_6-31g(d).log.xz 000778730.td-b3lyp_6-31g+(d).inp 000778730.td-b3lyp_6-31g+(d).log.xz

000778730.td-b3lyp_6-31+g(d).qchem.inp (generated)

000778730.td-b3lyp_6-31+g(d).gjf (generated)

000778730.td-b3lyp_6-31+g(d).firefly.inp (generated)

000778730.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000778730.mol 000778730.PUBCHEM 000778730.mol (via Jmol)
000778733.b3lyp_6-31g(d).inp

000778733.b3lyp_6-31g(d).qchem.inp (generated)

000778733.b3lyp_6-31g(d).gjf (generated)

000778733.b3lyp_6-31g(d).firefly.inp (generated)

000778733.b3lyp_6-31g(d).smash.inp (generated)

000778733.b3lyp_6-31g(d).nwchem.inp (generated) 000778733.b3lyp_6-31g(d).log.xz 000778733.td-b3lyp_6-31g+(d).inp 000778733.td-b3lyp_6-31g+(d).log.xz

000778733.td-b3lyp_6-31+g(d).qchem.inp (generated)

000778733.td-b3lyp_6-31+g(d).gjf (generated)

000778733.td-b3lyp_6-31+g(d).firefly.inp (generated)

000778733.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000778733.mol 000778733.PUBCHEM 000778733.mol (via Jmol)
000778742.b3lyp_6-31g(d).inp

000778742.b3lyp_6-31g(d).qchem.inp (generated)

000778742.b3lyp_6-31g(d).gjf (generated)

000778742.b3lyp_6-31g(d).firefly.inp (generated)

000778742.b3lyp_6-31g(d).smash.inp (generated)

000778742.b3lyp_6-31g(d).nwchem.inp (generated) 000778742.b3lyp_6-31g(d).log.xz 000778742.td-b3lyp_6-31g+(d).inp 000778742.td-b3lyp_6-31g+(d).log.xz

000778742.td-b3lyp_6-31+g(d).qchem.inp (generated)

000778742.td-b3lyp_6-31+g(d).gjf (generated)

000778742.td-b3lyp_6-31+g(d).firefly.inp (generated)

000778742.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000778742.mol 000778742.PUBCHEM 000778742.mol (via Jmol)
000778748.b3lyp_6-31g(d).inp

000778748.b3lyp_6-31g(d).qchem.inp (generated)

000778748.b3lyp_6-31g(d).gjf (generated)

000778748.b3lyp_6-31g(d).firefly.inp (generated)

000778748.b3lyp_6-31g(d).smash.inp (generated)

000778748.b3lyp_6-31g(d).nwchem.inp (generated) 000778748.b3lyp_6-31g(d).log.xz 000778748.td-b3lyp_6-31g+(d).inp 000778748.td-b3lyp_6-31g+(d).log.xz

000778748.td-b3lyp_6-31+g(d).qchem.inp (generated)

000778748.td-b3lyp_6-31+g(d).gjf (generated)

000778748.td-b3lyp_6-31+g(d).firefly.inp (generated)

000778748.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000778748.mol 000778748.PUBCHEM 000778748.mol (via Jmol)
000778750.b3lyp_6-31g(d).inp

000778750.b3lyp_6-31g(d).qchem.inp (generated)

000778750.b3lyp_6-31g(d).gjf (generated)

000778750.b3lyp_6-31g(d).firefly.inp (generated)

000778750.b3lyp_6-31g(d).smash.inp (generated)

000778750.b3lyp_6-31g(d).nwchem.inp (generated) 000778750.b3lyp_6-31g(d).log.xz 000778750.td-b3lyp_6-31g+(d).inp 000778750.td-b3lyp_6-31g+(d).log.xz

000778750.td-b3lyp_6-31+g(d).qchem.inp (generated)

000778750.td-b3lyp_6-31+g(d).gjf (generated)

