Index of

Last updated : Thu Apr 20 01:52:35 JST 2017
Total : 2710 (2252) in this page
000800022.b3lyp_6-31g(d).inp

000800022.b3lyp_6-31g(d).qchem.inp (generated)

000800022.b3lyp_6-31g(d).gjf (generated)

000800022.b3lyp_6-31g(d).firefly.inp (generated)

000800022.b3lyp_6-31g(d).smash.inp (generated)

000800022.b3lyp_6-31g(d).nwchem.inp (generated) 000800022.b3lyp_6-31g(d).log.xz 000800022.td-b3lyp_6-31g+(d).inp 000800022.td-b3lyp_6-31g+(d).log.xz

000800022.td-b3lyp_6-31+g(d).qchem.inp (generated)

000800022.td-b3lyp_6-31+g(d).gjf (generated)

000800022.td-b3lyp_6-31+g(d).firefly.inp (generated)

000800022.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000800022.mol 000800022.PUBCHEM 000800022.mol (via Jmol)
000800030.b3lyp_6-31g(d).inp

000800030.b3lyp_6-31g(d).qchem.inp (generated)

000800030.b3lyp_6-31g(d).gjf (generated)

000800030.b3lyp_6-31g(d).firefly.inp (generated)

000800030.b3lyp_6-31g(d).smash.inp (generated)

000800030.b3lyp_6-31g(d).nwchem.inp (generated) 000800030.b3lyp_6-31g(d).log.xz 000800030.mol 000800030.PUBCHEM 000800030.mol (via Jmol)
000800031.b3lyp_6-31g(d).inp

000800031.b3lyp_6-31g(d).qchem.inp (generated)

000800031.b3lyp_6-31g(d).gjf (generated)

000800031.b3lyp_6-31g(d).firefly.inp (generated)

000800031.b3lyp_6-31g(d).smash.inp (generated)

000800031.b3lyp_6-31g(d).nwchem.inp (generated) 000800031.b3lyp_6-31g(d).log.xz 000800031.mol 000800031.PUBCHEM 000800031.mol (via Jmol)
000800032.b3lyp_6-31g(d).inp

000800032.b3lyp_6-31g(d).qchem.inp (generated)

000800032.b3lyp_6-31g(d).gjf (generated)

000800032.b3lyp_6-31g(d).firefly.inp (generated)

000800032.b3lyp_6-31g(d).smash.inp (generated)

000800032.b3lyp_6-31g(d).nwchem.inp (generated) 000800032.b3lyp_6-31g(d).log.xz 000800032.mol 000800032.PUBCHEM 000800032.mol (via Jmol)
000800073.b3lyp_6-31g(d).inp

000800073.b3lyp_6-31g(d).qchem.inp (generated)

000800073.b3lyp_6-31g(d).gjf (generated)

000800073.b3lyp_6-31g(d).firefly.inp (generated)

000800073.b3lyp_6-31g(d).smash.inp (generated)

000800073.b3lyp_6-31g(d).nwchem.inp (generated) 000800073.b3lyp_6-31g(d).log.xz 000800073.td-b3lyp_6-31g+(d).inp 000800073.td-b3lyp_6-31g+(d).log.xz

000800073.td-b3lyp_6-31+g(d).qchem.inp (generated)

000800073.td-b3lyp_6-31+g(d).gjf (generated)

000800073.td-b3lyp_6-31+g(d).firefly.inp (generated)

000800073.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000800073.mol 000800073.PUBCHEM 000800073.mol (via Jmol)
000800077.b3lyp_6-31g(d).inp

000800077.b3lyp_6-31g(d).qchem.inp (generated)

000800077.b3lyp_6-31g(d).gjf (generated)

000800077.b3lyp_6-31g(d).firefly.inp (generated)

000800077.b3lyp_6-31g(d).smash.inp (generated)

000800077.b3lyp_6-31g(d).nwchem.inp (generated) 000800077.b3lyp_6-31g(d).log.xz 000800077.td-b3lyp_6-31g+(d).inp 000800077.td-b3lyp_6-31g+(d).log.xz

000800077.td-b3lyp_6-31+g(d).qchem.inp (generated)

000800077.td-b3lyp_6-31+g(d).gjf (generated)

000800077.td-b3lyp_6-31+g(d).firefly.inp (generated)

000800077.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000800077.mol 000800077.PUBCHEM 000800077.mol (via Jmol)
000800108.b3lyp_6-31g(d).inp

000800108.b3lyp_6-31g(d).qchem.inp (generated)

000800108.b3lyp_6-31g(d).gjf (generated)

000800108.b3lyp_6-31g(d).firefly.inp (generated)

000800108.b3lyp_6-31g(d).smash.inp (generated)

000800108.b3lyp_6-31g(d).nwchem.inp (generated) 000800108.b3lyp_6-31g(d).log.xz 000800108.td-b3lyp_6-31g+(d).inp 000800108.td-b3lyp_6-31g+(d).log.xz

000800108.td-b3lyp_6-31+g(d).qchem.inp (generated)

000800108.td-b3lyp_6-31+g(d).gjf (generated)

000800108.td-b3lyp_6-31+g(d).firefly.inp (generated)

000800108.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000800108.mol 000800108.PUBCHEM 000800108.mol (via Jmol)
000800109.b3lyp_6-31g(d).inp

000800109.b3lyp_6-31g(d).qchem.inp (generated)

000800109.b3lyp_6-31g(d).gjf (generated)

000800109.b3lyp_6-31g(d).firefly.inp (generated)

000800109.b3lyp_6-31g(d).smash.inp (generated)

000800109.b3lyp_6-31g(d).nwchem.inp (generated) 000800109.b3lyp_6-31g(d).log.xz 000800109.td-b3lyp_6-31g+(d).inp 000800109.td-b3lyp_6-31g+(d).log.xz

000800109.td-b3lyp_6-31+g(d).qchem.inp (generated)

000800109.td-b3lyp_6-31+g(d).gjf (generated)

000800109.td-b3lyp_6-31+g(d).firefly.inp (generated)

000800109.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000800109.mol 000800109.PUBCHEM 000800109.mol (via Jmol)
000800115.b3lyp_6-31g(d).inp

000800115.b3lyp_6-31g(d).qchem.inp (generated)

000800115.b3lyp_6-31g(d).gjf (generated)

000800115.b3lyp_6-31g(d).firefly.inp (generated)

000800115.b3lyp_6-31g(d).smash.inp (generated)

000800115.b3lyp_6-31g(d).nwchem.inp (generated) 000800115.b3lyp_6-31g(d).log.xz 000800115.mol 000800115.PUBCHEM 000800115.mol (via Jmol)
000800116.b3lyp_6-31g(d).inp

000800116.b3lyp_6-31g(d).qchem.inp (generated)

000800116.b3lyp_6-31g(d).gjf (generated)

000800116.b3lyp_6-31g(d).firefly.inp (generated)

000800116.b3lyp_6-31g(d).smash.inp (generated)

000800116.b3lyp_6-31g(d).nwchem.inp (generated) 000800116.b3lyp_6-31g(d).log.xz 000800116.td-b3lyp_6-31g+(d).inp 000800116.td-b3lyp_6-31g+(d).log.xz

000800116.td-b3lyp_6-31+g(d).qchem.inp (generated)

000800116.td-b3lyp_6-31+g(d).gjf (generated)

000800116.td-b3lyp_6-31+g(d).firefly.inp (generated)

000800116.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000800116.mol 000800116.PUBCHEM 000800116.mol (via Jmol)
000800131.b3lyp_6-31g(d).inp

000800131.b3lyp_6-31g(d).qchem.inp (generated)

000800131.b3lyp_6-31g(d).gjf (generated)

000800131.b3lyp_6-31g(d).firefly.inp (generated)

000800131.b3lyp_6-31g(d).smash.inp (generated)

000800131.b3lyp_6-31g(d).nwchem.inp (generated) 000800131.b3lyp_6-31g(d).log.xz 000800131.td-b3lyp_6-31g+(d).inp 000800131.td-b3lyp_6-31g+(d).log.xz

000800131.td-b3lyp_6-31+g(d).qchem.inp (generated)

000800131.td-b3lyp_6-31+g(d).gjf (generated)

000800131.td-b3lyp_6-31+g(d).firefly.inp (generated)

000800131.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000800131.mol 000800131.PUBCHEM 000800131.mol (via Jmol)
000800152.b3lyp_6-31g(d).inp

000800152.b3lyp_6-31g(d).qchem.inp (generated)

000800152.b3lyp_6-31g(d).gjf (generated)

000800152.b3lyp_6-31g(d).firefly.inp (generated)

000800152.b3lyp_6-31g(d).smash.inp (generated)

000800152.b3lyp_6-31g(d).nwchem.inp (generated) 000800152.b3lyp_6-31g(d).log.xz 000800152.td-b3lyp_6-31g+(d).inp 000800152.td-b3lyp_6-31g+(d).log.xz

000800152.td-b3lyp_6-31+g(d).qchem.inp (generated)

000800152.td-b3lyp_6-31+g(d).gjf (generated)

000800152.td-b3lyp_6-31+g(d).firefly.inp (generated)

000800152.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000800152.mol 000800152.PUBCHEM 000800152.mol (via Jmol)
000800154.b3lyp_6-31g(d).inp

000800154.b3lyp_6-31g(d).qchem.inp (generated)

000800154.b3lyp_6-31g(d).gjf (generated)

000800154.b3lyp_6-31g(d).firefly.inp (generated)

000800154.b3lyp_6-31g(d).smash.inp (generated)

000800154.b3lyp_6-31g(d).nwchem.inp (generated) 000800154.b3lyp_6-31g(d).log.xz 000800154.td-b3lyp_6-31g+(d).inp 000800154.td-b3lyp_6-31g+(d).log.xz

000800154.td-b3lyp_6-31+g(d).qchem.inp (generated)

000800154.td-b3lyp_6-31+g(d).gjf (generated)

000800154.td-b3lyp_6-31+g(d).firefly.inp (generated)

000800154.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000800154.mol 000800154.PUBCHEM 000800154.mol (via Jmol)
000800156.b3lyp_6-31g(d).inp

000800156.b3lyp_6-31g(d).qchem.inp (generated)

000800156.b3lyp_6-31g(d).gjf (generated)

000800156.b3lyp_6-31g(d).firefly.inp (generated)

000800156.b3lyp_6-31g(d).smash.inp (generated)

000800156.b3lyp_6-31g(d).nwchem.inp (generated) 000800156.b3lyp_6-31g(d).log.xz 000800156.td-b3lyp_6-31g+(d).inp 000800156.td-b3lyp_6-31g+(d).log.xz

000800156.td-b3lyp_6-31+g(d).qchem.inp (generated)

000800156.td-b3lyp_6-31+g(d).gjf (generated)

000800156.td-b3lyp_6-31+g(d).firefly.inp (generated)

000800156.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000800156.mol 000800156.PUBCHEM 000800156.mol (via Jmol)
000800158.b3lyp_6-31g(d).inp

000800158.b3lyp_6-31g(d).qchem.inp (generated)

000800158.b3lyp_6-31g(d).gjf (generated)

000800158.b3lyp_6-31g(d).firefly.inp (generated)

000800158.b3lyp_6-31g(d).smash.inp (generated)

000800158.b3lyp_6-31g(d).nwchem.inp (generated) 000800158.b3lyp_6-31g(d).log.xz 000800158.td-b3lyp_6-31g+(d).inp 000800158.td-b3lyp_6-31g+(d).log.xz

000800158.td-b3lyp_6-31+g(d).qchem.inp (generated)

000800158.td-b3lyp_6-31+g(d).gjf (generated)

000800158.td-b3lyp_6-31+g(d).firefly.inp (generated)

000800158.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000800158.mol 000800158.PUBCHEM 000800158.mol (via Jmol)
000800161.b3lyp_6-31g(d).inp

000800161.b3lyp_6-31g(d).qchem.inp (generated)

000800161.b3lyp_6-31g(d).gjf (generated)

000800161.b3lyp_6-31g(d).firefly.inp (generated)

000800161.b3lyp_6-31g(d).smash.inp (generated)

000800161.b3lyp_6-31g(d).nwchem.inp (generated) 000800161.b3lyp_6-31g(d).log.xz 000800161.td-b3lyp_6-31g+(d).inp 000800161.td-b3lyp_6-31g+(d).log.xz

000800161.td-b3lyp_6-31+g(d).qchem.inp (generated)

000800161.td-b3lyp_6-31+g(d).gjf (generated)

000800161.td-b3lyp_6-31+g(d).firefly.inp (generated)

000800161.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000800161.mol 000800161.PUBCHEM 000800161.mol (via Jmol)
000800162.b3lyp_6-31g(d).inp

000800162.b3lyp_6-31g(d).qchem.inp (generated)

000800162.b3lyp_6-31g(d).gjf (generated)

000800162.b3lyp_6-31g(d).firefly.inp (generated)

000800162.b3lyp_6-31g(d).smash.inp (generated)

000800162.b3lyp_6-31g(d).nwchem.inp (generated) 000800162.b3lyp_6-31g(d).log.xz 000800162.td-b3lyp_6-31g+(d).inp 000800162.td-b3lyp_6-31g+(d).log.xz

000800162.td-b3lyp_6-31+g(d).qchem.inp (generated)

000800162.td-b3lyp_6-31+g(d).gjf (generated)

000800162.td-b3lyp_6-31+g(d).firefly.inp (generated)

000800162.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000800162.mol 000800162.PUBCHEM 000800162.mol (via Jmol)
000800189.b3lyp_6-31g(d).inp

000800189.b3lyp_6-31g(d).qchem.inp (generated)

000800189.b3lyp_6-31g(d).gjf (generated)

000800189.b3lyp_6-31g(d).firefly.inp (generated)

000800189.b3lyp_6-31g(d).smash.inp (generated)

000800189.b3lyp_6-31g(d).nwchem.inp (generated) 000800189.b3lyp_6-31g(d).log.xz 000800189.mol 000800189.PUBCHEM 000800189.mol (via Jmol)
000800230.b3lyp_6-31g(d).inp

000800230.b3lyp_6-31g(d).qchem.inp (generated)

000800230.b3lyp_6-31g(d).gjf (generated)

000800230.b3lyp_6-31g(d).firefly.inp (generated)

000800230.b3lyp_6-31g(d).smash.inp (generated)

000800230.b3lyp_6-31g(d).nwchem.inp (generated) 000800230.b3lyp_6-31g(d).log.xz 000800230.td-b3lyp_6-31g+(d).inp 000800230.td-b3lyp_6-31g+(d).log.xz

000800230.td-b3lyp_6-31+g(d).qchem.inp (generated)

000800230.td-b3lyp_6-31+g(d).gjf (generated)

000800230.td-b3lyp_6-31+g(d).firefly.inp (generated)

000800230.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000800230.mol 000800230.PUBCHEM 000800230.mol (via Jmol)
000800231.b3lyp_6-31g(d).inp

000800231.b3lyp_6-31g(d).qchem.inp (generated)

000800231.b3lyp_6-31g(d).gjf (generated)

000800231.b3lyp_6-31g(d).firefly.inp (generated)

000800231.b3lyp_6-31g(d).smash.inp (generated)

000800231.b3lyp_6-31g(d).nwchem.inp (generated) 000800231.b3lyp_6-31g(d).log.xz 000800231.mol 000800231.PUBCHEM 000800231.mol (via Jmol)
000800237.b3lyp_6-31g(d).inp

000800237.b3lyp_6-31g(d).qchem.inp (generated)

000800237.b3lyp_6-31g(d).gjf (generated)

000800237.b3lyp_6-31g(d).firefly.inp (generated)

000800237.b3lyp_6-31g(d).smash.inp (generated)

000800237.b3lyp_6-31g(d).nwchem.inp (generated) 000800237.b3lyp_6-31g(d).log.xz 000800237.td-b3lyp_6-31g+(d).inp 000800237.td-b3lyp_6-31g+(d).log.xz

000800237.td-b3lyp_6-31+g(d).qchem.inp (generated)

000800237.td-b3lyp_6-31+g(d).gjf (generated)

000800237.td-b3lyp_6-31+g(d).firefly.inp (generated)

000800237.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000800237.mol 000800237.PUBCHEM 000800237.mol (via Jmol)
000800243.b3lyp_6-31g(d).inp

000800243.b3lyp_6-31g(d).qchem.inp (generated)

000800243.b3lyp_6-31g(d).gjf (generated)

000800243.b3lyp_6-31g(d).firefly.inp (generated)

000800243.b3lyp_6-31g(d).smash.inp (generated)

000800243.b3lyp_6-31g(d).nwchem.inp (generated) 000800243.b3lyp_6-31g(d).log.xz 000800243.td-b3lyp_6-31g+(d).inp 000800243.td-b3lyp_6-31g+(d).log.xz

000800243.td-b3lyp_6-31+g(d).qchem.inp (generated)

000800243.td-b3lyp_6-31+g(d).gjf (generated)

000800243.td-b3lyp_6-31+g(d).firefly.inp (generated)

000800243.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000800243.mol 000800243.PUBCHEM 000800243.mol (via Jmol)
000800271.b3lyp_6-31g(d).inp

000800271.b3lyp_6-31g(d).qchem.inp (generated)

000800271.b3lyp_6-31g(d).gjf (generated)

000800271.b3lyp_6-31g(d).firefly.inp (generated)

000800271.b3lyp_6-31g(d).smash.inp (generated)

000800271.b3lyp_6-31g(d).nwchem.inp (generated) 000800271.b3lyp_6-31g(d).log.xz 000800271.mol 000800271.PUBCHEM 000800271.mol (via Jmol)
000800308.b3lyp_6-31g(d).inp

000800308.b3lyp_6-31g(d).qchem.inp (generated)

000800308.b3lyp_6-31g(d).gjf (generated)

000800308.b3lyp_6-31g(d).firefly.inp (generated)

000800308.b3lyp_6-31g(d).smash.inp (generated)

000800308.b3lyp_6-31g(d).nwchem.inp (generated) 000800308.b3lyp_6-31g(d).log.xz 000800308.td-b3lyp_6-31g+(d).inp 000800308.td-b3lyp_6-31g+(d).log.xz

000800308.td-b3lyp_6-31+g(d).qchem.inp (generated)

000800308.td-b3lyp_6-31+g(d).gjf (generated)

000800308.td-b3lyp_6-31+g(d).firefly.inp (generated)

000800308.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000800308.mol 000800308.PUBCHEM 000800308.mol (via Jmol)
000800309.b3lyp_6-31g(d).inp

000800309.b3lyp_6-31g(d).qchem.inp (generated)

000800309.b3lyp_6-31g(d).gjf (generated)

000800309.b3lyp_6-31g(d).firefly.inp (generated)

000800309.b3lyp_6-31g(d).smash.inp (generated)

000800309.b3lyp_6-31g(d).nwchem.inp (generated) 000800309.b3lyp_6-31g(d).log.xz 000800309.td-b3lyp_6-31g+(d).inp 000800309.td-b3lyp_6-31g+(d).log.xz

000800309.td-b3lyp_6-31+g(d).qchem.inp (generated)

000800309.td-b3lyp_6-31+g(d).gjf (generated)

000800309.td-b3lyp_6-31+g(d).firefly.inp (generated)

000800309.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000800309.mol 000800309.PUBCHEM 000800309.mol (via Jmol)
000800317.b3lyp_6-31g(d).inp

000800317.b3lyp_6-31g(d).qchem.inp (generated)

000800317.b3lyp_6-31g(d).gjf (generated)

000800317.b3lyp_6-31g(d).firefly.inp (generated)

000800317.b3lyp_6-31g(d).smash.inp (generated)

000800317.b3lyp_6-31g(d).nwchem.inp (generated) 000800317.b3lyp_6-31g(d).log.xz 000800317.td-b3lyp_6-31g+(d).inp 000800317.td-b3lyp_6-31g+(d).log.xz

000800317.td-b3lyp_6-31+g(d).qchem.inp (generated)

000800317.td-b3lyp_6-31+g(d).gjf (generated)

000800317.td-b3lyp_6-31+g(d).firefly.inp (generated)

000800317.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000800317.mol 000800317.PUBCHEM 000800317.mol (via Jmol)
000800319.b3lyp_6-31g(d).inp

000800319.b3lyp_6-31g(d).qchem.inp (generated)

000800319.b3lyp_6-31g(d).gjf (generated)

000800319.b3lyp_6-31g(d).firefly.inp (generated)

000800319.b3lyp_6-31g(d).smash.inp (generated)

000800319.b3lyp_6-31g(d).nwchem.inp (generated) 000800319.b3lyp_6-31g(d).log.xz 000800319.mol 000800319.PUBCHEM 000800319.mol (via Jmol)
000800334.b3lyp_6-31g(d).inp

000800334.b3lyp_6-31g(d).qchem.inp (generated)

000800334.b3lyp_6-31g(d).gjf (generated)

000800334.b3lyp_6-31g(d).firefly.inp (generated)

000800334.b3lyp_6-31g(d).smash.inp (generated)

000800334.b3lyp_6-31g(d).nwchem.inp (generated) 000800334.b3lyp_6-31g(d).log.xz 000800334.td-b3lyp_6-31g+(d).inp 000800334.td-b3lyp_6-31g+(d).log.xz

000800334.td-b3lyp_6-31+g(d).qchem.inp (generated)

000800334.td-b3lyp_6-31+g(d).gjf (generated)

000800334.td-b3lyp_6-31+g(d).firefly.inp (generated)

000800334.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000800334.mol 000800334.PUBCHEM 000800334.mol (via Jmol)
000800350.b3lyp_6-31g(d).inp

000800350.b3lyp_6-31g(d).qchem.inp (generated)

000800350.b3lyp_6-31g(d).gjf (generated)

000800350.b3lyp_6-31g(d).firefly.inp (generated)

000800350.b3lyp_6-31g(d).smash.inp (generated)

000800350.b3lyp_6-31g(d).nwchem.inp (generated) 000800350.b3lyp_6-31g(d).log.xz 000800350.td-b3lyp_6-31g+(d).inp 000800350.td-b3lyp_6-31g+(d).log.xz

000800350.td-b3lyp_6-31+g(d).qchem.inp (generated)

000800350.td-b3lyp_6-31+g(d).gjf (generated)

000800350.td-b3lyp_6-31+g(d).firefly.inp (generated)

000800350.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000800350.mol 000800350.PUBCHEM 000800350.mol (via Jmol)
000800351.b3lyp_6-31g(d).inp

000800351.b3lyp_6-31g(d).qchem.inp (generated)

000800351.b3lyp_6-31g(d).gjf (generated)

000800351.b3lyp_6-31g(d).firefly.inp (generated)

000800351.b3lyp_6-31g(d).smash.inp (generated)

000800351.b3lyp_6-31g(d).nwchem.inp (generated) 000800351.b3lyp_6-31g(d).log.xz 000800351.td-b3lyp_6-31g+(d).inp 000800351.td-b3lyp_6-31g+(d).log.xz

000800351.td-b3lyp_6-31+g(d).qchem.inp (generated)

000800351.td-b3lyp_6-31+g(d).gjf (generated)

000800351.td-b3lyp_6-31+g(d).firefly.inp (generated)

000800351.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000800351.mol 000800351.PUBCHEM 000800351.mol (via Jmol)
000800379.b3lyp_6-31g(d).inp

000800379.b3lyp_6-31g(d).qchem.inp (generated)

000800379.b3lyp_6-31g(d).gjf (generated)

000800379.b3lyp_6-31g(d).firefly.inp (generated)

000800379.b3lyp_6-31g(d).smash.inp (generated)

000800379.b3lyp_6-31g(d).nwchem.inp (generated) 000800379.b3lyp_6-31g(d).log.xz 000800379.td-b3lyp_6-31g+(d).inp 000800379.td-b3lyp_6-31g+(d).log.xz

000800379.td-b3lyp_6-31+g(d).qchem.inp (generated)

000800379.td-b3lyp_6-31+g(d).gjf (generated)

000800379.td-b3lyp_6-31+g(d).firefly.inp (generated)

000800379.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000800379.mol 000800379.PUBCHEM 000800379.mol (via Jmol)
000800416.b3lyp_6-31g(d).inp

000800416.b3lyp_6-31g(d).qchem.inp (generated)

000800416.b3lyp_6-31g(d).gjf (generated)

000800416.b3lyp_6-31g(d).firefly.inp (generated)

000800416.b3lyp_6-31g(d).smash.inp (generated)

000800416.b3lyp_6-31g(d).nwchem.inp (generated) 000800416.b3lyp_6-31g(d).log.xz 000800416.td-b3lyp_6-31g+(d).inp 000800416.td-b3lyp_6-31g+(d).log.xz

000800416.td-b3lyp_6-31+g(d).qchem.inp (generated)

000800416.td-b3lyp_6-31+g(d).gjf (generated)

000800416.td-b3lyp_6-31+g(d).firefly.inp (generated)

000800416.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000800416.mol 000800416.PUBCHEM 000800416.mol (via Jmol)
000800452.b3lyp_6-31g(d).inp

000800452.b3lyp_6-31g(d).qchem.inp (generated)

000800452.b3lyp_6-31g(d).gjf (generated)

000800452.b3lyp_6-31g(d).firefly.inp (generated)

000800452.b3lyp_6-31g(d).smash.inp (generated)

000800452.b3lyp_6-31g(d).nwchem.inp (generated) 000800452.b3lyp_6-31g(d).log.xz 000800452.td-b3lyp_6-31g+(d).inp 000800452.td-b3lyp_6-31g+(d).log.xz

000800452.td-b3lyp_6-31+g(d).qchem.inp (generated)

000800452.td-b3lyp_6-31+g(d).gjf (generated)

000800452.td-b3lyp_6-31+g(d).firefly.inp (generated)

000800452.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000800452.mol 000800452.PUBCHEM 000800452.mol (via Jmol)
000800520.b3lyp_6-31g(d).inp

000800520.b3lyp_6-31g(d).qchem.inp (generated)

000800520.b3lyp_6-31g(d).gjf (generated)

000800520.b3lyp_6-31g(d).firefly.inp (generated)

000800520.b3lyp_6-31g(d).smash.inp (generated)

000800520.b3lyp_6-31g(d).nwchem.inp (generated) 000800520.b3lyp_6-31g(d).log.xz 000800520.td-b3lyp_6-31g+(d).inp 000800520.td-b3lyp_6-31g+(d).log.xz

000800520.td-b3lyp_6-31+g(d).qchem.inp (generated)

000800520.td-b3lyp_6-31+g(d).gjf (generated)

000800520.td-b3lyp_6-31+g(d).firefly.inp (generated)

000800520.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000800520.mol 000800520.PUBCHEM 000800520.mol (via Jmol)
000800532.b3lyp_6-31g(d).inp

000800532.b3lyp_6-31g(d).qchem.inp (generated)

000800532.b3lyp_6-31g(d).gjf (generated)

000800532.b3lyp_6-31g(d).firefly.inp (generated)

000800532.b3lyp_6-31g(d).smash.inp (generated)

000800532.b3lyp_6-31g(d).nwchem.inp (generated) 000800532.b3lyp_6-31g(d).log.xz 000800532.td-b3lyp_6-31g+(d).inp 000800532.td-b3lyp_6-31g+(d).log.xz

000800532.td-b3lyp_6-31+g(d).qchem.inp (generated)

000800532.td-b3lyp_6-31+g(d).gjf (generated)

000800532.td-b3lyp_6-31+g(d).firefly.inp (generated)

000800532.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000800532.mol 000800532.PUBCHEM 000800532.mol (via Jmol)
000800643.b3lyp_6-31g(d).inp

000800643.b3lyp_6-31g(d).qchem.inp (generated)

000800643.b3lyp_6-31g(d).gjf (generated)

000800643.b3lyp_6-31g(d).firefly.inp (generated)

000800643.b3lyp_6-31g(d).smash.inp (generated)

000800643.b3lyp_6-31g(d).nwchem.inp (generated) 000800643.b3lyp_6-31g(d).log.xz 000800643.td-b3lyp_6-31g+(d).inp 000800643.td-b3lyp_6-31g+(d).log.xz

000800643.td-b3lyp_6-31+g(d).qchem.inp (generated)

000800643.td-b3lyp_6-31+g(d).gjf (generated)

000800643.td-b3lyp_6-31+g(d).firefly.inp (generated)

000800643.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000800643.mol 000800643.PUBCHEM 000800643.mol (via Jmol)
000800644.b3lyp_6-31g(d).inp

000800644.b3lyp_6-31g(d).qchem.inp (generated)

000800644.b3lyp_6-31g(d).gjf (generated)

000800644.b3lyp_6-31g(d).firefly.inp (generated)

000800644.b3lyp_6-31g(d).smash.inp (generated)

000800644.b3lyp_6-31g(d).nwchem.inp (generated) 000800644.b3lyp_6-31g(d).log.xz 000800644.td-b3lyp_6-31g+(d).inp 000800644.td-b3lyp_6-31g+(d).log.xz

000800644.td-b3lyp_6-31+g(d).qchem.inp (generated)

000800644.td-b3lyp_6-31+g(d).gjf (generated)

000800644.td-b3lyp_6-31+g(d).firefly.inp (generated)

000800644.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000800644.mol 000800644.PUBCHEM 000800644.mol (via Jmol)
000800653.b3lyp_6-31g(d).inp

000800653.b3lyp_6-31g(d).qchem.inp (generated)

000800653.b3lyp_6-31g(d).gjf (generated)

000800653.b3lyp_6-31g(d).firefly.inp (generated)

000800653.b3lyp_6-31g(d).smash.inp (generated)

000800653.b3lyp_6-31g(d).nwchem.inp (generated) 000800653.b3lyp_6-31g(d).log.xz 000800653.td-b3lyp_6-31g+(d).inp 000800653.td-b3lyp_6-31g+(d).log.xz

000800653.td-b3lyp_6-31+g(d).qchem.inp (generated)

000800653.td-b3lyp_6-31+g(d).gjf (generated)

000800653.td-b3lyp_6-31+g(d).firefly.inp (generated)

000800653.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000800653.mol 000800653.PUBCHEM 000800653.mol (via Jmol)
000800687.b3lyp_6-31g(d).inp

000800687.b3lyp_6-31g(d).qchem.inp (generated)

000800687.b3lyp_6-31g(d).gjf (generated)

000800687.b3lyp_6-31g(d).firefly.inp (generated)

000800687.b3lyp_6-31g(d).smash.inp (generated)

000800687.b3lyp_6-31g(d).nwchem.inp (generated) 000800687.b3lyp_6-31g(d).log.xz 000800687.mol 000800687.PUBCHEM 000800687.mol (via Jmol)
000800743.b3lyp_6-31g(d).inp

000800743.b3lyp_6-31g(d).qchem.inp (generated)

000800743.b3lyp_6-31g(d).gjf (generated)

000800743.b3lyp_6-31g(d).firefly.inp (generated)

000800743.b3lyp_6-31g(d).smash.inp (generated)

000800743.b3lyp_6-31g(d).nwchem.inp (generated) 000800743.b3lyp_6-31g(d).log.xz 000800743.td-b3lyp_6-31g+(d).inp 000800743.td-b3lyp_6-31g+(d).log.xz

000800743.td-b3lyp_6-31+g(d).qchem.inp (generated)

000800743.td-b3lyp_6-31+g(d).gjf (generated)

000800743.td-b3lyp_6-31+g(d).firefly.inp (generated)

000800743.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000800743.mol 000800743.PUBCHEM 000800743.mol (via Jmol)
000800783.b3lyp_6-31g(d).inp

000800783.b3lyp_6-31g(d).qchem.inp (generated)

000800783.b3lyp_6-31g(d).gjf (generated)

000800783.b3lyp_6-31g(d).firefly.inp (generated)

000800783.b3lyp_6-31g(d).smash.inp (generated)

000800783.b3lyp_6-31g(d).nwchem.inp (generated) 000800783.b3lyp_6-31g(d).log.xz 000800783.mol 000800783.PUBCHEM 000800783.mol (via Jmol)
000800795.b3lyp_6-31g(d).inp

000800795.b3lyp_6-31g(d).qchem.inp (generated)

000800795.b3lyp_6-31g(d).gjf (generated)

000800795.b3lyp_6-31g(d).firefly.inp (generated)

000800795.b3lyp_6-31g(d).smash.inp (generated)

000800795.b3lyp_6-31g(d).nwchem.inp (generated) 000800795.b3lyp_6-31g(d).log.xz 000800795.mol 000800795.PUBCHEM 000800795.mol (via Jmol)
000800810.b3lyp_6-31g(d).inp

000800810.b3lyp_6-31g(d).qchem.inp (generated)

000800810.b3lyp_6-31g(d).gjf (generated)

000800810.b3lyp_6-31g(d).firefly.inp (generated)

000800810.b3lyp_6-31g(d).smash.inp (generated)

000800810.b3lyp_6-31g(d).nwchem.inp (generated) 000800810.b3lyp_6-31g(d).log.xz 000800810.td-b3lyp_6-31g+(d).inp 000800810.td-b3lyp_6-31g+(d).log.xz

000800810.td-b3lyp_6-31+g(d).qchem.inp (generated)

000800810.td-b3lyp_6-31+g(d).gjf (generated)

000800810.td-b3lyp_6-31+g(d).firefly.inp (generated)

000800810.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000800810.mol 000800810.PUBCHEM 000800810.mol (via Jmol)
000800811.b3lyp_6-31g(d).inp

000800811.b3lyp_6-31g(d).qchem.inp (generated)

000800811.b3lyp_6-31g(d).gjf (generated)

000800811.b3lyp_6-31g(d).firefly.inp (generated)

000800811.b3lyp_6-31g(d).smash.inp (generated)

000800811.b3lyp_6-31g(d).nwchem.inp (generated) 000800811.b3lyp_6-31g(d).log.xz 000800811.td-b3lyp_6-31g+(d).inp 000800811.td-b3lyp_6-31g+(d).log.xz

000800811.td-b3lyp_6-31+g(d).qchem.inp (generated)

000800811.td-b3lyp_6-31+g(d).gjf (generated)

000800811.td-b3lyp_6-31+g(d).firefly.inp (generated)

000800811.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000800811.mol 000800811.PUBCHEM 000800811.mol (via Jmol)
000800815.b3lyp_6-31g(d).inp

000800815.b3lyp_6-31g(d).qchem.inp (generated)

000800815.b3lyp_6-31g(d).gjf (generated)

000800815.b3lyp_6-31g(d).firefly.inp (generated)

000800815.b3lyp_6-31g(d).smash.inp (generated)

000800815.b3lyp_6-31g(d).nwchem.inp (generated) 000800815.b3lyp_6-31g(d).log.xz 000800815.td-b3lyp_6-31g+(d).inp 000800815.td-b3lyp_6-31g+(d).log.xz

000800815.td-b3lyp_6-31+g(d).qchem.inp (generated)

000800815.td-b3lyp_6-31+g(d).gjf (generated)

000800815.td-b3lyp_6-31+g(d).firefly.inp (generated)

000800815.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000800815.mol 000800815.PUBCHEM 000800815.mol (via Jmol)
000800817.b3lyp_6-31g(d).inp

000800817.b3lyp_6-31g(d).qchem.inp (generated)

000800817.b3lyp_6-31g(d).gjf (generated)

000800817.b3lyp_6-31g(d).firefly.inp (generated)

000800817.b3lyp_6-31g(d).smash.inp (generated)

000800817.b3lyp_6-31g(d).nwchem.inp (generated) 000800817.b3lyp_6-31g(d).log.xz 000800817.td-b3lyp_6-31g+(d).inp 000800817.td-b3lyp_6-31g+(d).log.xz

000800817.td-b3lyp_6-31+g(d).qchem.inp (generated)

000800817.td-b3lyp_6-31+g(d).gjf (generated)

000800817.td-b3lyp_6-31+g(d).firefly.inp (generated)

000800817.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000800817.mol 000800817.PUBCHEM 000800817.mol (via Jmol)
000800893.b3lyp_6-31g(d).inp

000800893.b3lyp_6-31g(d).qchem.inp (generated)

000800893.b3lyp_6-31g(d).gjf (generated)

000800893.b3lyp_6-31g(d).firefly.inp (generated)

000800893.b3lyp_6-31g(d).smash.inp (generated)

000800893.b3lyp_6-31g(d).nwchem.inp (generated) 000800893.b3lyp_6-31g(d).log.xz 000800893.mol 000800893.PUBCHEM 000800893.mol (via Jmol)
000800895.b3lyp_6-31g(d).inp

000800895.b3lyp_6-31g(d).qchem.inp (generated)

000800895.b3lyp_6-31g(d).gjf (generated)

000800895.b3lyp_6-31g(d).firefly.inp (generated)

000800895.b3lyp_6-31g(d).smash.inp (generated)

000800895.b3lyp_6-31g(d).nwchem.inp (generated) 000800895.b3lyp_6-31g(d).log.xz 000800895.mol 000800895.PUBCHEM 000800895.mol (via Jmol)
000800896.b3lyp_6-31g(d).inp

000800896.b3lyp_6-31g(d).qchem.inp (generated)

000800896.b3lyp_6-31g(d).gjf (generated)

000800896.b3lyp_6-31g(d).firefly.inp (generated)

000800896.b3lyp_6-31g(d).smash.inp (generated)

000800896.b3lyp_6-31g(d).nwchem.inp (generated) 000800896.b3lyp_6-31g(d).log.xz 000800896.mol 000800896.PUBCHEM 000800896.mol (via Jmol)
000800898.b3lyp_6-31g(d).inp

000800898.b3lyp_6-31g(d).qchem.inp (generated)

000800898.b3lyp_6-31g(d).gjf (generated)

000800898.b3lyp_6-31g(d).firefly.inp (generated)

000800898.b3lyp_6-31g(d).smash.inp (generated)

000800898.b3lyp_6-31g(d).nwchem.inp (generated) 000800898.b3lyp_6-31g(d).log.xz 000800898.td-b3lyp_6-31g+(d).inp 000800898.td-b3lyp_6-31g+(d).log.xz

000800898.td-b3lyp_6-31+g(d).qchem.inp (generated)

000800898.td-b3lyp_6-31+g(d).gjf (generated)

000800898.td-b3lyp_6-31+g(d).firefly.inp (generated)

000800898.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000800898.mol 000800898.PUBCHEM 000800898.mol (via Jmol)
000800907.b3lyp_6-31g(d).inp

000800907.b3lyp_6-31g(d).qchem.inp (generated)

000800907.b3lyp_6-31g(d).gjf (generated)

000800907.b3lyp_6-31g(d).firefly.inp (generated)

000800907.b3lyp_6-31g(d).smash.inp (generated)

000800907.b3lyp_6-31g(d).nwchem.inp (generated) 000800907.b3lyp_6-31g(d).log.xz 000800907.td-b3lyp_6-31g+(d).inp 000800907.td-b3lyp_6-31g+(d).log.xz

000800907.td-b3lyp_6-31+g(d).qchem.inp (generated)

000800907.td-b3lyp_6-31+g(d).gjf (generated)

000800907.td-b3lyp_6-31+g(d).firefly.inp (generated)

000800907.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000800907.mol 000800907.PUBCHEM 000800907.mol (via Jmol)
000800935.b3lyp_6-31g(d).inp

000800935.b3lyp_6-31g(d).qchem.inp (generated)

000800935.b3lyp_6-31g(d).gjf (generated)

000800935.b3lyp_6-31g(d).firefly.inp (generated)

000800935.b3lyp_6-31g(d).smash.inp (generated)

000800935.b3lyp_6-31g(d).nwchem.inp (generated) 000800935.b3lyp_6-31g(d).log.xz 000800935.td-b3lyp_6-31g+(d).inp 000800935.td-b3lyp_6-31g+(d).log.xz

000800935.td-b3lyp_6-31+g(d).qchem.inp (generated)

000800935.td-b3lyp_6-31+g(d).gjf (generated)

000800935.td-b3lyp_6-31+g(d).firefly.inp (generated)

000800935.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000800935.mol 000800935.PUBCHEM 000800935.mol (via Jmol)
000800945.b3lyp_6-31g(d).inp

000800945.b3lyp_6-31g(d).qchem.inp (generated)

000800945.b3lyp_6-31g(d).gjf (generated)

000800945.b3lyp_6-31g(d).firefly.inp (generated)

000800945.b3lyp_6-31g(d).smash.inp (generated)

000800945.b3lyp_6-31g(d).nwchem.inp (generated) 000800945.b3lyp_6-31g(d).log.xz 000800945.td-b3lyp_6-31g+(d).inp 000800945.td-b3lyp_6-31g+(d).log.xz

000800945.td-b3lyp_6-31+g(d).qchem.inp (generated)

000800945.td-b3lyp_6-31+g(d).gjf (generated)

000800945.td-b3lyp_6-31+g(d).firefly.inp (generated)

000800945.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000800945.mol 000800945.PUBCHEM 000800945.mol (via Jmol)
000800956.b3lyp_6-31g(d).inp