000778750.td-b3lyp_6-31+g(d).firefly.inp (generated)

000778750.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000778750.mol 000778750.PUBCHEM 000778750.mol (via Jmol)
000778751.b3lyp_6-31g(d).inp

000778751.b3lyp_6-31g(d).qchem.inp (generated)

000778751.b3lyp_6-31g(d).gjf (generated)

000778751.b3lyp_6-31g(d).firefly.inp (generated)

000778751.b3lyp_6-31g(d).smash.inp (generated)

000778751.b3lyp_6-31g(d).nwchem.inp (generated) 000778751.b3lyp_6-31g(d).log.xz 000778751.td-b3lyp_6-31g+(d).inp 000778751.td-b3lyp_6-31g+(d).log.xz

000778751.td-b3lyp_6-31+g(d).qchem.inp (generated)

000778751.td-b3lyp_6-31+g(d).gjf (generated)

000778751.td-b3lyp_6-31+g(d).firefly.inp (generated)

000778751.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000778751.mol 000778751.PUBCHEM 000778751.mol (via Jmol)
000778753.b3lyp_6-31g(d).inp

000778753.b3lyp_6-31g(d).qchem.inp (generated)

000778753.b3lyp_6-31g(d).gjf (generated)

000778753.b3lyp_6-31g(d).firefly.inp (generated)

000778753.b3lyp_6-31g(d).smash.inp (generated)

000778753.b3lyp_6-31g(d).nwchem.inp (generated) 000778753.b3lyp_6-31g(d).log.xz 000778753.td-b3lyp_6-31g+(d).inp 000778753.td-b3lyp_6-31g+(d).log.xz

000778753.td-b3lyp_6-31+g(d).qchem.inp (generated)

000778753.td-b3lyp_6-31+g(d).gjf (generated)

000778753.td-b3lyp_6-31+g(d).firefly.inp (generated)

000778753.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000778753.mol 000778753.PUBCHEM 000778753.mol (via Jmol)
000778754.b3lyp_6-31g(d).inp

000778754.b3lyp_6-31g(d).qchem.inp (generated)

000778754.b3lyp_6-31g(d).gjf (generated)

000778754.b3lyp_6-31g(d).firefly.inp (generated)

000778754.b3lyp_6-31g(d).smash.inp (generated)

000778754.b3lyp_6-31g(d).nwchem.inp (generated) 000778754.b3lyp_6-31g(d).log.xz 000778754.td-b3lyp_6-31g+(d).inp 000778754.td-b3lyp_6-31g+(d).log.xz

000778754.td-b3lyp_6-31+g(d).qchem.inp (generated)

000778754.td-b3lyp_6-31+g(d).gjf (generated)

000778754.td-b3lyp_6-31+g(d).firefly.inp (generated)

000778754.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000778754.mol 000778754.PUBCHEM 000778754.mol (via Jmol)
000778755.b3lyp_6-31g(d).inp

000778755.b3lyp_6-31g(d).qchem.inp (generated)

000778755.b3lyp_6-31g(d).gjf (generated)

000778755.b3lyp_6-31g(d).firefly.inp (generated)

000778755.b3lyp_6-31g(d).smash.inp (generated)

000778755.b3lyp_6-31g(d).nwchem.inp (generated) 000778755.b3lyp_6-31g(d).log.xz 000778755.td-b3lyp_6-31g+(d).inp 000778755.td-b3lyp_6-31g+(d).log.xz

000778755.td-b3lyp_6-31+g(d).qchem.inp (generated)

000778755.td-b3lyp_6-31+g(d).gjf (generated)

000778755.td-b3lyp_6-31+g(d).firefly.inp (generated)

000778755.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000778755.mol 000778755.PUBCHEM 000778755.mol (via Jmol)
000778756.b3lyp_6-31g(d).inp

000778756.b3lyp_6-31g(d).qchem.inp (generated)