000800956.b3lyp_6-31g(d).qchem.inp (generated)

000800956.b3lyp_6-31g(d).gjf (generated)

000800956.b3lyp_6-31g(d).firefly.inp (generated)

000800956.b3lyp_6-31g(d).smash.inp (generated)

000800956.b3lyp_6-31g(d).nwchem.inp (generated) 000800956.b3lyp_6-31g(d).log.xz 000800956.td-b3lyp_6-31g+(d).inp 000800956.td-b3lyp_6-31g+(d).log.xz

000800956.td-b3lyp_6-31+g(d).qchem.inp (generated)

000800956.td-b3lyp_6-31+g(d).gjf (generated)

000800956.td-b3lyp_6-31+g(d).firefly.inp (generated)

000800956.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000800956.mol 000800956.PUBCHEM 000800956.mol (via Jmol)
000800998.b3lyp_6-31g(d).inp

000800998.b3lyp_6-31g(d).qchem.inp (generated)

000800998.b3lyp_6-31g(d).gjf (generated)

000800998.b3lyp_6-31g(d).firefly.inp (generated)

000800998.b3lyp_6-31g(d).smash.inp (generated)

000800998.b3lyp_6-31g(d).nwchem.inp (generated) 000800998.b3lyp_6-31g(d).log.xz 000800998.mol 000800998.PUBCHEM 000800998.mol (via Jmol)
000801001.b3lyp_6-31g(d).inp

000801001.b3lyp_6-31g(d).qchem.inp (generated)

000801001.b3lyp_6-31g(d).gjf (generated)

000801001.b3lyp_6-31g(d).firefly.inp (generated)

000801001.b3lyp_6-31g(d).smash.inp (generated)

000801001.b3lyp_6-31g(d).nwchem.inp (generated) 000801001.b3lyp_6-31g(d).log.xz 000801001.mol 000801001.PUBCHEM 000801001.mol (via Jmol)
000801019.b3lyp_6-31g(d).inp

000801019.b3lyp_6-31g(d).qchem.inp (generated)

000801019.b3lyp_6-31g(d).gjf (generated)

000801019.b3lyp_6-31g(d).firefly.inp (generated)

000801019.b3lyp_6-31g(d).smash.inp (generated)

000801019.b3lyp_6-31g(d).nwchem.inp (generated) 000801019.b3lyp_6-31g(d).log.xz 000801019.td-b3lyp_6-31g+(d).inp 000801019.td-b3lyp_6-31g+(d).log.xz

000801019.td-b3lyp_6-31+g(d).qchem.inp (generated)

000801019.td-b3lyp_6-31+g(d).gjf (generated)

000801019.td-b3lyp_6-31+g(d).firefly.inp (generated)

000801019.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000801019.mol 000801019.PUBCHEM 000801019.mol (via Jmol)
000801020.b3lyp_6-31g(d).inp

000801020.b3lyp_6-31g(d).qchem.inp (generated)

000801020.b3lyp_6-31g(d).gjf (generated)

000801020.b3lyp_6-31g(d).firefly.inp (generated)

000801020.b3lyp_6-31g(d).smash.inp (generated)

000801020.b3lyp_6-31g(d).nwchem.inp (generated) 000801020.b3lyp_6-31g(d).log.xz 000801020.td-b3lyp_6-31g+(d).inp 000801020.td-b3lyp_6-31g+(d).log.xz

000801020.td-b3lyp_6-31+g(d).qchem.inp (generated)

000801020.td-b3lyp_6-31+g(d).gjf (generated)

000801020.td-b3lyp_6-31+g(d).firefly.inp (generated)

000801020.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000801020.mol 000801020.PUBCHEM 000801020.mol (via Jmol)
000801048.b3lyp_6-31g(d).inp

000801048.b3lyp_6-31g(d).qchem.inp (generated)

000801048.b3lyp_6-31g(d).gjf (generated)

000801048.b3lyp_6-31g(d).firefly.inp (generated)

000801048.b3lyp_6-31g(d).smash.inp (generated)

000801048.b3lyp_6-31g(d).nwchem.inp (generated) 000801048.b3lyp_6-31g(d).log.xz 000801048.td-b3lyp_6-31g+(d).inp 000801048.td-b3lyp_6-31g+(d).log.xz

000801048.td-b3lyp_6-31+g(d).qchem.inp (generated)

000801048.td-b3lyp_6-31+g(d).gjf (generated)

000801048.td-b3lyp_6-31+g(d).firefly.inp (generated)

000801048.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000801048.mol 000801048.PUBCHEM 000801048.mol (via Jmol)
000801076.b3lyp_6-31g(d).inp

000801076.b3lyp_6-31g(d).qchem.inp (generated)

000801076.b3lyp_6-31g(d).gjf (generated)

000801076.b3lyp_6-31g(d).firefly.inp (generated)

000801076.b3lyp_6-31g(d).smash.inp (generated)

000801076.b3lyp_6-31g(d).nwchem.inp (generated) 000801076.b3lyp_6-31g(d).log.xz 000801076.td-b3lyp_6-31g+(d).inp 000801076.td-b3lyp_6-31g+(d).log.xz

000801076.td-b3lyp_6-31+g(d).qchem.inp (generated)

000801076.td-b3lyp_6-31+g(d).gjf (generated)

000801076.td-b3lyp_6-31+g(d).firefly.inp (generated)

000801076.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000801076.mol 000801076.PUBCHEM 000801076.mol (via Jmol)
000801094.b3lyp_6-31g(d).inp

000801094.b3lyp_6-31g(d).qchem.inp (generated)

000801094.b3lyp_6-31g(d).gjf (generated)

000801094.b3lyp_6-31g(d).firefly.inp (generated)

000801094.b3lyp_6-31g(d).smash.inp (generated)

000801094.b3lyp_6-31g(d).nwchem.inp (generated) 000801094.b3lyp_6-31g(d).log.xz 000801094.td-b3lyp_6-31g+(d).inp 000801094.td-b3lyp_6-31g+(d).log.xz

000801094.td-b3lyp_6-31+g(d).qchem.inp (generated)

000801094.td-b3lyp_6-31+g(d).gjf (generated)

000801094.td-b3lyp_6-31+g(d).firefly.inp (generated)

000801094.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000801094.mol 000801094.PUBCHEM 000801094.mol (via Jmol)
000801126.b3lyp_6-31g(d).inp

000801126.b3lyp_6-31g(d).qchem.inp (generated)

000801126.b3lyp_6-31g(d).gjf (generated)

000801126.b3lyp_6-31g(d).firefly.inp (generated)

000801126.b3lyp_6-31g(d).smash.inp (generated)

000801126.b3lyp_6-31g(d).nwchem.inp (generated) 000801126.b3lyp_6-31g(d).log.xz 000801126.mol 000801126.PUBCHEM 000801126.mol (via Jmol)
000801133.b3lyp_6-31g(d).inp

000801133.b3lyp_6-31g(d).qchem.inp (generated)

000801133.b3lyp_6-31g(d).gjf (generated)

000801133.b3lyp_6-31g(d).firefly.inp (generated)

000801133.b3lyp_6-31g(d).smash.inp (generated)

000801133.b3lyp_6-31g(d).nwchem.inp (generated) 000801133.b3lyp_6-31g(d).log.xz 000801133.td-b3lyp_6-31g+(d).inp 000801133.td-b3lyp_6-31g+(d).log.xz

000801133.td-b3lyp_6-31+g(d).qchem.inp (generated)

000801133.td-b3lyp_6-31+g(d).gjf (generated)

000801133.td-b3lyp_6-31+g(d).firefly.inp (generated)

000801133.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000801133.mol 000801133.PUBCHEM 000801133.mol (via Jmol)
000801145.b3lyp_6-31g(d).inp

000801145.b3lyp_6-31g(d).qchem.inp (generated)

000801145.b3lyp_6-31g(d).gjf (generated)

000801145.b3lyp_6-31g(d).firefly.inp (generated)

000801145.b3lyp_6-31g(d).smash.inp (generated)

000801145.b3lyp_6-31g(d).nwchem.inp (generated) 000801145.b3lyp_6-31g(d).log.xz 000801145.mol 000801145.PUBCHEM 000801145.mol (via Jmol)
000801147.b3lyp_6-31g(d).inp

000801147.b3lyp_6-31g(d).qchem.inp (generated)

000801147.b3lyp_6-31g(d).gjf (generated)

000801147.b3lyp_6-31g(d).firefly.inp (generated)

000801147.b3lyp_6-31g(d).smash.inp (generated)

000801147.b3lyp_6-31g(d).nwchem.inp (generated) 000801147.b3lyp_6-31g(d).log.xz 000801147.td-b3lyp_6-31g+(d).inp 000801147.td-b3lyp_6-31g+(d).log.xz

000801147.td-b3lyp_6-31+g(d).qchem.inp (generated)

000801147.td-b3lyp_6-31+g(d).gjf (generated)

000801147.td-b3lyp_6-31+g(d).firefly.inp (generated)

000801147.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000801147.mol 000801147.PUBCHEM 000801147.mol (via Jmol)
000801188.b3lyp_6-31g(d).inp

000801188.b3lyp_6-31g(d).qchem.inp (generated)

000801188.b3lyp_6-31g(d).gjf (generated)

000801188.b3lyp_6-31g(d).firefly.inp (generated)

000801188.b3lyp_6-31g(d).smash.inp (generated)

000801188.b3lyp_6-31g(d).nwchem.inp (generated) 000801188.b3lyp_6-31g(d).log.xz 000801188.td-b3lyp_6-31g+(d).inp 000801188.td-b3lyp_6-31g+(d).log.xz

000801188.td-b3lyp_6-31+g(d).qchem.inp (generated)

000801188.td-b3lyp_6-31+g(d).gjf (generated)

000801188.td-b3lyp_6-31+g(d).firefly.inp (generated)

000801188.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000801188.mol 000801188.PUBCHEM 000801188.mol (via Jmol)
000801221.b3lyp_6-31g(d).inp

000801221.b3lyp_6-31g(d).qchem.inp (generated)

000801221.b3lyp_6-31g(d).gjf (generated)

000801221.b3lyp_6-31g(d).firefly.inp (generated)

000801221.b3lyp_6-31g(d).smash.inp (generated)

000801221.b3lyp_6-31g(d).nwchem.inp (generated) 000801221.b3lyp_6-31g(d).log.xz 000801221.td-b3lyp_6-31g+(d).inp 000801221.td-b3lyp_6-31g+(d).log.xz

000801221.td-b3lyp_6-31+g(d).qchem.inp (generated)

000801221.td-b3lyp_6-31+g(d).gjf (generated)

000801221.td-b3lyp_6-31+g(d).firefly.inp (generated)

000801221.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000801221.mol 000801221.PUBCHEM 000801221.mol (via Jmol)
000801258.b3lyp_6-31g(d).inp

000801258.b3lyp_6-31g(d).qchem.inp (generated)

000801258.b3lyp_6-31g(d).gjf (generated)

000801258.b3lyp_6-31g(d).firefly.inp (generated)

000801258.b3lyp_6-31g(d).smash.inp (generated)

000801258.b3lyp_6-31g(d).nwchem.inp (generated) 000801258.b3lyp_6-31g(d).log.xz 000801258.td-b3lyp_6-31g+(d).inp 000801258.td-b3lyp_6-31g+(d).log.xz

000801258.td-b3lyp_6-31+g(d).qchem.inp (generated)

000801258.td-b3lyp_6-31+g(d).gjf (generated)

000801258.td-b3lyp_6-31+g(d).firefly.inp (generated)

000801258.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000801258.mol 000801258.PUBCHEM 000801258.mol (via Jmol)
000801260.b3lyp_6-31g(d).inp

000801260.b3lyp_6-31g(d).qchem.inp (generated)

000801260.b3lyp_6-31g(d).gjf (generated)

000801260.b3lyp_6-31g(d).firefly.inp (generated)

000801260.b3lyp_6-31g(d).smash.inp (generated)

000801260.b3lyp_6-31g(d).nwchem.inp (generated) 000801260.b3lyp_6-31g(d).log.xz 000801260.td-b3lyp_6-31g+(d).inp 000801260.td-b3lyp_6-31g+(d).log.xz

000801260.td-b3lyp_6-31+g(d).qchem.inp (generated)

000801260.td-b3lyp_6-31+g(d).gjf (generated)

000801260.td-b3lyp_6-31+g(d).firefly.inp (generated)

000801260.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000801260.mol 000801260.PUBCHEM 000801260.mol (via Jmol)
000801262.b3lyp_6-31g(d).inp

000801262.b3lyp_6-31g(d).qchem.inp (generated)

000801262.b3lyp_6-31g(d).gjf (generated)

000801262.b3lyp_6-31g(d).firefly.inp (generated)

000801262.b3lyp_6-31g(d).smash.inp (generated)

000801262.b3lyp_6-31g(d).nwchem.inp (generated) 000801262.b3lyp_6-31g(d).log.xz 000801262.td-b3lyp_6-31g+(d).inp 000801262.td-b3lyp_6-31g+(d).log.xz

000801262.td-b3lyp_6-31+g(d).qchem.inp (generated)

000801262.td-b3lyp_6-31+g(d).gjf (generated)

000801262.td-b3lyp_6-31+g(d).firefly.inp (generated)

000801262.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000801262.mol 000801262.PUBCHEM 000801262.mol (via Jmol)
000801264.b3lyp_6-31g(d).inp

000801264.b3lyp_6-31g(d).qchem.inp (generated)

000801264.b3lyp_6-31g(d).gjf (generated)

000801264.b3lyp_6-31g(d).firefly.inp (generated)

000801264.b3lyp_6-31g(d).smash.inp (generated)

000801264.b3lyp_6-31g(d).nwchem.inp (generated) 000801264.b3lyp_6-31g(d).log.xz 000801264.td-b3lyp_6-31g+(d).inp 000801264.td-b3lyp_6-31g+(d).log.xz

000801264.td-b3lyp_6-31+g(d).qchem.inp (generated)

000801264.td-b3lyp_6-31+g(d).gjf (generated)

000801264.td-b3lyp_6-31+g(d).firefly.inp (generated)

000801264.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000801264.mol 000801264.PUBCHEM 000801264.mol (via Jmol)
000801265.b3lyp_6-31g(d).inp

000801265.b3lyp_6-31g(d).qchem.inp (generated)

000801265.b3lyp_6-31g(d).gjf (generated)

000801265.b3lyp_6-31g(d).firefly.inp (generated)

000801265.b3lyp_6-31g(d).smash.inp (generated)

000801265.b3lyp_6-31g(d).nwchem.inp (generated) 000801265.b3lyp_6-31g(d).log.xz 000801265.td-b3lyp_6-31g+(d).inp 000801265.td-b3lyp_6-31g+(d).log.xz

000801265.td-b3lyp_6-31+g(d).qchem.inp (generated)

000801265.td-b3lyp_6-31+g(d).gjf (generated)

000801265.td-b3lyp_6-31+g(d).firefly.inp (generated)

000801265.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000801265.mol 000801265.PUBCHEM 000801265.mol (via Jmol)
000801274.b3lyp_6-31g(d).inp

000801274.b3lyp_6-31g(d).qchem.inp (generated)

000801274.b3lyp_6-31g(d).gjf (generated)

000801274.b3lyp_6-31g(d).firefly.inp (generated)

000801274.b3lyp_6-31g(d).smash.inp (generated)

000801274.b3lyp_6-31g(d).nwchem.inp (generated) 000801274.b3lyp_6-31g(d).log.xz 000801274.td-b3lyp_6-31g+(d).inp 000801274.td-b3lyp_6-31g+(d).log.xz

000801274.td-b3lyp_6-31+g(d).qchem.inp (generated)

000801274.td-b3lyp_6-31+g(d).gjf (generated)

000801274.td-b3lyp_6-31+g(d).firefly.inp (generated)

000801274.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000801274.mol 000801274.PUBCHEM 000801274.mol (via Jmol)
000801279.b3lyp_6-31g(d).inp

000801279.b3lyp_6-31g(d).qchem.inp (generated)

000801279.b3lyp_6-31g(d).gjf (generated)

000801279.b3lyp_6-31g(d).firefly.inp (generated)

000801279.b3lyp_6-31g(d).smash.inp (generated)

000801279.b3lyp_6-31g(d).nwchem.inp (generated) 000801279.b3lyp_6-31g(d).log.xz 000801279.td-b3lyp_6-31g+(d).inp 000801279.td-b3lyp_6-31g+(d).log.xz

000801279.td-b3lyp_6-31+g(d).qchem.inp (generated)

000801279.td-b3lyp_6-31+g(d).gjf (generated)

000801279.td-b3lyp_6-31+g(d).firefly.inp (generated)

000801279.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000801279.mol 000801279.PUBCHEM 000801279.mol (via Jmol)
000801356.b3lyp_6-31g(d).inp

000801356.b3lyp_6-31g(d).qchem.inp (generated)

000801356.b3lyp_6-31g(d).gjf (generated)

000801356.b3lyp_6-31g(d).firefly.inp (generated)

000801356.b3lyp_6-31g(d).smash.inp (generated)

000801356.b3lyp_6-31g(d).nwchem.inp (generated) 000801356.b3lyp_6-31g(d).log.xz 000801356.mol 000801356.PUBCHEM 000801356.mol (via Jmol)
000801418.b3lyp_6-31g(d).inp

000801418.b3lyp_6-31g(d).qchem.inp (generated)

000801418.b3lyp_6-31g(d).gjf (generated)

000801418.b3lyp_6-31g(d).firefly.inp (generated)

000801418.b3lyp_6-31g(d).smash.inp (generated)

000801418.b3lyp_6-31g(d).nwchem.inp (generated) 000801418.b3lyp_6-31g(d).log.xz 000801418.td-b3lyp_6-31g+(d).inp 000801418.td-b3lyp_6-31g+(d).log.xz

000801418.td-b3lyp_6-31+g(d).qchem.inp (generated)

000801418.td-b3lyp_6-31+g(d).gjf (generated)

000801418.td-b3lyp_6-31+g(d).firefly.inp (generated)

000801418.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000801418.mol 000801418.PUBCHEM 000801418.mol (via Jmol)
000801428.b3lyp_6-31g(d).inp

000801428.b3lyp_6-31g(d).qchem.inp (generated)

000801428.b3lyp_6-31g(d).gjf (generated)

000801428.b3lyp_6-31g(d).firefly.inp (generated)

000801428.b3lyp_6-31g(d).smash.inp (generated)

000801428.b3lyp_6-31g(d).nwchem.inp (generated) 000801428.b3lyp_6-31g(d).log.xz 000801428.td-b3lyp_6-31g+(d).inp 000801428.td-b3lyp_6-31g+(d).log.xz

000801428.td-b3lyp_6-31+g(d).qchem.inp (generated)

000801428.td-b3lyp_6-31+g(d).gjf (generated)

000801428.td-b3lyp_6-31+g(d).firefly.inp (generated)

000801428.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000801428.mol 000801428.PUBCHEM 000801428.mol (via Jmol)
000801465.b3lyp_6-31g(d).inp

000801465.b3lyp_6-31g(d).qchem.inp (generated)

000801465.b3lyp_6-31g(d).gjf (generated)

000801465.b3lyp_6-31g(d).firefly.inp (generated)

000801465.b3lyp_6-31g(d).smash.inp (generated)

000801465.b3lyp_6-31g(d).nwchem.inp (generated) 000801465.b3lyp_6-31g(d).log.xz 000801465.td-b3lyp_6-31g+(d).inp 000801465.td-b3lyp_6-31g+(d).log.xz

000801465.td-b3lyp_6-31+g(d).qchem.inp (generated)

000801465.td-b3lyp_6-31+g(d).gjf (generated)

000801465.td-b3lyp_6-31+g(d).firefly.inp (generated)

000801465.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000801465.mol 000801465.PUBCHEM 000801465.mol (via Jmol)
000801481.b3lyp_6-31g(d).inp

000801481.b3lyp_6-31g(d).qchem.inp (generated)

000801481.b3lyp_6-31g(d).gjf (generated)

000801481.b3lyp_6-31g(d).firefly.inp (generated)

000801481.b3lyp_6-31g(d).smash.inp (generated)

000801481.b3lyp_6-31g(d).nwchem.inp (generated) 000801481.b3lyp_6-31g(d).log.xz 000801481.td-b3lyp_6-31g+(d).inp 000801481.td-b3lyp_6-31g+(d).log.xz

000801481.td-b3lyp_6-31+g(d).qchem.inp (generated)

000801481.td-b3lyp_6-31+g(d).gjf (generated)

000801481.td-b3lyp_6-31+g(d).firefly.inp (generated)

000801481.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000801481.mol 000801481.PUBCHEM 000801481.mol (via Jmol)
000801489.b3lyp_6-31g(d).inp

000801489.b3lyp_6-31g(d).qchem.inp (generated)

000801489.b3lyp_6-31g(d).gjf (generated)

000801489.b3lyp_6-31g(d).firefly.inp (generated)

000801489.b3lyp_6-31g(d).smash.inp (generated)

000801489.b3lyp_6-31g(d).nwchem.inp (generated) 000801489.b3lyp_6-31g(d).log.xz 000801489.td-b3lyp_6-31g+(d).inp 000801489.td-b3lyp_6-31g+(d).log.xz

000801489.td-b3lyp_6-31+g(d).qchem.inp (generated)

000801489.td-b3lyp_6-31+g(d).gjf (generated)

000801489.td-b3lyp_6-31+g(d).firefly.inp (generated)

000801489.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000801489.mol 000801489.PUBCHEM 000801489.mol (via Jmol)
000801502.b3lyp_6-31g(d).inp

000801502.b3lyp_6-31g(d).qchem.inp (generated)

000801502.b3lyp_6-31g(d).gjf (generated)

000801502.b3lyp_6-31g(d).firefly.inp (generated)

000801502.b3lyp_6-31g(d).smash.inp (generated)

000801502.b3lyp_6-31g(d).nwchem.inp (generated) 000801502.b3lyp_6-31g(d).log.xz 000801502.mol 000801502.PUBCHEM 000801502.mol (via Jmol)
000801513.b3lyp_6-31g(d).inp

000801513.b3lyp_6-31g(d).qchem.inp (generated)

000801513.b3lyp_6-31g(d).gjf (generated)

000801513.b3lyp_6-31g(d).firefly.inp (generated)

000801513.b3lyp_6-31g(d).smash.inp (generated)

000801513.b3lyp_6-31g(d).nwchem.inp (generated) 000801513.b3lyp_6-31g(d).log.xz 000801513.td-b3lyp_6-31g+(d).inp 000801513.td-b3lyp_6-31g+(d).log.xz

000801513.td-b3lyp_6-31+g(d).qchem.inp (generated)

000801513.td-b3lyp_6-31+g(d).gjf (generated)

000801513.td-b3lyp_6-31+g(d).firefly.inp (generated)

000801513.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000801513.mol 000801513.PUBCHEM 000801513.mol (via Jmol)
000801516.b3lyp_6-31g(d).inp

000801516.b3lyp_6-31g(d).qchem.inp (generated)

000801516.b3lyp_6-31g(d).gjf (generated)

000801516.b3lyp_6-31g(d).firefly.inp (generated)

000801516.b3lyp_6-31g(d).smash.inp (generated)

000801516.b3lyp_6-31g(d).nwchem.inp (generated) 000801516.b3lyp_6-31g(d).log.xz 000801516.td-b3lyp_6-31g+(d).inp 000801516.td-b3lyp_6-31g+(d).log.xz

000801516.td-b3lyp_6-31+g(d).qchem.inp (generated)

000801516.td-b3lyp_6-31+g(d).gjf (generated)

000801516.td-b3lyp_6-31+g(d).firefly.inp (generated)

000801516.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000801516.mol 000801516.PUBCHEM 000801516.mol (via Jmol)
000801531.b3lyp_6-31g(d).inp

000801531.b3lyp_6-31g(d).qchem.inp (generated)

000801531.b3lyp_6-31g(d).gjf (generated)

000801531.b3lyp_6-31g(d).firefly.inp (generated)

000801531.b3lyp_6-31g(d).smash.inp (generated)

000801531.b3lyp_6-31g(d).nwchem.inp (generated) 000801531.b3lyp_6-31g(d).log.xz 000801531.td-b3lyp_6-31g+(d).inp 000801531.td-b3lyp_6-31g+(d).log.xz

000801531.td-b3lyp_6-31+g(d).qchem.inp (generated)

000801531.td-b3lyp_6-31+g(d).gjf (generated)

000801531.td-b3lyp_6-31+g(d).firefly.inp (generated)

000801531.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000801531.mol 000801531.PUBCHEM 000801531.mol (via Jmol)
000801537.b3lyp_6-31g(d).inp

000801537.b3lyp_6-31g(d).qchem.inp (generated)

000801537.b3lyp_6-31g(d).gjf (generated)

000801537.b3lyp_6-31g(d).firefly.inp (generated)

000801537.b3lyp_6-31g(d).smash.inp (generated)

000801537.b3lyp_6-31g(d).nwchem.inp (generated) 000801537.b3lyp_6-31g(d).log.xz 000801537.mol 000801537.PUBCHEM 000801537.mol (via Jmol)
000801567.b3lyp_6-31g(d).inp

000801567.b3lyp_6-31g(d).qchem.inp (generated)

000801567.b3lyp_6-31g(d).gjf (generated)

000801567.b3lyp_6-31g(d).firefly.inp (generated)

000801567.b3lyp_6-31g(d).smash.inp (generated)

000801567.b3lyp_6-31g(d).nwchem.inp (generated) 000801567.b3lyp_6-31g(d).log.xz 000801567.mol 000801567.PUBCHEM 000801567.mol (via Jmol)
000801585.b3lyp_6-31g(d).inp

000801585.b3lyp_6-31g(d).qchem.inp (generated)

000801585.b3lyp_6-31g(d).gjf (generated)

000801585.b3lyp_6-31g(d).firefly.inp (generated)

000801585.b3lyp_6-31g(d).smash.inp (generated)

000801585.b3lyp_6-31g(d).nwchem.inp (generated) 000801585.b3lyp_6-31g(d).log.xz 000801585.mol 000801585.PUBCHEM 000801585.mol (via Jmol)
000801586.b3lyp_6-31g(d).inp

000801586.b3lyp_6-31g(d).qchem.inp (generated)

000801586.b3lyp_6-31g(d).gjf (generated)

000801586.b3lyp_6-31g(d).firefly.inp (generated)

000801586.b3lyp_6-31g(d).smash.inp (generated)

000801586.b3lyp_6-31g(d).nwchem.inp (generated) 000801586.b3lyp_6-31g(d).log.xz 000801586.mol 000801586.PUBCHEM 000801586.mol (via Jmol)
000801608.b3lyp_6-31g(d).inp

000801608.b3lyp_6-31g(d).qchem.inp (generated)

000801608.b3lyp_6-31g(d).gjf (generated)

000801608.b3lyp_6-31g(d).firefly.inp (generated)

000801608.b3lyp_6-31g(d).smash.inp (generated)

000801608.b3lyp_6-31g(d).nwchem.inp (generated) 000801608.b3lyp_6-31g(d).log.xz 000801608.mol 000801608.PUBCHEM 000801608.mol (via Jmol)
000801621.b3lyp_6-31g(d).inp

000801621.b3lyp_6-31g(d).qchem.inp (generated)

000801621.b3lyp_6-31g(d).gjf (generated)

000801621.b3lyp_6-31g(d).firefly.inp (generated)

000801621.b3lyp_6-31g(d).smash.inp (generated)

000801621.b3lyp_6-31g(d).nwchem.inp (generated) 000801621.b3lyp_6-31g(d).log.xz 000801621.td-b3lyp_6-31g+(d).inp 000801621.td-b3lyp_6-31g+(d).log.xz

000801621.td-b3lyp_6-31+g(d).qchem.inp (generated)

000801621.td-b3lyp_6-31+g(d).gjf (generated)

000801621.td-b3lyp_6-31+g(d).firefly.inp (generated)

000801621.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000801621.mol 000801621.PUBCHEM 000801621.mol (via Jmol)
000801660.b3lyp_6-31g(d).inp

000801660.b3lyp_6-31g(d).qchem.inp (generated)

000801660.b3lyp_6-31g(d).gjf (generated)

000801660.b3lyp_6-31g(d).firefly.inp (generated)

000801660.b3lyp_6-31g(d).smash.inp (generated)

000801660.b3lyp_6-31g(d).nwchem.inp (generated) 000801660.b3lyp_6-31g(d).log.xz 000801660.td-b3lyp_6-31g+(d).inp 000801660.td-b3lyp_6-31g+(d).log.xz

000801660.td-b3lyp_6-31+g(d).qchem.inp (generated)

000801660.td-b3lyp_6-31+g(d).gjf (generated)

000801660.td-b3lyp_6-31+g(d).firefly.inp (generated)

000801660.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000801660.mol 000801660.PUBCHEM 000801660.mol (via Jmol)
000801676.b3lyp_6-31g(d).inp

000801676.b3lyp_6-31g(d).qchem.inp (generated)

000801676.b3lyp_6-31g(d).gjf (generated)

000801676.b3lyp_6-31g(d).firefly.inp (generated)

000801676.b3lyp_6-31g(d).smash.inp (generated)

000801676.b3lyp_6-31g(d).nwchem.inp (generated) 000801676.b3lyp_6-31g(d).log.xz 000801676.td-b3lyp_6-31g+(d).inp 000801676.td-b3lyp_6-31g+(d).log.xz

000801676.td-b3lyp_6-31+g(d).qchem.inp (generated)

000801676.td-b3lyp_6-31+g(d).gjf (generated)

000801676.td-b3lyp_6-31+g(d).firefly.inp (generated)

000801676.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000801676.mol 000801676.PUBCHEM 000801676.mol (via Jmol)
000801695.b3lyp_6-31g(d).inp

000801695.b3lyp_6-31g(d).qchem.inp (generated)

000801695.b3lyp_6-31g(d).gjf (generated)

000801695.b3lyp_6-31g(d).firefly.inp (generated)

000801695.b3lyp_6-31g(d).smash.inp (generated)

000801695.b3lyp_6-31g(d).nwchem.inp (generated) 000801695.b3lyp_6-31g(d).log.xz 000801695.td-b3lyp_6-31g+(d).inp 000801695.td-b3lyp_6-31g+(d).log.xz

000801695.td-b3lyp_6-31+g(d).qchem.inp (generated)

000801695.td-b3lyp_6-31+g(d).gjf (generated)

000801695.td-b3lyp_6-31+g(d).firefly.inp (generated)

000801695.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000801695.mol 000801695.PUBCHEM 000801695.mol (via Jmol)
000801716.b3lyp_6-31g(d).inp

000801716.b3lyp_6-31g(d).qchem.inp (generated)

000801716.b3lyp_6-31g(d).gjf (generated)

000801716.b3lyp_6-31g(d).firefly.inp (generated)

000801716.b3lyp_6-31g(d).smash.inp (generated)

000801716.b3lyp_6-31g(d).nwchem.inp (generated) 000801716.b3lyp_6-31g(d).log.xz 000801716.td-b3lyp_6-31g+(d).inp 000801716.td-b3lyp_6-31g+(d).log.xz

000801716.td-b3lyp_6-31+g(d).qchem.inp (generated)

000801716.td-b3lyp_6-31+g(d).gjf (generated)

000801716.td-b3lyp_6-31+g(d).firefly.inp (generated)

000801716.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000801716.mol 000801716.PUBCHEM 000801716.mol (via Jmol)
000801766.b3lyp_6-31g(d).inp

000801766.b3lyp_6-31g(d).qchem.inp (generated)

000801766.b3lyp_6-31g(d).gjf (generated)

000801766.b3lyp_6-31g(d).firefly.inp (generated)

000801766.b3lyp_6-31g(d).smash.inp (generated)

000801766.b3lyp_6-31g(d).nwchem.inp (generated) 000801766.b3lyp_6-31g(d).log.xz 000801766.td-b3lyp_6-31g+(d).inp 000801766.td-b3lyp_6-31g+(d).log.xz

000801766.td-b3lyp_6-31+g(d).qchem.inp (generated)

000801766.td-b3lyp_6-31+g(d).gjf (generated)

000801766.td-b3lyp_6-31+g(d).firefly.inp (generated)

000801766.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000801766.mol 000801766.PUBCHEM 000801766.mol (via Jmol)
000801767.b3lyp_6-31g(d).inp

000801767.b3lyp_6-31g(d).qchem.inp (generated)

000801767.b3lyp_6-31g(d).gjf (generated)

000801767.b3lyp_6-31g(d).firefly.inp (generated)

000801767.b3lyp_6-31g(d).smash.inp (generated)

000801767.b3lyp_6-31g(d).nwchem.inp (generated) 000801767.b3lyp_6-31g(d).log.xz 000801767.td-b3lyp_6-31g+(d).inp 000801767.td-b3lyp_6-31g+(d).log.xz

000801767.td-b3lyp_6-31+g(d).qchem.inp (generated)

000801767.td-b3lyp_6-31+g(d).gjf (generated)

000801767.td-b3lyp_6-31+g(d).firefly.inp (generated)

000801767.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000801767.mol 000801767.PUBCHEM 000801767.mol (via Jmol)
000801777.b3lyp_6-31g(d).inp

000801777.b3lyp_6-31g(d).qchem.inp (generated)

000801777.b3lyp_6-31g(d).gjf (generated)

000801777.b3lyp_6-31g(d).firefly.inp (generated)

000801777.b3lyp_6-31g(d).smash.inp (generated)

000801777.b3lyp_6-31g(d).nwchem.inp (generated) 000801777.b3lyp_6-31g(d).log.xz 000801777.td-b3lyp_6-31g+(d).inp 000801777.td-b3lyp_6-31g+(d).log.xz

000801777.td-b3lyp_6-31+g(d).qchem.inp (generated)

000801777.td-b3lyp_6-31+g(d).gjf (generated)

000801777.td-b3lyp_6-31+g(d).firefly.inp (generated)

000801777.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000801777.mol 000801777.PUBCHEM 000801777.mol (via Jmol)
000801810.b3lyp_6-31g(d).inp

000801810.b3lyp_6-31g(d).qchem.inp (generated)

000801810.b3lyp_6-31g(d).gjf (generated)

000801810.b3lyp_6-31g(d).firefly.inp (generated)

000801810.b3lyp_6-31g(d).smash.inp (generated)

000801810.b3lyp_6-31g(d).nwchem.inp (generated) 000801810.b3lyp_6-31g(d).log.xz 000801810.td-b3lyp_6-31g+(d).inp 000801810.td-b3lyp_6-31g+(d).log.xz

000801810.td-b3lyp_6-31+g(d).qchem.inp (generated)

000801810.td-b3lyp_6-31+g(d).gjf (generated)

000801810.td-b3lyp_6-31+g(d).firefly.inp (generated)

000801810.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000801810.mol 000801810.PUBCHEM 000801810.mol (via Jmol)
000801821.b3lyp_6-31g(d).inp

000801821.b3lyp_6-31g(d).qchem.inp (generated)

000801821.b3lyp_6-31g(d).gjf (generated)

000801821.b3lyp_6-31g(d).firefly.inp (generated)

000801821.b3lyp_6-31g(d).smash.inp (generated)

000801821.b3lyp_6-31g(d).nwchem.inp (generated) 000801821.b3lyp_6-31g(d).log.xz 000801821.td-b3lyp_6-31g+(d).inp 000801821.td-b3lyp_6-31g+(d).log.xz

000801821.td-b3lyp_6-31+g(d).qchem.inp (generated)

000801821.td-b3lyp_6-31+g(d).gjf (generated)

000801821.td-b3lyp_6-31+g(d).firefly.inp (generated)

000801821.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000801821.mol 000801821.PUBCHEM 000801821.mol (via Jmol)
000801845.b3lyp_6-31g(d).inp

000801845.b3lyp_6-31g(d).qchem.inp (generated)

000801845.b3lyp_6-31g(d).gjf (generated)

000801845.b3lyp_6-31g(d).firefly.inp (generated)

000801845.b3lyp_6-31g(d).smash.inp (generated)

000801845.b3lyp_6-31g(d).nwchem.inp (generated) 000801845.b3lyp_6-31g(d).log.xz 000801845.mol 000801845.PUBCHEM 000801845.mol (via Jmol)
000801856.b3lyp_6-31g(d).inp

000801856.b3lyp_6-31g(d).qchem.inp (generated)

000801856.b3lyp_6-31g(d).gjf (generated)

000801856.b3lyp_6-31g(d).firefly.inp (generated)

000801856.b3lyp_6-31g(d).smash.inp (generated)

000801856.b3lyp_6-31g(d).nwchem.inp (generated) 000801856.b3lyp_6-31g(d).log.xz 000801856.mol 000801856.PUBCHEM 000801856.mol (via Jmol)
000801897.b3lyp_6-31g(d).inp

000801897.b3lyp_6-31g(d).qchem.inp (generated)

000801897.b3lyp_6-31g(d).gjf (generated)

000801897.b3lyp_6-31g(d).firefly.inp (generated)

000801897.b3lyp_6-31g(d).smash.inp (generated)

000801897.b3lyp_6-31g(d).nwchem.inp (generated) 000801897.b3lyp_6-31g(d).log.xz 000801897.mol 000801897.PUBCHEM 000801897.mol (via Jmol)
000801898.b3lyp_6-31g(d).inp

000801898.b3lyp_6-31g(d).qchem.inp (generated)

000801898.b3lyp_6-31g(d).gjf (generated)

000801898.b3lyp_6-31g(d).firefly.inp (generated)

000801898.b3lyp_6-31g(d).smash.inp (generated)

000801898.b3lyp_6-31g(d).nwchem.inp (generated) 000801898.b3lyp_6-31g(d).log.xz 000801898.mol 000801898.PUBCHEM 000801898.mol (via Jmol)
000801933.b3lyp_6-31g(d).inp

000801933.b3lyp_6-31g(d).qchem.inp (generated)

000801933.b3lyp_6-31g(d).gjf (generated)

000801933.b3lyp_6-31g(d).firefly.inp (generated)

000801933.b3lyp_6-31g(d).smash.inp (generated)

000801933.b3lyp_6-31g(d).nwchem.inp (generated) 000801933.b3lyp_6-31g(d).log.xz 000801933.td-b3lyp_6-31g+(d).inp 000801933.td-b3lyp_6-31g+(d).log.xz

000801933.td-b3lyp_6-31+g(d).qchem.inp (generated)

000801933.td-b3lyp_6-31+g(d).gjf (generated)

000801933.td-b3lyp_6-31+g(d).firefly.inp (generated)

000801933.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000801933.mol 000801933.PUBCHEM 000801933.mol (via Jmol)
000802024.b3lyp_6-31g(d).inp

000802024.b3lyp_6-31g(d).qchem.inp (generated)

000802024.b3lyp_6-31g(d).gjf (generated)

000802024.b3lyp_6-31g(d).firefly.inp (generated)

000802024.b3lyp_6-31g(d).smash.inp (generated)

000802024.b3lyp_6-31g(d).nwchem.inp (generated) 000802024.b3lyp_6-31g(d).log.xz 000802024.td-b3lyp_6-31g+(d).inp 000802024.td-b3lyp_6-31g+(d).log.xz

000802024.td-b3lyp_6-31+g(d).qchem.inp (generated)

000802024.td-b3lyp_6-31+g(d).gjf (generated)

000802024.td-b3lyp_6-31+g(d).firefly.inp (generated)

000802024.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000802024.mol 000802024.PUBCHEM 000802024.mol (via Jmol)
000802095.b3lyp_6-31g(d).inp

000802095.b3lyp_6-31g(d).qchem.inp (generated)

000802095.b3lyp_6-31g(d).gjf (generated)

000802095.b3lyp_6-31g(d).firefly.inp (generated)

000802095.b3lyp_6-31g(d).smash.inp (generated)

000802095.b3lyp_6-31g(d).nwchem.inp (generated) 000802095.b3lyp_6-31g(d).log.xz 000802095.td-b3lyp_6-31g+(d).inp 000802095.td-b3lyp_6-31g+(d).log.xz

000802095.td-b3lyp_6-31+g(d).qchem.inp (generated)

000802095.td-b3lyp_6-31+g(d).gjf (generated)

000802095.td-b3lyp_6-31+g(d).firefly.inp (generated)

000802095.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000802095.mol 000802095.PUBCHEM 000802095.mol (via Jmol)
000802111.b3lyp_6-31g(d).inp

000802111.b3lyp_6-31g(d).qchem.inp (generated)

000802111.b3lyp_6-31g(d).gjf (generated)

000802111.b3lyp_6-31g(d).firefly.inp (generated)

000802111.b3lyp_6-31g(d).smash.inp (generated)

000802111.b3lyp_6-31g(d).nwchem.inp (generated) 000802111.b3lyp_6-31g(d).log.xz 000802111.td-b3lyp_6-31g+(d).inp 000802111.td-b3lyp_6-31g+(d).log.xz

000802111.td-b3lyp_6-31+g(d).qchem.inp (generated)

000802111.td-b3lyp_6-31+g(d).gjf (generated)

000802111.td-b3lyp_6-31+g(d).firefly.inp (generated)

000802111.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000802111.mol 000802111.PUBCHEM 000802111.mol (via Jmol)
000802112.b3lyp_6-31g(d).inp

000802112.b3lyp_6-31g(d).qchem.inp (generated)

000802112.b3lyp_6-31g(d).gjf (generated)

000802112.b3lyp_6-31g(d).firefly.inp (generated)

000802112.b3lyp_6-31g(d).smash.inp (generated)

000802112.b3lyp_6-31g(d).nwchem.inp (generated) 000802112.b3lyp_6-31g(d).log.xz 000802112.td-b3lyp_6-31g+(d).inp 000802112.td-b3lyp_6-31g+(d).log.xz

000802112.td-b3lyp_6-31+g(d).qchem.inp (generated)

000802112.td-b3lyp_6-31+g(d).gjf (generated)

000802112.td-b3lyp_6-31+g(d).firefly.inp (generated)

000802112.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000802112.mol 000802112.PUBCHEM 000802112.mol (via Jmol)
000802115.b3lyp_6-31g(d).inp

000802115.b3lyp_6-31g(d).qchem.inp (generated)

000802115.b3lyp_6-31g(d).gjf (generated)

000802115.b3lyp_6-31g(d).firefly.inp (generated)

000802115.b3lyp_6-31g(d).smash.inp (generated)

000802115.b3lyp_6-31g(d).nwchem.inp (generated) 000802115.b3lyp_6-31g(d).log.xz 000802115.td-b3lyp_6-31g+(d).inp 000802115.td-b3lyp_6-31g+(d).log.xz

000802115.td-b3lyp_6-31+g(d).qchem.inp (generated)

000802115.td-b3lyp_6-31+g(d).gjf (generated)

000802115.td-b3lyp_6-31+g(d).firefly.inp (generated)

000802115.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000802115.mol 000802115.PUBCHEM 000802115.mol (via Jmol)
000802116.b3lyp_6-31g(d).inp

000802116.b3lyp_6-31g(d).qchem.inp (generated)

000802116.b3lyp_6-31g(d).gjf (generated)

000802116.b3lyp_6-31g(d).firefly.inp (generated)

000802116.b3lyp_6-31g(d).smash.inp (generated)

000802116.b3lyp_6-31g(d).nwchem.inp (generated) 000802116.b3lyp_6-31g(d).log.xz 000802116.td-b3lyp_6-31g+(d).inp 000802116.td-b3lyp_6-31g+(d).log.xz

000802116.td-b3lyp_6-31+g(d).qchem.inp (generated)

000802116.td-b3lyp_6-31+g(d).gjf (generated)

000802116.td-b3lyp_6-31+g(d).firefly.inp (generated)

000802116.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000802116.mol 000802116.PUBCHEM 000802116.mol (via Jmol)
000802118.b3lyp_6-31g(d).inp

000802118.b3lyp_6-31g(d).qchem.inp (generated)

000802118.b3lyp_6-31g(d).gjf (generated)

000802118.b3lyp_6-31g(d).firefly.inp (generated)

000802118.b3lyp_6-31g(d).smash.inp (generated)

000802118.b3lyp_6-31g(d).nwchem.inp (generated) 000802118.b3lyp_6-31g(d).log.xz 000802118.td-b3lyp_6-31g+(d).inp 000802118.td-b3lyp_6-31g+(d).log.xz

000802118.td-b3lyp_6-31+g(d).qchem.inp (generated)

000802118.td-b3lyp_6-31+g(d).gjf (generated)

000802118.td-b3lyp_6-31+g(d).firefly.inp (generated)

000802118.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000802118.mol 000802118.PUBCHEM 000802118.mol (via Jmol)
000802121.b3lyp_6-31g(d).inp

000802121.b3lyp_6-31g(d).qchem.inp (generated)

000802121.b3lyp_6-31g(d).gjf (generated)

000802121.b3lyp_6-31g(d).firefly.inp (generated)

000802121.b3lyp_6-31g(d).smash.inp (generated)

000802121.b3lyp_6-31g(d).nwchem.inp (generated) 000802121.b3lyp_6-31g(d).log.xz 000802121.td-b3lyp_6-31g+(d).inp 000802121.td-b3lyp_6-31g+(d).log.xz

000802121.td-b3lyp_6-31+g(d).qchem.inp (generated)

000802121.td-b3lyp_6-31+g(d).gjf (generated)

000802121.td-b3lyp_6-31+g(d).firefly.inp (generated)

000802121.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000802121.mol 000802121.PUBCHEM 000802121.mol (via Jmol)
000802123.b3lyp_6-31g(d).inp

000802123.b3lyp_6-31g(d).qchem.inp (generated)

000802123.b3lyp_6-31g(d).gjf (generated)

000802123.b3lyp_6-31g(d).firefly.inp (generated)

000802123.b3lyp_6-31g(d).smash.inp (generated)

000802123.b3lyp_6-31g(d).nwchem.inp (generated) 000802123.b3lyp_6-31g(d).log.xz 000802123.td-b3lyp_6-31g+(d).inp 000802123.td-b3lyp_6-31g+(d).log.xz

000802123.td-b3lyp_6-31+g(d).qchem.inp (generated)

000802123.td-b3lyp_6-31+g(d).gjf (generated)

000802123.td-b3lyp_6-31+g(d).firefly.inp (generated)

000802123.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000802123.mol 000802123.PUBCHEM 000802123.mol (via Jmol)
000802148.b3lyp_6-31g(d).inp

000802148.b3lyp_6-31g(d).qchem.inp (generated)

000802148.b3lyp_6-31g(d).gjf (generated)

000802148.b3lyp_6-31g(d).firefly.inp (generated)

000802148.b3lyp_6-31g(d).smash.inp (generated)

000802148.b3lyp_6-31g(d).nwchem.inp (generated) 000802148.b3lyp_6-31g(d).log.xz 000802148.td-b3lyp_6-31g+(d).inp 000802148.td-b3lyp_6-31g+(d).log.xz

000802148.td-b3lyp_6-31+g(d).qchem.inp (generated)

000802148.td-b3lyp_6-31+g(d).gjf (generated)

000802148.td-b3lyp_6-31+g(d).firefly.inp (generated)

000802148.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000802148.mol 000802148.PUBCHEM 000802148.mol (via Jmol)
000802192.b3lyp_6-31g(d).inp

000802192.b3lyp_6-31g(d).qchem.inp (generated)

000802192.b3lyp_6-31g(d).gjf (generated)

000802192.b3lyp_6-31g(d).firefly.inp (generated)

000802192.b3lyp_6-31g(d).smash.inp (generated)

000802192.b3lyp_6-31g(d).nwchem.inp (generated) 000802192.b3lyp_6-31g(d).log.xz 000802192.mol 000802192.PUBCHEM 000802192.mol (via Jmol)
000802219.b3lyp_6-31g(d).inp

000802219.b3lyp_6-31g(d).qchem.inp (generated)

000802219.b3lyp_6-31g(d).gjf (generated)

000802219.b3lyp_6-31g(d).firefly.inp (generated)

000802219.b3lyp_6-31g(d).smash.inp (generated)

000802219.b3lyp_6-31g(d).nwchem.inp (generated) 000802219.b3lyp_6-31g(d).log.xz 000802219.td-b3lyp_6-31g+(d).inp 000802219.td-b3lyp_6-31g+(d).log.xz

000802219.td-b3lyp_6-31+g(d).qchem.inp (generated)

000802219.td-b3lyp_6-31+g(d).gjf (generated)

000802219.td-b3lyp_6-31+g(d).firefly.inp (generated)

000802219.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000802219.mol 000802219.PUBCHEM 000802219.mol (via Jmol)
000802221.b3lyp_6-31g(d).inp

000802221.b3lyp_6-31g(d).qchem.inp (generated)

000802221.b3lyp_6-31g(d).gjf (generated)

000802221.b3lyp_6-31g(d).firefly.inp (generated)

000802221.b3lyp_6-31g(d).smash.inp (generated)

000802221.b3lyp_6-31g(d).nwchem.inp (generated) 000802221.b3lyp_6-31g(d).log.xz 000802221.td-b3lyp_6-31g+(d).inp 000802221.td-b3lyp_6-31g+(d).log.xz

000802221.td-b3lyp_6-31+g(d).qchem.inp (generated)

000802221.td-b3lyp_6-31+g(d).gjf (generated)

000802221.td-b3lyp_6-31+g(d).firefly.inp (generated)

000802221.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000802221.mol 000802221.PUBCHEM 000802221.mol (via Jmol)
000802222.b3lyp_6-31g(d).inp

000802222.b3lyp_6-31g(d).qchem.inp (generated)

000802222.b3lyp_6-31g(d).gjf (generated)

000802222.b3lyp_6-31g(d).firefly.inp (generated)

000802222.b3lyp_6-31g(d).smash.inp (generated)

000802222.b3lyp_6-31g(d).nwchem.inp (generated) 000802222.b3lyp_6-31g(d).log.xz 000802222.td-b3lyp_6-31g+(d).inp 000802222.td-b3lyp_6-31g+(d).log.xz

000802222.td-b3lyp_6-31+g(d).qchem.inp (generated)

000802222.td-b3lyp_6-31+g(d).gjf (generated)

000802222.td-b3lyp_6-31+g(d).firefly.inp (generated)

000802222.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000802222.mol 000802222.PUBCHEM 000802222.mol (via Jmol)
000802251.b3lyp_6-31g(d).inp

000802251.b3lyp_6-31g(d).qchem.inp (generated)

000802251.b3lyp_6-31g(d).gjf (generated)

000802251.b3lyp_6-31g(d).firefly.inp (generated)

000802251.b3lyp_6-31g(d).smash.inp (generated)

000802251.b3lyp_6-31g(d).nwchem.inp (generated) 000802251.b3lyp_6-31g(d).log.xz 000802251.td-b3lyp_6-31g+(d).inp 000802251.td-b3lyp_6-31g+(d).log.xz

000802251.td-b3lyp_6-31+g(d).qchem.inp (generated)

000802251.td-b3lyp_6-31+g(d).gjf (generated)

000802251.td-b3lyp_6-31+g(d).firefly.inp (generated)

000802251.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000802251.mol 000802251.PUBCHEM 000802251.mol (via Jmol)
000802256.b3lyp_6-31g(d).inp

000802256.b3lyp_6-31g(d).qchem.inp (generated)

000802256.b3lyp_6-31g(d).gjf (generated)

000802256.b3lyp_6-31g(d).firefly.inp (generated)

000802256.b3lyp_6-31g(d).smash.inp (generated)

000802256.b3lyp_6-31g(d).nwchem.inp (generated) 000802256.b3lyp_6-31g(d).log.xz 000802256.td-b3lyp_6-31g+(d).inp 000802256.td-b3lyp_6-31g+(d).log.xz

000802256.td-b3lyp_6-31+g(d).qchem.inp (generated)

000802256.td-b3lyp_6-31+g(d).gjf (generated)

000802256.td-b3lyp_6-31+g(d).firefly.inp (generated)

000802256.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000802256.mol 000802256.PUBCHEM 000802256.mol (via Jmol)
000802276.b3lyp_6-31g(d).inp

000802276.b3lyp_6-31g(d).qchem.inp (generated)

000802276.b3lyp_6-31g(d).gjf (generated)

000802276.b3lyp_6-31g(d).firefly.inp (generated)

000802276.b3lyp_6-31g(d).smash.inp (generated)

000802276.b3lyp_6-31g(d).nwchem.inp (generated) 000802276.b3lyp_6-31g(d).log.xz 000802276.td-b3lyp_6-31g+(d).inp 000802276.td-b3lyp_6-31g+(d).log.xz

000802276.td-b3lyp_6-31+g(d).qchem.inp (generated)

000802276.td-b3lyp_6-31+g(d).gjf (generated)

000802276.td-b3lyp_6-31+g(d).firefly.inp (generated)

000802276.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000802276.mol 000802276.PUBCHEM 000802276.mol (via Jmol)
000802300.b3lyp_6-31g(d).inp

000802300.b3lyp_6-31g(d).qchem.inp (generated)

000802300.b3lyp_6-31g(d).gjf (generated)

000802300.b3lyp_6-31g(d).firefly.inp (generated)

000802300.b3lyp_6-31g(d).smash.inp (generated)

000802300.b3lyp_6-31g(d).nwchem.inp (generated) 000802300.b3lyp_6-31g(d).log.xz 000802300.td-b3lyp_6-31g+(d).inp 000802300.td-b3lyp_6-31g+(d).log.xz

000802300.td-b3lyp_6-31+g(d).qchem.inp (generated)

000802300.td-b3lyp_6-31+g(d).gjf (generated)

000802300.td-b3lyp_6-31+g(d).firefly.inp (generated)

000802300.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000802300.mol 000802300.PUBCHEM 000802300.mol (via Jmol)
000802338.b3lyp_6-31g(d).inp

000802338.b3lyp_6-31g(d).qchem.inp (generated)

000802338.b3lyp_6-31g(d).gjf (generated)

000802338.b3lyp_6-31g(d).firefly.inp (generated)

000802338.b3lyp_6-31g(d).smash.inp (generated)

000802338.b3lyp_6-31g(d).nwchem.inp (generated) 000802338.b3lyp_6-31g(d).log.xz 000802338.mol 000802338.PUBCHEM 000802338.mol (via Jmol)
000802339.b3lyp_6-31g(d).inp

000802339.b3lyp_6-31g(d).qchem.inp (generated)

000802339.b3lyp_6-31g(d).gjf (generated)

000802339.b3lyp_6-31g(d).firefly.inp (generated)

000802339.b3lyp_6-31g(d).smash.inp (generated)

000802339.b3lyp_6-31g(d).nwchem.inp (generated) 000802339.b3lyp_6-31g(d).log.xz 000802339.mol 000802339.PUBCHEM 000802339.mol (via Jmol)
000802379.b3lyp_6-31g(d).inp

000802379.b3lyp_6-31g(d).qchem.inp (generated)

000802379.b3lyp_6-31g(d).gjf (generated)

000802379.b3lyp_6-31g(d).firefly.inp (generated)

000802379.b3lyp_6-31g(d).smash.inp (generated)

000802379.b3lyp_6-31g(d).nwchem.inp (generated) 000802379.b3lyp_6-31g(d).log.xz 000802379.td-b3lyp_6-31g+(d).inp 000802379.td-b3lyp_6-31g+(d).log.xz

000802379.td-b3lyp_6-31+g(d).qchem.inp (generated)

000802379.td-b3lyp_6-31+g(d).gjf (generated)

000802379.td-b3lyp_6-31+g(d).firefly.inp (generated)

000802379.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000802379.mol 000802379.PUBCHEM 000802379.mol (via Jmol)
000802382.b3lyp_6-31g(d).inp

000802382.b3lyp_6-31g(d).qchem.inp (generated)

000802382.b3lyp_6-31g(d).gjf (generated)

000802382.b3lyp_6-31g(d).firefly.inp (generated)

000802382.b3lyp_6-31g(d).smash.inp (generated)

000802382.b3lyp_6-31g(d).nwchem.inp (generated) 000802382.b3lyp_6-31g(d).log.xz 000802382.td-b3lyp_6-31g+(d).inp 000802382.td-b3lyp_6-31g+(d).log.xz

000802382.td-b3lyp_6-31+g(d).qchem.inp (generated)

000802382.td-b3lyp_6-31+g(d).gjf (generated)

000802382.td-b3lyp_6-31+g(d).firefly.inp (generated)

000802382.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000802382.mol 000802382.PUBCHEM 000802382.mol (via Jmol)
000802384.b3lyp_6-31g(d).inp

000802384.b3lyp_6-31g(d).qchem.inp (generated)

000802384.b3lyp_6-31g(d).gjf (generated)

000802384.b3lyp_6-31g(d).firefly.inp (generated)

000802384.b3lyp_6-31g(d).smash.inp (generated)

000802384.b3lyp_6-31g(d).nwchem.inp (generated) 000802384.b3lyp_6-31g(d).log.xz 000802384.td-b3lyp_6-31g+(d).inp 000802384.td-b3lyp_6-31g+(d).log.xz

000802384.td-b3lyp_6-31+g(d).qchem.inp (generated)

000802384.td-b3lyp_6-31+g(d).gjf (generated)

000802384.td-b3lyp_6-31+g(d).firefly.inp (generated)

000802384.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000802384.mol 000802384.PUBCHEM 000802384.mol (via Jmol)
000802396.b3lyp_6-31g(d).inp

000802396.b3lyp_6-31g(d).qchem.inp (generated)

000802396.b3lyp_6-31g(d).gjf (generated)

000802396.b3lyp_6-31g(d).firefly.inp (generated)

000802396.b3lyp_6-31g(d).smash.inp (generated)

000802396.b3lyp_6-31g(d).nwchem.inp (generated) 000802396.b3lyp_6-31g(d).log.xz 000802396.td-b3lyp_6-31g+(d).inp 000802396.td-b3lyp_6-31g+(d).log.xz

000802396.td-b3lyp_6-31+g(d).qchem.inp (generated)

000802396.td-b3lyp_6-31+g(d).gjf (generated)

000802396.td-b3lyp_6-31+g(d).firefly.inp (generated)

000802396.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000802396.mol 000802396.PUBCHEM 000802396.mol (via Jmol)
000802463.b3lyp_6-31g(d).inp

000802463.b3lyp_6-31g(d).qchem.inp (generated)

000802463.b3lyp_6-31g(d).gjf (generated)

000802463.b3lyp_6-31g(d).firefly.inp (generated)

000802463.b3lyp_6-31g(d).smash.inp (generated)

000802463.b3lyp_6-31g(d).nwchem.inp (generated) 000802463.b3lyp_6-31g(d).log.xz 000802463.td-b3lyp_6-31g+(d).inp 000802463.td-b3lyp_6-31g+(d).log.xz

000802463.td-b3lyp_6-31+g(d).qchem.inp (generated)

000802463.td-b3lyp_6-31+g(d).gjf (generated)

000802463.td-b3lyp_6-31+g(d).firefly.inp (generated)

000802463.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000802463.mol 000802463.PUBCHEM 000802463.mol (via Jmol)
000802486.b3lyp_6-31g(d).inp

000802486.b3lyp_6-31g(d).qchem.inp (generated)

000802486.b3lyp_6-31g(d).gjf (generated)

000802486.b3lyp_6-31g(d).firefly.inp (generated)

000802486.b3lyp_6-31g(d).smash.inp (generated)

000802486.b3lyp_6-31g(d).nwchem.inp (generated) 000802486.b3lyp_6-31g(d).log.xz 000802486.td-b3lyp_6-31g+(d).inp 000802486.td-b3lyp_6-31g+(d).log.xz

000802486.td-b3lyp_6-31+g(d).qchem.inp (generated)

000802486.td-b3lyp_6-31+g(d).gjf (generated)

000802486.td-b3lyp_6-31+g(d).firefly.inp (generated)

000802486.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000802486.mol 000802486.PUBCHEM 000802486.mol (via Jmol)
000802504.b3lyp_6-31g(d).inp

000802504.b3lyp_6-31g(d).qchem.inp (generated)

000802504.b3lyp_6-31g(d).gjf (generated)

000802504.b3lyp_6-31g(d).firefly.inp (generated)

000802504.b3lyp_6-31g(d).smash.inp (generated)

000802504.b3lyp_6-31g(d).nwchem.inp (generated) 000802504.b3lyp_6-31g(d).log.xz 000802504.mol 000802504.PUBCHEM 000802504.mol (via Jmol)
000802511.b3lyp_6-31g(d).inp

000802511.b3lyp_6-31g(d).qchem.inp (generated)

000802511.b3lyp_6-31g(d).gjf (generated)

000802511.b3lyp_6-31g(d).firefly.inp (generated)

000802511.b3lyp_6-31g(d).smash.inp (generated)

000802511.b3lyp_6-31g(d).nwchem.inp (generated) 000802511.b3lyp_6-31g(d).log.xz 000802511.mol 000802511.PUBCHEM 000802511.mol (via Jmol)
000802538.b3lyp_6-31g(d).inp

000802538.b3lyp_6-31g(d).qchem.inp (generated)

000802538.b3lyp_6-31g(d).gjf (generated)

000802538.b3lyp_6-31g(d).firefly.inp (generated)

000802538.b3lyp_6-31g(d).smash.inp (generated)

000802538.b3lyp_6-31g(d).nwchem.inp (generated) 000802538.b3lyp_6-31g(d).log.xz 000802538.td-b3lyp_6-31g+(d).inp 000802538.td-b3lyp_6-31g+(d).log.xz

000802538.td-b3lyp_6-31+g(d).qchem.inp (generated)

000802538.td-b3lyp_6-31+g(d).gjf (generated)

000802538.td-b3lyp_6-31+g(d).firefly.inp (generated)

000802538.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000802538.mol 000802538.PUBCHEM 000802538.mol (via Jmol)
000802539.b3lyp_6-31g(d).inp

000802539.b3lyp_6-31g(d).qchem.inp (generated)

000802539.b3lyp_6-31g(d).gjf (generated)

000802539.b3lyp_6-31g(d).firefly.inp (generated)

000802539.b3lyp_6-31g(d).smash.inp (generated)

000802539.b3lyp_6-31g(d).nwchem.inp (generated) 000802539.b3lyp_6-31g(d).log.xz 000802539.td-b3lyp_6-31g+(d).inp 000802539.td-b3lyp_6-31g+(d).log.xz

000802539.td-b3lyp_6-31+g(d).qchem.inp (generated)

000802539.td-b3lyp_6-31+g(d).gjf (generated)

000802539.td-b3lyp_6-31+g(d).firefly.inp (generated)

000802539.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000802539.mol 000802539.PUBCHEM 000802539.mol (via Jmol)
000802543.b3lyp_6-31g(d).inp

000802543.b3lyp_6-31g(d).qchem.inp (generated)

000802543.b3lyp_6-31g(d).gjf (generated)

000802543.b3lyp_6-31g(d).firefly.inp (generated)

000802543.b3lyp_6-31g(d).smash.inp (generated)

000802543.b3lyp_6-31g(d).nwchem.inp (generated) 000802543.b3lyp_6-31g(d).log.xz 000802543.td-b3lyp_6-31g+(d).inp 000802543.td-b3lyp_6-31g+(d).log.xz

000802543.td-b3lyp_6-31+g(d).qchem.inp (generated)

000802543.td-b3lyp_6-31+g(d).gjf (generated)

000802543.td-b3lyp_6-31+g(d).firefly.inp (generated)

000802543.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000802543.mol 000802543.PUBCHEM 000802543.mol (via Jmol)
000802547.b3lyp_6-31g(d).inp

000802547.b3lyp_6-31g(d).qchem.inp (generated)

000802547.b3lyp_6-31g(d).gjf (generated)

000802547.b3lyp_6-31g(d).firefly.inp (generated)

000802547.b3lyp_6-31g(d).smash.inp (generated)

000802547.b3lyp_6-31g(d).nwchem.inp (generated) 000802547.b3lyp_6-31g(d).log.xz 000802547.td-b3lyp_6-31g+(d).inp 000802547.td-b3lyp_6-31g+(d).log.xz

000802547.td-b3lyp_6-31+g(d).qchem.inp (generated)

000802547.td-b3lyp_6-31+g(d).gjf (generated)

000802547.td-b3lyp_6-31+g(d).firefly.inp (generated)

000802547.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000802547.mol 000802547.PUBCHEM 000802547.mol (via Jmol)
000802571.b3lyp_6-31g(d).inp

000802571.b3lyp_6-31g(d).qchem.inp (generated)

000802571.b3lyp_6-31g(d).gjf (generated)

000802571.b3lyp_6-31g(d).firefly.inp (generated)

000802571.b3lyp_6-31g(d).smash.inp (generated)

000802571.b3lyp_6-31g(d).nwchem.inp (generated) 000802571.b3lyp_6-31g(d).log.xz 000802571.td-b3lyp_6-31g+(d).inp 000802571.td-b3lyp_6-31g+(d).log.xz

000802571.td-b3lyp_6-31+g(d).qchem.inp (generated)

000802571.td-b3lyp_6-31+g(d).gjf (generated)

000802571.td-b3lyp_6-31+g(d).firefly.inp (generated)

000802571.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000802571.mol 000802571.PUBCHEM 000802571.mol (via Jmol)
000802576.b3lyp_6-31g(d).inp

000802576.b3lyp_6-31g(d).qchem.inp (generated)

000802576.b3lyp_6-31g(d).gjf (generated)

000802576.b3lyp_6-31g(d).firefly.inp (generated)

000802576.b3lyp_6-31g(d).smash.inp (generated)

000802576.b3lyp_6-31g(d).nwchem.inp (generated) 000802576.b3lyp_6-31g(d).log.xz 000802576.td-b3lyp_6-31g+(d).inp 000802576.td-b3lyp_6-31g+(d).log.xz

000802576.td-b3lyp_6-31+g(d).qchem.inp (generated)

000802576.td-b3lyp_6-31+g(d).gjf (generated)

000802576.td-b3lyp_6-31+g(d).firefly.inp (generated)

000802576.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000802576.mol 000802576.PUBCHEM 000802576.mol (via Jmol)
000802613.b3lyp_6-31g(d).inp

000802613.b3lyp_6-31g(d).qchem.inp (generated)

000802613.b3lyp_6-31g(d).gjf (generated)

000802613.b3lyp_6-31g(d).firefly.inp (generated)

000802613.b3lyp_6-31g(d).smash.inp (generated)

000802613.b3lyp_6-31g(d).nwchem.inp (generated) 000802613.b3lyp_6-31g(d).log.xz 000802613.td-b3lyp_6-31g+(d).inp 000802613.td-b3lyp_6-31g+(d).log.xz

000802613.td-b3lyp_6-31+g(d).qchem.inp (generated)

000802613.td-b3lyp_6-31+g(d).gjf (generated)

000802613.td-b3lyp_6-31+g(d).firefly.inp (generated)

000802613.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000802613.mol 000802613.PUBCHEM 000802613.mol (via Jmol)
000802725.b3lyp_6-31g(d).inp

000802725.b3lyp_6-31g(d).qchem.inp (generated)

000802725.b3lyp_6-31g(d).gjf (generated)

000802725.b3lyp_6-31g(d).firefly.inp (generated)

000802725.b3lyp_6-31g(d).smash.inp (generated)

000802725.b3lyp_6-31g(d).nwchem.inp (generated) 000802725.b3lyp_6-31g(d).log.xz 000802725.td-b3lyp_6-31g+(d).inp 000802725.td-b3lyp_6-31g+(d).log.xz

000802725.td-b3lyp_6-31+g(d).qchem.inp (generated)

000802725.td-b3lyp_6-31+g(d).gjf (generated)

000802725.td-b3lyp_6-31+g(d).firefly.inp (generated)

000802725.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000802725.mol 000802725.PUBCHEM 000802725.mol (via Jmol)
000802727.b3lyp_6-31g(d).inp

000802727.b3lyp_6-31g(d).qchem.inp (generated)

000802727.b3lyp_6-31g(d).gjf (generated)

000802727.b3lyp_6-31g(d).firefly.inp (generated)

000802727.b3lyp_6-31g(d).smash.inp (generated)

000802727.b3lyp_6-31g(d).nwchem.inp (generated) 000802727.b3lyp_6-31g(d).log.xz 000802727.td-b3lyp_6-31g+(d).inp 000802727.td-b3lyp_6-31g+(d).log.xz

000802727.td-b3lyp_6-31+g(d).qchem.inp (generated)

000802727.td-b3lyp_6-31+g(d).gjf (generated)

000802727.td-b3lyp_6-31+g(d).firefly.inp (generated)

000802727.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000802727.mol 000802727.PUBCHEM 000802727.mol (via Jmol)
000802742.b3lyp_6-31g(d).inp

000802742.b3lyp_6-31g(d).qchem.inp (generated)

000802742.b3lyp_6-31g(d).gjf (generated)

000802742.b3lyp_6-31g(d).firefly.inp (generated)

000802742.b3lyp_6-31g(d).smash.inp (generated)

000802742.b3lyp_6-31g(d).nwchem.inp (generated) 000802742.b3lyp_6-31g(d).log.xz 000802742.mol 000802742.PUBCHEM 000802742.mol (via Jmol)
000802755.b3lyp_6-31g(d).inp

000802755.b3lyp_6-31g(d).qchem.inp (generated)

000802755.b3lyp_6-31g(d).gjf (generated)

000802755.b3lyp_6-31g(d).firefly.inp (generated)

000802755.b3lyp_6-31g(d).smash.inp (generated)

000802755.b3lyp_6-31g(d).nwchem.inp (generated) 000802755.b3lyp_6-31g(d).log.xz 000802755.td-b3lyp_6-31g+(d).inp 000802755.td-b3lyp_6-31g+(d).log.xz

000802755.td-b3lyp_6-31+g(d).qchem.inp (generated)

000802755.td-b3lyp_6-31+g(d).gjf (generated)

000802755.td-b3lyp_6-31+g(d).firefly.inp (generated)

000802755.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000802755.mol 000802755.PUBCHEM 000802755.mol (via Jmol)
000802791.b3lyp_6-31g(d).inp

000802791.b3lyp_6-31g(d).qchem.inp (generated)

000802791.b3lyp_6-31g(d).gjf (generated)

000802791.b3lyp_6-31g(d).firefly.inp (generated)

000802791.b3lyp_6-31g(d).smash.inp (generated)

000802791.b3lyp_6-31g(d).nwchem.inp (generated) 000802791.b3lyp_6-31g(d).log.xz 000802791.td-b3lyp_6-31g+(d).inp 000802791.td-b3lyp_6-31g+(d).log.xz

000802791.td-b3lyp_6-31+g(d).qchem.inp (generated)

000802791.td-b3lyp_6-31+g(d).gjf (generated)

000802791.td-b3lyp_6-31+g(d).firefly.inp (generated)

000802791.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000802791.mol 000802791.PUBCHEM 000802791.mol (via Jmol)
000802805.b3lyp_6-31g(d).inp

000802805.b3lyp_6-31g(d).qchem.inp (generated)

000802805.b3lyp_6-31g(d).gjf (generated)

000802805.b3lyp_6-31g(d).firefly.inp (generated)

000802805.b3lyp_6-31g(d).smash.inp (generated)

000802805.b3lyp_6-31g(d).nwchem.inp (generated) 000802805.b3lyp_6-31g(d).log.xz 000802805.mol 000802805.PUBCHEM 000802805.mol (via Jmol)
000802822.b3lyp_6-31g(d).inp

000802822.b3lyp_6-31g(d).qchem.inp (generated)

000802822.b3lyp_6-31g(d).gjf (generated)

000802822.b3lyp_6-31g(d).firefly.inp (generated)

000802822.b3lyp_6-31g(d).smash.inp (generated)

000802822.b3lyp_6-31g(d).nwchem.inp (generated) 000802822.b3lyp_6-31g(d).log.xz 000802822.td-b3lyp_6-31g+(d).inp 000802822.td-b3lyp_6-31g+(d).log.xz

000802822.td-b3lyp_6-31+g(d).qchem.inp (generated)

000802822.td-b3lyp_6-31+g(d).gjf (generated)

000802822.td-b3lyp_6-31+g(d).firefly.inp (generated)

000802822.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000802822.mol 000802822.PUBCHEM 000802822.mol (via Jmol)
000802906.b3lyp_6-31g(d).inp

000802906.b3lyp_6-31g(d).qchem.inp (generated)

000802906.b3lyp_6-31g(d).gjf (generated)

000802906.b3lyp_6-31g(d).firefly.inp (generated)

000802906.b3lyp_6-31g(d).smash.inp (generated)

000802906.b3lyp_6-31g(d).nwchem.inp (generated) 000802906.b3lyp_6-31g(d).log.xz 000802906.mol 000802906.PUBCHEM 000802906.mol (via Jmol)
000802912.b3lyp_6-31g(d).inp

000802912.b3lyp_6-31g(d).qchem.inp (generated)

000802912.b3lyp_6-31g(d).gjf (generated)

000802912.b3lyp_6-31g(d).firefly.inp (generated)

000802912.b3lyp_6-31g(d).smash.inp (generated)

000802912.b3lyp_6-31g(d).nwchem.inp (generated) 000802912.b3lyp_6-31g(d).log.xz 000802912.td-b3lyp_6-31g+(d).inp 000802912.td-b3lyp_6-31g+(d).log.xz

000802912.td-b3lyp_6-31+g(d).qchem.inp (generated)

000802912.td-b3lyp_6-31+g(d).gjf (generated)

000802912.td-b3lyp_6-31+g(d).firefly.inp (generated)

000802912.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000802912.mol 000802912.PUBCHEM 000802912.mol (via Jmol)
000802938.b3lyp_6-31g(d).inp

000802938.b3lyp_6-31g(d).qchem.inp (generated)

000802938.b3lyp_6-31g(d).gjf (generated)

000802938.b3lyp_6-31g(d).firefly.inp (generated)

000802938.b3lyp_6-31g(d).smash.inp (generated)

000802938.b3lyp_6-31g(d).nwchem.inp (generated) 000802938.b3lyp_6-31g(d).log.xz 000802938.mol 000802938.PUBCHEM 000802938.mol (via Jmol)
000802979.b3lyp_6-31g(d).inp

000802979.b3lyp_6-31g(d).qchem.inp (generated)

000802979.b3lyp_6-31g(d).gjf (generated)

000802979.b3lyp_6-31g(d).firefly.inp (generated)

000802979.b3lyp_6-31g(d).smash.inp (generated)

000802979.b3lyp_6-31g(d).nwchem.inp (generated) 000802979.b3lyp_6-31g(d).log.xz 000802979.td-b3lyp_6-31g+(d).inp 000802979.td-b3lyp_6-31g+(d).log.xz

000802979.td-b3lyp_6-31+g(d).qchem.inp (generated)

000802979.td-b3lyp_6-31+g(d).gjf (generated)

000802979.td-b3lyp_6-31+g(d).firefly.inp (generated)

000802979.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000802979.mol 000802979.PUBCHEM 000802979.mol (via Jmol)
000802984.b3lyp_6-31g(d).inp

000802984.b3lyp_6-31g(d).qchem.inp (generated)

000802984.b3lyp_6-31g(d).gjf (generated)

000802984.b3lyp_6-31g(d).firefly.inp (generated)

000802984.b3lyp_6-31g(d).smash.inp (generated)

000802984.b3lyp_6-31g(d).nwchem.inp (generated) 000802984.b3lyp_6-31g(d).log.xz 000802984.td-b3lyp_6-31g+(d).inp 000802984.td-b3lyp_6-31g+(d).log.xz

000802984.td-b3lyp_6-31+g(d).qchem.inp (generated)

000802984.td-b3lyp_6-31+g(d).gjf (generated)

000802984.td-b3lyp_6-31+g(d).firefly.inp (generated)

000802984.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000802984.mol 000802984.PUBCHEM 000802984.mol (via Jmol)
000803009.b3lyp_6-31g(d).inp

000803009.b3lyp_6-31g(d).qchem.inp (generated)

000803009.b3lyp_6-31g(d).gjf (generated)

000803009.b3lyp_6-31g(d).firefly.inp (generated)

000803009.b3lyp_6-31g(d).smash.inp (generated)

000803009.b3lyp_6-31g(d).nwchem.inp (generated) 000803009.b3lyp_6-31g(d).log.xz 000803009.td-b3lyp_6-31g+(d).inp 000803009.td-b3lyp_6-31g+(d).log.xz

000803009.td-b3lyp_6-31+g(d).qchem.inp (generated)

000803009.td-b3lyp_6-31+g(d).gjf (generated)

000803009.td-b3lyp_6-31+g(d).firefly.inp (generated)

000803009.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000803009.mol 000803009.PUBCHEM 000803009.mol (via Jmol)
000803029.b3lyp_6-31g(d).inp

000803029.b3lyp_6-31g(d).qchem.inp (generated)

000803029.b3lyp_6-31g(d).gjf (generated)

000803029.b3lyp_6-31g(d).firefly.inp (generated)

000803029.b3lyp_6-31g(d).smash.inp (generated)

000803029.b3lyp_6-31g(d).nwchem.inp (generated) 000803029.b3lyp_6-31g(d).log.xz 000803029.mol 000803029.PUBCHEM 000803029.mol (via Jmol)
000803060.b3lyp_6-31g(d).inp

000803060.b3lyp_6-31g(d).qchem.inp (generated)

000803060.b3lyp_6-31g(d).gjf (generated)

000803060.b3lyp_6-31g(d).firefly.inp (generated)

000803060.b3lyp_6-31g(d).smash.inp (generated)

000803060.b3lyp_6-31g(d).nwchem.inp (generated) 000803060.b3lyp_6-31g(d).log.xz 000803060.td-b3lyp_6-31g+(d).inp 000803060.td-b3lyp_6-31g+(d).log.xz

000803060.td-b3lyp_6-31+g(d).qchem.inp (generated)

000803060.td-b3lyp_6-31+g(d).gjf (generated)

000803060.td-b3lyp_6-31+g(d).firefly.inp (generated)

000803060.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000803060.mol 000803060.PUBCHEM 000803060.mol (via Jmol)
000803084.b3lyp_6-31g(d).inp

000803084.b3lyp_6-31g(d).qchem.inp (generated)

000803084.b3lyp_6-31g(d).gjf (generated)

000803084.b3lyp_6-31g(d).firefly.inp (generated)

000803084.b3lyp_6-31g(d).smash.inp (generated)

000803084.b3lyp_6-31g(d).nwchem.inp (generated) 000803084.b3lyp_6-31g(d).log.xz 000803084.td-b3lyp_6-31g+(d).inp 000803084.td-b3lyp_6-31g+(d).log.xz

000803084.td-b3lyp_6-31+g(d).qchem.inp (generated)

000803084.td-b3lyp_6-31+g(d).gjf (generated)

000803084.td-b3lyp_6-31+g(d).firefly.inp (generated)

000803084.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000803084.mol 000803084.PUBCHEM 000803084.mol (via Jmol)
000803105.b3lyp_6-31g(d).inp

000803105.b3lyp_6-31g(d).qchem.inp (generated)

000803105.b3lyp_6-31g(d).gjf (generated)

000803105.b3lyp_6-31g(d).firefly.inp (generated)

000803105.b3lyp_6-31g(d).smash.inp (generated)

000803105.b3lyp_6-31g(d).nwchem.inp (generated) 000803105.b3lyp_6-31g(d).log.xz 000803105.mol 000803105.PUBCHEM 000803105.mol (via Jmol)
000803125.b3lyp_6-31g(d).inp

000803125.b3lyp_6-31g(d).qchem.inp (generated)

000803125.b3lyp_6-31g(d).gjf (generated)

000803125.b3lyp_6-31g(d).firefly.inp (generated)

000803125.b3lyp_6-31g(d).smash.inp (generated)

000803125.b3lyp_6-31g(d).nwchem.inp (generated) 000803125.b3lyp_6-31g(d).log.xz 000803125.mol 000803125.PUBCHEM 000803125.mol (via Jmol)
000803129.b3lyp_6-31g(d).inp

000803129.b3lyp_6-31g(d).qchem.inp (generated)

000803129.b3lyp_6-31g(d).gjf (generated)

000803129.b3lyp_6-31g(d).firefly.inp (generated)

000803129.b3lyp_6-31g(d).smash.inp (generated)

000803129.b3lyp_6-31g(d).nwchem.inp (generated) 000803129.b3lyp_6-31g(d).log.xz 000803129.td-b3lyp_6-31g+(d).inp 000803129.td-b3lyp_6-31g+(d).log.xz

000803129.td-b3lyp_6-31+g(d).qchem.inp (generated)

000803129.td-b3lyp_6-31+g(d).gjf (generated)

000803129.td-b3lyp_6-31+g(d).firefly.inp (generated)

000803129.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000803129.mol 000803129.PUBCHEM 000803129.mol (via Jmol)
000803163.b3lyp_6-31g(d).inp

000803163.b3lyp_6-31g(d).qchem.inp (generated)

000803163.b3lyp_6-31g(d).gjf (generated)

000803163.b3lyp_6-31g(d).firefly.inp (generated)

000803163.b3lyp_6-31g(d).smash.inp (generated)

000803163.b3lyp_6-31g(d).nwchem.inp (generated) 000803163.b3lyp_6-31g(d).log.xz 000803163.td-b3lyp_6-31g+(d).inp 000803163.td-b3lyp_6-31g+(d).log.xz

000803163.td-b3lyp_6-31+g(d).qchem.inp (generated)

000803163.td-b3lyp_6-31+g(d).gjf (generated)

000803163.td-b3lyp_6-31+g(d).firefly.inp (generated)