000778756.b3lyp_6-31g(d).gjf (generated)

000778756.b3lyp_6-31g(d).firefly.inp (generated)

000778756.b3lyp_6-31g(d).smash.inp (generated)

000778756.b3lyp_6-31g(d).nwchem.inp (generated) 000778756.b3lyp_6-31g(d).log.xz 000778756.td-b3lyp_6-31g+(d).inp 000778756.td-b3lyp_6-31g+(d).log.xz

000778756.td-b3lyp_6-31+g(d).qchem.inp (generated)

000778756.td-b3lyp_6-31+g(d).gjf (generated)

000778756.td-b3lyp_6-31+g(d).firefly.inp (generated)

000778756.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000778756.mol 000778756.PUBCHEM 000778756.mol (via Jmol)
000778771.b3lyp_6-31g(d).inp

000778771.b3lyp_6-31g(d).qchem.inp (generated)

000778771.b3lyp_6-31g(d).gjf (generated)

000778771.b3lyp_6-31g(d).firefly.inp (generated)

000778771.b3lyp_6-31g(d).smash.inp (generated)

000778771.b3lyp_6-31g(d).nwchem.inp (generated) 000778771.b3lyp_6-31g(d).log.xz 000778771.td-b3lyp_6-31g+(d).inp 000778771.td-b3lyp_6-31g+(d).log.xz

000778771.td-b3lyp_6-31+g(d).qchem.inp (generated)

000778771.td-b3lyp_6-31+g(d).gjf (generated)

000778771.td-b3lyp_6-31+g(d).firefly.inp (generated)

000778771.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000778771.mol 000778771.PUBCHEM 000778771.mol (via Jmol)
000778775.b3lyp_6-31g(d).inp

000778775.b3lyp_6-31g(d).qchem.inp (generated)

000778775.b3lyp_6-31g(d).gjf (generated)

000778775.b3lyp_6-31g(d).firefly.inp (generated)

000778775.b3lyp_6-31g(d).smash.inp (generated)

000778775.b3lyp_6-31g(d).nwchem.inp (generated) 000778775.b3lyp_6-31g(d).log.xz 000778775.mol 000778775.PUBCHEM 000778775.mol (via Jmol)
000778795.b3lyp_6-31g(d).inp

000778795.b3lyp_6-31g(d).qchem.inp (generated)

000778795.b3lyp_6-31g(d).gjf (generated)

000778795.b3lyp_6-31g(d).firefly.inp (generated)

000778795.b3lyp_6-31g(d).smash.inp (generated)

000778795.b3lyp_6-31g(d).nwchem.inp (generated) 000778795.b3lyp_6-31g(d).log.xz 000778795.mol 000778795.PUBCHEM 000778795.mol (via Jmol)
000778798.b3lyp_6-31g(d).inp

000778798.b3lyp_6-31g(d).qchem.inp (generated)

000778798.b3lyp_6-31g(d).gjf (generated)

000778798.b3lyp_6-31g(d).firefly.inp (generated)

000778798.b3lyp_6-31g(d).smash.inp (generated)

000778798.b3lyp_6-31g(d).nwchem.inp (generated) 000778798.b3lyp_6-31g(d).log.xz 000778798.td-b3lyp_6-31g+(d).inp 000778798.td-b3lyp_6-31g+(d).log.xz

000778798.td-b3lyp_6-31+g(d).qchem.inp (generated)

000778798.td-b3lyp_6-31+g(d).gjf (generated)

000778798.td-b3lyp_6-31+g(d).firefly.inp (generated)

000778798.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000778798.mol 000778798.PUBCHEM 000778798.mol (via Jmol)
000778804.b3lyp_6-31g(d).inp

000778804.b3lyp_6-31g(d).qchem.inp (generated)

000778804.b3lyp_6-31g(d).gjf (generated)

000778804.b3lyp_6-31g(d).firefly.inp (generated)