000803163.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000803163.mol 000803163.PUBCHEM 000803163.mol (via Jmol)
000803184.b3lyp_6-31g(d).inp

000803184.b3lyp_6-31g(d).qchem.inp (generated)

000803184.b3lyp_6-31g(d).gjf (generated)

000803184.b3lyp_6-31g(d).firefly.inp (generated)

000803184.b3lyp_6-31g(d).smash.inp (generated)

000803184.b3lyp_6-31g(d).nwchem.inp (generated) 000803184.b3lyp_6-31g(d).log.xz 000803184.mol 000803184.PUBCHEM 000803184.mol (via Jmol)
000803189.b3lyp_6-31g(d).inp

000803189.b3lyp_6-31g(d).qchem.inp (generated)

000803189.b3lyp_6-31g(d).gjf (generated)

000803189.b3lyp_6-31g(d).firefly.inp (generated)

000803189.b3lyp_6-31g(d).smash.inp (generated)

000803189.b3lyp_6-31g(d).nwchem.inp (generated) 000803189.b3lyp_6-31g(d).log.xz 000803189.mol 000803189.PUBCHEM 000803189.mol (via Jmol)
000803191.b3lyp_6-31g(d).inp

000803191.b3lyp_6-31g(d).qchem.inp (generated)

000803191.b3lyp_6-31g(d).gjf (generated)

000803191.b3lyp_6-31g(d).firefly.inp (generated)

000803191.b3lyp_6-31g(d).smash.inp (generated)

000803191.b3lyp_6-31g(d).nwchem.inp (generated) 000803191.b3lyp_6-31g(d).log.xz 000803191.td-b3lyp_6-31g+(d).inp 000803191.td-b3lyp_6-31g+(d).log.xz

000803191.td-b3lyp_6-31+g(d).qchem.inp (generated)

000803191.td-b3lyp_6-31+g(d).gjf (generated)

000803191.td-b3lyp_6-31+g(d).firefly.inp (generated)

000803191.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000803191.mol 000803191.PUBCHEM 000803191.mol (via Jmol)
000803193.b3lyp_6-31g(d).inp

000803193.b3lyp_6-31g(d).qchem.inp (generated)

000803193.b3lyp_6-31g(d).gjf (generated)

000803193.b3lyp_6-31g(d).firefly.inp (generated)

000803193.b3lyp_6-31g(d).smash.inp (generated)

000803193.b3lyp_6-31g(d).nwchem.inp (generated) 000803193.b3lyp_6-31g(d).log.xz 000803193.td-b3lyp_6-31g+(d).inp 000803193.td-b3lyp_6-31g+(d).log.xz

000803193.td-b3lyp_6-31+g(d).qchem.inp (generated)

000803193.td-b3lyp_6-31+g(d).gjf (generated)

000803193.td-b3lyp_6-31+g(d).firefly.inp (generated)

000803193.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000803193.mol 000803193.PUBCHEM 000803193.mol (via Jmol)
000803234.b3lyp_6-31g(d).inp

000803234.b3lyp_6-31g(d).qchem.inp (generated)

000803234.b3lyp_6-31g(d).gjf (generated)

000803234.b3lyp_6-31g(d).firefly.inp (generated)

000803234.b3lyp_6-31g(d).smash.inp (generated)

000803234.b3lyp_6-31g(d).nwchem.inp (generated) 000803234.b3lyp_6-31g(d).log.xz 000803234.mol 000803234.PUBCHEM 000803234.mol (via Jmol)
000803245.b3lyp_6-31g(d).inp

000803245.b3lyp_6-31g(d).qchem.inp (generated)

000803245.b3lyp_6-31g(d).gjf (generated)

000803245.b3lyp_6-31g(d).firefly.inp (generated)

000803245.b3lyp_6-31g(d).smash.inp (generated)

000803245.b3lyp_6-31g(d).nwchem.inp (generated) 000803245.b3lyp_6-31g(d).log.xz 000803245.td-b3lyp_6-31g+(d).inp 000803245.td-b3lyp_6-31g+(d).log.xz

000803245.td-b3lyp_6-31+g(d).qchem.inp (generated)

000803245.td-b3lyp_6-31+g(d).gjf (generated)

000803245.td-b3lyp_6-31+g(d).firefly.inp (generated)

000803245.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000803245.mol 000803245.PUBCHEM 000803245.mol (via Jmol)
000803257.b3lyp_6-31g(d).inp

000803257.b3lyp_6-31g(d).qchem.inp (generated)

000803257.b3lyp_6-31g(d).gjf (generated)

000803257.b3lyp_6-31g(d).firefly.inp (generated)

000803257.b3lyp_6-31g(d).smash.inp (generated)

000803257.b3lyp_6-31g(d).nwchem.inp (generated) 000803257.b3lyp_6-31g(d).log.xz 000803257.mol 000803257.PUBCHEM 000803257.mol (via Jmol)
000803352.b3lyp_6-31g(d).inp

000803352.b3lyp_6-31g(d).qchem.inp (generated)

000803352.b3lyp_6-31g(d).gjf (generated)

000803352.b3lyp_6-31g(d).firefly.inp (generated)

000803352.b3lyp_6-31g(d).smash.inp (generated)

000803352.b3lyp_6-31g(d).nwchem.inp (generated) 000803352.b3lyp_6-31g(d).log.xz 000803352.td-b3lyp_6-31g+(d).inp 000803352.td-b3lyp_6-31g+(d).log.xz

000803352.td-b3lyp_6-31+g(d).qchem.inp (generated)

000803352.td-b3lyp_6-31+g(d).gjf (generated)

000803352.td-b3lyp_6-31+g(d).firefly.inp (generated)

000803352.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000803352.mol 000803352.PUBCHEM 000803352.mol (via Jmol)
000803371.b3lyp_6-31g(d).inp

000803371.b3lyp_6-31g(d).qchem.inp (generated)

000803371.b3lyp_6-31g(d).gjf (generated)

000803371.b3lyp_6-31g(d).firefly.inp (generated)

000803371.b3lyp_6-31g(d).smash.inp (generated)

000803371.b3lyp_6-31g(d).nwchem.inp (generated) 000803371.b3lyp_6-31g(d).log.xz 000803371.td-b3lyp_6-31g+(d).inp 000803371.td-b3lyp_6-31g+(d).log.xz

000803371.td-b3lyp_6-31+g(d).qchem.inp (generated)

000803371.td-b3lyp_6-31+g(d).gjf (generated)

000803371.td-b3lyp_6-31+g(d).firefly.inp (generated)

000803371.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000803371.mol 000803371.PUBCHEM 000803371.mol (via Jmol)
000803376.b3lyp_6-31g(d).inp

000803376.b3lyp_6-31g(d).qchem.inp (generated)

000803376.b3lyp_6-31g(d).gjf (generated)

000803376.b3lyp_6-31g(d).firefly.inp (generated)

000803376.b3lyp_6-31g(d).smash.inp (generated)

000803376.b3lyp_6-31g(d).nwchem.inp (generated) 000803376.b3lyp_6-31g(d).log.xz 000803376.mol 000803376.PUBCHEM 000803376.mol (via Jmol)
000803405.b3lyp_6-31g(d).inp

000803405.b3lyp_6-31g(d).qchem.inp (generated)

000803405.b3lyp_6-31g(d).gjf (generated)

000803405.b3lyp_6-31g(d).firefly.inp (generated)

000803405.b3lyp_6-31g(d).smash.inp (generated)

000803405.b3lyp_6-31g(d).nwchem.inp (generated) 000803405.b3lyp_6-31g(d).log.xz 000803405.td-b3lyp_6-31g+(d).inp 000803405.td-b3lyp_6-31g+(d).log.xz

000803405.td-b3lyp_6-31+g(d).qchem.inp (generated)

000803405.td-b3lyp_6-31+g(d).gjf (generated)

000803405.td-b3lyp_6-31+g(d).firefly.inp (generated)

000803405.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000803405.mol 000803405.PUBCHEM 000803405.mol (via Jmol)
000803429.b3lyp_6-31g(d).inp

000803429.b3lyp_6-31g(d).qchem.inp (generated)

000803429.b3lyp_6-31g(d).gjf (generated)

000803429.b3lyp_6-31g(d).firefly.inp (generated)

000803429.b3lyp_6-31g(d).smash.inp (generated)

000803429.b3lyp_6-31g(d).nwchem.inp (generated) 000803429.b3lyp_6-31g(d).log.xz 000803429.td-b3lyp_6-31g+(d).inp 000803429.td-b3lyp_6-31g+(d).log.xz

000803429.td-b3lyp_6-31+g(d).qchem.inp (generated)

000803429.td-b3lyp_6-31+g(d).gjf (generated)

000803429.td-b3lyp_6-31+g(d).firefly.inp (generated)

000803429.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000803429.mol 000803429.PUBCHEM 000803429.mol (via Jmol)
000803478.b3lyp_6-31g(d).inp

000803478.b3lyp_6-31g(d).qchem.inp (generated)

000803478.b3lyp_6-31g(d).gjf (generated)

000803478.b3lyp_6-31g(d).firefly.inp (generated)

000803478.b3lyp_6-31g(d).smash.inp (generated)

000803478.b3lyp_6-31g(d).nwchem.inp (generated) 000803478.b3lyp_6-31g(d).log.xz 000803478.td-b3lyp_6-31g+(d).inp 000803478.td-b3lyp_6-31g+(d).log.xz

000803478.td-b3lyp_6-31+g(d).qchem.inp (generated)

000803478.td-b3lyp_6-31+g(d).gjf (generated)

000803478.td-b3lyp_6-31+g(d).firefly.inp (generated)

000803478.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000803478.mol 000803478.PUBCHEM 000803478.mol (via Jmol)
000803480.b3lyp_6-31g(d).inp

000803480.b3lyp_6-31g(d).qchem.inp (generated)

000803480.b3lyp_6-31g(d).gjf (generated)

000803480.b3lyp_6-31g(d).firefly.inp (generated)

000803480.b3lyp_6-31g(d).smash.inp (generated)

000803480.b3lyp_6-31g(d).nwchem.inp (generated) 000803480.b3lyp_6-31g(d).log.xz 000803480.td-b3lyp_6-31g+(d).inp 000803480.td-b3lyp_6-31g+(d).log.xz

000803480.td-b3lyp_6-31+g(d).qchem.inp (generated)

000803480.td-b3lyp_6-31+g(d).gjf (generated)

000803480.td-b3lyp_6-31+g(d).firefly.inp (generated)

000803480.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000803480.mol 000803480.PUBCHEM 000803480.mol (via Jmol)
000803566.b3lyp_6-31g(d).inp

000803566.b3lyp_6-31g(d).qchem.inp (generated)

000803566.b3lyp_6-31g(d).gjf (generated)

000803566.b3lyp_6-31g(d).firefly.inp (generated)

000803566.b3lyp_6-31g(d).smash.inp (generated)

000803566.b3lyp_6-31g(d).nwchem.inp (generated) 000803566.b3lyp_6-31g(d).log.xz 000803566.td-b3lyp_6-31g+(d).inp 000803566.td-b3lyp_6-31g+(d).log.xz

000803566.td-b3lyp_6-31+g(d).qchem.inp (generated)

000803566.td-b3lyp_6-31+g(d).gjf (generated)

000803566.td-b3lyp_6-31+g(d).firefly.inp (generated)

000803566.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000803566.mol 000803566.PUBCHEM 000803566.mol (via Jmol)
000803571.b3lyp_6-31g(d).inp

000803571.b3lyp_6-31g(d).qchem.inp (generated)

000803571.b3lyp_6-31g(d).gjf (generated)

000803571.b3lyp_6-31g(d).firefly.inp (generated)

000803571.b3lyp_6-31g(d).smash.inp (generated)

000803571.b3lyp_6-31g(d).nwchem.inp (generated) 000803571.b3lyp_6-31g(d).log.xz 000803571.td-b3lyp_6-31g+(d).inp 000803571.td-b3lyp_6-31g+(d).log.xz

000803571.td-b3lyp_6-31+g(d).qchem.inp (generated)

000803571.td-b3lyp_6-31+g(d).gjf (generated)

000803571.td-b3lyp_6-31+g(d).firefly.inp (generated)

000803571.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000803571.mol 000803571.PUBCHEM 000803571.mol (via Jmol)
000803575.b3lyp_6-31g(d).inp

000803575.b3lyp_6-31g(d).qchem.inp (generated)

000803575.b3lyp_6-31g(d).gjf (generated)

000803575.b3lyp_6-31g(d).firefly.inp (generated)

000803575.b3lyp_6-31g(d).smash.inp (generated)

000803575.b3lyp_6-31g(d).nwchem.inp (generated) 000803575.b3lyp_6-31g(d).log.xz 000803575.td-b3lyp_6-31g+(d).inp 000803575.td-b3lyp_6-31g+(d).log.xz

000803575.td-b3lyp_6-31+g(d).qchem.inp (generated)

000803575.td-b3lyp_6-31+g(d).gjf (generated)

000803575.td-b3lyp_6-31+g(d).firefly.inp (generated)

000803575.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000803575.mol 000803575.PUBCHEM 000803575.mol (via Jmol)
000803582.b3lyp_6-31g(d).inp

000803582.b3lyp_6-31g(d).qchem.inp (generated)

000803582.b3lyp_6-31g(d).gjf (generated)

000803582.b3lyp_6-31g(d).firefly.inp (generated)

000803582.b3lyp_6-31g(d).smash.inp (generated)

000803582.b3lyp_6-31g(d).nwchem.inp (generated) 000803582.b3lyp_6-31g(d).log.xz 000803582.td-b3lyp_6-31g+(d).inp 000803582.td-b3lyp_6-31g+(d).log.xz

000803582.td-b3lyp_6-31+g(d).qchem.inp (generated)

000803582.td-b3lyp_6-31+g(d).gjf (generated)

000803582.td-b3lyp_6-31+g(d).firefly.inp (generated)

000803582.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000803582.mol 000803582.PUBCHEM 000803582.mol (via Jmol)
000803619.b3lyp_6-31g(d).inp

000803619.b3lyp_6-31g(d).qchem.inp (generated)

000803619.b3lyp_6-31g(d).gjf (generated)

000803619.b3lyp_6-31g(d).firefly.inp (generated)

000803619.b3lyp_6-31g(d).smash.inp (generated)

000803619.b3lyp_6-31g(d).nwchem.inp (generated) 000803619.b3lyp_6-31g(d).log.xz 000803619.td-b3lyp_6-31g+(d).inp 000803619.td-b3lyp_6-31g+(d).log.xz

000803619.td-b3lyp_6-31+g(d).qchem.inp (generated)

000803619.td-b3lyp_6-31+g(d).gjf (generated)

000803619.td-b3lyp_6-31+g(d).firefly.inp (generated)

000803619.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000803619.mol 000803619.PUBCHEM 000803619.mol (via Jmol)
000803627.b3lyp_6-31g(d).inp

000803627.b3lyp_6-31g(d).qchem.inp (generated)

000803627.b3lyp_6-31g(d).gjf (generated)

000803627.b3lyp_6-31g(d).firefly.inp (generated)

000803627.b3lyp_6-31g(d).smash.inp (generated)

000803627.b3lyp_6-31g(d).nwchem.inp (generated) 000803627.b3lyp_6-31g(d).log.xz 000803627.td-b3lyp_6-31g+(d).inp 000803627.td-b3lyp_6-31g+(d).log.xz

000803627.td-b3lyp_6-31+g(d).qchem.inp (generated)

000803627.td-b3lyp_6-31+g(d).gjf (generated)

000803627.td-b3lyp_6-31+g(d).firefly.inp (generated)

000803627.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000803627.mol 000803627.PUBCHEM 000803627.mol (via Jmol)
000803643.b3lyp_6-31g(d).inp

000803643.b3lyp_6-31g(d).qchem.inp (generated)

000803643.b3lyp_6-31g(d).gjf (generated)

000803643.b3lyp_6-31g(d).firefly.inp (generated)

000803643.b3lyp_6-31g(d).smash.inp (generated)

000803643.b3lyp_6-31g(d).nwchem.inp (generated) 000803643.b3lyp_6-31g(d).log.xz 000803643.mol 000803643.PUBCHEM 000803643.mol (via Jmol)
000803675.b3lyp_6-31g(d).inp

000803675.b3lyp_6-31g(d).qchem.inp (generated)

000803675.b3lyp_6-31g(d).gjf (generated)

000803675.b3lyp_6-31g(d).firefly.inp (generated)

000803675.b3lyp_6-31g(d).smash.inp (generated)

000803675.b3lyp_6-31g(d).nwchem.inp (generated) 000803675.b3lyp_6-31g(d).log.xz 000803675.mol 000803675.PUBCHEM 000803675.mol (via Jmol)
000803681.b3lyp_6-31g(d).inp

000803681.b3lyp_6-31g(d).qchem.inp (generated)

000803681.b3lyp_6-31g(d).gjf (generated)

000803681.b3lyp_6-31g(d).firefly.inp (generated)

000803681.b3lyp_6-31g(d).smash.inp (generated)

000803681.b3lyp_6-31g(d).nwchem.inp (generated) 000803681.b3lyp_6-31g(d).log.xz 000803681.td-b3lyp_6-31g+(d).inp 000803681.td-b3lyp_6-31g+(d).log.xz

000803681.td-b3lyp_6-31+g(d).qchem.inp (generated)

000803681.td-b3lyp_6-31+g(d).gjf (generated)

000803681.td-b3lyp_6-31+g(d).firefly.inp (generated)

000803681.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000803681.mol 000803681.PUBCHEM 000803681.mol (via Jmol)
000803682.b3lyp_6-31g(d).inp

000803682.b3lyp_6-31g(d).qchem.inp (generated)

000803682.b3lyp_6-31g(d).gjf (generated)

000803682.b3lyp_6-31g(d).firefly.inp (generated)

000803682.b3lyp_6-31g(d).smash.inp (generated)

000803682.b3lyp_6-31g(d).nwchem.inp (generated) 000803682.b3lyp_6-31g(d).log.xz 000803682.mol 000803682.PUBCHEM 000803682.mol (via Jmol)
000803724.b3lyp_6-31g(d).inp

000803724.b3lyp_6-31g(d).qchem.inp (generated)

000803724.b3lyp_6-31g(d).gjf (generated)

000803724.b3lyp_6-31g(d).firefly.inp (generated)

000803724.b3lyp_6-31g(d).smash.inp (generated)

000803724.b3lyp_6-31g(d).nwchem.inp (generated) 000803724.b3lyp_6-31g(d).log.xz 000803724.td-b3lyp_6-31g+(d).inp 000803724.td-b3lyp_6-31g+(d).log.xz

000803724.td-b3lyp_6-31+g(d).qchem.inp (generated)

000803724.td-b3lyp_6-31+g(d).gjf (generated)

000803724.td-b3lyp_6-31+g(d).firefly.inp (generated)

000803724.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000803724.mol 000803724.PUBCHEM 000803724.mol (via Jmol)
000803730.b3lyp_6-31g(d).inp

000803730.b3lyp_6-31g(d).qchem.inp (generated)

000803730.b3lyp_6-31g(d).gjf (generated)

000803730.b3lyp_6-31g(d).firefly.inp (generated)

000803730.b3lyp_6-31g(d).smash.inp (generated)

000803730.b3lyp_6-31g(d).nwchem.inp (generated) 000803730.b3lyp_6-31g(d).log.xz 000803730.td-b3lyp_6-31g+(d).inp 000803730.td-b3lyp_6-31g+(d).log.xz

000803730.td-b3lyp_6-31+g(d).qchem.inp (generated)

000803730.td-b3lyp_6-31+g(d).gjf (generated)

000803730.td-b3lyp_6-31+g(d).firefly.inp (generated)

000803730.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000803730.mol 000803730.PUBCHEM 000803730.mol (via Jmol)
000803754.b3lyp_6-31g(d).inp

000803754.b3lyp_6-31g(d).qchem.inp (generated)

000803754.b3lyp_6-31g(d).gjf (generated)

000803754.b3lyp_6-31g(d).firefly.inp (generated)

000803754.b3lyp_6-31g(d).smash.inp (generated)

000803754.b3lyp_6-31g(d).nwchem.inp (generated) 000803754.b3lyp_6-31g(d).log.xz 000803754.mol 000803754.PUBCHEM 000803754.mol (via Jmol)
000803775.b3lyp_6-31g(d).inp

000803775.b3lyp_6-31g(d).qchem.inp (generated)

000803775.b3lyp_6-31g(d).gjf (generated)

000803775.b3lyp_6-31g(d).firefly.inp (generated)

000803775.b3lyp_6-31g(d).smash.inp (generated)

000803775.b3lyp_6-31g(d).nwchem.inp (generated) 000803775.b3lyp_6-31g(d).log.xz 000803775.mol 000803775.PUBCHEM 000803775.mol (via Jmol)
000803816.b3lyp_6-31g(d).inp

000803816.b3lyp_6-31g(d).qchem.inp (generated)

000803816.b3lyp_6-31g(d).gjf (generated)

000803816.b3lyp_6-31g(d).firefly.inp (generated)

000803816.b3lyp_6-31g(d).smash.inp (generated)

000803816.b3lyp_6-31g(d).nwchem.inp (generated) 000803816.b3lyp_6-31g(d).log.xz 000803816.mol 000803816.PUBCHEM 000803816.mol (via Jmol)
000803837.b3lyp_6-31g(d).inp

000803837.b3lyp_6-31g(d).qchem.inp (generated)

000803837.b3lyp_6-31g(d).gjf (generated)

000803837.b3lyp_6-31g(d).firefly.inp (generated)

000803837.b3lyp_6-31g(d).smash.inp (generated)

000803837.b3lyp_6-31g(d).nwchem.inp (generated) 000803837.b3lyp_6-31g(d).log.xz 000803837.td-b3lyp_6-31g+(d).inp 000803837.td-b3lyp_6-31g+(d).log.xz

000803837.td-b3lyp_6-31+g(d).qchem.inp (generated)

000803837.td-b3lyp_6-31+g(d).gjf (generated)

000803837.td-b3lyp_6-31+g(d).firefly.inp (generated)

000803837.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000803837.mol 000803837.PUBCHEM 000803837.mol (via Jmol)
000803901.b3lyp_6-31g(d).inp

000803901.b3lyp_6-31g(d).qchem.inp (generated)

000803901.b3lyp_6-31g(d).gjf (generated)

000803901.b3lyp_6-31g(d).firefly.inp (generated)

000803901.b3lyp_6-31g(d).smash.inp (generated)

000803901.b3lyp_6-31g(d).nwchem.inp (generated) 000803901.b3lyp_6-31g(d).log.xz 000803901.mol 000803901.PUBCHEM 000803901.mol (via Jmol)
000803937.b3lyp_6-31g(d).inp

000803937.b3lyp_6-31g(d).qchem.inp (generated)

000803937.b3lyp_6-31g(d).gjf (generated)

000803937.b3lyp_6-31g(d).firefly.inp (generated)

000803937.b3lyp_6-31g(d).smash.inp (generated)

000803937.b3lyp_6-31g(d).nwchem.inp (generated) 000803937.b3lyp_6-31g(d).log.xz 000803937.mol 000803937.PUBCHEM 000803937.mol (via Jmol)
000803963.b3lyp_6-31g(d).inp

000803963.b3lyp_6-31g(d).qchem.inp (generated)

000803963.b3lyp_6-31g(d).gjf (generated)

000803963.b3lyp_6-31g(d).firefly.inp (generated)

000803963.b3lyp_6-31g(d).smash.inp (generated)

000803963.b3lyp_6-31g(d).nwchem.inp (generated) 000803963.b3lyp_6-31g(d).log.xz 000803963.mol 000803963.PUBCHEM 000803963.mol (via Jmol)
000804048.b3lyp_6-31g(d).inp

000804048.b3lyp_6-31g(d).qchem.inp (generated)

000804048.b3lyp_6-31g(d).gjf (generated)

000804048.b3lyp_6-31g(d).firefly.inp (generated)

000804048.b3lyp_6-31g(d).smash.inp (generated)

000804048.b3lyp_6-31g(d).nwchem.inp (generated) 000804048.b3lyp_6-31g(d).log.xz 000804048.td-b3lyp_6-31g+(d).inp 000804048.td-b3lyp_6-31g+(d).log.xz

000804048.td-b3lyp_6-31+g(d).qchem.inp (generated)

000804048.td-b3lyp_6-31+g(d).gjf (generated)

000804048.td-b3lyp_6-31+g(d).firefly.inp (generated)

000804048.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000804048.mol 000804048.PUBCHEM 000804048.mol (via Jmol)
000804053.b3lyp_6-31g(d).inp

000804053.b3lyp_6-31g(d).qchem.inp (generated)

000804053.b3lyp_6-31g(d).gjf (generated)

000804053.b3lyp_6-31g(d).firefly.inp (generated)

000804053.b3lyp_6-31g(d).smash.inp (generated)

000804053.b3lyp_6-31g(d).nwchem.inp (generated) 000804053.b3lyp_6-31g(d).log.xz 000804053.td-b3lyp_6-31g+(d).inp 000804053.td-b3lyp_6-31g+(d).log.xz

000804053.td-b3lyp_6-31+g(d).qchem.inp (generated)

000804053.td-b3lyp_6-31+g(d).gjf (generated)

000804053.td-b3lyp_6-31+g(d).firefly.inp (generated)

000804053.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000804053.mol 000804053.PUBCHEM 000804053.mol (via Jmol)
000804054.b3lyp_6-31g(d).inp

000804054.b3lyp_6-31g(d).qchem.inp (generated)

000804054.b3lyp_6-31g(d).gjf (generated)

000804054.b3lyp_6-31g(d).firefly.inp (generated)

000804054.b3lyp_6-31g(d).smash.inp (generated)

000804054.b3lyp_6-31g(d).nwchem.inp (generated) 000804054.b3lyp_6-31g(d).log.xz 000804054.td-b3lyp_6-31g+(d).inp 000804054.td-b3lyp_6-31g+(d).log.xz

000804054.td-b3lyp_6-31+g(d).qchem.inp (generated)

000804054.td-b3lyp_6-31+g(d).gjf (generated)

000804054.td-b3lyp_6-31+g(d).firefly.inp (generated)

000804054.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000804054.mol 000804054.PUBCHEM 000804054.mol (via Jmol)
000804057.b3lyp_6-31g(d).inp

000804057.b3lyp_6-31g(d).qchem.inp (generated)

000804057.b3lyp_6-31g(d).gjf (generated)

000804057.b3lyp_6-31g(d).firefly.inp (generated)

000804057.b3lyp_6-31g(d).smash.inp (generated)

000804057.b3lyp_6-31g(d).nwchem.inp (generated) 000804057.b3lyp_6-31g(d).log.xz 000804057.td-b3lyp_6-31g+(d).inp 000804057.td-b3lyp_6-31g+(d).log.xz

000804057.td-b3lyp_6-31+g(d).qchem.inp (generated)

000804057.td-b3lyp_6-31+g(d).gjf (generated)

000804057.td-b3lyp_6-31+g(d).firefly.inp (generated)

000804057.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000804057.mol 000804057.PUBCHEM 000804057.mol (via Jmol)
000804058.b3lyp_6-31g(d).inp

000804058.b3lyp_6-31g(d).qchem.inp (generated)

000804058.b3lyp_6-31g(d).gjf (generated)

000804058.b3lyp_6-31g(d).firefly.inp (generated)

000804058.b3lyp_6-31g(d).smash.inp (generated)

000804058.b3lyp_6-31g(d).nwchem.inp (generated) 000804058.b3lyp_6-31g(d).log.xz 000804058.td-b3lyp_6-31g+(d).inp 000804058.td-b3lyp_6-31g+(d).log.xz

000804058.td-b3lyp_6-31+g(d).qchem.inp (generated)

000804058.td-b3lyp_6-31+g(d).gjf (generated)

000804058.td-b3lyp_6-31+g(d).firefly.inp (generated)

000804058.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000804058.mol 000804058.PUBCHEM 000804058.mol (via Jmol)
000804105.b3lyp_6-31g(d).inp

000804105.b3lyp_6-31g(d).qchem.inp (generated)

000804105.b3lyp_6-31g(d).gjf (generated)

000804105.b3lyp_6-31g(d).firefly.inp (generated)

000804105.b3lyp_6-31g(d).smash.inp (generated)

000804105.b3lyp_6-31g(d).nwchem.inp (generated) 000804105.b3lyp_6-31g(d).log.xz 000804105.mol 000804105.PUBCHEM 000804105.mol (via Jmol)
000804107.b3lyp_6-31g(d).inp

000804107.b3lyp_6-31g(d).qchem.inp (generated)

000804107.b3lyp_6-31g(d).gjf (generated)

000804107.b3lyp_6-31g(d).firefly.inp (generated)

000804107.b3lyp_6-31g(d).smash.inp (generated)

000804107.b3lyp_6-31g(d).nwchem.inp (generated) 000804107.b3lyp_6-31g(d).log.xz 000804107.td-b3lyp_6-31g+(d).inp 000804107.td-b3lyp_6-31g+(d).log.xz

000804107.td-b3lyp_6-31+g(d).qchem.inp (generated)

000804107.td-b3lyp_6-31+g(d).gjf (generated)

000804107.td-b3lyp_6-31+g(d).firefly.inp (generated)

000804107.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000804107.mol 000804107.PUBCHEM 000804107.mol (via Jmol)
000804148.b3lyp_6-31g(d).inp

000804148.b3lyp_6-31g(d).qchem.inp (generated)

000804148.b3lyp_6-31g(d).gjf (generated)

000804148.b3lyp_6-31g(d).firefly.inp (generated)

000804148.b3lyp_6-31g(d).smash.inp (generated)

000804148.b3lyp_6-31g(d).nwchem.inp (generated) 000804148.b3lyp_6-31g(d).log.xz 000804148.td-b3lyp_6-31g+(d).inp 000804148.td-b3lyp_6-31g+(d).log.xz

000804148.td-b3lyp_6-31+g(d).qchem.inp (generated)

000804148.td-b3lyp_6-31+g(d).gjf (generated)

000804148.td-b3lyp_6-31+g(d).firefly.inp (generated)

000804148.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000804148.mol 000804148.PUBCHEM 000804148.mol (via Jmol)
000804186.b3lyp_6-31g(d).inp

000804186.b3lyp_6-31g(d).qchem.inp (generated)

000804186.b3lyp_6-31g(d).gjf (generated)

000804186.b3lyp_6-31g(d).firefly.inp (generated)

000804186.b3lyp_6-31g(d).smash.inp (generated)

000804186.b3lyp_6-31g(d).nwchem.inp (generated) 000804186.b3lyp_6-31g(d).log.xz 000804186.td-b3lyp_6-31g+(d).inp 000804186.td-b3lyp_6-31g+(d).log.xz

000804186.td-b3lyp_6-31+g(d).qchem.inp (generated)

000804186.td-b3lyp_6-31+g(d).gjf (generated)

000804186.td-b3lyp_6-31+g(d).firefly.inp (generated)

000804186.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000804186.mol 000804186.PUBCHEM 000804186.mol (via Jmol)
000804187.b3lyp_6-31g(d).inp

000804187.b3lyp_6-31g(d).qchem.inp (generated)

000804187.b3lyp_6-31g(d).gjf (generated)

000804187.b3lyp_6-31g(d).firefly.inp (generated)

000804187.b3lyp_6-31g(d).smash.inp (generated)

000804187.b3lyp_6-31g(d).nwchem.inp (generated) 000804187.b3lyp_6-31g(d).log.xz 000804187.td-b3lyp_6-31g+(d).inp 000804187.td-b3lyp_6-31g+(d).log.xz

000804187.td-b3lyp_6-31+g(d).qchem.inp (generated)

000804187.td-b3lyp_6-31+g(d).gjf (generated)

000804187.td-b3lyp_6-31+g(d).firefly.inp (generated)

000804187.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000804187.mol 000804187.PUBCHEM 000804187.mol (via Jmol)
000804208.b3lyp_6-31g(d).inp

000804208.b3lyp_6-31g(d).qchem.inp (generated)

000804208.b3lyp_6-31g(d).gjf (generated)

000804208.b3lyp_6-31g(d).firefly.inp (generated)

000804208.b3lyp_6-31g(d).smash.inp (generated)

000804208.b3lyp_6-31g(d).nwchem.inp (generated) 000804208.b3lyp_6-31g(d).log.xz 000804208.td-b3lyp_6-31g+(d).inp 000804208.td-b3lyp_6-31g+(d).log.xz

000804208.td-b3lyp_6-31+g(d).qchem.inp (generated)

000804208.td-b3lyp_6-31+g(d).gjf (generated)

000804208.td-b3lyp_6-31+g(d).firefly.inp (generated)

000804208.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000804208.mol 000804208.PUBCHEM 000804208.mol (via Jmol)
000804284.b3lyp_6-31g(d).inp

000804284.b3lyp_6-31g(d).qchem.inp (generated)

000804284.b3lyp_6-31g(d).gjf (generated)

000804284.b3lyp_6-31g(d).firefly.inp (generated)

000804284.b3lyp_6-31g(d).smash.inp (generated)

000804284.b3lyp_6-31g(d).nwchem.inp (generated) 000804284.b3lyp_6-31g(d).log.xz 000804284.td-b3lyp_6-31g+(d).inp 000804284.td-b3lyp_6-31g+(d).log.xz

000804284.td-b3lyp_6-31+g(d).qchem.inp (generated)

000804284.td-b3lyp_6-31+g(d).gjf (generated)

000804284.td-b3lyp_6-31+g(d).firefly.inp (generated)

000804284.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000804284.mol 000804284.PUBCHEM 000804284.mol (via Jmol)
000804292.b3lyp_6-31g(d).inp

000804292.b3lyp_6-31g(d).qchem.inp (generated)

000804292.b3lyp_6-31g(d).gjf (generated)

000804292.b3lyp_6-31g(d).firefly.inp (generated)

000804292.b3lyp_6-31g(d).smash.inp (generated)

000804292.b3lyp_6-31g(d).nwchem.inp (generated) 000804292.b3lyp_6-31g(d).log.xz 000804292.td-b3lyp_6-31g+(d).inp 000804292.td-b3lyp_6-31g+(d).log.xz

000804292.td-b3lyp_6-31+g(d).qchem.inp (generated)

000804292.td-b3lyp_6-31+g(d).gjf (generated)

000804292.td-b3lyp_6-31+g(d).firefly.inp (generated)

000804292.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000804292.mol 000804292.PUBCHEM 000804292.mol (via Jmol)
000804305.b3lyp_6-31g(d).inp

000804305.b3lyp_6-31g(d).qchem.inp (generated)

000804305.b3lyp_6-31g(d).gjf (generated)

000804305.b3lyp_6-31g(d).firefly.inp (generated)

000804305.b3lyp_6-31g(d).smash.inp (generated)

000804305.b3lyp_6-31g(d).nwchem.inp (generated) 000804305.b3lyp_6-31g(d).log.xz 000804305.td-b3lyp_6-31g+(d).inp 000804305.td-b3lyp_6-31g+(d).log.xz

000804305.td-b3lyp_6-31+g(d).qchem.inp (generated)

000804305.td-b3lyp_6-31+g(d).gjf (generated)

000804305.td-b3lyp_6-31+g(d).firefly.inp (generated)

000804305.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000804305.mol 000804305.PUBCHEM 000804305.mol (via Jmol)
000804352.b3lyp_6-31g(d).inp

000804352.b3lyp_6-31g(d).qchem.inp (generated)

000804352.b3lyp_6-31g(d).gjf (generated)

000804352.b3lyp_6-31g(d).firefly.inp (generated)

000804352.b3lyp_6-31g(d).smash.inp (generated)

000804352.b3lyp_6-31g(d).nwchem.inp (generated) 000804352.b3lyp_6-31g(d).log.xz 000804352.mol 000804352.PUBCHEM 000804352.mol (via Jmol)
000804397.b3lyp_6-31g(d).inp

000804397.b3lyp_6-31g(d).qchem.inp (generated)

000804397.b3lyp_6-31g(d).gjf (generated)

000804397.b3lyp_6-31g(d).firefly.inp (generated)

000804397.b3lyp_6-31g(d).smash.inp (generated)

000804397.b3lyp_6-31g(d).nwchem.inp (generated) 000804397.b3lyp_6-31g(d).log.xz 000804397.td-b3lyp_6-31g+(d).inp 000804397.td-b3lyp_6-31g+(d).log.xz

000804397.td-b3lyp_6-31+g(d).qchem.inp (generated)

000804397.td-b3lyp_6-31+g(d).gjf (generated)

000804397.td-b3lyp_6-31+g(d).firefly.inp (generated)

000804397.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000804397.mol 000804397.PUBCHEM 000804397.mol (via Jmol)
000804409.b3lyp_6-31g(d).inp

000804409.b3lyp_6-31g(d).qchem.inp (generated)

000804409.b3lyp_6-31g(d).gjf (generated)

000804409.b3lyp_6-31g(d).firefly.inp (generated)

000804409.b3lyp_6-31g(d).smash.inp (generated)

000804409.b3lyp_6-31g(d).nwchem.inp (generated) 000804409.b3lyp_6-31g(d).log.xz 000804409.mol 000804409.PUBCHEM 000804409.mol (via Jmol)
000804412.b3lyp_6-31g(d).inp

000804412.b3lyp_6-31g(d).qchem.inp (generated)

000804412.b3lyp_6-31g(d).gjf (generated)

000804412.b3lyp_6-31g(d).firefly.inp (generated)

000804412.b3lyp_6-31g(d).smash.inp (generated)

000804412.b3lyp_6-31g(d).nwchem.inp (generated) 000804412.b3lyp_6-31g(d).log.xz 000804412.mol 000804412.PUBCHEM 000804412.mol (via Jmol)
000804413.b3lyp_6-31g(d).inp

000804413.b3lyp_6-31g(d).qchem.inp (generated)

000804413.b3lyp_6-31g(d).gjf (generated)

000804413.b3lyp_6-31g(d).firefly.inp (generated)

000804413.b3lyp_6-31g(d).smash.inp (generated)

000804413.b3lyp_6-31g(d).nwchem.inp (generated) 000804413.b3lyp_6-31g(d).log.xz 000804413.td-b3lyp_6-31g+(d).inp 000804413.td-b3lyp_6-31g+(d).log.xz

000804413.td-b3lyp_6-31+g(d).qchem.inp (generated)

000804413.td-b3lyp_6-31+g(d).gjf (generated)

000804413.td-b3lyp_6-31+g(d).firefly.inp (generated)

000804413.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000804413.mol 000804413.PUBCHEM 000804413.mol (via Jmol)
000804434.b3lyp_6-31g(d).inp

000804434.b3lyp_6-31g(d).qchem.inp (generated)

000804434.b3lyp_6-31g(d).gjf (generated)

000804434.b3lyp_6-31g(d).firefly.inp (generated)

000804434.b3lyp_6-31g(d).smash.inp (generated)

000804434.b3lyp_6-31g(d).nwchem.inp (generated) 000804434.b3lyp_6-31g(d).log.xz 000804434.td-b3lyp_6-31g+(d).inp 000804434.td-b3lyp_6-31g+(d).log.xz

000804434.td-b3lyp_6-31+g(d).qchem.inp (generated)

000804434.td-b3lyp_6-31+g(d).gjf (generated)

000804434.td-b3lyp_6-31+g(d).firefly.inp (generated)

000804434.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000804434.mol 000804434.PUBCHEM 000804434.mol (via Jmol)
000804450.b3lyp_6-31g(d).inp

000804450.b3lyp_6-31g(d).qchem.inp (generated)

000804450.b3lyp_6-31g(d).gjf (generated)

000804450.b3lyp_6-31g(d).firefly.inp (generated)

000804450.b3lyp_6-31g(d).smash.inp (generated)

000804450.b3lyp_6-31g(d).nwchem.inp (generated) 000804450.b3lyp_6-31g(d).log.xz 000804450.td-b3lyp_6-31g+(d).inp 000804450.td-b3lyp_6-31g+(d).log.xz

000804450.td-b3lyp_6-31+g(d).qchem.inp (generated)

000804450.td-b3lyp_6-31+g(d).gjf (generated)

000804450.td-b3lyp_6-31+g(d).firefly.inp (generated)

000804450.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000804450.mol 000804450.PUBCHEM 000804450.mol (via Jmol)
000804455.b3lyp_6-31g(d).inp

000804455.b3lyp_6-31g(d).qchem.inp (generated)

000804455.b3lyp_6-31g(d).gjf (generated)

000804455.b3lyp_6-31g(d).firefly.inp (generated)

000804455.b3lyp_6-31g(d).smash.inp (generated)

000804455.b3lyp_6-31g(d).nwchem.inp (generated) 000804455.b3lyp_6-31g(d).log.xz 000804455.td-b3lyp_6-31g+(d).inp 000804455.td-b3lyp_6-31g+(d).log.xz

000804455.td-b3lyp_6-31+g(d).qchem.inp (generated)

000804455.td-b3lyp_6-31+g(d).gjf (generated)

000804455.td-b3lyp_6-31+g(d).firefly.inp (generated)

000804455.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000804455.mol 000804455.PUBCHEM 000804455.mol (via Jmol)
000804457.b3lyp_6-31g(d).inp

000804457.b3lyp_6-31g(d).qchem.inp (generated)

000804457.b3lyp_6-31g(d).gjf (generated)

000804457.b3lyp_6-31g(d).firefly.inp (generated)

000804457.b3lyp_6-31g(d).smash.inp (generated)

000804457.b3lyp_6-31g(d).nwchem.inp (generated) 000804457.b3lyp_6-31g(d).log.xz 000804457.td-b3lyp_6-31g+(d).inp 000804457.td-b3lyp_6-31g+(d).log.xz

000804457.td-b3lyp_6-31+g(d).qchem.inp (generated)

000804457.td-b3lyp_6-31+g(d).gjf (generated)

000804457.td-b3lyp_6-31+g(d).firefly.inp (generated)

000804457.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000804457.mol 000804457.PUBCHEM 000804457.mol (via Jmol)
000804508.b3lyp_6-31g(d).inp

000804508.b3lyp_6-31g(d).qchem.inp (generated)

000804508.b3lyp_6-31g(d).gjf (generated)

000804508.b3lyp_6-31g(d).firefly.inp (generated)

000804508.b3lyp_6-31g(d).smash.inp (generated)

000804508.b3lyp_6-31g(d).nwchem.inp (generated) 000804508.b3lyp_6-31g(d).log.xz 000804508.mol 000804508.PUBCHEM 000804508.mol (via Jmol)
000804550.b3lyp_6-31g(d).inp

000804550.b3lyp_6-31g(d).qchem.inp (generated)

000804550.b3lyp_6-31g(d).gjf (generated)

000804550.b3lyp_6-31g(d).firefly.inp (generated)

000804550.b3lyp_6-31g(d).smash.inp (generated)

000804550.b3lyp_6-31g(d).nwchem.inp (generated) 000804550.b3lyp_6-31g(d).log.xz 000804550.td-b3lyp_6-31g+(d).inp 000804550.td-b3lyp_6-31g+(d).log.xz

000804550.td-b3lyp_6-31+g(d).qchem.inp (generated)

000804550.td-b3lyp_6-31+g(d).gjf (generated)

000804550.td-b3lyp_6-31+g(d).firefly.inp (generated)

000804550.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000804550.mol 000804550.PUBCHEM 000804550.mol (via Jmol)
000804575.b3lyp_6-31g(d).inp

000804575.b3lyp_6-31g(d).qchem.inp (generated)

000804575.b3lyp_6-31g(d).gjf (generated)

000804575.b3lyp_6-31g(d).firefly.inp (generated)

000804575.b3lyp_6-31g(d).smash.inp (generated)

000804575.b3lyp_6-31g(d).nwchem.inp (generated) 000804575.b3lyp_6-31g(d).log.xz 000804575.mol 000804575.PUBCHEM 000804575.mol (via Jmol)
000804578.b3lyp_6-31g(d).inp

000804578.b3lyp_6-31g(d).qchem.inp (generated)

000804578.b3lyp_6-31g(d).gjf (generated)

000804578.b3lyp_6-31g(d).firefly.inp (generated)

000804578.b3lyp_6-31g(d).smash.inp (generated)

000804578.b3lyp_6-31g(d).nwchem.inp (generated) 000804578.b3lyp_6-31g(d).log.xz 000804578.mol 000804578.PUBCHEM 000804578.mol (via Jmol)
000804580.b3lyp_6-31g(d).inp

000804580.b3lyp_6-31g(d).qchem.inp (generated)

000804580.b3lyp_6-31g(d).gjf (generated)

000804580.b3lyp_6-31g(d).firefly.inp (generated)

000804580.b3lyp_6-31g(d).smash.inp (generated)

000804580.b3lyp_6-31g(d).nwchem.inp (generated) 000804580.b3lyp_6-31g(d).log.xz 000804580.td-b3lyp_6-31g+(d).inp 000804580.td-b3lyp_6-31g+(d).log.xz

000804580.td-b3lyp_6-31+g(d).qchem.inp (generated)

000804580.td-b3lyp_6-31+g(d).gjf (generated)

000804580.td-b3lyp_6-31+g(d).firefly.inp (generated)

000804580.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000804580.mol 000804580.PUBCHEM 000804580.mol (via Jmol)
000804585.b3lyp_6-31g(d).inp

000804585.b3lyp_6-31g(d).qchem.inp (generated)

000804585.b3lyp_6-31g(d).gjf (generated)

000804585.b3lyp_6-31g(d).firefly.inp (generated)

000804585.b3lyp_6-31g(d).smash.inp (generated)

000804585.b3lyp_6-31g(d).nwchem.inp (generated) 000804585.b3lyp_6-31g(d).log.xz 000804585.mol 000804585.PUBCHEM 000804585.mol (via Jmol)
000804596.b3lyp_6-31g(d).inp

000804596.b3lyp_6-31g(d).qchem.inp (generated)

000804596.b3lyp_6-31g(d).gjf (generated)

000804596.b3lyp_6-31g(d).firefly.inp (generated)

000804596.b3lyp_6-31g(d).smash.inp (generated)

000804596.b3lyp_6-31g(d).nwchem.inp (generated) 000804596.b3lyp_6-31g(d).log.xz 000804596.td-b3lyp_6-31g+(d).inp 000804596.td-b3lyp_6-31g+(d).log.xz

000804596.td-b3lyp_6-31+g(d).qchem.inp (generated)

000804596.td-b3lyp_6-31+g(d).gjf (generated)

000804596.td-b3lyp_6-31+g(d).firefly.inp (generated)

000804596.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000804596.mol 000804596.PUBCHEM 000804596.mol (via Jmol)
000804597.b3lyp_6-31g(d).inp

000804597.b3lyp_6-31g(d).qchem.inp (generated)

000804597.b3lyp_6-31g(d).gjf (generated)

000804597.b3lyp_6-31g(d).firefly.inp (generated)

000804597.b3lyp_6-31g(d).smash.inp (generated)

000804597.b3lyp_6-31g(d).nwchem.inp (generated) 000804597.b3lyp_6-31g(d).log.xz 000804597.td-b3lyp_6-31g+(d).inp 000804597.td-b3lyp_6-31g+(d).log.xz

000804597.td-b3lyp_6-31+g(d).qchem.inp (generated)

000804597.td-b3lyp_6-31+g(d).gjf (generated)

000804597.td-b3lyp_6-31+g(d).firefly.inp (generated)

000804597.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000804597.mol 000804597.PUBCHEM 000804597.mol (via Jmol)
000804688.b3lyp_6-31g(d).inp

000804688.b3lyp_6-31g(d).qchem.inp (generated)

000804688.b3lyp_6-31g(d).gjf (generated)

000804688.b3lyp_6-31g(d).firefly.inp (generated)

000804688.b3lyp_6-31g(d).smash.inp (generated)

000804688.b3lyp_6-31g(d).nwchem.inp (generated) 000804688.b3lyp_6-31g(d).log.xz 000804688.td-b3lyp_6-31g+(d).inp 000804688.td-b3lyp_6-31g+(d).log.xz

000804688.td-b3lyp_6-31+g(d).qchem.inp (generated)

000804688.td-b3lyp_6-31+g(d).gjf (generated)

000804688.td-b3lyp_6-31+g(d).firefly.inp (generated)

000804688.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000804688.mol 000804688.PUBCHEM 000804688.mol (via Jmol)
000804806.b3lyp_6-31g(d).inp

000804806.b3lyp_6-31g(d).qchem.inp (generated)

000804806.b3lyp_6-31g(d).gjf (generated)

000804806.b3lyp_6-31g(d).firefly.inp (generated)

000804806.b3lyp_6-31g(d).smash.inp (generated)

000804806.b3lyp_6-31g(d).nwchem.inp (generated) 000804806.b3lyp_6-31g(d).log.xz 000804806.td-b3lyp_6-31g+(d).inp 000804806.td-b3lyp_6-31g+(d).log.xz

000804806.td-b3lyp_6-31+g(d).qchem.inp (generated)

000804806.td-b3lyp_6-31+g(d).gjf (generated)

000804806.td-b3lyp_6-31+g(d).firefly.inp (generated)

000804806.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000804806.mol 000804806.PUBCHEM 000804806.mol (via Jmol)
000804825.b3lyp_6-31g(d).inp

000804825.b3lyp_6-31g(d).qchem.inp (generated)

000804825.b3lyp_6-31g(d).gjf (generated)

000804825.b3lyp_6-31g(d).firefly.inp (generated)

000804825.b3lyp_6-31g(d).smash.inp (generated)

000804825.b3lyp_6-31g(d).nwchem.inp (generated) 000804825.b3lyp_6-31g(d).log.xz 000804825.td-b3lyp_6-31g+(d).inp 000804825.td-b3lyp_6-31g+(d).log.xz

000804825.td-b3lyp_6-31+g(d).qchem.inp (generated)

000804825.td-b3lyp_6-31+g(d).gjf (generated)

000804825.td-b3lyp_6-31+g(d).firefly.inp (generated)

000804825.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000804825.mol 000804825.PUBCHEM 000804825.mol (via Jmol)
000804871.b3lyp_6-31g(d).inp

000804871.b3lyp_6-31g(d).qchem.inp (generated)

000804871.b3lyp_6-31g(d).gjf (generated)

000804871.b3lyp_6-31g(d).firefly.inp (generated)

000804871.b3lyp_6-31g(d).smash.inp (generated)

000804871.b3lyp_6-31g(d).nwchem.inp (generated) 000804871.b3lyp_6-31g(d).log.xz 000804871.mol 000804871.PUBCHEM 000804871.mol (via Jmol)
000804900.b3lyp_6-31g(d).inp

000804900.b3lyp_6-31g(d).qchem.inp (generated)

000804900.b3lyp_6-31g(d).gjf (generated)

000804900.b3lyp_6-31g(d).firefly.inp (generated)

000804900.b3lyp_6-31g(d).smash.inp (generated)

000804900.b3lyp_6-31g(d).nwchem.inp (generated) 000804900.b3lyp_6-31g(d).log.xz 000804900.td-b3lyp_6-31g+(d).inp 000804900.td-b3lyp_6-31g+(d).log.xz

000804900.td-b3lyp_6-31+g(d).qchem.inp (generated)

000804900.td-b3lyp_6-31+g(d).gjf (generated)

000804900.td-b3lyp_6-31+g(d).firefly.inp (generated)

000804900.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000804900.mol 000804900.PUBCHEM 000804900.mol (via Jmol)
000804901.b3lyp_6-31g(d).inp

000804901.b3lyp_6-31g(d).qchem.inp (generated)

000804901.b3lyp_6-31g(d).gjf (generated)

000804901.b3lyp_6-31g(d).firefly.inp (generated)

000804901.b3lyp_6-31g(d).smash.inp (generated)

000804901.b3lyp_6-31g(d).nwchem.inp (generated) 000804901.b3lyp_6-31g(d).log.xz 000804901.mol 000804901.PUBCHEM 000804901.mol (via Jmol)
000804911.b3lyp_6-31g(d).inp

000804911.b3lyp_6-31g(d).qchem.inp (generated)

000804911.b3lyp_6-31g(d).gjf (generated)

000804911.b3lyp_6-31g(d).firefly.inp (generated)

000804911.b3lyp_6-31g(d).smash.inp (generated)

000804911.b3lyp_6-31g(d).nwchem.inp (generated) 000804911.b3lyp_6-31g(d).log.xz 000804911.td-b3lyp_6-31g+(d).inp 000804911.td-b3lyp_6-31g+(d).log.xz

000804911.td-b3lyp_6-31+g(d).qchem.inp (generated)

000804911.td-b3lyp_6-31+g(d).gjf (generated)

000804911.td-b3lyp_6-31+g(d).firefly.inp (generated)

000804911.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000804911.mol 000804911.PUBCHEM 000804911.mol (via Jmol)
000804912.b3lyp_6-31g(d).inp

000804912.b3lyp_6-31g(d).qchem.inp (generated)

000804912.b3lyp_6-31g(d).gjf (generated)

000804912.b3lyp_6-31g(d).firefly.inp (generated)

000804912.b3lyp_6-31g(d).smash.inp (generated)

000804912.b3lyp_6-31g(d).nwchem.inp (generated) 000804912.b3lyp_6-31g(d).log.xz 000804912.mol 000804912.PUBCHEM 000804912.mol (via Jmol)
000804914.b3lyp_6-31g(d).inp

000804914.b3lyp_6-31g(d).qchem.inp (generated)

000804914.b3lyp_6-31g(d).gjf (generated)

000804914.b3lyp_6-31g(d).firefly.inp (generated)

000804914.b3lyp_6-31g(d).smash.inp (generated)

000804914.b3lyp_6-31g(d).nwchem.inp (generated) 000804914.b3lyp_6-31g(d).log.xz 000804914.td-b3lyp_6-31g+(d).inp 000804914.td-b3lyp_6-31g+(d).log.xz

000804914.td-b3lyp_6-31+g(d).qchem.inp (generated)

000804914.td-b3lyp_6-31+g(d).gjf (generated)

000804914.td-b3lyp_6-31+g(d).firefly.inp (generated)

000804914.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000804914.mol 000804914.PUBCHEM 000804914.mol (via Jmol)
000804928.b3lyp_6-31g(d).inp

000804928.b3lyp_6-31g(d).qchem.inp (generated)

000804928.b3lyp_6-31g(d).gjf (generated)

000804928.b3lyp_6-31g(d).firefly.inp (generated)

000804928.b3lyp_6-31g(d).smash.inp (generated)

000804928.b3lyp_6-31g(d).nwchem.inp (generated) 000804928.b3lyp_6-31g(d).log.xz 000804928.mol 000804928.PUBCHEM 000804928.mol (via Jmol)
000804946.b3lyp_6-31g(d).inp

000804946.b3lyp_6-31g(d).qchem.inp (generated)

000804946.b3lyp_6-31g(d).gjf (generated)

000804946.b3lyp_6-31g(d).firefly.inp (generated)

000804946.b3lyp_6-31g(d).smash.inp (generated)

000804946.b3lyp_6-31g(d).nwchem.inp (generated) 000804946.b3lyp_6-31g(d).log.xz 000804946.td-b3lyp_6-31g+(d).inp 000804946.td-b3lyp_6-31g+(d).log.xz

000804946.td-b3lyp_6-31+g(d).qchem.inp (generated)

000804946.td-b3lyp_6-31+g(d).gjf (generated)

000804946.td-b3lyp_6-31+g(d).firefly.inp (generated)

000804946.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000804946.mol 000804946.PUBCHEM 000804946.mol (via Jmol)
000804950.b3lyp_6-31g(d).inp

000804950.b3lyp_6-31g(d).qchem.inp (generated)

000804950.b3lyp_6-31g(d).gjf (generated)

000804950.b3lyp_6-31g(d).firefly.inp (generated)

000804950.b3lyp_6-31g(d).smash.inp (generated)

000804950.b3lyp_6-31g(d).nwchem.inp (generated) 000804950.b3lyp_6-31g(d).log.xz 000804950.td-b3lyp_6-31g+(d).inp 000804950.td-b3lyp_6-31g+(d).log.xz

000804950.td-b3lyp_6-31+g(d).qchem.inp (generated)

000804950.td-b3lyp_6-31+g(d).gjf (generated)

000804950.td-b3lyp_6-31+g(d).firefly.inp (generated)

000804950.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000804950.mol 000804950.PUBCHEM 000804950.mol (via Jmol)
000804952.b3lyp_6-31g(d).inp

000804952.b3lyp_6-31g(d).qchem.inp (generated)

000804952.b3lyp_6-31g(d).gjf (generated)

000804952.b3lyp_6-31g(d).firefly.inp (generated)

000804952.b3lyp_6-31g(d).smash.inp (generated)

000804952.b3lyp_6-31g(d).nwchem.inp (generated) 000804952.b3lyp_6-31g(d).log.xz 000804952.mol 000804952.PUBCHEM 000804952.mol (via Jmol)
000804954.b3lyp_6-31g(d).inp

000804954.b3lyp_6-31g(d).qchem.inp (generated)

000804954.b3lyp_6-31g(d).gjf (generated)

000804954.b3lyp_6-31g(d).firefly.inp (generated)

000804954.b3lyp_6-31g(d).smash.inp (generated)

000804954.b3lyp_6-31g(d).nwchem.inp (generated) 000804954.b3lyp_6-31g(d).log.xz 000804954.mol 000804954.PUBCHEM 000804954.mol (via Jmol)
000804966.b3lyp_6-31g(d).inp

000804966.b3lyp_6-31g(d).qchem.inp (generated)

000804966.b3lyp_6-31g(d).gjf (generated)

000804966.b3lyp_6-31g(d).firefly.inp (generated)

000804966.b3lyp_6-31g(d).smash.inp (generated)

000804966.b3lyp_6-31g(d).nwchem.inp (generated) 000804966.b3lyp_6-31g(d).log.xz 000804966.td-b3lyp_6-31g+(d).inp 000804966.td-b3lyp_6-31g+(d).log.xz

000804966.td-b3lyp_6-31+g(d).qchem.inp (generated)

000804966.td-b3lyp_6-31+g(d).gjf (generated)

000804966.td-b3lyp_6-31+g(d).firefly.inp (generated)

000804966.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000804966.mol 000804966.PUBCHEM 000804966.mol (via Jmol)
000804973.b3lyp_6-31g(d).inp

000804973.b3lyp_6-31g(d).qchem.inp (generated)

000804973.b3lyp_6-31g(d).gjf (generated)

000804973.b3lyp_6-31g(d).firefly.inp (generated)

000804973.b3lyp_6-31g(d).smash.inp (generated)

000804973.b3lyp_6-31g(d).nwchem.inp (generated) 000804973.b3lyp_6-31g(d).log.xz 000804973.mol 000804973.PUBCHEM 000804973.mol (via Jmol)
000804988.b3lyp_6-31g(d).inp

000804988.b3lyp_6-31g(d).qchem.inp (generated)

000804988.b3lyp_6-31g(d).gjf (generated)

000804988.b3lyp_6-31g(d).firefly.inp (generated)

000804988.b3lyp_6-31g(d).smash.inp (generated)

000804988.b3lyp_6-31g(d).nwchem.inp (generated) 000804988.b3lyp_6-31g(d).log.xz 000804988.td-b3lyp_6-31g+(d).inp 000804988.td-b3lyp_6-31g+(d).log.xz

000804988.td-b3lyp_6-31+g(d).qchem.inp (generated)

000804988.td-b3lyp_6-31+g(d).gjf (generated)

000804988.td-b3lyp_6-31+g(d).firefly.inp (generated)

000804988.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000804988.mol 000804988.PUBCHEM 000804988.mol (via Jmol)
000805030.b3lyp_6-31g(d).inp

000805030.b3lyp_6-31g(d).qchem.inp (generated)

000805030.b3lyp_6-31g(d).gjf (generated)

000805030.b3lyp_6-31g(d).firefly.inp (generated)

000805030.b3lyp_6-31g(d).smash.inp (generated)

000805030.b3lyp_6-31g(d).nwchem.inp (generated) 000805030.b3lyp_6-31g(d).log.xz 000805030.td-b3lyp_6-31g+(d).inp 000805030.td-b3lyp_6-31g+(d).log.xz

000805030.td-b3lyp_6-31+g(d).qchem.inp (generated)

000805030.td-b3lyp_6-31+g(d).gjf (generated)

000805030.td-b3lyp_6-31+g(d).firefly.inp (generated)

000805030.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000805030.mol 000805030.PUBCHEM 000805030.mol (via Jmol)
000805032.b3lyp_6-31g(d).inp

000805032.b3lyp_6-31g(d).qchem.inp (generated)

000805032.b3lyp_6-31g(d).gjf (generated)

000805032.b3lyp_6-31g(d).firefly.inp (generated)

000805032.b3lyp_6-31g(d).smash.inp (generated)

000805032.b3lyp_6-31g(d).nwchem.inp (generated) 000805032.b3lyp_6-31g(d).log.xz 000805032.td-b3lyp_6-31g+(d).inp 000805032.td-b3lyp_6-31g+(d).log.xz

000805032.td-b3lyp_6-31+g(d).qchem.inp (generated)

000805032.td-b3lyp_6-31+g(d).gjf (generated)

000805032.td-b3lyp_6-31+g(d).firefly.inp (generated)

000805032.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000805032.mol 000805032.PUBCHEM 000805032.mol (via Jmol)
000805050.b3lyp_6-31g(d).inp

000805050.b3lyp_6-31g(d).qchem.inp (generated)

000805050.b3lyp_6-31g(d).gjf (generated)

000805050.b3lyp_6-31g(d).firefly.inp (generated)

000805050.b3lyp_6-31g(d).smash.inp (generated)

000805050.b3lyp_6-31g(d).nwchem.inp (generated) 000805050.b3lyp_6-31g(d).log.xz 000805050.td-b3lyp_6-31g+(d).inp 000805050.td-b3lyp_6-31g+(d).log.xz

000805050.td-b3lyp_6-31+g(d).qchem.inp (generated)

000805050.td-b3lyp_6-31+g(d).gjf (generated)

000805050.td-b3lyp_6-31+g(d).firefly.inp (generated)

000805050.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000805050.mol 000805050.PUBCHEM 000805050.mol (via Jmol)
000805053.b3lyp_6-31g(d).inp

000805053.b3lyp_6-31g(d).qchem.inp (generated)

000805053.b3lyp_6-31g(d).gjf (generated)

000805053.b3lyp_6-31g(d).firefly.inp (generated)

000805053.b3lyp_6-31g(d).smash.inp (generated)

000805053.b3lyp_6-31g(d).nwchem.inp (generated) 000805053.b3lyp_6-31g(d).log.xz 000805053.td-b3lyp_6-31g+(d).inp 000805053.td-b3lyp_6-31g+(d).log.xz

000805053.td-b3lyp_6-31+g(d).qchem.inp (generated)

000805053.td-b3lyp_6-31+g(d).gjf (generated)

000805053.td-b3lyp_6-31+g(d).firefly.inp (generated)

000805053.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000805053.mol 000805053.PUBCHEM 000805053.mol (via Jmol)
000805082.b3lyp_6-31g(d).inp

000805082.b3lyp_6-31g(d).qchem.inp (generated)

000805082.b3lyp_6-31g(d).gjf (generated)

000805082.b3lyp_6-31g(d).firefly.inp (generated)

000805082.b3lyp_6-31g(d).smash.inp (generated)

000805082.b3lyp_6-31g(d).nwchem.inp (generated) 000805082.b3lyp_6-31g(d).log.xz 000805082.td-b3lyp_6-31g+(d).inp 000805082.td-b3lyp_6-31g+(d).log.xz

000805082.td-b3lyp_6-31+g(d).qchem.inp (generated)

000805082.td-b3lyp_6-31+g(d).gjf (generated)

000805082.td-b3lyp_6-31+g(d).firefly.inp (generated)

000805082.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000805082.mol 000805082.PUBCHEM 000805082.mol (via Jmol)
000805089.b3lyp_6-31g(d).inp

000805089.b3lyp_6-31g(d).qchem.inp (generated)

000805089.b3lyp_6-31g(d).gjf (generated)

000805089.b3lyp_6-31g(d).firefly.inp (generated)

000805089.b3lyp_6-31g(d).smash.inp (generated)

000805089.b3lyp_6-31g(d).nwchem.inp (generated) 000805089.b3lyp_6-31g(d).log.xz 000805089.td-b3lyp_6-31g+(d).inp 000805089.td-b3lyp_6-31g+(d).log.xz

000805089.td-b3lyp_6-31+g(d).qchem.inp (generated)

000805089.td-b3lyp_6-31+g(d).gjf (generated)

000805089.td-b3lyp_6-31+g(d).firefly.inp (generated)

000805089.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000805089.mol 000805089.PUBCHEM 000805089.mol (via Jmol)
000805117.b3lyp_6-31g(d).inp

000805117.b3lyp_6-31g(d).qchem.inp (generated)

000805117.b3lyp_6-31g(d).gjf (generated)

000805117.b3lyp_6-31g(d).firefly.inp (generated)

000805117.b3lyp_6-31g(d).smash.inp (generated)

000805117.b3lyp_6-31g(d).nwchem.inp (generated) 000805117.b3lyp_6-31g(d).log.xz 000805117.td-b3lyp_6-31g+(d).inp 000805117.td-b3lyp_6-31g+(d).log.xz

000805117.td-b3lyp_6-31+g(d).qchem.inp (generated)

000805117.td-b3lyp_6-31+g(d).gjf (generated)

000805117.td-b3lyp_6-31+g(d).firefly.inp (generated)

000805117.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000805117.mol 000805117.PUBCHEM 000805117.mol (via Jmol)
000805142.b3lyp_6-31g(d).inp

000805142.b3lyp_6-31g(d).qchem.inp (generated)

000805142.b3lyp_6-31g(d).gjf (generated)

000805142.b3lyp_6-31g(d).firefly.inp (generated)

000805142.b3lyp_6-31g(d).smash.inp (generated)

000805142.b3lyp_6-31g(d).nwchem.inp (generated) 000805142.b3lyp_6-31g(d).log.xz 000805142.td-b3lyp_6-31g+(d).inp 000805142.td-b3lyp_6-31g+(d).log.xz

000805142.td-b3lyp_6-31+g(d).qchem.inp (generated)

000805142.td-b3lyp_6-31+g(d).gjf (generated)

000805142.td-b3lyp_6-31+g(d).firefly.inp (generated)

000805142.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000805142.mol 000805142.PUBCHEM 000805142.mol (via Jmol)
000805159.b3lyp_6-31g(d).inp

000805159.b3lyp_6-31g(d).qchem.inp (generated)

000805159.b3lyp_6-31g(d).gjf (generated)

000805159.b3lyp_6-31g(d).firefly.inp (generated)

000805159.b3lyp_6-31g(d).smash.inp (generated)

000805159.b3lyp_6-31g(d).nwchem.inp (generated) 000805159.b3lyp_6-31g(d).log.xz 000805159.mol 000805159.PUBCHEM 000805159.mol (via Jmol)
000805161.b3lyp_6-31g(d).inp

000805161.b3lyp_6-31g(d).qchem.inp (generated)

000805161.b3lyp_6-31g(d).gjf (generated)

000805161.b3lyp_6-31g(d).firefly.inp (generated)

000805161.b3lyp_6-31g(d).smash.inp (generated)

000805161.b3lyp_6-31g(d).nwchem.inp (generated) 000805161.b3lyp_6-31g(d).log.xz 000805161.mol 000805161.PUBCHEM 000805161.mol (via Jmol)
000805163.b3lyp_6-31g(d).inp

000805163.b3lyp_6-31g(d).qchem.inp (generated)

000805163.b3lyp_6-31g(d).gjf (generated)

000805163.b3lyp_6-31g(d).firefly.inp (generated)

000805163.b3lyp_6-31g(d).smash.inp (generated)

000805163.b3lyp_6-31g(d).nwchem.inp (generated) 000805163.b3lyp_6-31g(d).log.xz 000805163.mol 000805163.PUBCHEM 000805163.mol (via Jmol)
000805171.b3lyp_6-31g(d).inp

000805171.b3lyp_6-31g(d).qchem.inp (generated)

000805171.b3lyp_6-31g(d).gjf (generated)

000805171.b3lyp_6-31g(d).firefly.inp (generated)

000805171.b3lyp_6-31g(d).smash.inp (generated)

000805171.b3lyp_6-31g(d).nwchem.inp (generated) 000805171.b3lyp_6-31g(d).log.xz 000805171.mol 000805171.PUBCHEM 000805171.mol (via Jmol)
000805213.b3lyp_6-31g(d).inp

000805213.b3lyp_6-31g(d).qchem.inp (generated)

000805213.b3lyp_6-31g(d).gjf (generated)

000805213.b3lyp_6-31g(d).firefly.inp (generated)

000805213.b3lyp_6-31g(d).smash.inp (generated)

000805213.b3lyp_6-31g(d).nwchem.inp (generated) 000805213.b3lyp_6-31g(d).log.xz 000805213.mol 000805213.PUBCHEM 000805213.mol (via Jmol)
000805218.b3lyp_6-31g(d).inp

000805218.b3lyp_6-31g(d).qchem.inp (generated)

000805218.b3lyp_6-31g(d).gjf (generated)

000805218.b3lyp_6-31g(d).firefly.inp (generated)

000805218.b3lyp_6-31g(d).smash.inp (generated)

000805218.b3lyp_6-31g(d).nwchem.inp (generated) 000805218.b3lyp_6-31g(d).log.xz 000805218.td-b3lyp_6-31g+(d).inp 000805218.td-b3lyp_6-31g+(d).log.xz

000805218.td-b3lyp_6-31+g(d).qchem.inp (generated)

000805218.td-b3lyp_6-31+g(d).gjf (generated)

000805218.td-b3lyp_6-31+g(d).firefly.inp (generated)

000805218.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000805218.mol 000805218.PUBCHEM 000805218.mol (via Jmol)
000805253.b3lyp_6-31g(d).inp

000805253.b3lyp_6-31g(d).qchem.inp (generated)

000805253.b3lyp_6-31g(d).gjf (generated)

000805253.b3lyp_6-31g(d).firefly.inp (generated)

000805253.b3lyp_6-31g(d).smash.inp (generated)

000805253.b3lyp_6-31g(d).nwchem.inp (generated) 000805253.b3lyp_6-31g(d).log.xz 000805253.td-b3lyp_6-31g+(d).inp 000805253.td-b3lyp_6-31g+(d).log.xz

000805253.td-b3lyp_6-31+g(d).qchem.inp (generated)

000805253.td-b3lyp_6-31+g(d).gjf (generated)

000805253.td-b3lyp_6-31+g(d).firefly.inp (generated)

000805253.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000805253.mol 000805253.PUBCHEM 000805253.mol (via Jmol)
000805259.b3lyp_6-31g(d).inp

000805259.b3lyp_6-31g(d).qchem.inp (generated)

000805259.b3lyp_6-31g(d).gjf (generated)

000805259.b3lyp_6-31g(d).firefly.inp (generated)

000805259.b3lyp_6-31g(d).smash.inp (generated)

000805259.b3lyp_6-31g(d).nwchem.inp (generated) 000805259.b3lyp_6-31g(d).log.xz 000805259.td-b3lyp_6-31g+(d).inp 000805259.td-b3lyp_6-31g+(d).log.xz

000805259.td-b3lyp_6-31+g(d).qchem.inp (generated)

000805259.td-b3lyp_6-31+g(d).gjf (generated)

000805259.td-b3lyp_6-31+g(d).firefly.inp (generated)

000805259.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000805259.mol 000805259.PUBCHEM 000805259.mol (via Jmol)
000805273.b3lyp_6-31g(d).inp

000805273.b3lyp_6-31g(d).qchem.inp (generated)

000805273.b3lyp_6-31g(d).gjf (generated)

000805273.b3lyp_6-31g(d).firefly.inp (generated)

000805273.b3lyp_6-31g(d).smash.inp (generated)

000805273.b3lyp_6-31g(d).nwchem.inp (generated) 000805273.b3lyp_6-31g(d).log.xz 000805273.td-b3lyp_6-31g+(d).inp 000805273.td-b3lyp_6-31g+(d).log.xz

000805273.td-b3lyp_6-31+g(d).qchem.inp (generated)

000805273.td-b3lyp_6-31+g(d).gjf (generated)

000805273.td-b3lyp_6-31+g(d).firefly.inp (generated)

000805273.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000805273.mol 000805273.PUBCHEM 000805273.mol (via Jmol)
000805303.b3lyp_6-31g(d).inp

000805303.b3lyp_6-31g(d).qchem.inp (generated)

000805303.b3lyp_6-31g(d).gjf (generated)

000805303.b3lyp_6-31g(d).firefly.inp (generated)

000805303.b3lyp_6-31g(d).smash.inp (generated)

000805303.b3lyp_6-31g(d).nwchem.inp (generated) 000805303.b3lyp_6-31g(d).log.xz 000805303.td-b3lyp_6-31g+(d).inp 000805303.td-b3lyp_6-31g+(d).log.xz

000805303.td-b3lyp_6-31+g(d).qchem.inp (generated)

000805303.td-b3lyp_6-31+g(d).gjf (generated)

000805303.td-b3lyp_6-31+g(d).firefly.inp (generated)

000805303.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000805303.mol 000805303.PUBCHEM 000805303.mol (via Jmol)
000805319.b3lyp_6-31g(d).inp

000805319.b3lyp_6-31g(d).qchem.inp (generated)

000805319.b3lyp_6-31g(d).gjf (generated)

000805319.b3lyp_6-31g(d).firefly.inp (generated)

000805319.b3lyp_6-31g(d).smash.inp (generated)

000805319.b3lyp_6-31g(d).nwchem.inp (generated) 000805319.b3lyp_6-31g(d).log.xz 000805319.mol 000805319.PUBCHEM 000805319.mol (via Jmol)
000805320.b3lyp_6-31g(d).inp

000805320.b3lyp_6-31g(d).qchem.inp (generated)

000805320.b3lyp_6-31g(d).gjf (generated)

000805320.b3lyp_6-31g(d).firefly.inp (generated)

000805320.b3lyp_6-31g(d).smash.inp (generated)

000805320.b3lyp_6-31g(d).nwchem.inp (generated) 000805320.b3lyp_6-31g(d).log.xz 000805320.mol 000805320.PUBCHEM 000805320.mol (via Jmol)
000805326.b3lyp_6-31g(d).inp

000805326.b3lyp_6-31g(d).qchem.inp (generated)

000805326.b3lyp_6-31g(d).gjf (generated)

000805326.b3lyp_6-31g(d).firefly.inp (generated)

000805326.b3lyp_6-31g(d).smash.inp (generated)

000805326.b3lyp_6-31g(d).nwchem.inp (generated) 000805326.b3lyp_6-31g(d).log.xz 000805326.td-b3lyp_6-31g+(d).inp 000805326.td-b3lyp_6-31g+(d).log.xz

000805326.td-b3lyp_6-31+g(d).qchem.inp (generated)

000805326.td-b3lyp_6-31+g(d).gjf (generated)

000805326.td-b3lyp_6-31+g(d).firefly.inp (generated)

000805326.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000805326.mol 000805326.PUBCHEM 000805326.mol (via Jmol)
000805327.b3lyp_6-31g(d).inp

000805327.b3lyp_6-31g(d).qchem.inp (generated)

000805327.b3lyp_6-31g(d).gjf (generated)

000805327.b3lyp_6-31g(d).firefly.inp (generated)

000805327.b3lyp_6-31g(d).smash.inp (generated)

000805327.b3lyp_6-31g(d).nwchem.inp (generated) 000805327.b3lyp_6-31g(d).log.xz 000805327.td-b3lyp_6-31g+(d).inp 000805327.td-b3lyp_6-31g+(d).log.xz

000805327.td-b3lyp_6-31+g(d).qchem.inp (generated)

000805327.td-b3lyp_6-31+g(d).gjf (generated)

000805327.td-b3lyp_6-31+g(d).firefly.inp (generated)

000805327.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000805327.mol 000805327.PUBCHEM 000805327.mol (via Jmol)
000805331.b3lyp_6-31g(d).inp

000805331.b3lyp_6-31g(d).qchem.inp (generated)

000805331.b3lyp_6-31g(d).gjf (generated)

000805331.b3lyp_6-31g(d).firefly.inp (generated)

000805331.b3lyp_6-31g(d).smash.inp (generated)

000805331.b3lyp_6-31g(d).nwchem.inp (generated) 000805331.b3lyp_6-31g(d).log.xz 000805331.td-b3lyp_6-31g+(d).inp 000805331.td-b3lyp_6-31g+(d).log.xz

000805331.td-b3lyp_6-31+g(d).qchem.inp (generated)

000805331.td-b3lyp_6-31+g(d).gjf (generated)

000805331.td-b3lyp_6-31+g(d).firefly.inp (generated)

000805331.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000805331.mol 000805331.PUBCHEM 000805331.mol (via Jmol)
000805332.b3lyp_6-31g(d).inp

000805332.b3lyp_6-31g(d).qchem.inp (generated)

000805332.b3lyp_6-31g(d).gjf (generated)

000805332.b3lyp_6-31g(d).firefly.inp (generated)

000805332.b3lyp_6-31g(d).smash.inp (generated)

000805332.b3lyp_6-31g(d).nwchem.inp (generated) 000805332.b3lyp_6-31g(d).log.xz 000805332.td-b3lyp_6-31g+(d).inp 000805332.td-b3lyp_6-31g+(d).log.xz

000805332.td-b3lyp_6-31+g(d).qchem.inp (generated)

000805332.td-b3lyp_6-31+g(d).gjf (generated)

000805332.td-b3lyp_6-31+g(d).firefly.inp (generated)

000805332.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000805332.mol 000805332.PUBCHEM 000805332.mol (via Jmol)
000805346.b3lyp_6-31g(d).inp

000805346.b3lyp_6-31g(d).qchem.inp (generated)

000805346.b3lyp_6-31g(d).gjf (generated)

000805346.b3lyp_6-31g(d).firefly.inp (generated)

000805346.b3lyp_6-31g(d).smash.inp (generated)

000805346.b3lyp_6-31g(d).nwchem.inp (generated) 000805346.b3lyp_6-31g(d).log.xz 000805346.mol 000805346.PUBCHEM 000805346.mol (via Jmol)
000805360.b3lyp_6-31g(d).inp

000805360.b3lyp_6-31g(d).qchem.inp (generated)

000805360.b3lyp_6-31g(d).gjf (generated)

000805360.b3lyp_6-31g(d).firefly.inp (generated)

000805360.b3lyp_6-31g(d).smash.inp (generated)

000805360.b3lyp_6-31g(d).nwchem.inp (generated) 000805360.b3lyp_6-31g(d).log.xz 000805360.td-b3lyp_6-31g+(d).inp 000805360.td-b3lyp_6-31g+(d).log.xz

000805360.td-b3lyp_6-31+g(d).qchem.inp (generated)

000805360.td-b3lyp_6-31+g(d).gjf (generated)

000805360.td-b3lyp_6-31+g(d).firefly.inp (generated)

000805360.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000805360.mol 000805360.PUBCHEM 000805360.mol (via Jmol)
000805362.b3lyp_6-31g(d).inp

000805362.b3lyp_6-31g(d).qchem.inp (generated)

000805362.b3lyp_6-31g(d).gjf (generated)

000805362.b3lyp_6-31g(d).firefly.inp (generated)

000805362.b3lyp_6-31g(d).smash.inp (generated)

000805362.b3lyp_6-31g(d).nwchem.inp (generated) 000805362.b3lyp_6-31g(d).log.xz 000805362.td-b3lyp_6-31g+(d).inp 000805362.td-b3lyp_6-31g+(d).log.xz

000805362.td-b3lyp_6-31+g(d).qchem.inp (generated)

000805362.td-b3lyp_6-31+g(d).gjf (generated)

000805362.td-b3lyp_6-31+g(d).firefly.inp (generated)

000805362.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000805362.mol 000805362.PUBCHEM 000805362.mol (via Jmol)
000805401.b3lyp_6-31g(d).inp

000805401.b3lyp_6-31g(d).qchem.inp (generated)

000805401.b3lyp_6-31g(d).gjf (generated)

000805401.b3lyp_6-31g(d).firefly.inp (generated)

000805401.b3lyp_6-31g(d).smash.inp (generated)

000805401.b3lyp_6-31g(d).nwchem.inp (generated) 000805401.b3lyp_6-31g(d).log.xz 000805401.td-b3lyp_6-31g+(d).inp 000805401.td-b3lyp_6-31g+(d).log.xz

000805401.td-b3lyp_6-31+g(d).qchem.inp (generated)

000805401.td-b3lyp_6-31+g(d).gjf (generated)

000805401.td-b3lyp_6-31+g(d).firefly.inp (generated)

000805401.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000805401.mol 000805401.PUBCHEM 000805401.mol (via Jmol)
000805405.b3lyp_6-31g(d).inp

000805405.b3lyp_6-31g(d).qchem.inp (generated)

000805405.b3lyp_6-31g(d).gjf (generated)

000805405.b3lyp_6-31g(d).firefly.inp (generated)

000805405.b3lyp_6-31g(d).smash.inp (generated)

000805405.b3lyp_6-31g(d).nwchem.inp (generated) 000805405.b3lyp_6-31g(d).log.xz 000805405.mol 000805405.PUBCHEM 000805405.mol (via Jmol)
000805420.b3lyp_6-31g(d).inp

000805420.b3lyp_6-31g(d).qchem.inp (generated)

000805420.b3lyp_6-31g(d).gjf (generated)

000805420.b3lyp_6-31g(d).firefly.inp (generated)