000778804.b3lyp_6-31g(d).smash.inp (generated)

000778804.b3lyp_6-31g(d).nwchem.inp (generated) 000778804.b3lyp_6-31g(d).log.xz 000778804.td-b3lyp_6-31g+(d).inp 000778804.td-b3lyp_6-31g+(d).log.xz

000778804.td-b3lyp_6-31+g(d).qchem.inp (generated)

000778804.td-b3lyp_6-31+g(d).gjf (generated)

000778804.td-b3lyp_6-31+g(d).firefly.inp (generated)

000778804.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000778804.mol 000778804.PUBCHEM 000778804.mol (via Jmol)
000778810.b3lyp_6-31g(d).inp

000778810.b3lyp_6-31g(d).qchem.inp (generated)

000778810.b3lyp_6-31g(d).gjf (generated)

000778810.b3lyp_6-31g(d).firefly.inp (generated)

000778810.b3lyp_6-31g(d).smash.inp (generated)

000778810.b3lyp_6-31g(d).nwchem.inp (generated) 000778810.b3lyp_6-31g(d).log.xz 000778810.td-b3lyp_6-31g+(d).inp 000778810.td-b3lyp_6-31g+(d).log.xz

000778810.td-b3lyp_6-31+g(d).qchem.inp (generated)

000778810.td-b3lyp_6-31+g(d).gjf (generated)

000778810.td-b3lyp_6-31+g(d).firefly.inp (generated)

000778810.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000778810.mol 000778810.PUBCHEM 000778810.mol (via Jmol)
000778813.b3lyp_6-31g(d).inp

000778813.b3lyp_6-31g(d).qchem.inp (generated)

000778813.b3lyp_6-31g(d).gjf (generated)

000778813.b3lyp_6-31g(d).firefly.inp (generated)

000778813.b3lyp_6-31g(d).smash.inp (generated)

000778813.b3lyp_6-31g(d).nwchem.inp (generated) 000778813.b3lyp_6-31g(d).log.xz 000778813.td-b3lyp_6-31g+(d).inp 000778813.td-b3lyp_6-31g+(d).log.xz

000778813.td-b3lyp_6-31+g(d).qchem.inp (generated)

000778813.td-b3lyp_6-31+g(d).gjf (generated)

000778813.td-b3lyp_6-31+g(d).firefly.inp (generated)

000778813.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000778813.mol 000778813.PUBCHEM 000778813.mol (via Jmol)
000778824.b3lyp_6-31g(d).inp

000778824.b3lyp_6-31g(d).qchem.inp (generated)

000778824.b3lyp_6-31g(d).gjf (generated)

000778824.b3lyp_6-31g(d).firefly.inp (generated)

000778824.b3lyp_6-31g(d).smash.inp (generated)

000778824.b3lyp_6-31g(d).nwchem.inp (generated) 000778824.b3lyp_6-31g(d).log.xz 000778824.td-b3lyp_6-31g+(d).inp 000778824.td-b3lyp_6-31g+(d).log.xz

000778824.td-b3lyp_6-31+g(d).qchem.inp (generated)

000778824.td-b3lyp_6-31+g(d).gjf (generated)

000778824.td-b3lyp_6-31+g(d).firefly.inp (generated)

000778824.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000778824.mol 000778824.PUBCHEM 000778824.mol (via Jmol)
000778831.b3lyp_6-31g(d).inp

000778831.b3lyp_6-31g(d).qchem.inp (generated)

000778831.b3lyp_6-31g(d).gjf (generated)

000778831.b3lyp_6-31g(d).firefly.inp (generated)

000778831.b3lyp_6-31g(d).smash.inp (generated)

000778831.b3lyp_6-31g(d).nwchem.inp (generated) 000778831.b3lyp_6-31g(d).log.xz 000778831.td-b3lyp_6-31g+(d).inp 000778831.td-b3lyp_6-31g+(d).log.xz