000805420.b3lyp_6-31g(d).smash.inp (generated)

000805420.b3lyp_6-31g(d).nwchem.inp (generated) 000805420.b3lyp_6-31g(d).log.xz 000805420.td-b3lyp_6-31g+(d).inp 000805420.td-b3lyp_6-31g+(d).log.xz

000805420.td-b3lyp_6-31+g(d).qchem.inp (generated)

000805420.td-b3lyp_6-31+g(d).gjf (generated)

000805420.td-b3lyp_6-31+g(d).firefly.inp (generated)

000805420.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000805420.mol 000805420.PUBCHEM 000805420.mol (via Jmol)
000805467.b3lyp_6-31g(d).inp

000805467.b3lyp_6-31g(d).qchem.inp (generated)

000805467.b3lyp_6-31g(d).gjf (generated)

000805467.b3lyp_6-31g(d).firefly.inp (generated)

000805467.b3lyp_6-31g(d).smash.inp (generated)

000805467.b3lyp_6-31g(d).nwchem.inp (generated) 000805467.b3lyp_6-31g(d).log.xz 000805467.td-b3lyp_6-31g+(d).inp 000805467.td-b3lyp_6-31g+(d).log.xz

000805467.td-b3lyp_6-31+g(d).qchem.inp (generated)

000805467.td-b3lyp_6-31+g(d).gjf (generated)

000805467.td-b3lyp_6-31+g(d).firefly.inp (generated)

000805467.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000805467.mol 000805467.PUBCHEM 000805467.mol (via Jmol)
000805501.b3lyp_6-31g(d).inp

000805501.b3lyp_6-31g(d).qchem.inp (generated)

000805501.b3lyp_6-31g(d).gjf (generated)

000805501.b3lyp_6-31g(d).firefly.inp (generated)

000805501.b3lyp_6-31g(d).smash.inp (generated)

000805501.b3lyp_6-31g(d).nwchem.inp (generated) 000805501.b3lyp_6-31g(d).log.xz 000805501.mol 000805501.PUBCHEM 000805501.mol (via Jmol)
000805513.b3lyp_6-31g(d).inp

000805513.b3lyp_6-31g(d).qchem.inp (generated)

000805513.b3lyp_6-31g(d).gjf (generated)

000805513.b3lyp_6-31g(d).firefly.inp (generated)

000805513.b3lyp_6-31g(d).smash.inp (generated)

000805513.b3lyp_6-31g(d).nwchem.inp (generated) 000805513.b3lyp_6-31g(d).log.xz 000805513.td-b3lyp_6-31g+(d).inp 000805513.td-b3lyp_6-31g+(d).log.xz

000805513.td-b3lyp_6-31+g(d).qchem.inp (generated)

000805513.td-b3lyp_6-31+g(d).gjf (generated)

000805513.td-b3lyp_6-31+g(d).firefly.inp (generated)

000805513.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000805513.mol 000805513.PUBCHEM 000805513.mol (via Jmol)
000805526.b3lyp_6-31g(d).inp

000805526.b3lyp_6-31g(d).qchem.inp (generated)

000805526.b3lyp_6-31g(d).gjf (generated)

000805526.b3lyp_6-31g(d).firefly.inp (generated)

000805526.b3lyp_6-31g(d).smash.inp (generated)

000805526.b3lyp_6-31g(d).nwchem.inp (generated) 000805526.b3lyp_6-31g(d).log.xz 000805526.mol 000805526.PUBCHEM 000805526.mol (via Jmol)
000805527.b3lyp_6-31g(d).inp

000805527.b3lyp_6-31g(d).qchem.inp (generated)

000805527.b3lyp_6-31g(d).gjf (generated)

000805527.b3lyp_6-31g(d).firefly.inp (generated)

000805527.b3lyp_6-31g(d).smash.inp (generated)

000805527.b3lyp_6-31g(d).nwchem.inp (generated) 000805527.b3lyp_6-31g(d).log.xz 000805527.mol 000805527.PUBCHEM 000805527.mol (via Jmol)
000805532.b3lyp_6-31g(d).inp

000805532.b3lyp_6-31g(d).qchem.inp (generated)

000805532.b3lyp_6-31g(d).gjf (generated)

000805532.b3lyp_6-31g(d).firefly.inp (generated)

000805532.b3lyp_6-31g(d).smash.inp (generated)

000805532.b3lyp_6-31g(d).nwchem.inp (generated) 000805532.b3lyp_6-31g(d).log.xz 000805532.td-b3lyp_6-31g+(d).inp 000805532.td-b3lyp_6-31g+(d).log.xz

000805532.td-b3lyp_6-31+g(d).qchem.inp (generated)

000805532.td-b3lyp_6-31+g(d).gjf (generated)

000805532.td-b3lyp_6-31+g(d).firefly.inp (generated)

000805532.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000805532.mol 000805532.PUBCHEM 000805532.mol (via Jmol)
000805551.b3lyp_6-31g(d).inp

000805551.b3lyp_6-31g(d).qchem.inp (generated)

000805551.b3lyp_6-31g(d).gjf (generated)

000805551.b3lyp_6-31g(d).firefly.inp (generated)

000805551.b3lyp_6-31g(d).smash.inp (generated)

000805551.b3lyp_6-31g(d).nwchem.inp (generated) 000805551.b3lyp_6-31g(d).log.xz 000805551.td-b3lyp_6-31g+(d).inp 000805551.td-b3lyp_6-31g+(d).log.xz

000805551.td-b3lyp_6-31+g(d).qchem.inp (generated)

000805551.td-b3lyp_6-31+g(d).gjf (generated)

000805551.td-b3lyp_6-31+g(d).firefly.inp (generated)

000805551.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000805551.mol 000805551.PUBCHEM 000805551.mol (via Jmol)
000805554.b3lyp_6-31g(d).inp

000805554.b3lyp_6-31g(d).qchem.inp (generated)

000805554.b3lyp_6-31g(d).gjf (generated)

000805554.b3lyp_6-31g(d).firefly.inp (generated)

000805554.b3lyp_6-31g(d).smash.inp (generated)

000805554.b3lyp_6-31g(d).nwchem.inp (generated) 000805554.b3lyp_6-31g(d).log.xz 000805554.td-b3lyp_6-31g+(d).inp 000805554.td-b3lyp_6-31g+(d).log.xz

000805554.td-b3lyp_6-31+g(d).qchem.inp (generated)

000805554.td-b3lyp_6-31+g(d).gjf (generated)

000805554.td-b3lyp_6-31+g(d).firefly.inp (generated)

000805554.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000805554.mol 000805554.PUBCHEM 000805554.mol (via Jmol)
000805576.b3lyp_6-31g(d).inp

000805576.b3lyp_6-31g(d).qchem.inp (generated)

000805576.b3lyp_6-31g(d).gjf (generated)

000805576.b3lyp_6-31g(d).firefly.inp (generated)

000805576.b3lyp_6-31g(d).smash.inp (generated)

000805576.b3lyp_6-31g(d).nwchem.inp (generated) 000805576.b3lyp_6-31g(d).log.xz 000805576.td-b3lyp_6-31g+(d).inp 000805576.td-b3lyp_6-31g+(d).log.xz

000805576.td-b3lyp_6-31+g(d).qchem.inp (generated)

000805576.td-b3lyp_6-31+g(d).gjf (generated)

000805576.td-b3lyp_6-31+g(d).firefly.inp (generated)

000805576.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000805576.mol 000805576.PUBCHEM 000805576.mol (via Jmol)
000805577.b3lyp_6-31g(d).inp

000805577.b3lyp_6-31g(d).qchem.inp (generated)

000805577.b3lyp_6-31g(d).gjf (generated)

000805577.b3lyp_6-31g(d).firefly.inp (generated)

000805577.b3lyp_6-31g(d).smash.inp (generated)

000805577.b3lyp_6-31g(d).nwchem.inp (generated) 000805577.b3lyp_6-31g(d).log.xz 000805577.td-b3lyp_6-31g+(d).inp 000805577.td-b3lyp_6-31g+(d).log.xz

000805577.td-b3lyp_6-31+g(d).qchem.inp (generated)

000805577.td-b3lyp_6-31+g(d).gjf (generated)

000805577.td-b3lyp_6-31+g(d).firefly.inp (generated)

000805577.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000805577.mol 000805577.PUBCHEM 000805577.mol (via Jmol)
000805579.b3lyp_6-31g(d).inp

000805579.b3lyp_6-31g(d).qchem.inp (generated)

000805579.b3lyp_6-31g(d).gjf (generated)

000805579.b3lyp_6-31g(d).firefly.inp (generated)

000805579.b3lyp_6-31g(d).smash.inp (generated)

000805579.b3lyp_6-31g(d).nwchem.inp (generated) 000805579.b3lyp_6-31g(d).log.xz 000805579.mol 000805579.PUBCHEM 000805579.mol (via Jmol)
000805586.b3lyp_6-31g(d).inp

000805586.b3lyp_6-31g(d).qchem.inp (generated)

000805586.b3lyp_6-31g(d).gjf (generated)

000805586.b3lyp_6-31g(d).firefly.inp (generated)

000805586.b3lyp_6-31g(d).smash.inp (generated)

000805586.b3lyp_6-31g(d).nwchem.inp (generated) 000805586.b3lyp_6-31g(d).log.xz 000805586.mol 000805586.PUBCHEM 000805586.mol (via Jmol)
000805623.b3lyp_6-31g(d).inp

000805623.b3lyp_6-31g(d).qchem.inp (generated)

000805623.b3lyp_6-31g(d).gjf (generated)

000805623.b3lyp_6-31g(d).firefly.inp (generated)

000805623.b3lyp_6-31g(d).smash.inp (generated)

000805623.b3lyp_6-31g(d).nwchem.inp (generated) 000805623.b3lyp_6-31g(d).log.xz 000805623.td-b3lyp_6-31g+(d).inp 000805623.td-b3lyp_6-31g+(d).log.xz

000805623.td-b3lyp_6-31+g(d).qchem.inp (generated)

000805623.td-b3lyp_6-31+g(d).gjf (generated)

000805623.td-b3lyp_6-31+g(d).firefly.inp (generated)

000805623.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000805623.mol 000805623.PUBCHEM 000805623.mol (via Jmol)
000805624.b3lyp_6-31g(d).inp

000805624.b3lyp_6-31g(d).qchem.inp (generated)

000805624.b3lyp_6-31g(d).gjf (generated)

000805624.b3lyp_6-31g(d).firefly.inp (generated)

000805624.b3lyp_6-31g(d).smash.inp (generated)

000805624.b3lyp_6-31g(d).nwchem.inp (generated) 000805624.b3lyp_6-31g(d).log.xz 000805624.td-b3lyp_6-31g+(d).inp 000805624.td-b3lyp_6-31g+(d).log.xz

000805624.td-b3lyp_6-31+g(d).qchem.inp (generated)

000805624.td-b3lyp_6-31+g(d).gjf (generated)

000805624.td-b3lyp_6-31+g(d).firefly.inp (generated)

000805624.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000805624.mol 000805624.PUBCHEM 000805624.mol (via Jmol)
000805647.b3lyp_6-31g(d).inp

000805647.b3lyp_6-31g(d).qchem.inp (generated)

000805647.b3lyp_6-31g(d).gjf (generated)

000805647.b3lyp_6-31g(d).firefly.inp (generated)

000805647.b3lyp_6-31g(d).smash.inp (generated)

000805647.b3lyp_6-31g(d).nwchem.inp (generated) 000805647.b3lyp_6-31g(d).log.xz 000805647.td-b3lyp_6-31g+(d).inp 000805647.td-b3lyp_6-31g+(d).log.xz

000805647.td-b3lyp_6-31+g(d).qchem.inp (generated)

000805647.td-b3lyp_6-31+g(d).gjf (generated)

000805647.td-b3lyp_6-31+g(d).firefly.inp (generated)

000805647.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000805647.mol 000805647.PUBCHEM 000805647.mol (via Jmol)
000805650.b3lyp_6-31g(d).inp

000805650.b3lyp_6-31g(d).qchem.inp (generated)

000805650.b3lyp_6-31g(d).gjf (generated)

000805650.b3lyp_6-31g(d).firefly.inp (generated)

000805650.b3lyp_6-31g(d).smash.inp (generated)

000805650.b3lyp_6-31g(d).nwchem.inp (generated) 000805650.b3lyp_6-31g(d).log.xz 000805650.td-b3lyp_6-31g+(d).inp 000805650.td-b3lyp_6-31g+(d).log.xz

000805650.td-b3lyp_6-31+g(d).qchem.inp (generated)

000805650.td-b3lyp_6-31+g(d).gjf (generated)

000805650.td-b3lyp_6-31+g(d).firefly.inp (generated)

000805650.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000805650.mol 000805650.PUBCHEM 000805650.mol (via Jmol)
000805654.b3lyp_6-31g(d).inp

000805654.b3lyp_6-31g(d).qchem.inp (generated)

000805654.b3lyp_6-31g(d).gjf (generated)

000805654.b3lyp_6-31g(d).firefly.inp (generated)

000805654.b3lyp_6-31g(d).smash.inp (generated)

000805654.b3lyp_6-31g(d).nwchem.inp (generated) 000805654.b3lyp_6-31g(d).log.xz 000805654.td-b3lyp_6-31g+(d).inp 000805654.td-b3lyp_6-31g+(d).log.xz

000805654.td-b3lyp_6-31+g(d).qchem.inp (generated)

000805654.td-b3lyp_6-31+g(d).gjf (generated)

000805654.td-b3lyp_6-31+g(d).firefly.inp (generated)

000805654.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000805654.mol 000805654.PUBCHEM 000805654.mol (via Jmol)
000805661.b3lyp_6-31g(d).inp

000805661.b3lyp_6-31g(d).qchem.inp (generated)

000805661.b3lyp_6-31g(d).gjf (generated)

000805661.b3lyp_6-31g(d).firefly.inp (generated)

000805661.b3lyp_6-31g(d).smash.inp (generated)

000805661.b3lyp_6-31g(d).nwchem.inp (generated) 000805661.b3lyp_6-31g(d).log.xz 000805661.mol 000805661.PUBCHEM 000805661.mol (via Jmol)
000805680.b3lyp_6-31g(d).inp

000805680.b3lyp_6-31g(d).qchem.inp (generated)

000805680.b3lyp_6-31g(d).gjf (generated)

000805680.b3lyp_6-31g(d).firefly.inp (generated)

000805680.b3lyp_6-31g(d).smash.inp (generated)

000805680.b3lyp_6-31g(d).nwchem.inp (generated) 000805680.b3lyp_6-31g(d).log.xz 000805680.td-b3lyp_6-31g+(d).inp 000805680.td-b3lyp_6-31g+(d).log.xz

000805680.td-b3lyp_6-31+g(d).qchem.inp (generated)

000805680.td-b3lyp_6-31+g(d).gjf (generated)

000805680.td-b3lyp_6-31+g(d).firefly.inp (generated)

000805680.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000805680.mol 000805680.PUBCHEM 000805680.mol (via Jmol)
000805701.b3lyp_6-31g(d).inp

000805701.b3lyp_6-31g(d).qchem.inp (generated)

000805701.b3lyp_6-31g(d).gjf (generated)

000805701.b3lyp_6-31g(d).firefly.inp (generated)

000805701.b3lyp_6-31g(d).smash.inp (generated)

000805701.b3lyp_6-31g(d).nwchem.inp (generated) 000805701.b3lyp_6-31g(d).log.xz 000805701.mol 000805701.PUBCHEM 000805701.mol (via Jmol)
000805709.b3lyp_6-31g(d).inp

000805709.b3lyp_6-31g(d).qchem.inp (generated)

000805709.b3lyp_6-31g(d).gjf (generated)

000805709.b3lyp_6-31g(d).firefly.inp (generated)

000805709.b3lyp_6-31g(d).smash.inp (generated)

000805709.b3lyp_6-31g(d).nwchem.inp (generated) 000805709.b3lyp_6-31g(d).log.xz 000805709.td-b3lyp_6-31g+(d).inp 000805709.td-b3lyp_6-31g+(d).log.xz

000805709.td-b3lyp_6-31+g(d).qchem.inp (generated)

000805709.td-b3lyp_6-31+g(d).gjf (generated)

000805709.td-b3lyp_6-31+g(d).firefly.inp (generated)

000805709.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000805709.mol 000805709.PUBCHEM 000805709.mol (via Jmol)
000805716.b3lyp_6-31g(d).inp

000805716.b3lyp_6-31g(d).qchem.inp (generated)

000805716.b3lyp_6-31g(d).gjf (generated)

000805716.b3lyp_6-31g(d).firefly.inp (generated)

000805716.b3lyp_6-31g(d).smash.inp (generated)

000805716.b3lyp_6-31g(d).nwchem.inp (generated) 000805716.b3lyp_6-31g(d).log.xz 000805716.td-b3lyp_6-31g+(d).inp 000805716.td-b3lyp_6-31g+(d).log.xz

000805716.td-b3lyp_6-31+g(d).qchem.inp (generated)

000805716.td-b3lyp_6-31+g(d).gjf (generated)

000805716.td-b3lyp_6-31+g(d).firefly.inp (generated)

000805716.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000805716.mol 000805716.PUBCHEM 000805716.mol (via Jmol)
000805720.b3lyp_6-31g(d).inp

000805720.b3lyp_6-31g(d).qchem.inp (generated)

000805720.b3lyp_6-31g(d).gjf (generated)

000805720.b3lyp_6-31g(d).firefly.inp (generated)

000805720.b3lyp_6-31g(d).smash.inp (generated)

000805720.b3lyp_6-31g(d).nwchem.inp (generated) 000805720.b3lyp_6-31g(d).log.xz 000805720.td-b3lyp_6-31g+(d).inp 000805720.td-b3lyp_6-31g+(d).log.xz

000805720.td-b3lyp_6-31+g(d).qchem.inp (generated)

000805720.td-b3lyp_6-31+g(d).gjf (generated)

000805720.td-b3lyp_6-31+g(d).firefly.inp (generated)

000805720.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000805720.mol 000805720.PUBCHEM 000805720.mol (via Jmol)
000805727.b3lyp_6-31g(d).inp

000805727.b3lyp_6-31g(d).qchem.inp (generated)

000805727.b3lyp_6-31g(d).gjf (generated)

000805727.b3lyp_6-31g(d).firefly.inp (generated)

000805727.b3lyp_6-31g(d).smash.inp (generated)

000805727.b3lyp_6-31g(d).nwchem.inp (generated) 000805727.b3lyp_6-31g(d).log.xz 000805727.td-b3lyp_6-31g+(d).inp 000805727.td-b3lyp_6-31g+(d).log.xz

000805727.td-b3lyp_6-31+g(d).qchem.inp (generated)

000805727.td-b3lyp_6-31+g(d).gjf (generated)

000805727.td-b3lyp_6-31+g(d).firefly.inp (generated)

000805727.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000805727.mol 000805727.PUBCHEM 000805727.mol (via Jmol)
000805735.b3lyp_6-31g(d).inp

000805735.b3lyp_6-31g(d).qchem.inp (generated)

000805735.b3lyp_6-31g(d).gjf (generated)

000805735.b3lyp_6-31g(d).firefly.inp (generated)

000805735.b3lyp_6-31g(d).smash.inp (generated)

000805735.b3lyp_6-31g(d).nwchem.inp (generated) 000805735.b3lyp_6-31g(d).log.xz 000805735.mol 000805735.PUBCHEM 000805735.mol (via Jmol)
000805800.b3lyp_6-31g(d).inp

000805800.b3lyp_6-31g(d).qchem.inp (generated)

000805800.b3lyp_6-31g(d).gjf (generated)

000805800.b3lyp_6-31g(d).firefly.inp (generated)

000805800.b3lyp_6-31g(d).smash.inp (generated)

000805800.b3lyp_6-31g(d).nwchem.inp (generated) 000805800.b3lyp_6-31g(d).log.xz 000805800.td-b3lyp_6-31g+(d).inp 000805800.td-b3lyp_6-31g+(d).log.xz

000805800.td-b3lyp_6-31+g(d).qchem.inp (generated)

000805800.td-b3lyp_6-31+g(d).gjf (generated)

000805800.td-b3lyp_6-31+g(d).firefly.inp (generated)

000805800.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000805800.mol 000805800.PUBCHEM 000805800.mol (via Jmol)
000805806.b3lyp_6-31g(d).inp

000805806.b3lyp_6-31g(d).qchem.inp (generated)

000805806.b3lyp_6-31g(d).gjf (generated)

000805806.b3lyp_6-31g(d).firefly.inp (generated)

000805806.b3lyp_6-31g(d).smash.inp (generated)

000805806.b3lyp_6-31g(d).nwchem.inp (generated) 000805806.b3lyp_6-31g(d).log.xz 000805806.td-b3lyp_6-31g+(d).inp 000805806.td-b3lyp_6-31g+(d).log.xz

000805806.td-b3lyp_6-31+g(d).qchem.inp (generated)

000805806.td-b3lyp_6-31+g(d).gjf (generated)

000805806.td-b3lyp_6-31+g(d).firefly.inp (generated)

000805806.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000805806.mol 000805806.PUBCHEM 000805806.mol (via Jmol)
000805867.b3lyp_6-31g(d).inp

000805867.b3lyp_6-31g(d).qchem.inp (generated)

000805867.b3lyp_6-31g(d).gjf (generated)

000805867.b3lyp_6-31g(d).firefly.inp (generated)

000805867.b3lyp_6-31g(d).smash.inp (generated)

000805867.b3lyp_6-31g(d).nwchem.inp (generated) 000805867.b3lyp_6-31g(d).log.xz 000805867.td-b3lyp_6-31g+(d).inp 000805867.td-b3lyp_6-31g+(d).log.xz

000805867.td-b3lyp_6-31+g(d).qchem.inp (generated)

000805867.td-b3lyp_6-31+g(d).gjf (generated)

000805867.td-b3lyp_6-31+g(d).firefly.inp (generated)

000805867.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000805867.mol 000805867.PUBCHEM 000805867.mol (via Jmol)
000805885.b3lyp_6-31g(d).inp

000805885.b3lyp_6-31g(d).qchem.inp (generated)

000805885.b3lyp_6-31g(d).gjf (generated)

000805885.b3lyp_6-31g(d).firefly.inp (generated)

000805885.b3lyp_6-31g(d).smash.inp (generated)

000805885.b3lyp_6-31g(d).nwchem.inp (generated) 000805885.b3lyp_6-31g(d).log.xz 000805885.td-b3lyp_6-31g+(d).inp 000805885.td-b3lyp_6-31g+(d).log.xz

000805885.td-b3lyp_6-31+g(d).qchem.inp (generated)

000805885.td-b3lyp_6-31+g(d).gjf (generated)

000805885.td-b3lyp_6-31+g(d).firefly.inp (generated)

000805885.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000805885.mol 000805885.PUBCHEM 000805885.mol (via Jmol)
000805903.b3lyp_6-31g(d).inp

000805903.b3lyp_6-31g(d).qchem.inp (generated)

000805903.b3lyp_6-31g(d).gjf (generated)

000805903.b3lyp_6-31g(d).firefly.inp (generated)

000805903.b3lyp_6-31g(d).smash.inp (generated)

000805903.b3lyp_6-31g(d).nwchem.inp (generated) 000805903.b3lyp_6-31g(d).log.xz 000805903.mol 000805903.PUBCHEM 000805903.mol (via Jmol)
000805922.b3lyp_6-31g(d).inp

000805922.b3lyp_6-31g(d).qchem.inp (generated)

000805922.b3lyp_6-31g(d).gjf (generated)

000805922.b3lyp_6-31g(d).firefly.inp (generated)

000805922.b3lyp_6-31g(d).smash.inp (generated)

000805922.b3lyp_6-31g(d).nwchem.inp (generated) 000805922.b3lyp_6-31g(d).log.xz 000805922.td-b3lyp_6-31g+(d).inp 000805922.td-b3lyp_6-31g+(d).log.xz

000805922.td-b3lyp_6-31+g(d).qchem.inp (generated)

000805922.td-b3lyp_6-31+g(d).gjf (generated)

000805922.td-b3lyp_6-31+g(d).firefly.inp (generated)

000805922.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000805922.mol 000805922.PUBCHEM 000805922.mol (via Jmol)
000805948.b3lyp_6-31g(d).inp

000805948.b3lyp_6-31g(d).qchem.inp (generated)

000805948.b3lyp_6-31g(d).gjf (generated)

000805948.b3lyp_6-31g(d).firefly.inp (generated)

000805948.b3lyp_6-31g(d).smash.inp (generated)

000805948.b3lyp_6-31g(d).nwchem.inp (generated) 000805948.b3lyp_6-31g(d).log.xz 000805948.mol 000805948.PUBCHEM 000805948.mol (via Jmol)
000805949.b3lyp_6-31g(d).inp

000805949.b3lyp_6-31g(d).qchem.inp (generated)

000805949.b3lyp_6-31g(d).gjf (generated)

000805949.b3lyp_6-31g(d).firefly.inp (generated)

000805949.b3lyp_6-31g(d).smash.inp (generated)

000805949.b3lyp_6-31g(d).nwchem.inp (generated) 000805949.b3lyp_6-31g(d).log.xz 000805949.td-b3lyp_6-31g+(d).inp 000805949.td-b3lyp_6-31g+(d).log.xz

000805949.td-b3lyp_6-31+g(d).qchem.inp (generated)

000805949.td-b3lyp_6-31+g(d).gjf (generated)

000805949.td-b3lyp_6-31+g(d).firefly.inp (generated)

000805949.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000805949.mol 000805949.PUBCHEM 000805949.mol (via Jmol)
000805953.b3lyp_6-31g(d).inp

000805953.b3lyp_6-31g(d).qchem.inp (generated)

000805953.b3lyp_6-31g(d).gjf (generated)

000805953.b3lyp_6-31g(d).firefly.inp (generated)

000805953.b3lyp_6-31g(d).smash.inp (generated)

000805953.b3lyp_6-31g(d).nwchem.inp (generated) 000805953.b3lyp_6-31g(d).log.xz 000805953.mol 000805953.PUBCHEM 000805953.mol (via Jmol)
000805961.b3lyp_6-31g(d).inp

000805961.b3lyp_6-31g(d).qchem.inp (generated)

000805961.b3lyp_6-31g(d).gjf (generated)

000805961.b3lyp_6-31g(d).firefly.inp (generated)

000805961.b3lyp_6-31g(d).smash.inp (generated)

000805961.b3lyp_6-31g(d).nwchem.inp (generated) 000805961.b3lyp_6-31g(d).log.xz 000805961.td-b3lyp_6-31g+(d).inp 000805961.td-b3lyp_6-31g+(d).log.xz

000805961.td-b3lyp_6-31+g(d).qchem.inp (generated)

000805961.td-b3lyp_6-31+g(d).gjf (generated)

000805961.td-b3lyp_6-31+g(d).firefly.inp (generated)

000805961.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000805961.mol 000805961.PUBCHEM 000805961.mol (via Jmol)
000806102.b3lyp_6-31g(d).inp

000806102.b3lyp_6-31g(d).qchem.inp (generated)

000806102.b3lyp_6-31g(d).gjf (generated)

000806102.b3lyp_6-31g(d).firefly.inp (generated)

000806102.b3lyp_6-31g(d).smash.inp (generated)

000806102.b3lyp_6-31g(d).nwchem.inp (generated) 000806102.b3lyp_6-31g(d).log.xz 000806102.mol 000806102.PUBCHEM 000806102.mol (via Jmol)
000806105.b3lyp_6-31g(d).inp

000806105.b3lyp_6-31g(d).qchem.inp (generated)

000806105.b3lyp_6-31g(d).gjf (generated)

000806105.b3lyp_6-31g(d).firefly.inp (generated)

000806105.b3lyp_6-31g(d).smash.inp (generated)

000806105.b3lyp_6-31g(d).nwchem.inp (generated) 000806105.b3lyp_6-31g(d).log.xz 000806105.td-b3lyp_6-31g+(d).inp 000806105.td-b3lyp_6-31g+(d).log.xz

000806105.td-b3lyp_6-31+g(d).qchem.inp (generated)

000806105.td-b3lyp_6-31+g(d).gjf (generated)

000806105.td-b3lyp_6-31+g(d).firefly.inp (generated)

000806105.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000806105.mol 000806105.PUBCHEM 000806105.mol (via Jmol)
000806106.b3lyp_6-31g(d).inp

000806106.b3lyp_6-31g(d).qchem.inp (generated)

000806106.b3lyp_6-31g(d).gjf (generated)

000806106.b3lyp_6-31g(d).firefly.inp (generated)

000806106.b3lyp_6-31g(d).smash.inp (generated)

000806106.b3lyp_6-31g(d).nwchem.inp (generated) 000806106.b3lyp_6-31g(d).log.xz 000806106.td-b3lyp_6-31g+(d).inp 000806106.td-b3lyp_6-31g+(d).log.xz

000806106.td-b3lyp_6-31+g(d).qchem.inp (generated)

000806106.td-b3lyp_6-31+g(d).gjf (generated)

000806106.td-b3lyp_6-31+g(d).firefly.inp (generated)

000806106.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000806106.mol 000806106.PUBCHEM 000806106.mol (via Jmol)
000806116.b3lyp_6-31g(d).inp

000806116.b3lyp_6-31g(d).qchem.inp (generated)

000806116.b3lyp_6-31g(d).gjf (generated)

000806116.b3lyp_6-31g(d).firefly.inp (generated)

000806116.b3lyp_6-31g(d).smash.inp (generated)

000806116.b3lyp_6-31g(d).nwchem.inp (generated) 000806116.b3lyp_6-31g(d).log.xz 000806116.td-b3lyp_6-31g+(d).inp 000806116.td-b3lyp_6-31g+(d).log.xz

000806116.td-b3lyp_6-31+g(d).qchem.inp (generated)

000806116.td-b3lyp_6-31+g(d).gjf (generated)

000806116.td-b3lyp_6-31+g(d).firefly.inp (generated)

000806116.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000806116.mol 000806116.PUBCHEM 000806116.mol (via Jmol)
000806125.b3lyp_6-31g(d).inp

000806125.b3lyp_6-31g(d).qchem.inp (generated)

000806125.b3lyp_6-31g(d).gjf (generated)

000806125.b3lyp_6-31g(d).firefly.inp (generated)

000806125.b3lyp_6-31g(d).smash.inp (generated)

000806125.b3lyp_6-31g(d).nwchem.inp (generated) 000806125.b3lyp_6-31g(d).log.xz 000806125.td-b3lyp_6-31g+(d).inp 000806125.td-b3lyp_6-31g+(d).log.xz

000806125.td-b3lyp_6-31+g(d).qchem.inp (generated)

000806125.td-b3lyp_6-31+g(d).gjf (generated)

000806125.td-b3lyp_6-31+g(d).firefly.inp (generated)

000806125.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000806125.mol 000806125.PUBCHEM 000806125.mol (via Jmol)
000806134.b3lyp_6-31g(d).inp

000806134.b3lyp_6-31g(d).qchem.inp (generated)

000806134.b3lyp_6-31g(d).gjf (generated)

000806134.b3lyp_6-31g(d).firefly.inp (generated)

000806134.b3lyp_6-31g(d).smash.inp (generated)

000806134.b3lyp_6-31g(d).nwchem.inp (generated) 000806134.b3lyp_6-31g(d).log.xz 000806134.td-b3lyp_6-31g+(d).inp 000806134.td-b3lyp_6-31g+(d).log.xz

000806134.td-b3lyp_6-31+g(d).qchem.inp (generated)

000806134.td-b3lyp_6-31+g(d).gjf (generated)

000806134.td-b3lyp_6-31+g(d).firefly.inp (generated)

000806134.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000806134.mol 000806134.PUBCHEM 000806134.mol (via Jmol)
000806143.b3lyp_6-31g(d).inp

000806143.b3lyp_6-31g(d).qchem.inp (generated)

000806143.b3lyp_6-31g(d).gjf (generated)

000806143.b3lyp_6-31g(d).firefly.inp (generated)

000806143.b3lyp_6-31g(d).smash.inp (generated)

000806143.b3lyp_6-31g(d).nwchem.inp (generated) 000806143.b3lyp_6-31g(d).log.xz 000806143.mol 000806143.PUBCHEM 000806143.mol (via Jmol)
000806145.b3lyp_6-31g(d).inp

000806145.b3lyp_6-31g(d).qchem.inp (generated)

000806145.b3lyp_6-31g(d).gjf (generated)

000806145.b3lyp_6-31g(d).firefly.inp (generated)

000806145.b3lyp_6-31g(d).smash.inp (generated)

000806145.b3lyp_6-31g(d).nwchem.inp (generated) 000806145.b3lyp_6-31g(d).log.xz 000806145.mol 000806145.PUBCHEM 000806145.mol (via Jmol)
000806154.b3lyp_6-31g(d).inp

000806154.b3lyp_6-31g(d).qchem.inp (generated)

000806154.b3lyp_6-31g(d).gjf (generated)

000806154.b3lyp_6-31g(d).firefly.inp (generated)

000806154.b3lyp_6-31g(d).smash.inp (generated)

000806154.b3lyp_6-31g(d).nwchem.inp (generated) 000806154.b3lyp_6-31g(d).log.xz 000806154.mol 000806154.PUBCHEM 000806154.mol (via Jmol)
000806167.b3lyp_6-31g(d).inp

000806167.b3lyp_6-31g(d).qchem.inp (generated)

000806167.b3lyp_6-31g(d).gjf (generated)

000806167.b3lyp_6-31g(d).firefly.inp (generated)

000806167.b3lyp_6-31g(d).smash.inp (generated)

000806167.b3lyp_6-31g(d).nwchem.inp (generated) 000806167.b3lyp_6-31g(d).log.xz 000806167.td-b3lyp_6-31g+(d).inp 000806167.td-b3lyp_6-31g+(d).log.xz

000806167.td-b3lyp_6-31+g(d).qchem.inp (generated)

000806167.td-b3lyp_6-31+g(d).gjf (generated)

000806167.td-b3lyp_6-31+g(d).firefly.inp (generated)

000806167.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000806167.mol 000806167.PUBCHEM 000806167.mol (via Jmol)
000806174.b3lyp_6-31g(d).inp

000806174.b3lyp_6-31g(d).qchem.inp (generated)

000806174.b3lyp_6-31g(d).gjf (generated)

000806174.b3lyp_6-31g(d).firefly.inp (generated)

000806174.b3lyp_6-31g(d).smash.inp (generated)

000806174.b3lyp_6-31g(d).nwchem.inp (generated) 000806174.b3lyp_6-31g(d).log.xz 000806174.td-b3lyp_6-31g+(d).inp 000806174.td-b3lyp_6-31g+(d).log.xz

000806174.td-b3lyp_6-31+g(d).qchem.inp (generated)

000806174.td-b3lyp_6-31+g(d).gjf (generated)

000806174.td-b3lyp_6-31+g(d).firefly.inp (generated)

000806174.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000806174.mol 000806174.PUBCHEM 000806174.mol (via Jmol)
000806215.b3lyp_6-31g(d).inp

000806215.b3lyp_6-31g(d).qchem.inp (generated)

000806215.b3lyp_6-31g(d).gjf (generated)

000806215.b3lyp_6-31g(d).firefly.inp (generated)

000806215.b3lyp_6-31g(d).smash.inp (generated)

000806215.b3lyp_6-31g(d).nwchem.inp (generated) 000806215.b3lyp_6-31g(d).log.xz 000806215.td-b3lyp_6-31g+(d).inp 000806215.td-b3lyp_6-31g+(d).log.xz

000806215.td-b3lyp_6-31+g(d).qchem.inp (generated)

000806215.td-b3lyp_6-31+g(d).gjf (generated)

000806215.td-b3lyp_6-31+g(d).firefly.inp (generated)

000806215.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000806215.mol 000806215.PUBCHEM 000806215.mol (via Jmol)
000806217.b3lyp_6-31g(d).inp

000806217.b3lyp_6-31g(d).qchem.inp (generated)

000806217.b3lyp_6-31g(d).gjf (generated)

000806217.b3lyp_6-31g(d).firefly.inp (generated)

000806217.b3lyp_6-31g(d).smash.inp (generated)

000806217.b3lyp_6-31g(d).nwchem.inp (generated) 000806217.b3lyp_6-31g(d).log.xz 000806217.td-b3lyp_6-31g+(d).inp 000806217.td-b3lyp_6-31g+(d).log.xz

000806217.td-b3lyp_6-31+g(d).qchem.inp (generated)

000806217.td-b3lyp_6-31+g(d).gjf (generated)

000806217.td-b3lyp_6-31+g(d).firefly.inp (generated)

000806217.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000806217.mol 000806217.PUBCHEM 000806217.mol (via Jmol)
000806235.b3lyp_6-31g(d).inp

000806235.b3lyp_6-31g(d).qchem.inp (generated)

000806235.b3lyp_6-31g(d).gjf (generated)

000806235.b3lyp_6-31g(d).firefly.inp (generated)

000806235.b3lyp_6-31g(d).smash.inp (generated)

000806235.b3lyp_6-31g(d).nwchem.inp (generated) 000806235.b3lyp_6-31g(d).log.xz 000806235.mol 000806235.PUBCHEM 000806235.mol (via Jmol)
000806238.b3lyp_6-31g(d).inp

000806238.b3lyp_6-31g(d).qchem.inp (generated)

000806238.b3lyp_6-31g(d).gjf (generated)

000806238.b3lyp_6-31g(d).firefly.inp (generated)

000806238.b3lyp_6-31g(d).smash.inp (generated)

000806238.b3lyp_6-31g(d).nwchem.inp (generated) 000806238.b3lyp_6-31g(d).log.xz 000806238.td-b3lyp_6-31g+(d).inp 000806238.td-b3lyp_6-31g+(d).log.xz

000806238.td-b3lyp_6-31+g(d).qchem.inp (generated)

000806238.td-b3lyp_6-31+g(d).gjf (generated)

000806238.td-b3lyp_6-31+g(d).firefly.inp (generated)

000806238.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000806238.mol 000806238.PUBCHEM 000806238.mol (via Jmol)
000806239.b3lyp_6-31g(d).inp

000806239.b3lyp_6-31g(d).qchem.inp (generated)

000806239.b3lyp_6-31g(d).gjf (generated)

000806239.b3lyp_6-31g(d).firefly.inp (generated)

000806239.b3lyp_6-31g(d).smash.inp (generated)

000806239.b3lyp_6-31g(d).nwchem.inp (generated) 000806239.b3lyp_6-31g(d).log.xz 000806239.td-b3lyp_6-31g+(d).inp 000806239.td-b3lyp_6-31g+(d).log.xz

000806239.td-b3lyp_6-31+g(d).qchem.inp (generated)

000806239.td-b3lyp_6-31+g(d).gjf (generated)

000806239.td-b3lyp_6-31+g(d).firefly.inp (generated)

000806239.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000806239.mol 000806239.PUBCHEM 000806239.mol (via Jmol)
000806275.b3lyp_6-31g(d).inp

000806275.b3lyp_6-31g(d).qchem.inp (generated)

000806275.b3lyp_6-31g(d).gjf (generated)

000806275.b3lyp_6-31g(d).firefly.inp (generated)

000806275.b3lyp_6-31g(d).smash.inp (generated)

000806275.b3lyp_6-31g(d).nwchem.inp (generated) 000806275.b3lyp_6-31g(d).log.xz 000806275.mol 000806275.PUBCHEM 000806275.mol (via Jmol)
000806286.b3lyp_6-31g(d).inp

000806286.b3lyp_6-31g(d).qchem.inp (generated)

000806286.b3lyp_6-31g(d).gjf (generated)

000806286.b3lyp_6-31g(d).firefly.inp (generated)

000806286.b3lyp_6-31g(d).smash.inp (generated)

000806286.b3lyp_6-31g(d).nwchem.inp (generated) 000806286.b3lyp_6-31g(d).log.xz 000806286.td-b3lyp_6-31g+(d).inp 000806286.td-b3lyp_6-31g+(d).log.xz

000806286.td-b3lyp_6-31+g(d).qchem.inp (generated)

000806286.td-b3lyp_6-31+g(d).gjf (generated)

000806286.td-b3lyp_6-31+g(d).firefly.inp (generated)

000806286.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000806286.mol 000806286.PUBCHEM 000806286.mol (via Jmol)
000806287.b3lyp_6-31g(d).inp

000806287.b3lyp_6-31g(d).qchem.inp (generated)

000806287.b3lyp_6-31g(d).gjf (generated)

000806287.b3lyp_6-31g(d).firefly.inp (generated)

000806287.b3lyp_6-31g(d).smash.inp (generated)

000806287.b3lyp_6-31g(d).nwchem.inp (generated) 000806287.b3lyp_6-31g(d).log.xz 000806287.td-b3lyp_6-31g+(d).inp 000806287.td-b3lyp_6-31g+(d).log.xz