000778831.td-b3lyp_6-31+g(d).qchem.inp (generated)

000778831.td-b3lyp_6-31+g(d).gjf (generated)

000778831.td-b3lyp_6-31+g(d).firefly.inp (generated)

000778831.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000778831.mol 000778831.PUBCHEM 000778831.mol (via Jmol)
000778840.b3lyp_6-31g(d).inp

000778840.b3lyp_6-31g(d).qchem.inp (generated)

000778840.b3lyp_6-31g(d).gjf (generated)

000778840.b3lyp_6-31g(d).firefly.inp (generated)

000778840.b3lyp_6-31g(d).smash.inp (generated)

000778840.b3lyp_6-31g(d).nwchem.inp (generated) 000778840.b3lyp_6-31g(d).log.xz 000778840.td-b3lyp_6-31g+(d).inp 000778840.td-b3lyp_6-31g+(d).log.xz

000778840.td-b3lyp_6-31+g(d).qchem.inp (generated)

000778840.td-b3lyp_6-31+g(d).gjf (generated)

000778840.td-b3lyp_6-31+g(d).firefly.inp (generated)

000778840.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000778840.mol 000778840.PUBCHEM 000778840.mol (via Jmol)
000778842.b3lyp_6-31g(d).inp

000778842.b3lyp_6-31g(d).qchem.inp (generated)

000778842.b3lyp_6-31g(d).gjf (generated)

000778842.b3lyp_6-31g(d).firefly.inp (generated)

000778842.b3lyp_6-31g(d).smash.inp (generated)

000778842.b3lyp_6-31g(d).nwchem.inp (generated) 000778842.b3lyp_6-31g(d).log.xz 000778842.td-b3lyp_6-31g+(d).inp 000778842.td-b3lyp_6-31g+(d).log.xz

000778842.td-b3lyp_6-31+g(d).qchem.inp (generated)

000778842.td-b3lyp_6-31+g(d).gjf (generated)

000778842.td-b3lyp_6-31+g(d).firefly.inp (generated)

000778842.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000778842.mol 000778842.PUBCHEM 000778842.mol (via Jmol)
000778844.b3lyp_6-31g(d).inp

000778844.b3lyp_6-31g(d).qchem.inp (generated)

000778844.b3lyp_6-31g(d).gjf (generated)

000778844.b3lyp_6-31g(d).firefly.inp (generated)

000778844.b3lyp_6-31g(d).smash.inp (generated)

000778844.b3lyp_6-31g(d).nwchem.inp (generated) 000778844.b3lyp_6-31g(d).log.xz 000778844.td-b3lyp_6-31g+(d).inp 000778844.td-b3lyp_6-31g+(d).log.xz

000778844.td-b3lyp_6-31+g(d).qchem.inp (generated)

000778844.td-b3lyp_6-31+g(d).gjf (generated)

000778844.td-b3lyp_6-31+g(d).firefly.inp (generated)

000778844.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000778844.mol 000778844.PUBCHEM 000778844.mol (via Jmol)
000778847.b3lyp_6-31g(d).inp

000778847.b3lyp_6-31g(d).qchem.inp (generated)

000778847.b3lyp_6-31g(d).gjf (generated)

000778847.b3lyp_6-31g(d).firefly.inp (generated)

000778847.b3lyp_6-31g(d).smash.inp (generated)

000778847.b3lyp_6-31g(d).nwchem.inp (generated) 000778847.b3lyp_6-31g(d).log.xz 000778847.td-b3lyp_6-31g+(d).inp 000778847.td-b3lyp_6-31g+(d).log.xz

000778847.td-b3lyp_6-31+g(d).qchem.inp (generated)

000778847.td-b3lyp_6-31+g(d).gjf (generated)

000778847.td-b3lyp_6-31+g(d).firefly.inp (generated)

000778847.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000778847.mol 000778847.PUBCHEM 000778847.mol (via Jmol)
000778848.b3lyp_6-31g(d).inp