000806287.td-b3lyp_6-31+g(d).qchem.inp (generated)

000806287.td-b3lyp_6-31+g(d).gjf (generated)

000806287.td-b3lyp_6-31+g(d).firefly.inp (generated)

000806287.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000806287.mol 000806287.PUBCHEM 000806287.mol (via Jmol)
000806289.b3lyp_6-31g(d).inp

000806289.b3lyp_6-31g(d).qchem.inp (generated)

000806289.b3lyp_6-31g(d).gjf (generated)

000806289.b3lyp_6-31g(d).firefly.inp (generated)

000806289.b3lyp_6-31g(d).smash.inp (generated)

000806289.b3lyp_6-31g(d).nwchem.inp (generated) 000806289.b3lyp_6-31g(d).log.xz 000806289.mol 000806289.PUBCHEM 000806289.mol (via Jmol)
000806301.b3lyp_6-31g(d).inp

000806301.b3lyp_6-31g(d).qchem.inp (generated)

000806301.b3lyp_6-31g(d).gjf (generated)

000806301.b3lyp_6-31g(d).firefly.inp (generated)

000806301.b3lyp_6-31g(d).smash.inp (generated)

000806301.b3lyp_6-31g(d).nwchem.inp (generated) 000806301.b3lyp_6-31g(d).log.xz 000806301.td-b3lyp_6-31g+(d).inp 000806301.td-b3lyp_6-31g+(d).log.xz

000806301.td-b3lyp_6-31+g(d).qchem.inp (generated)

000806301.td-b3lyp_6-31+g(d).gjf (generated)

000806301.td-b3lyp_6-31+g(d).firefly.inp (generated)

000806301.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000806301.mol 000806301.PUBCHEM 000806301.mol (via Jmol)
000806303.b3lyp_6-31g(d).inp

000806303.b3lyp_6-31g(d).qchem.inp (generated)

000806303.b3lyp_6-31g(d).gjf (generated)

000806303.b3lyp_6-31g(d).firefly.inp (generated)

000806303.b3lyp_6-31g(d).smash.inp (generated)

000806303.b3lyp_6-31g(d).nwchem.inp (generated) 000806303.b3lyp_6-31g(d).log.xz 000806303.td-b3lyp_6-31g+(d).inp 000806303.td-b3lyp_6-31g+(d).log.xz

000806303.td-b3lyp_6-31+g(d).qchem.inp (generated)

000806303.td-b3lyp_6-31+g(d).gjf (generated)

000806303.td-b3lyp_6-31+g(d).firefly.inp (generated)

000806303.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000806303.mol 000806303.PUBCHEM 000806303.mol (via Jmol)
000806386.b3lyp_6-31g(d).inp

000806386.b3lyp_6-31g(d).qchem.inp (generated)

000806386.b3lyp_6-31g(d).gjf (generated)

000806386.b3lyp_6-31g(d).firefly.inp (generated)

000806386.b3lyp_6-31g(d).smash.inp (generated)

000806386.b3lyp_6-31g(d).nwchem.inp (generated) 000806386.b3lyp_6-31g(d).log.xz 000806386.mol 000806386.PUBCHEM 000806386.mol (via Jmol)
000806387.b3lyp_6-31g(d).inp

000806387.b3lyp_6-31g(d).qchem.inp (generated)

000806387.b3lyp_6-31g(d).gjf (generated)

000806387.b3lyp_6-31g(d).firefly.inp (generated)

000806387.b3lyp_6-31g(d).smash.inp (generated)

000806387.b3lyp_6-31g(d).nwchem.inp (generated) 000806387.b3lyp_6-31g(d).log.xz 000806387.mol 000806387.PUBCHEM 000806387.mol (via Jmol)
000806406.b3lyp_6-31g(d).inp

000806406.b3lyp_6-31g(d).qchem.inp (generated)

000806406.b3lyp_6-31g(d).gjf (generated)

000806406.b3lyp_6-31g(d).firefly.inp (generated)

000806406.b3lyp_6-31g(d).smash.inp (generated)

000806406.b3lyp_6-31g(d).nwchem.inp (generated) 000806406.b3lyp_6-31g(d).log.xz 000806406.td-b3lyp_6-31g+(d).inp 000806406.td-b3lyp_6-31g+(d).log.xz

000806406.td-b3lyp_6-31+g(d).qchem.inp (generated)

000806406.td-b3lyp_6-31+g(d).gjf (generated)

000806406.td-b3lyp_6-31+g(d).firefly.inp (generated)

000806406.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000806406.mol 000806406.PUBCHEM 000806406.mol (via Jmol)
000806421.b3lyp_6-31g(d).inp

000806421.b3lyp_6-31g(d).qchem.inp (generated)

000806421.b3lyp_6-31g(d).gjf (generated)

000806421.b3lyp_6-31g(d).firefly.inp (generated)

000806421.b3lyp_6-31g(d).smash.inp (generated)

000806421.b3lyp_6-31g(d).nwchem.inp (generated) 000806421.b3lyp_6-31g(d).log.xz 000806421.td-b3lyp_6-31g+(d).inp 000806421.td-b3lyp_6-31g+(d).log.xz

000806421.td-b3lyp_6-31+g(d).qchem.inp (generated)

000806421.td-b3lyp_6-31+g(d).gjf (generated)

000806421.td-b3lyp_6-31+g(d).firefly.inp (generated)

000806421.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000806421.mol 000806421.PUBCHEM 000806421.mol (via Jmol)
000806422.b3lyp_6-31g(d).inp

000806422.b3lyp_6-31g(d).qchem.inp (generated)

000806422.b3lyp_6-31g(d).gjf (generated)

000806422.b3lyp_6-31g(d).firefly.inp (generated)

000806422.b3lyp_6-31g(d).smash.inp (generated)

000806422.b3lyp_6-31g(d).nwchem.inp (generated) 000806422.b3lyp_6-31g(d).log.xz 000806422.td-b3lyp_6-31g+(d).inp 000806422.td-b3lyp_6-31g+(d).log.xz

000806422.td-b3lyp_6-31+g(d).qchem.inp (generated)

000806422.td-b3lyp_6-31+g(d).gjf (generated)

000806422.td-b3lyp_6-31+g(d).firefly.inp (generated)

000806422.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000806422.mol 000806422.PUBCHEM 000806422.mol (via Jmol)
000806423.b3lyp_6-31g(d).inp

000806423.b3lyp_6-31g(d).qchem.inp (generated)

000806423.b3lyp_6-31g(d).gjf (generated)

000806423.b3lyp_6-31g(d).firefly.inp (generated)

000806423.b3lyp_6-31g(d).smash.inp (generated)

000806423.b3lyp_6-31g(d).nwchem.inp (generated) 000806423.b3lyp_6-31g(d).log.xz 000806423.td-b3lyp_6-31g+(d).inp 000806423.td-b3lyp_6-31g+(d).log.xz

000806423.td-b3lyp_6-31+g(d).qchem.inp (generated)

000806423.td-b3lyp_6-31+g(d).gjf (generated)

000806423.td-b3lyp_6-31+g(d).firefly.inp (generated)

000806423.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000806423.mol 000806423.PUBCHEM 000806423.mol (via Jmol)
000806425.b3lyp_6-31g(d).inp

000806425.b3lyp_6-31g(d).qchem.inp (generated)

000806425.b3lyp_6-31g(d).gjf (generated)

000806425.b3lyp_6-31g(d).firefly.inp (generated)

000806425.b3lyp_6-31g(d).smash.inp (generated)

000806425.b3lyp_6-31g(d).nwchem.inp (generated) 000806425.b3lyp_6-31g(d).log.xz 000806425.td-b3lyp_6-31g+(d).inp 000806425.td-b3lyp_6-31g+(d).log.xz

000806425.td-b3lyp_6-31+g(d).qchem.inp (generated)

000806425.td-b3lyp_6-31+g(d).gjf (generated)

000806425.td-b3lyp_6-31+g(d).firefly.inp (generated)

000806425.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000806425.mol 000806425.PUBCHEM 000806425.mol (via Jmol)
000806433.b3lyp_6-31g(d).inp

000806433.b3lyp_6-31g(d).qchem.inp (generated)

000806433.b3lyp_6-31g(d).gjf (generated)

000806433.b3lyp_6-31g(d).firefly.inp (generated)

000806433.b3lyp_6-31g(d).smash.inp (generated)

000806433.b3lyp_6-31g(d).nwchem.inp (generated) 000806433.b3lyp_6-31g(d).log.xz 000806433.td-b3lyp_6-31g+(d).inp 000806433.td-b3lyp_6-31g+(d).log.xz

000806433.td-b3lyp_6-31+g(d).qchem.inp (generated)

000806433.td-b3lyp_6-31+g(d).gjf (generated)

000806433.td-b3lyp_6-31+g(d).firefly.inp (generated)

000806433.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000806433.mol 000806433.PUBCHEM 000806433.mol (via Jmol)
000806436.b3lyp_6-31g(d).inp

000806436.b3lyp_6-31g(d).qchem.inp (generated)

000806436.b3lyp_6-31g(d).gjf (generated)

000806436.b3lyp_6-31g(d).firefly.inp (generated)

000806436.b3lyp_6-31g(d).smash.inp (generated)

000806436.b3lyp_6-31g(d).nwchem.inp (generated) 000806436.b3lyp_6-31g(d).log.xz 000806436.td-b3lyp_6-31g+(d).inp 000806436.td-b3lyp_6-31g+(d).log.xz

000806436.td-b3lyp_6-31+g(d).qchem.inp (generated)

000806436.td-b3lyp_6-31+g(d).gjf (generated)

000806436.td-b3lyp_6-31+g(d).firefly.inp (generated)

000806436.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000806436.mol 000806436.PUBCHEM 000806436.mol (via Jmol)
000806438.b3lyp_6-31g(d).inp

000806438.b3lyp_6-31g(d).qchem.inp (generated)

000806438.b3lyp_6-31g(d).gjf (generated)

000806438.b3lyp_6-31g(d).firefly.inp (generated)

000806438.b3lyp_6-31g(d).smash.inp (generated)

000806438.b3lyp_6-31g(d).nwchem.inp (generated) 000806438.b3lyp_6-31g(d).log.xz 000806438.td-b3lyp_6-31g+(d).inp 000806438.td-b3lyp_6-31g+(d).log.xz

000806438.td-b3lyp_6-31+g(d).qchem.inp (generated)

000806438.td-b3lyp_6-31+g(d).gjf (generated)

000806438.td-b3lyp_6-31+g(d).firefly.inp (generated)

000806438.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000806438.mol 000806438.PUBCHEM 000806438.mol (via Jmol)
000806439.b3lyp_6-31g(d).inp

000806439.b3lyp_6-31g(d).qchem.inp (generated)

000806439.b3lyp_6-31g(d).gjf (generated)

000806439.b3lyp_6-31g(d).firefly.inp (generated)

000806439.b3lyp_6-31g(d).smash.inp (generated)

000806439.b3lyp_6-31g(d).nwchem.inp (generated) 000806439.b3lyp_6-31g(d).log.xz 000806439.td-b3lyp_6-31g+(d).inp 000806439.td-b3lyp_6-31g+(d).log.xz

000806439.td-b3lyp_6-31+g(d).qchem.inp (generated)

000806439.td-b3lyp_6-31+g(d).gjf (generated)

000806439.td-b3lyp_6-31+g(d).firefly.inp (generated)

000806439.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000806439.mol 000806439.PUBCHEM 000806439.mol (via Jmol)
000806441.b3lyp_6-31g(d).inp

000806441.b3lyp_6-31g(d).qchem.inp (generated)

000806441.b3lyp_6-31g(d).gjf (generated)

000806441.b3lyp_6-31g(d).firefly.inp (generated)

000806441.b3lyp_6-31g(d).smash.inp (generated)

000806441.b3lyp_6-31g(d).nwchem.inp (generated) 000806441.b3lyp_6-31g(d).log.xz 000806441.td-b3lyp_6-31g+(d).inp 000806441.td-b3lyp_6-31g+(d).log.xz

000806441.td-b3lyp_6-31+g(d).qchem.inp (generated)

000806441.td-b3lyp_6-31+g(d).gjf (generated)

000806441.td-b3lyp_6-31+g(d).firefly.inp (generated)

000806441.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000806441.mol 000806441.PUBCHEM 000806441.mol (via Jmol)
000806554.b3lyp_6-31g(d).inp

000806554.b3lyp_6-31g(d).qchem.inp (generated)

000806554.b3lyp_6-31g(d).gjf (generated)

000806554.b3lyp_6-31g(d).firefly.inp (generated)

000806554.b3lyp_6-31g(d).smash.inp (generated)

000806554.b3lyp_6-31g(d).nwchem.inp (generated) 000806554.b3lyp_6-31g(d).log.xz 000806554.td-b3lyp_6-31g+(d).inp 000806554.td-b3lyp_6-31g+(d).log.xz

000806554.td-b3lyp_6-31+g(d).qchem.inp (generated)

000806554.td-b3lyp_6-31+g(d).gjf (generated)

000806554.td-b3lyp_6-31+g(d).firefly.inp (generated)

000806554.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000806554.mol 000806554.PUBCHEM 000806554.mol (via Jmol)
000806563.b3lyp_6-31g(d).inp

000806563.b3lyp_6-31g(d).qchem.inp (generated)

000806563.b3lyp_6-31g(d).gjf (generated)

000806563.b3lyp_6-31g(d).firefly.inp (generated)

000806563.b3lyp_6-31g(d).smash.inp (generated)

000806563.b3lyp_6-31g(d).nwchem.inp (generated) 000806563.b3lyp_6-31g(d).log.xz 000806563.td-b3lyp_6-31g+(d).inp 000806563.td-b3lyp_6-31g+(d).log.xz

000806563.td-b3lyp_6-31+g(d).qchem.inp (generated)

000806563.td-b3lyp_6-31+g(d).gjf (generated)

000806563.td-b3lyp_6-31+g(d).firefly.inp (generated)

000806563.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000806563.mol 000806563.PUBCHEM 000806563.mol (via Jmol)
000806595.b3lyp_6-31g(d).inp

000806595.b3lyp_6-31g(d).qchem.inp (generated)

000806595.b3lyp_6-31g(d).gjf (generated)

000806595.b3lyp_6-31g(d).firefly.inp (generated)

000806595.b3lyp_6-31g(d).smash.inp (generated)

000806595.b3lyp_6-31g(d).nwchem.inp (generated) 000806595.b3lyp_6-31g(d).log.xz 000806595.td-b3lyp_6-31g+(d).inp 000806595.td-b3lyp_6-31g+(d).log.xz

000806595.td-b3lyp_6-31+g(d).qchem.inp (generated)

000806595.td-b3lyp_6-31+g(d).gjf (generated)

000806595.td-b3lyp_6-31+g(d).firefly.inp (generated)

000806595.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000806595.mol 000806595.PUBCHEM 000806595.mol (via Jmol)
000806605.b3lyp_6-31g(d).inp

000806605.b3lyp_6-31g(d).qchem.inp (generated)

000806605.b3lyp_6-31g(d).gjf (generated)

000806605.b3lyp_6-31g(d).firefly.inp (generated)

000806605.b3lyp_6-31g(d).smash.inp (generated)

000806605.b3lyp_6-31g(d).nwchem.inp (generated) 000806605.b3lyp_6-31g(d).log.xz 000806605.mol 000806605.PUBCHEM 000806605.mol (via Jmol)
000806660.b3lyp_6-31g(d).inp

000806660.b3lyp_6-31g(d).qchem.inp (generated)

000806660.b3lyp_6-31g(d).gjf (generated)

000806660.b3lyp_6-31g(d).firefly.inp (generated)

000806660.b3lyp_6-31g(d).smash.inp (generated)

000806660.b3lyp_6-31g(d).nwchem.inp (generated) 000806660.b3lyp_6-31g(d).log.xz 000806660.mol 000806660.PUBCHEM 000806660.mol (via Jmol)
000806688.b3lyp_6-31g(d).inp

000806688.b3lyp_6-31g(d).qchem.inp (generated)

000806688.b3lyp_6-31g(d).gjf (generated)

000806688.b3lyp_6-31g(d).firefly.inp (generated)

000806688.b3lyp_6-31g(d).smash.inp (generated)

000806688.b3lyp_6-31g(d).nwchem.inp (generated) 000806688.b3lyp_6-31g(d).log.xz 000806688.td-b3lyp_6-31g+(d).inp 000806688.td-b3lyp_6-31g+(d).log.xz

000806688.td-b3lyp_6-31+g(d).qchem.inp (generated)

000806688.td-b3lyp_6-31+g(d).gjf (generated)

000806688.td-b3lyp_6-31+g(d).firefly.inp (generated)

000806688.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000806688.mol 000806688.PUBCHEM 000806688.mol (via Jmol)
000806692.b3lyp_6-31g(d).inp

000806692.b3lyp_6-31g(d).qchem.inp (generated)

000806692.b3lyp_6-31g(d).gjf (generated)

000806692.b3lyp_6-31g(d).firefly.inp (generated)

000806692.b3lyp_6-31g(d).smash.inp (generated)

000806692.b3lyp_6-31g(d).nwchem.inp (generated) 000806692.b3lyp_6-31g(d).log.xz 000806692.td-b3lyp_6-31g+(d).inp 000806692.td-b3lyp_6-31g+(d).log.xz

000806692.td-b3lyp_6-31+g(d).qchem.inp (generated)

000806692.td-b3lyp_6-31+g(d).gjf (generated)

000806692.td-b3lyp_6-31+g(d).firefly.inp (generated)

000806692.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000806692.mol 000806692.PUBCHEM 000806692.mol (via Jmol)
000806730.b3lyp_6-31g(d).inp

000806730.b3lyp_6-31g(d).qchem.inp (generated)

000806730.b3lyp_6-31g(d).gjf (generated)

000806730.b3lyp_6-31g(d).firefly.inp (generated)

000806730.b3lyp_6-31g(d).smash.inp (generated)

000806730.b3lyp_6-31g(d).nwchem.inp (generated) 000806730.b3lyp_6-31g(d).log.xz 000806730.td-b3lyp_6-31g+(d).inp 000806730.td-b3lyp_6-31g+(d).log.xz

000806730.td-b3lyp_6-31+g(d).qchem.inp (generated)

000806730.td-b3lyp_6-31+g(d).gjf (generated)

000806730.td-b3lyp_6-31+g(d).firefly.inp (generated)

000806730.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000806730.mol 000806730.PUBCHEM 000806730.mol (via Jmol)
000806744.b3lyp_6-31g(d).inp

000806744.b3lyp_6-31g(d).qchem.inp (generated)

000806744.b3lyp_6-31g(d).gjf (generated)

000806744.b3lyp_6-31g(d).firefly.inp (generated)

000806744.b3lyp_6-31g(d).smash.inp (generated)

000806744.b3lyp_6-31g(d).nwchem.inp (generated) 000806744.b3lyp_6-31g(d).log.xz 000806744.td-b3lyp_6-31g+(d).inp 000806744.td-b3lyp_6-31g+(d).log.xz

000806744.td-b3lyp_6-31+g(d).qchem.inp (generated)

000806744.td-b3lyp_6-31+g(d).gjf (generated)

000806744.td-b3lyp_6-31+g(d).firefly.inp (generated)

000806744.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000806744.mol 000806744.PUBCHEM 000806744.mol (via Jmol)
000806780.b3lyp_6-31g(d).inp

000806780.b3lyp_6-31g(d).qchem.inp (generated)

000806780.b3lyp_6-31g(d).gjf (generated)

000806780.b3lyp_6-31g(d).firefly.inp (generated)

000806780.b3lyp_6-31g(d).smash.inp (generated)

000806780.b3lyp_6-31g(d).nwchem.inp (generated) 000806780.b3lyp_6-31g(d).log.xz 000806780.mol 000806780.PUBCHEM 000806780.mol (via Jmol)
000806782.b3lyp_6-31g(d).inp

000806782.b3lyp_6-31g(d).qchem.inp (generated)

000806782.b3lyp_6-31g(d).gjf (generated)

000806782.b3lyp_6-31g(d).firefly.inp (generated)

000806782.b3lyp_6-31g(d).smash.inp (generated)

000806782.b3lyp_6-31g(d).nwchem.inp (generated) 000806782.b3lyp_6-31g(d).log.xz 000806782.mol 000806782.PUBCHEM 000806782.mol (via Jmol)
000806790.b3lyp_6-31g(d).inp

000806790.b3lyp_6-31g(d).qchem.inp (generated)

000806790.b3lyp_6-31g(d).gjf (generated)

000806790.b3lyp_6-31g(d).firefly.inp (generated)

000806790.b3lyp_6-31g(d).smash.inp (generated)

000806790.b3lyp_6-31g(d).nwchem.inp (generated) 000806790.b3lyp_6-31g(d).log.xz 000806790.td-b3lyp_6-31g+(d).inp 000806790.td-b3lyp_6-31g+(d).log.xz

000806790.td-b3lyp_6-31+g(d).qchem.inp (generated)

000806790.td-b3lyp_6-31+g(d).gjf (generated)

000806790.td-b3lyp_6-31+g(d).firefly.inp (generated)

000806790.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000806790.mol 000806790.PUBCHEM 000806790.mol (via Jmol)
000806820.b3lyp_6-31g(d).inp

000806820.b3lyp_6-31g(d).qchem.inp (generated)

000806820.b3lyp_6-31g(d).gjf (generated)

000806820.b3lyp_6-31g(d).firefly.inp (generated)

000806820.b3lyp_6-31g(d).smash.inp (generated)

000806820.b3lyp_6-31g(d).nwchem.inp (generated) 000806820.b3lyp_6-31g(d).log.xz 000806820.td-b3lyp_6-31g+(d).inp 000806820.td-b3lyp_6-31g+(d).log.xz

000806820.td-b3lyp_6-31+g(d).qchem.inp (generated)

000806820.td-b3lyp_6-31+g(d).gjf (generated)

000806820.td-b3lyp_6-31+g(d).firefly.inp (generated)

000806820.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000806820.mol 000806820.PUBCHEM 000806820.mol (via Jmol)
000806827.b3lyp_6-31g(d).inp

000806827.b3lyp_6-31g(d).qchem.inp (generated)

000806827.b3lyp_6-31g(d).gjf (generated)

000806827.b3lyp_6-31g(d).firefly.inp (generated)

000806827.b3lyp_6-31g(d).smash.inp (generated)

000806827.b3lyp_6-31g(d).nwchem.inp (generated) 000806827.b3lyp_6-31g(d).log.xz 000806827.td-b3lyp_6-31g+(d).inp 000806827.td-b3lyp_6-31g+(d).log.xz

000806827.td-b3lyp_6-31+g(d).qchem.inp (generated)

000806827.td-b3lyp_6-31+g(d).gjf (generated)

000806827.td-b3lyp_6-31+g(d).firefly.inp (generated)

000806827.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000806827.mol 000806827.PUBCHEM 000806827.mol (via Jmol)
000806829.b3lyp_6-31g(d).inp

000806829.b3lyp_6-31g(d).qchem.inp (generated)

000806829.b3lyp_6-31g(d).gjf (generated)

000806829.b3lyp_6-31g(d).firefly.inp (generated)

000806829.b3lyp_6-31g(d).smash.inp (generated)

000806829.b3lyp_6-31g(d).nwchem.inp (generated) 000806829.b3lyp_6-31g(d).log.xz 000806829.td-b3lyp_6-31g+(d).inp 000806829.td-b3lyp_6-31g+(d).log.xz

000806829.td-b3lyp_6-31+g(d).qchem.inp (generated)

000806829.td-b3lyp_6-31+g(d).gjf (generated)

000806829.td-b3lyp_6-31+g(d).firefly.inp (generated)

000806829.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000806829.mol 000806829.PUBCHEM 000806829.mol (via Jmol)
000806868.b3lyp_6-31g(d).inp

000806868.b3lyp_6-31g(d).qchem.inp (generated)

000806868.b3lyp_6-31g(d).gjf (generated)

000806868.b3lyp_6-31g(d).firefly.inp (generated)

000806868.b3lyp_6-31g(d).smash.inp (generated)

000806868.b3lyp_6-31g(d).nwchem.inp (generated) 000806868.b3lyp_6-31g(d).log.xz 000806868.mol 000806868.PUBCHEM 000806868.mol (via Jmol)
000806872.b3lyp_6-31g(d).inp

000806872.b3lyp_6-31g(d).qchem.inp (generated)

000806872.b3lyp_6-31g(d).gjf (generated)

000806872.b3lyp_6-31g(d).firefly.inp (generated)

000806872.b3lyp_6-31g(d).smash.inp (generated)

000806872.b3lyp_6-31g(d).nwchem.inp (generated) 000806872.b3lyp_6-31g(d).log.xz 000806872.mol 000806872.PUBCHEM 000806872.mol (via Jmol)
000806876.b3lyp_6-31g(d).inp

000806876.b3lyp_6-31g(d).qchem.inp (generated)

000806876.b3lyp_6-31g(d).gjf (generated)

000806876.b3lyp_6-31g(d).firefly.inp (generated)

000806876.b3lyp_6-31g(d).smash.inp (generated)

000806876.b3lyp_6-31g(d).nwchem.inp (generated) 000806876.b3lyp_6-31g(d).log.xz 000806876.td-b3lyp_6-31g+(d).inp 000806876.td-b3lyp_6-31g+(d).log.xz

000806876.td-b3lyp_6-31+g(d).qchem.inp (generated)

000806876.td-b3lyp_6-31+g(d).gjf (generated)

000806876.td-b3lyp_6-31+g(d).firefly.inp (generated)

000806876.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000806876.mol 000806876.PUBCHEM 000806876.mol (via Jmol)
000806880.b3lyp_6-31g(d).inp

000806880.b3lyp_6-31g(d).qchem.inp (generated)

000806880.b3lyp_6-31g(d).gjf (generated)

000806880.b3lyp_6-31g(d).firefly.inp (generated)

000806880.b3lyp_6-31g(d).smash.inp (generated)

000806880.b3lyp_6-31g(d).nwchem.inp (generated) 000806880.b3lyp_6-31g(d).log.xz 000806880.mol 000806880.PUBCHEM 000806880.mol (via Jmol)
000806882.b3lyp_6-31g(d).inp

000806882.b3lyp_6-31g(d).qchem.inp (generated)

000806882.b3lyp_6-31g(d).gjf (generated)

000806882.b3lyp_6-31g(d).firefly.inp (generated)

000806882.b3lyp_6-31g(d).smash.inp (generated)

000806882.b3lyp_6-31g(d).nwchem.inp (generated) 000806882.b3lyp_6-31g(d).log.xz 000806882.mol 000806882.PUBCHEM 000806882.mol (via Jmol)
000806920.b3lyp_6-31g(d).inp

000806920.b3lyp_6-31g(d).qchem.inp (generated)

000806920.b3lyp_6-31g(d).gjf (generated)

000806920.b3lyp_6-31g(d).firefly.inp (generated)

000806920.b3lyp_6-31g(d).smash.inp (generated)

000806920.b3lyp_6-31g(d).nwchem.inp (generated) 000806920.b3lyp_6-31g(d).log.xz 000806920.td-b3lyp_6-31g+(d).inp 000806920.td-b3lyp_6-31g+(d).log.xz

000806920.td-b3lyp_6-31+g(d).qchem.inp (generated)

000806920.td-b3lyp_6-31+g(d).gjf (generated)

000806920.td-b3lyp_6-31+g(d).firefly.inp (generated)

000806920.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000806920.mol 000806920.PUBCHEM 000806920.mol (via Jmol)
000806927.b3lyp_6-31g(d).inp

000806927.b3lyp_6-31g(d).qchem.inp (generated)

000806927.b3lyp_6-31g(d).gjf (generated)

000806927.b3lyp_6-31g(d).firefly.inp (generated)

000806927.b3lyp_6-31g(d).smash.inp (generated)

000806927.b3lyp_6-31g(d).nwchem.inp (generated) 000806927.b3lyp_6-31g(d).log.xz 000806927.td-b3lyp_6-31g+(d).inp 000806927.td-b3lyp_6-31g+(d).log.xz

000806927.td-b3lyp_6-31+g(d).qchem.inp (generated)

000806927.td-b3lyp_6-31+g(d).gjf (generated)

000806927.td-b3lyp_6-31+g(d).firefly.inp (generated)

000806927.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000806927.mol 000806927.PUBCHEM 000806927.mol (via Jmol)
000807057.b3lyp_6-31g(d).inp

000807057.b3lyp_6-31g(d).qchem.inp (generated)

000807057.b3lyp_6-31g(d).gjf (generated)

000807057.b3lyp_6-31g(d).firefly.inp (generated)

000807057.b3lyp_6-31g(d).smash.inp (generated)

000807057.b3lyp_6-31g(d).nwchem.inp (generated) 000807057.b3lyp_6-31g(d).log.xz 000807057.td-b3lyp_6-31g+(d).inp 000807057.td-b3lyp_6-31g+(d).log.xz

000807057.td-b3lyp_6-31+g(d).qchem.inp (generated)

000807057.td-b3lyp_6-31+g(d).gjf (generated)

000807057.td-b3lyp_6-31+g(d).firefly.inp (generated)

000807057.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000807057.mol 000807057.PUBCHEM 000807057.mol (via Jmol)
000807059.b3lyp_6-31g(d).inp

000807059.b3lyp_6-31g(d).qchem.inp (generated)

000807059.b3lyp_6-31g(d).gjf (generated)

000807059.b3lyp_6-31g(d).firefly.inp (generated)

000807059.b3lyp_6-31g(d).smash.inp (generated)

000807059.b3lyp_6-31g(d).nwchem.inp (generated) 000807059.b3lyp_6-31g(d).log.xz 000807059.td-b3lyp_6-31g+(d).inp 000807059.td-b3lyp_6-31g+(d).log.xz

000807059.td-b3lyp_6-31+g(d).qchem.inp (generated)

000807059.td-b3lyp_6-31+g(d).gjf (generated)

000807059.td-b3lyp_6-31+g(d).firefly.inp (generated)

000807059.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000807059.mol 000807059.PUBCHEM 000807059.mol (via Jmol)
000807086.b3lyp_6-31g(d).inp

000807086.b3lyp_6-31g(d).qchem.inp (generated)

000807086.b3lyp_6-31g(d).gjf (generated)

000807086.b3lyp_6-31g(d).firefly.inp (generated)

000807086.b3lyp_6-31g(d).smash.inp (generated)

000807086.b3lyp_6-31g(d).nwchem.inp (generated) 000807086.b3lyp_6-31g(d).log.xz 000807086.td-b3lyp_6-31g+(d).inp 000807086.td-b3lyp_6-31g+(d).log.xz

000807086.td-b3lyp_6-31+g(d).qchem.inp (generated)

000807086.td-b3lyp_6-31+g(d).gjf (generated)

000807086.td-b3lyp_6-31+g(d).firefly.inp (generated)

000807086.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000807086.mol 000807086.PUBCHEM 000807086.mol (via Jmol)
000807147.b3lyp_6-31g(d).inp

000807147.b3lyp_6-31g(d).qchem.inp (generated)

000807147.b3lyp_6-31g(d).gjf (generated)

000807147.b3lyp_6-31g(d).firefly.inp (generated)

000807147.b3lyp_6-31g(d).smash.inp (generated)

000807147.b3lyp_6-31g(d).nwchem.inp (generated) 000807147.b3lyp_6-31g(d).log.xz 000807147.td-b3lyp_6-31g+(d).inp 000807147.td-b3lyp_6-31g+(d).log.xz

000807147.td-b3lyp_6-31+g(d).qchem.inp (generated)

000807147.td-b3lyp_6-31+g(d).gjf (generated)

000807147.td-b3lyp_6-31+g(d).firefly.inp (generated)

000807147.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000807147.mol 000807147.PUBCHEM 000807147.mol (via Jmol)
000807156.b3lyp_6-31g(d).inp

000807156.b3lyp_6-31g(d).qchem.inp (generated)

000807156.b3lyp_6-31g(d).gjf (generated)

000807156.b3lyp_6-31g(d).firefly.inp (generated)

000807156.b3lyp_6-31g(d).smash.inp (generated)

000807156.b3lyp_6-31g(d).nwchem.inp (generated) 000807156.b3lyp_6-31g(d).log.xz 000807156.td-b3lyp_6-31g+(d).inp 000807156.td-b3lyp_6-31g+(d).log.xz

000807156.td-b3lyp_6-31+g(d).qchem.inp (generated)

000807156.td-b3lyp_6-31+g(d).gjf (generated)

000807156.td-b3lyp_6-31+g(d).firefly.inp (generated)

000807156.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000807156.mol 000807156.PUBCHEM 000807156.mol (via Jmol)
000807171.b3lyp_6-31g(d).inp

000807171.b3lyp_6-31g(d).qchem.inp (generated)

000807171.b3lyp_6-31g(d).gjf (generated)

000807171.b3lyp_6-31g(d).firefly.inp (generated)

000807171.b3lyp_6-31g(d).smash.inp (generated)

000807171.b3lyp_6-31g(d).nwchem.inp (generated) 000807171.b3lyp_6-31g(d).log.xz 000807171.td-b3lyp_6-31g+(d).inp 000807171.td-b3lyp_6-31g+(d).log.xz

000807171.td-b3lyp_6-31+g(d).qchem.inp (generated)

000807171.td-b3lyp_6-31+g(d).gjf (generated)

000807171.td-b3lyp_6-31+g(d).firefly.inp (generated)

000807171.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000807171.mol 000807171.PUBCHEM 000807171.mol (via Jmol)
000807221.b3lyp_6-31g(d).inp

000807221.b3lyp_6-31g(d).qchem.inp (generated)

000807221.b3lyp_6-31g(d).gjf (generated)

000807221.b3lyp_6-31g(d).firefly.inp (generated)

000807221.b3lyp_6-31g(d).smash.inp (generated)

000807221.b3lyp_6-31g(d).nwchem.inp (generated) 000807221.b3lyp_6-31g(d).log.xz 000807221.td-b3lyp_6-31g+(d).inp 000807221.td-b3lyp_6-31g+(d).log.xz

000807221.td-b3lyp_6-31+g(d).qchem.inp (generated)

000807221.td-b3lyp_6-31+g(d).gjf (generated)

000807221.td-b3lyp_6-31+g(d).firefly.inp (generated)

000807221.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000807221.mol 000807221.PUBCHEM 000807221.mol (via Jmol)
000807229.b3lyp_6-31g(d).inp

000807229.b3lyp_6-31g(d).qchem.inp (generated)

000807229.b3lyp_6-31g(d).gjf (generated)

000807229.b3lyp_6-31g(d).firefly.inp (generated)

000807229.b3lyp_6-31g(d).smash.inp (generated)

000807229.b3lyp_6-31g(d).nwchem.inp (generated) 000807229.b3lyp_6-31g(d).log.xz 000807229.mol 000807229.PUBCHEM 000807229.mol (via Jmol)
000807230.b3lyp_6-31g(d).inp

000807230.b3lyp_6-31g(d).qchem.inp (generated)

000807230.b3lyp_6-31g(d).gjf (generated)

000807230.b3lyp_6-31g(d).firefly.inp (generated)

000807230.b3lyp_6-31g(d).smash.inp (generated)

000807230.b3lyp_6-31g(d).nwchem.inp (generated) 000807230.b3lyp_6-31g(d).log.xz 000807230.mol 000807230.PUBCHEM 000807230.mol (via Jmol)
000807232.b3lyp_6-31g(d).inp

000807232.b3lyp_6-31g(d).qchem.inp (generated)

000807232.b3lyp_6-31g(d).gjf (generated)

000807232.b3lyp_6-31g(d).firefly.inp (generated)

000807232.b3lyp_6-31g(d).smash.inp (generated)

000807232.b3lyp_6-31g(d).nwchem.inp (generated) 000807232.b3lyp_6-31g(d).log.xz 000807232.td-b3lyp_6-31g+(d).inp 000807232.td-b3lyp_6-31g+(d).log.xz

000807232.td-b3lyp_6-31+g(d).qchem.inp (generated)

000807232.td-b3lyp_6-31+g(d).gjf (generated)

000807232.td-b3lyp_6-31+g(d).firefly.inp (generated)

000807232.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000807232.mol 000807232.PUBCHEM 000807232.mol (via Jmol)
000807264.b3lyp_6-31g(d).inp

000807264.b3lyp_6-31g(d).qchem.inp (generated)

000807264.b3lyp_6-31g(d).gjf (generated)

000807264.b3lyp_6-31g(d).firefly.inp (generated)

000807264.b3lyp_6-31g(d).smash.inp (generated)

000807264.b3lyp_6-31g(d).nwchem.inp (generated) 000807264.b3lyp_6-31g(d).log.xz 000807264.mol 000807264.PUBCHEM 000807264.mol (via Jmol)
000807286.b3lyp_6-31g(d).inp

000807286.b3lyp_6-31g(d).qchem.inp (generated)

000807286.b3lyp_6-31g(d).gjf (generated)

000807286.b3lyp_6-31g(d).firefly.inp (generated)

000807286.b3lyp_6-31g(d).smash.inp (generated)

000807286.b3lyp_6-31g(d).nwchem.inp (generated) 000807286.b3lyp_6-31g(d).log.xz 000807286.td-b3lyp_6-31g+(d).inp 000807286.td-b3lyp_6-31g+(d).log.xz

000807286.td-b3lyp_6-31+g(d).qchem.inp (generated)

000807286.td-b3lyp_6-31+g(d).gjf (generated)

000807286.td-b3lyp_6-31+g(d).firefly.inp (generated)

000807286.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000807286.mol 000807286.PUBCHEM 000807286.mol (via Jmol)
000807457.b3lyp_6-31g(d).inp

000807457.b3lyp_6-31g(d).qchem.inp (generated)

000807457.b3lyp_6-31g(d).gjf (generated)

000807457.b3lyp_6-31g(d).firefly.inp (generated)

000807457.b3lyp_6-31g(d).smash.inp (generated)

000807457.b3lyp_6-31g(d).nwchem.inp (generated) 000807457.b3lyp_6-31g(d).log.xz 000807457.td-b3lyp_6-31g+(d).inp 000807457.td-b3lyp_6-31g+(d).log.xz

000807457.td-b3lyp_6-31+g(d).qchem.inp (generated)

000807457.td-b3lyp_6-31+g(d).gjf (generated)

000807457.td-b3lyp_6-31+g(d).firefly.inp (generated)

000807457.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000807457.mol 000807457.PUBCHEM 000807457.mol (via Jmol)
000807474.b3lyp_6-31g(d).inp

000807474.b3lyp_6-31g(d).qchem.inp (generated)

000807474.b3lyp_6-31g(d).gjf (generated)

000807474.b3lyp_6-31g(d).firefly.inp (generated)

000807474.b3lyp_6-31g(d).smash.inp (generated)

000807474.b3lyp_6-31g(d).nwchem.inp (generated) 000807474.b3lyp_6-31g(d).log.xz 000807474.td-b3lyp_6-31g+(d).inp 000807474.td-b3lyp_6-31g+(d).log.xz

000807474.td-b3lyp_6-31+g(d).qchem.inp (generated)

000807474.td-b3lyp_6-31+g(d).gjf (generated)

000807474.td-b3lyp_6-31+g(d).firefly.inp (generated)

000807474.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000807474.mol 000807474.PUBCHEM 000807474.mol (via Jmol)
000807494.b3lyp_6-31g(d).inp

000807494.b3lyp_6-31g(d).qchem.inp (generated)

000807494.b3lyp_6-31g(d).gjf (generated)

000807494.b3lyp_6-31g(d).firefly.inp (generated)

000807494.b3lyp_6-31g(d).smash.inp (generated)

000807494.b3lyp_6-31g(d).nwchem.inp (generated) 000807494.b3lyp_6-31g(d).log.xz 000807494.td-b3lyp_6-31g+(d).inp 000807494.td-b3lyp_6-31g+(d).log.xz

000807494.td-b3lyp_6-31+g(d).qchem.inp (generated)

000807494.td-b3lyp_6-31+g(d).gjf (generated)

000807494.td-b3lyp_6-31+g(d).firefly.inp (generated)

000807494.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000807494.mol 000807494.PUBCHEM 000807494.mol (via Jmol)
000807495.b3lyp_6-31g(d).inp

000807495.b3lyp_6-31g(d).qchem.inp (generated)

000807495.b3lyp_6-31g(d).gjf (generated)

000807495.b3lyp_6-31g(d).firefly.inp (generated)

000807495.b3lyp_6-31g(d).smash.inp (generated)

000807495.b3lyp_6-31g(d).nwchem.inp (generated) 000807495.b3lyp_6-31g(d).log.xz 000807495.td-b3lyp_6-31g+(d).inp 000807495.td-b3lyp_6-31g+(d).log.xz

000807495.td-b3lyp_6-31+g(d).qchem.inp (generated)

000807495.td-b3lyp_6-31+g(d).gjf (generated)