000778848.b3lyp_6-31g(d).qchem.inp (generated)

000778848.b3lyp_6-31g(d).gjf (generated)

000778848.b3lyp_6-31g(d).firefly.inp (generated)

000778848.b3lyp_6-31g(d).smash.inp (generated)

000778848.b3lyp_6-31g(d).nwchem.inp (generated) 000778848.b3lyp_6-31g(d).log.xz 000778848.td-b3lyp_6-31g+(d).inp 000778848.td-b3lyp_6-31g+(d).log.xz

000778848.td-b3lyp_6-31+g(d).qchem.inp (generated)

000778848.td-b3lyp_6-31+g(d).gjf (generated)

000778848.td-b3lyp_6-31+g(d).firefly.inp (generated)

000778848.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000778848.mol 000778848.PUBCHEM 000778848.mol (via Jmol)
000778861.b3lyp_6-31g(d).inp

000778861.b3lyp_6-31g(d).qchem.inp (generated)

000778861.b3lyp_6-31g(d).gjf (generated)

000778861.b3lyp_6-31g(d).firefly.inp (generated)

000778861.b3lyp_6-31g(d).smash.inp (generated)

000778861.b3lyp_6-31g(d).nwchem.inp (generated) 000778861.b3lyp_6-31g(d).log.xz 000778861.td-b3lyp_6-31g+(d).inp 000778861.td-b3lyp_6-31g+(d).log.xz

000778861.td-b3lyp_6-31+g(d).qchem.inp (generated)

000778861.td-b3lyp_6-31+g(d).gjf (generated)

000778861.td-b3lyp_6-31+g(d).firefly.inp (generated)

000778861.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000778861.mol 000778861.PUBCHEM 000778861.mol (via Jmol)
000778875.b3lyp_6-31g(d).inp

000778875.b3lyp_6-31g(d).qchem.inp (generated)

000778875.b3lyp_6-31g(d).gjf (generated)

000778875.b3lyp_6-31g(d).firefly.inp (generated)

000778875.b3lyp_6-31g(d).smash.inp (generated)

000778875.b3lyp_6-31g(d).nwchem.inp (generated) 000778875.b3lyp_6-31g(d).log.xz 000778875.td-b3lyp_6-31g+(d).inp 000778875.td-b3lyp_6-31g+(d).log.xz

000778875.td-b3lyp_6-31+g(d).qchem.inp (generated)

000778875.td-b3lyp_6-31+g(d).gjf (generated)

000778875.td-b3lyp_6-31+g(d).firefly.inp (generated)

000778875.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000778875.mol 000778875.PUBCHEM 000778875.mol (via Jmol)
000778886.b3lyp_6-31g(d).inp

000778886.b3lyp_6-31g(d).qchem.inp (generated)

000778886.b3lyp_6-31g(d).gjf (generated)

000778886.b3lyp_6-31g(d).firefly.inp (generated)

000778886.b3lyp_6-31g(d).smash.inp (generated)

000778886.b3lyp_6-31g(d).nwchem.inp (generated) 000778886.b3lyp_6-31g(d).log.xz 000778886.td-b3lyp_6-31g+(d).inp 000778886.td-b3lyp_6-31g+(d).log.xz

000778886.td-b3lyp_6-31+g(d).qchem.inp (generated)

000778886.td-b3lyp_6-31+g(d).gjf (generated)

000778886.td-b3lyp_6-31+g(d).firefly.inp (generated)

000778886.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000778886.mol 000778886.PUBCHEM 000778886.mol (via Jmol)
000778923.b3lyp_6-31g(d).inp

000778923.b3lyp_6-31g(d).qchem.inp (generated)

000778923.b3lyp_6-31g(d).gjf (generated)

000778923.b3lyp_6-31g(d).firefly.inp (generated)

000778923.b3lyp_6-31g(d).smash.inp (generated)