000807495.td-b3lyp_6-31+g(d).firefly.inp (generated)

000807495.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000807495.mol 000807495.PUBCHEM 000807495.mol (via Jmol)
000807500.b3lyp_6-31g(d).inp

000807500.b3lyp_6-31g(d).qchem.inp (generated)

000807500.b3lyp_6-31g(d).gjf (generated)

000807500.b3lyp_6-31g(d).firefly.inp (generated)

000807500.b3lyp_6-31g(d).smash.inp (generated)

000807500.b3lyp_6-31g(d).nwchem.inp (generated) 000807500.b3lyp_6-31g(d).log.xz 000807500.td-b3lyp_6-31g+(d).inp 000807500.td-b3lyp_6-31g+(d).log.xz

000807500.td-b3lyp_6-31+g(d).qchem.inp (generated)

000807500.td-b3lyp_6-31+g(d).gjf (generated)

000807500.td-b3lyp_6-31+g(d).firefly.inp (generated)

000807500.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000807500.mol 000807500.PUBCHEM 000807500.mol (via Jmol)
000807541.b3lyp_6-31g(d).inp

000807541.b3lyp_6-31g(d).qchem.inp (generated)

000807541.b3lyp_6-31g(d).gjf (generated)

000807541.b3lyp_6-31g(d).firefly.inp (generated)

000807541.b3lyp_6-31g(d).smash.inp (generated)

000807541.b3lyp_6-31g(d).nwchem.inp (generated) 000807541.b3lyp_6-31g(d).log.xz 000807541.mol 000807541.PUBCHEM 000807541.mol (via Jmol)
000807545.b3lyp_6-31g(d).inp

000807545.b3lyp_6-31g(d).qchem.inp (generated)

000807545.b3lyp_6-31g(d).gjf (generated)

000807545.b3lyp_6-31g(d).firefly.inp (generated)

000807545.b3lyp_6-31g(d).smash.inp (generated)

000807545.b3lyp_6-31g(d).nwchem.inp (generated) 000807545.b3lyp_6-31g(d).log.xz 000807545.td-b3lyp_6-31g+(d).inp 000807545.td-b3lyp_6-31g+(d).log.xz

000807545.td-b3lyp_6-31+g(d).qchem.inp (generated)

000807545.td-b3lyp_6-31+g(d).gjf (generated)

000807545.td-b3lyp_6-31+g(d).firefly.inp (generated)

000807545.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000807545.mol 000807545.PUBCHEM 000807545.mol (via Jmol)
000807551.b3lyp_6-31g(d).inp

000807551.b3lyp_6-31g(d).qchem.inp (generated)

000807551.b3lyp_6-31g(d).gjf (generated)

000807551.b3lyp_6-31g(d).firefly.inp (generated)

000807551.b3lyp_6-31g(d).smash.inp (generated)

000807551.b3lyp_6-31g(d).nwchem.inp (generated) 000807551.b3lyp_6-31g(d).log.xz 000807551.td-b3lyp_6-31g+(d).inp 000807551.td-b3lyp_6-31g+(d).log.xz

000807551.td-b3lyp_6-31+g(d).qchem.inp (generated)

000807551.td-b3lyp_6-31+g(d).gjf (generated)

000807551.td-b3lyp_6-31+g(d).firefly.inp (generated)

000807551.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000807551.mol 000807551.PUBCHEM 000807551.mol (via Jmol)
000807554.b3lyp_6-31g(d).inp

000807554.b3lyp_6-31g(d).qchem.inp (generated)

000807554.b3lyp_6-31g(d).gjf (generated)

000807554.b3lyp_6-31g(d).firefly.inp (generated)

000807554.b3lyp_6-31g(d).smash.inp (generated)

000807554.b3lyp_6-31g(d).nwchem.inp (generated) 000807554.b3lyp_6-31g(d).log.xz 000807554.td-b3lyp_6-31g+(d).inp 000807554.td-b3lyp_6-31g+(d).log.xz

000807554.td-b3lyp_6-31+g(d).qchem.inp (generated)

000807554.td-b3lyp_6-31+g(d).gjf (generated)

000807554.td-b3lyp_6-31+g(d).firefly.inp (generated)

000807554.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000807554.mol 000807554.PUBCHEM 000807554.mol (via Jmol)
000807555.b3lyp_6-31g(d).inp

000807555.b3lyp_6-31g(d).qchem.inp (generated)

000807555.b3lyp_6-31g(d).gjf (generated)

000807555.b3lyp_6-31g(d).firefly.inp (generated)

000807555.b3lyp_6-31g(d).smash.inp (generated)

000807555.b3lyp_6-31g(d).nwchem.inp (generated) 000807555.b3lyp_6-31g(d).log.xz 000807555.td-b3lyp_6-31g+(d).inp 000807555.td-b3lyp_6-31g+(d).log.xz

000807555.td-b3lyp_6-31+g(d).qchem.inp (generated)

000807555.td-b3lyp_6-31+g(d).gjf (generated)

000807555.td-b3lyp_6-31+g(d).firefly.inp (generated)

000807555.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000807555.mol 000807555.PUBCHEM 000807555.mol (via Jmol)
000807574.b3lyp_6-31g(d).inp

000807574.b3lyp_6-31g(d).qchem.inp (generated)

000807574.b3lyp_6-31g(d).gjf (generated)

000807574.b3lyp_6-31g(d).firefly.inp (generated)

000807574.b3lyp_6-31g(d).smash.inp (generated)

000807574.b3lyp_6-31g(d).nwchem.inp (generated) 000807574.b3lyp_6-31g(d).log.xz 000807574.td-b3lyp_6-31g+(d).inp 000807574.td-b3lyp_6-31g+(d).log.xz

000807574.td-b3lyp_6-31+g(d).qchem.inp (generated)

000807574.td-b3lyp_6-31+g(d).gjf (generated)

000807574.td-b3lyp_6-31+g(d).firefly.inp (generated)

000807574.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000807574.mol 000807574.PUBCHEM 000807574.mol (via Jmol)
000807581.b3lyp_6-31g(d).inp

000807581.b3lyp_6-31g(d).qchem.inp (generated)

000807581.b3lyp_6-31g(d).gjf (generated)

000807581.b3lyp_6-31g(d).firefly.inp (generated)

000807581.b3lyp_6-31g(d).smash.inp (generated)

000807581.b3lyp_6-31g(d).nwchem.inp (generated) 000807581.b3lyp_6-31g(d).log.xz 000807581.mol 000807581.PUBCHEM 000807581.mol (via Jmol)
000807583.b3lyp_6-31g(d).inp

000807583.b3lyp_6-31g(d).qchem.inp (generated)

000807583.b3lyp_6-31g(d).gjf (generated)

000807583.b3lyp_6-31g(d).firefly.inp (generated)

000807583.b3lyp_6-31g(d).smash.inp (generated)

000807583.b3lyp_6-31g(d).nwchem.inp (generated) 000807583.b3lyp_6-31g(d).log.xz 000807583.td-b3lyp_6-31g+(d).inp 000807583.td-b3lyp_6-31g+(d).log.xz

000807583.td-b3lyp_6-31+g(d).qchem.inp (generated)

000807583.td-b3lyp_6-31+g(d).gjf (generated)

000807583.td-b3lyp_6-31+g(d).firefly.inp (generated)

000807583.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000807583.mol 000807583.PUBCHEM 000807583.mol (via Jmol)
000807589.b3lyp_6-31g(d).inp

000807589.b3lyp_6-31g(d).qchem.inp (generated)

000807589.b3lyp_6-31g(d).gjf (generated)

000807589.b3lyp_6-31g(d).firefly.inp (generated)

000807589.b3lyp_6-31g(d).smash.inp (generated)

000807589.b3lyp_6-31g(d).nwchem.inp (generated) 000807589.b3lyp_6-31g(d).log.xz 000807589.td-b3lyp_6-31g+(d).inp 000807589.td-b3lyp_6-31g+(d).log.xz

000807589.td-b3lyp_6-31+g(d).qchem.inp (generated)

000807589.td-b3lyp_6-31+g(d).gjf (generated)

000807589.td-b3lyp_6-31+g(d).firefly.inp (generated)

000807589.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000807589.mol 000807589.PUBCHEM 000807589.mol (via Jmol)
000807590.b3lyp_6-31g(d).inp

000807590.b3lyp_6-31g(d).qchem.inp (generated)

000807590.b3lyp_6-31g(d).gjf (generated)

000807590.b3lyp_6-31g(d).firefly.inp (generated)

000807590.b3lyp_6-31g(d).smash.inp (generated)

000807590.b3lyp_6-31g(d).nwchem.inp (generated) 000807590.b3lyp_6-31g(d).log.xz 000807590.td-b3lyp_6-31g+(d).inp 000807590.td-b3lyp_6-31g+(d).log.xz

000807590.td-b3lyp_6-31+g(d).qchem.inp (generated)

000807590.td-b3lyp_6-31+g(d).gjf (generated)

000807590.td-b3lyp_6-31+g(d).firefly.inp (generated)

000807590.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000807590.mol 000807590.PUBCHEM 000807590.mol (via Jmol)
000807640.b3lyp_6-31g(d).inp

000807640.b3lyp_6-31g(d).qchem.inp (generated)

000807640.b3lyp_6-31g(d).gjf (generated)

000807640.b3lyp_6-31g(d).firefly.inp (generated)

000807640.b3lyp_6-31g(d).smash.inp (generated)

000807640.b3lyp_6-31g(d).nwchem.inp (generated) 000807640.b3lyp_6-31g(d).log.xz 000807640.mol 000807640.PUBCHEM 000807640.mol (via Jmol)
000807652.b3lyp_6-31g(d).inp

000807652.b3lyp_6-31g(d).qchem.inp (generated)

000807652.b3lyp_6-31g(d).gjf (generated)

000807652.b3lyp_6-31g(d).firefly.inp (generated)

000807652.b3lyp_6-31g(d).smash.inp (generated)

000807652.b3lyp_6-31g(d).nwchem.inp (generated) 000807652.b3lyp_6-31g(d).log.xz 000807652.mol 000807652.PUBCHEM 000807652.mol (via Jmol)
000807653.b3lyp_6-31g(d).inp

000807653.b3lyp_6-31g(d).qchem.inp (generated)

000807653.b3lyp_6-31g(d).gjf (generated)

000807653.b3lyp_6-31g(d).firefly.inp (generated)

000807653.b3lyp_6-31g(d).smash.inp (generated)

000807653.b3lyp_6-31g(d).nwchem.inp (generated) 000807653.b3lyp_6-31g(d).log.xz 000807653.mol 000807653.PUBCHEM 000807653.mol (via Jmol)
000807691.b3lyp_6-31g(d).inp

000807691.b3lyp_6-31g(d).qchem.inp (generated)

000807691.b3lyp_6-31g(d).gjf (generated)

000807691.b3lyp_6-31g(d).firefly.inp (generated)

000807691.b3lyp_6-31g(d).smash.inp (generated)

000807691.b3lyp_6-31g(d).nwchem.inp (generated) 000807691.b3lyp_6-31g(d).log.xz 000807691.td-b3lyp_6-31g+(d).inp 000807691.td-b3lyp_6-31g+(d).log.xz

000807691.td-b3lyp_6-31+g(d).qchem.inp (generated)

000807691.td-b3lyp_6-31+g(d).gjf (generated)

000807691.td-b3lyp_6-31+g(d).firefly.inp (generated)

000807691.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000807691.mol 000807691.PUBCHEM 000807691.mol (via Jmol)
000807698.b3lyp_6-31g(d).inp

000807698.b3lyp_6-31g(d).qchem.inp (generated)

000807698.b3lyp_6-31g(d).gjf (generated)

000807698.b3lyp_6-31g(d).firefly.inp (generated)

000807698.b3lyp_6-31g(d).smash.inp (generated)

000807698.b3lyp_6-31g(d).nwchem.inp (generated) 000807698.b3lyp_6-31g(d).log.xz 000807698.td-b3lyp_6-31g+(d).inp 000807698.td-b3lyp_6-31g+(d).log.xz

000807698.td-b3lyp_6-31+g(d).qchem.inp (generated)

000807698.td-b3lyp_6-31+g(d).gjf (generated)

000807698.td-b3lyp_6-31+g(d).firefly.inp (generated)

000807698.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000807698.mol 000807698.PUBCHEM 000807698.mol (via Jmol)
000807780.b3lyp_6-31g(d).inp

000807780.b3lyp_6-31g(d).qchem.inp (generated)

000807780.b3lyp_6-31g(d).gjf (generated)

000807780.b3lyp_6-31g(d).firefly.inp (generated)

000807780.b3lyp_6-31g(d).smash.inp (generated)

000807780.b3lyp_6-31g(d).nwchem.inp (generated) 000807780.b3lyp_6-31g(d).log.xz 000807780.mol 000807780.PUBCHEM 000807780.mol (via Jmol)
000807788.b3lyp_6-31g(d).inp

000807788.b3lyp_6-31g(d).qchem.inp (generated)

000807788.b3lyp_6-31g(d).gjf (generated)

000807788.b3lyp_6-31g(d).firefly.inp (generated)

000807788.b3lyp_6-31g(d).smash.inp (generated)

000807788.b3lyp_6-31g(d).nwchem.inp (generated) 000807788.b3lyp_6-31g(d).log.xz 000807788.td-b3lyp_6-31g+(d).inp 000807788.td-b3lyp_6-31g+(d).log.xz

000807788.td-b3lyp_6-31+g(d).qchem.inp (generated)

000807788.td-b3lyp_6-31+g(d).gjf (generated)

000807788.td-b3lyp_6-31+g(d).firefly.inp (generated)

000807788.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000807788.mol 000807788.PUBCHEM 000807788.mol (via Jmol)
000807800.b3lyp_6-31g(d).inp

000807800.b3lyp_6-31g(d).qchem.inp (generated)

000807800.b3lyp_6-31g(d).gjf (generated)

000807800.b3lyp_6-31g(d).firefly.inp (generated)

000807800.b3lyp_6-31g(d).smash.inp (generated)

000807800.b3lyp_6-31g(d).nwchem.inp (generated) 000807800.b3lyp_6-31g(d).log.xz 000807800.td-b3lyp_6-31g+(d).inp 000807800.td-b3lyp_6-31g+(d).log.xz

000807800.td-b3lyp_6-31+g(d).qchem.inp (generated)

000807800.td-b3lyp_6-31+g(d).gjf (generated)

000807800.td-b3lyp_6-31+g(d).firefly.inp (generated)

000807800.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000807800.mol 000807800.PUBCHEM 000807800.mol (via Jmol)
000807814.b3lyp_6-31g(d).inp

000807814.b3lyp_6-31g(d).qchem.inp (generated)

000807814.b3lyp_6-31g(d).gjf (generated)

000807814.b3lyp_6-31g(d).firefly.inp (generated)

000807814.b3lyp_6-31g(d).smash.inp (generated)

000807814.b3lyp_6-31g(d).nwchem.inp (generated) 000807814.b3lyp_6-31g(d).log.xz 000807814.td-b3lyp_6-31g+(d).inp 000807814.td-b3lyp_6-31g+(d).log.xz

000807814.td-b3lyp_6-31+g(d).qchem.inp (generated)

000807814.td-b3lyp_6-31+g(d).gjf (generated)

000807814.td-b3lyp_6-31+g(d).firefly.inp (generated)

000807814.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000807814.mol 000807814.PUBCHEM 000807814.mol (via Jmol)
000807817.b3lyp_6-31g(d).inp

000807817.b3lyp_6-31g(d).qchem.inp (generated)

000807817.b3lyp_6-31g(d).gjf (generated)

000807817.b3lyp_6-31g(d).firefly.inp (generated)

000807817.b3lyp_6-31g(d).smash.inp (generated)

000807817.b3lyp_6-31g(d).nwchem.inp (generated) 000807817.b3lyp_6-31g(d).log.xz 000807817.mol 000807817.PUBCHEM 000807817.mol (via Jmol)
000807820.b3lyp_6-31g(d).inp

000807820.b3lyp_6-31g(d).qchem.inp (generated)

000807820.b3lyp_6-31g(d).gjf (generated)

000807820.b3lyp_6-31g(d).firefly.inp (generated)

000807820.b3lyp_6-31g(d).smash.inp (generated)

000807820.b3lyp_6-31g(d).nwchem.inp (generated) 000807820.b3lyp_6-31g(d).log.xz 000807820.td-b3lyp_6-31g+(d).inp 000807820.td-b3lyp_6-31g+(d).log.xz

000807820.td-b3lyp_6-31+g(d).qchem.inp (generated)

000807820.td-b3lyp_6-31+g(d).gjf (generated)

000807820.td-b3lyp_6-31+g(d).firefly.inp (generated)

000807820.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000807820.mol 000807820.PUBCHEM 000807820.mol (via Jmol)
000807859.b3lyp_6-31g(d).inp

000807859.b3lyp_6-31g(d).qchem.inp (generated)

000807859.b3lyp_6-31g(d).gjf (generated)

000807859.b3lyp_6-31g(d).firefly.inp (generated)

000807859.b3lyp_6-31g(d).smash.inp (generated)

000807859.b3lyp_6-31g(d).nwchem.inp (generated) 000807859.b3lyp_6-31g(d).log.xz 000807859.td-b3lyp_6-31g+(d).inp 000807859.td-b3lyp_6-31g+(d).log.xz

000807859.td-b3lyp_6-31+g(d).qchem.inp (generated)

000807859.td-b3lyp_6-31+g(d).gjf (generated)

000807859.td-b3lyp_6-31+g(d).firefly.inp (generated)

000807859.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000807859.mol 000807859.PUBCHEM 000807859.mol (via Jmol)
000807880.b3lyp_6-31g(d).inp

000807880.b3lyp_6-31g(d).qchem.inp (generated)

000807880.b3lyp_6-31g(d).gjf (generated)

000807880.b3lyp_6-31g(d).firefly.inp (generated)

000807880.b3lyp_6-31g(d).smash.inp (generated)

000807880.b3lyp_6-31g(d).nwchem.inp (generated) 000807880.b3lyp_6-31g(d).log.xz 000807880.td-b3lyp_6-31g+(d).inp 000807880.td-b3lyp_6-31g+(d).log.xz

000807880.td-b3lyp_6-31+g(d).qchem.inp (generated)

000807880.td-b3lyp_6-31+g(d).gjf (generated)

000807880.td-b3lyp_6-31+g(d).firefly.inp (generated)

000807880.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000807880.mol 000807880.PUBCHEM 000807880.mol (via Jmol)
000807881.b3lyp_6-31g(d).inp

000807881.b3lyp_6-31g(d).qchem.inp (generated)

000807881.b3lyp_6-31g(d).gjf (generated)

000807881.b3lyp_6-31g(d).firefly.inp (generated)

000807881.b3lyp_6-31g(d).smash.inp (generated)

000807881.b3lyp_6-31g(d).nwchem.inp (generated) 000807881.b3lyp_6-31g(d).log.xz 000807881.td-b3lyp_6-31g+(d).inp 000807881.td-b3lyp_6-31g+(d).log.xz

000807881.td-b3lyp_6-31+g(d).qchem.inp (generated)

000807881.td-b3lyp_6-31+g(d).gjf (generated)

000807881.td-b3lyp_6-31+g(d).firefly.inp (generated)

000807881.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000807881.mol 000807881.PUBCHEM 000807881.mol (via Jmol)
000807896.b3lyp_6-31g(d).inp

000807896.b3lyp_6-31g(d).qchem.inp (generated)

000807896.b3lyp_6-31g(d).gjf (generated)

000807896.b3lyp_6-31g(d).firefly.inp (generated)

000807896.b3lyp_6-31g(d).smash.inp (generated)

000807896.b3lyp_6-31g(d).nwchem.inp (generated) 000807896.b3lyp_6-31g(d).log.xz 000807896.td-b3lyp_6-31g+(d).inp 000807896.td-b3lyp_6-31g+(d).log.xz

000807896.td-b3lyp_6-31+g(d).qchem.inp (generated)

000807896.td-b3lyp_6-31+g(d).gjf (generated)

000807896.td-b3lyp_6-31+g(d).firefly.inp (generated)

000807896.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000807896.mol 000807896.PUBCHEM 000807896.mol (via Jmol)
000807908.b3lyp_6-31g(d).inp

000807908.b3lyp_6-31g(d).qchem.inp (generated)

000807908.b3lyp_6-31g(d).gjf (generated)

000807908.b3lyp_6-31g(d).firefly.inp (generated)

000807908.b3lyp_6-31g(d).smash.inp (generated)

000807908.b3lyp_6-31g(d).nwchem.inp (generated) 000807908.b3lyp_6-31g(d).log.xz 000807908.td-b3lyp_6-31g+(d).inp 000807908.td-b3lyp_6-31g+(d).log.xz

000807908.td-b3lyp_6-31+g(d).qchem.inp (generated)

000807908.td-b3lyp_6-31+g(d).gjf (generated)

000807908.td-b3lyp_6-31+g(d).firefly.inp (generated)

000807908.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000807908.mol 000807908.PUBCHEM 000807908.mol (via Jmol)
000807909.b3lyp_6-31g(d).inp

000807909.b3lyp_6-31g(d).qchem.inp (generated)

000807909.b3lyp_6-31g(d).gjf (generated)

000807909.b3lyp_6-31g(d).firefly.inp (generated)

000807909.b3lyp_6-31g(d).smash.inp (generated)

000807909.b3lyp_6-31g(d).nwchem.inp (generated) 000807909.b3lyp_6-31g(d).log.xz 000807909.td-b3lyp_6-31g+(d).inp 000807909.td-b3lyp_6-31g+(d).log.xz

000807909.td-b3lyp_6-31+g(d).qchem.inp (generated)

000807909.td-b3lyp_6-31+g(d).gjf (generated)

000807909.td-b3lyp_6-31+g(d).firefly.inp (generated)

000807909.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000807909.mol 000807909.PUBCHEM 000807909.mol (via Jmol)
000807911.b3lyp_6-31g(d).inp

000807911.b3lyp_6-31g(d).qchem.inp (generated)

000807911.b3lyp_6-31g(d).gjf (generated)

000807911.b3lyp_6-31g(d).firefly.inp (generated)

000807911.b3lyp_6-31g(d).smash.inp (generated)

000807911.b3lyp_6-31g(d).nwchem.inp (generated) 000807911.b3lyp_6-31g(d).log.xz 000807911.td-b3lyp_6-31g+(d).inp 000807911.td-b3lyp_6-31g+(d).log.xz

000807911.td-b3lyp_6-31+g(d).qchem.inp (generated)

000807911.td-b3lyp_6-31+g(d).gjf (generated)

000807911.td-b3lyp_6-31+g(d).firefly.inp (generated)

000807911.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000807911.mol 000807911.PUBCHEM 000807911.mol (via Jmol)
000807922.b3lyp_6-31g(d).inp

000807922.b3lyp_6-31g(d).qchem.inp (generated)

000807922.b3lyp_6-31g(d).gjf (generated)

000807922.b3lyp_6-31g(d).firefly.inp (generated)

000807922.b3lyp_6-31g(d).smash.inp (generated)

000807922.b3lyp_6-31g(d).nwchem.inp (generated) 000807922.b3lyp_6-31g(d).log.xz 000807922.mol 000807922.PUBCHEM 000807922.mol (via Jmol)
000807976.b3lyp_6-31g(d).inp

000807976.b3lyp_6-31g(d).qchem.inp (generated)

000807976.b3lyp_6-31g(d).gjf (generated)

000807976.b3lyp_6-31g(d).firefly.inp (generated)

000807976.b3lyp_6-31g(d).smash.inp (generated)

000807976.b3lyp_6-31g(d).nwchem.inp (generated) 000807976.b3lyp_6-31g(d).log.xz 000807976.td-b3lyp_6-31g+(d).inp 000807976.td-b3lyp_6-31g+(d).log.xz

000807976.td-b3lyp_6-31+g(d).qchem.inp (generated)

000807976.td-b3lyp_6-31+g(d).gjf (generated)

000807976.td-b3lyp_6-31+g(d).firefly.inp (generated)

000807976.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000807976.mol 000807976.PUBCHEM 000807976.mol (via Jmol)
000808020.b3lyp_6-31g(d).inp

000808020.b3lyp_6-31g(d).qchem.inp (generated)

000808020.b3lyp_6-31g(d).gjf (generated)

000808020.b3lyp_6-31g(d).firefly.inp (generated)

000808020.b3lyp_6-31g(d).smash.inp (generated)

000808020.b3lyp_6-31g(d).nwchem.inp (generated) 000808020.b3lyp_6-31g(d).log.xz 000808020.td-b3lyp_6-31g+(d).inp 000808020.td-b3lyp_6-31g+(d).log.xz

000808020.td-b3lyp_6-31+g(d).qchem.inp (generated)

000808020.td-b3lyp_6-31+g(d).gjf (generated)

000808020.td-b3lyp_6-31+g(d).firefly.inp (generated)

000808020.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000808020.mol 000808020.PUBCHEM 000808020.mol (via Jmol)
000808053.b3lyp_6-31g(d).inp

000808053.b3lyp_6-31g(d).qchem.inp (generated)

000808053.b3lyp_6-31g(d).gjf (generated)

000808053.b3lyp_6-31g(d).firefly.inp (generated)

000808053.b3lyp_6-31g(d).smash.inp (generated)

000808053.b3lyp_6-31g(d).nwchem.inp (generated) 000808053.b3lyp_6-31g(d).log.xz 000808053.mol 000808053.PUBCHEM 000808053.mol (via Jmol)
000808096.b3lyp_6-31g(d).inp

000808096.b3lyp_6-31g(d).qchem.inp (generated)

000808096.b3lyp_6-31g(d).gjf (generated)

000808096.b3lyp_6-31g(d).firefly.inp (generated)

000808096.b3lyp_6-31g(d).smash.inp (generated)

000808096.b3lyp_6-31g(d).nwchem.inp (generated) 000808096.b3lyp_6-31g(d).log.xz 000808096.mol 000808096.PUBCHEM 000808096.mol (via Jmol)
000808098.b3lyp_6-31g(d).inp

000808098.b3lyp_6-31g(d).qchem.inp (generated)

000808098.b3lyp_6-31g(d).gjf (generated)

000808098.b3lyp_6-31g(d).firefly.inp (generated)

000808098.b3lyp_6-31g(d).smash.inp (generated)

000808098.b3lyp_6-31g(d).nwchem.inp (generated) 000808098.b3lyp_6-31g(d).log.xz 000808098.mol 000808098.PUBCHEM 000808098.mol (via Jmol)
000808113.b3lyp_6-31g(d).inp

000808113.b3lyp_6-31g(d).qchem.inp (generated)

000808113.b3lyp_6-31g(d).gjf (generated)

000808113.b3lyp_6-31g(d).firefly.inp (generated)

000808113.b3lyp_6-31g(d).smash.inp (generated)

000808113.b3lyp_6-31g(d).nwchem.inp (generated) 000808113.b3lyp_6-31g(d).log.xz 000808113.td-b3lyp_6-31g+(d).inp 000808113.td-b3lyp_6-31g+(d).log.xz

000808113.td-b3lyp_6-31+g(d).qchem.inp (generated)

000808113.td-b3lyp_6-31+g(d).gjf (generated)

000808113.td-b3lyp_6-31+g(d).firefly.inp (generated)

000808113.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000808113.mol 000808113.PUBCHEM 000808113.mol (via Jmol)
000808197.b3lyp_6-31g(d).inp

000808197.b3lyp_6-31g(d).qchem.inp (generated)

000808197.b3lyp_6-31g(d).gjf (generated)

000808197.b3lyp_6-31g(d).firefly.inp (generated)

000808197.b3lyp_6-31g(d).smash.inp (generated)

000808197.b3lyp_6-31g(d).nwchem.inp (generated) 000808197.b3lyp_6-31g(d).log.xz 000808197.td-b3lyp_6-31g+(d).inp 000808197.td-b3lyp_6-31g+(d).log.xz

000808197.td-b3lyp_6-31+g(d).qchem.inp (generated)

000808197.td-b3lyp_6-31+g(d).gjf (generated)

000808197.td-b3lyp_6-31+g(d).firefly.inp (generated)

000808197.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000808197.mol 000808197.PUBCHEM 000808197.mol (via Jmol)
000808199.b3lyp_6-31g(d).inp

000808199.b3lyp_6-31g(d).qchem.inp (generated)

000808199.b3lyp_6-31g(d).gjf (generated)

000808199.b3lyp_6-31g(d).firefly.inp (generated)

000808199.b3lyp_6-31g(d).smash.inp (generated)

000808199.b3lyp_6-31g(d).nwchem.inp (generated) 000808199.b3lyp_6-31g(d).log.xz 000808199.td-b3lyp_6-31g+(d).inp 000808199.td-b3lyp_6-31g+(d).log.xz

000808199.td-b3lyp_6-31+g(d).qchem.inp (generated)

000808199.td-b3lyp_6-31+g(d).gjf (generated)

000808199.td-b3lyp_6-31+g(d).firefly.inp (generated)

000808199.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000808199.mol 000808199.PUBCHEM 000808199.mol (via Jmol)
000808216.b3lyp_6-31g(d).inp

000808216.b3lyp_6-31g(d).qchem.inp (generated)

000808216.b3lyp_6-31g(d).gjf (generated)

000808216.b3lyp_6-31g(d).firefly.inp (generated)

000808216.b3lyp_6-31g(d).smash.inp (generated)

000808216.b3lyp_6-31g(d).nwchem.inp (generated) 000808216.b3lyp_6-31g(d).log.xz 000808216.mol 000808216.PUBCHEM 000808216.mol (via Jmol)
000808235.b3lyp_6-31g(d).inp

000808235.b3lyp_6-31g(d).qchem.inp (generated)

000808235.b3lyp_6-31g(d).gjf (generated)

000808235.b3lyp_6-31g(d).firefly.inp (generated)

000808235.b3lyp_6-31g(d).smash.inp (generated)

000808235.b3lyp_6-31g(d).nwchem.inp (generated) 000808235.b3lyp_6-31g(d).log.xz 000808235.td-b3lyp_6-31g+(d).inp 000808235.td-b3lyp_6-31g+(d).log.xz

000808235.td-b3lyp_6-31+g(d).qchem.inp (generated)

000808235.td-b3lyp_6-31+g(d).gjf (generated)

000808235.td-b3lyp_6-31+g(d).firefly.inp (generated)

000808235.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000808235.mol 000808235.PUBCHEM 000808235.mol (via Jmol)
000808283.b3lyp_6-31g(d).inp

000808283.b3lyp_6-31g(d).qchem.inp (generated)

000808283.b3lyp_6-31g(d).gjf (generated)

000808283.b3lyp_6-31g(d).firefly.inp (generated)

000808283.b3lyp_6-31g(d).smash.inp (generated)

000808283.b3lyp_6-31g(d).nwchem.inp (generated) 000808283.b3lyp_6-31g(d).log.xz 000808283.td-b3lyp_6-31g+(d).inp 000808283.td-b3lyp_6-31g+(d).log.xz

000808283.td-b3lyp_6-31+g(d).qchem.inp (generated)

000808283.td-b3lyp_6-31+g(d).gjf (generated)

000808283.td-b3lyp_6-31+g(d).firefly.inp (generated)

000808283.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000808283.mol 000808283.PUBCHEM 000808283.mol (via Jmol)
000808301.b3lyp_6-31g(d).inp

000808301.b3lyp_6-31g(d).qchem.inp (generated)

000808301.b3lyp_6-31g(d).gjf (generated)

000808301.b3lyp_6-31g(d).firefly.inp (generated)

000808301.b3lyp_6-31g(d).smash.inp (generated)

000808301.b3lyp_6-31g(d).nwchem.inp (generated) 000808301.b3lyp_6-31g(d).log.xz 000808301.td-b3lyp_6-31g+(d).inp 000808301.td-b3lyp_6-31g+(d).log.xz

000808301.td-b3lyp_6-31+g(d).qchem.inp (generated)

000808301.td-b3lyp_6-31+g(d).gjf (generated)

000808301.td-b3lyp_6-31+g(d).firefly.inp (generated)

000808301.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000808301.mol 000808301.PUBCHEM 000808301.mol (via Jmol)
000808314.b3lyp_6-31g(d).inp

000808314.b3lyp_6-31g(d).qchem.inp (generated)

000808314.b3lyp_6-31g(d).gjf (generated)

000808314.b3lyp_6-31g(d).firefly.inp (generated)

000808314.b3lyp_6-31g(d).smash.inp (generated)

000808314.b3lyp_6-31g(d).nwchem.inp (generated) 000808314.b3lyp_6-31g(d).log.xz 000808314.td-b3lyp_6-31g+(d).inp 000808314.td-b3lyp_6-31g+(d).log.xz

000808314.td-b3lyp_6-31+g(d).qchem.inp (generated)

000808314.td-b3lyp_6-31+g(d).gjf (generated)

000808314.td-b3lyp_6-31+g(d).firefly.inp (generated)

000808314.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000808314.mol 000808314.PUBCHEM 000808314.mol (via Jmol)
000808423.b3lyp_6-31g(d).inp

000808423.b3lyp_6-31g(d).qchem.inp (generated)

000808423.b3lyp_6-31g(d).gjf (generated)

000808423.b3lyp_6-31g(d).firefly.inp (generated)

000808423.b3lyp_6-31g(d).smash.inp (generated)

000808423.b3lyp_6-31g(d).nwchem.inp (generated) 000808423.b3lyp_6-31g(d).log.xz 000808423.td-b3lyp_6-31g+(d).inp 000808423.td-b3lyp_6-31g+(d).log.xz

000808423.td-b3lyp_6-31+g(d).qchem.inp (generated)

000808423.td-b3lyp_6-31+g(d).gjf (generated)

000808423.td-b3lyp_6-31+g(d).firefly.inp (generated)

000808423.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000808423.mol 000808423.PUBCHEM 000808423.mol (via Jmol)
000808425.b3lyp_6-31g(d).inp

000808425.b3lyp_6-31g(d).qchem.inp (generated)

000808425.b3lyp_6-31g(d).gjf (generated)

000808425.b3lyp_6-31g(d).firefly.inp (generated)

000808425.b3lyp_6-31g(d).smash.inp (generated)

000808425.b3lyp_6-31g(d).nwchem.inp (generated) 000808425.b3lyp_6-31g(d).log.xz 000808425.td-b3lyp_6-31g+(d).inp 000808425.td-b3lyp_6-31g+(d).log.xz

000808425.td-b3lyp_6-31+g(d).qchem.inp (generated)

000808425.td-b3lyp_6-31+g(d).gjf (generated)

000808425.td-b3lyp_6-31+g(d).firefly.inp (generated)

000808425.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000808425.mol 000808425.PUBCHEM 000808425.mol (via Jmol)
000808516.b3lyp_6-31g(d).inp

000808516.b3lyp_6-31g(d).qchem.inp (generated)

000808516.b3lyp_6-31g(d).gjf (generated)

000808516.b3lyp_6-31g(d).firefly.inp (generated)

000808516.b3lyp_6-31g(d).smash.inp (generated)

000808516.b3lyp_6-31g(d).nwchem.inp (generated) 000808516.b3lyp_6-31g(d).log.xz 000808516.mol 000808516.PUBCHEM 000808516.mol (via Jmol)
000808518.b3lyp_6-31g(d).inp

000808518.b3lyp_6-31g(d).qchem.inp (generated)

000808518.b3lyp_6-31g(d).gjf (generated)

000808518.b3lyp_6-31g(d).firefly.inp (generated)

000808518.b3lyp_6-31g(d).smash.inp (generated)

000808518.b3lyp_6-31g(d).nwchem.inp (generated) 000808518.b3lyp_6-31g(d).log.xz 000808518.mol 000808518.PUBCHEM 000808518.mol (via Jmol)
000808679.b3lyp_6-31g(d).inp

000808679.b3lyp_6-31g(d).qchem.inp (generated)

000808679.b3lyp_6-31g(d).gjf (generated)

000808679.b3lyp_6-31g(d).firefly.inp (generated)

000808679.b3lyp_6-31g(d).smash.inp (generated)

000808679.b3lyp_6-31g(d).nwchem.inp (generated) 000808679.b3lyp_6-31g(d).log.xz 000808679.td-b3lyp_6-31g+(d).inp 000808679.td-b3lyp_6-31g+(d).log.xz

000808679.td-b3lyp_6-31+g(d).qchem.inp (generated)

000808679.td-b3lyp_6-31+g(d).gjf (generated)

000808679.td-b3lyp_6-31+g(d).firefly.inp (generated)

000808679.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000808679.mol 000808679.PUBCHEM 000808679.mol (via Jmol)
000808680.b3lyp_6-31g(d).inp

000808680.b3lyp_6-31g(d).qchem.inp (generated)

000808680.b3lyp_6-31g(d).gjf (generated)

000808680.b3lyp_6-31g(d).firefly.inp (generated)

000808680.b3lyp_6-31g(d).smash.inp (generated)

000808680.b3lyp_6-31g(d).nwchem.inp (generated) 000808680.b3lyp_6-31g(d).log.xz 000808680.td-b3lyp_6-31g+(d).inp 000808680.td-b3lyp_6-31g+(d).log.xz

000808680.td-b3lyp_6-31+g(d).qchem.inp (generated)

000808680.td-b3lyp_6-31+g(d).gjf (generated)

000808680.td-b3lyp_6-31+g(d).firefly.inp (generated)

000808680.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000808680.mol 000808680.PUBCHEM 000808680.mol (via Jmol)
000808681.b3lyp_6-31g(d).inp

000808681.b3lyp_6-31g(d).qchem.inp (generated)

000808681.b3lyp_6-31g(d).gjf (generated)

000808681.b3lyp_6-31g(d).firefly.inp (generated)

000808681.b3lyp_6-31g(d).smash.inp (generated)

000808681.b3lyp_6-31g(d).nwchem.inp (generated) 000808681.b3lyp_6-31g(d).log.xz 000808681.td-b3lyp_6-31g+(d).inp 000808681.td-b3lyp_6-31g+(d).log.xz

000808681.td-b3lyp_6-31+g(d).qchem.inp (generated)

000808681.td-b3lyp_6-31+g(d).gjf (generated)

000808681.td-b3lyp_6-31+g(d).firefly.inp (generated)

000808681.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000808681.mol 000808681.PUBCHEM 000808681.mol (via Jmol)
000808683.b3lyp_6-31g(d).inp

000808683.b3lyp_6-31g(d).qchem.inp (generated)

000808683.b3lyp_6-31g(d).gjf (generated)

000808683.b3lyp_6-31g(d).firefly.inp (generated)

000808683.b3lyp_6-31g(d).smash.inp (generated)

000808683.b3lyp_6-31g(d).nwchem.inp (generated) 000808683.b3lyp_6-31g(d).log.xz 000808683.td-b3lyp_6-31g+(d).inp 000808683.td-b3lyp_6-31g+(d).log.xz

000808683.td-b3lyp_6-31+g(d).qchem.inp (generated)

000808683.td-b3lyp_6-31+g(d).gjf (generated)

000808683.td-b3lyp_6-31+g(d).firefly.inp (generated)

000808683.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000808683.mol 000808683.PUBCHEM 000808683.mol (via Jmol)
000808692.b3lyp_6-31g(d).inp

000808692.b3lyp_6-31g(d).qchem.inp (generated)

000808692.b3lyp_6-31g(d).gjf (generated)

000808692.b3lyp_6-31g(d).firefly.inp (generated)

000808692.b3lyp_6-31g(d).smash.inp (generated)

000808692.b3lyp_6-31g(d).nwchem.inp (generated) 000808692.b3lyp_6-31g(d).log.xz 000808692.td-b3lyp_6-31g+(d).inp 000808692.td-b3lyp_6-31g+(d).log.xz

000808692.td-b3lyp_6-31+g(d).qchem.inp (generated)

000808692.td-b3lyp_6-31+g(d).gjf (generated)

000808692.td-b3lyp_6-31+g(d).firefly.inp (generated)

000808692.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000808692.mol 000808692.PUBCHEM 000808692.mol (via Jmol)
000808698.b3lyp_6-31g(d).inp

000808698.b3lyp_6-31g(d).qchem.inp (generated)

000808698.b3lyp_6-31g(d).gjf (generated)

000808698.b3lyp_6-31g(d).firefly.inp (generated)

000808698.b3lyp_6-31g(d).smash.inp (generated)

000808698.b3lyp_6-31g(d).nwchem.inp (generated) 000808698.b3lyp_6-31g(d).log.xz 000808698.td-b3lyp_6-31g+(d).inp 000808698.td-b3lyp_6-31g+(d).log.xz

000808698.td-b3lyp_6-31+g(d).qchem.inp (generated)

000808698.td-b3lyp_6-31+g(d).gjf (generated)

000808698.td-b3lyp_6-31+g(d).firefly.inp (generated)

000808698.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000808698.mol 000808698.PUBCHEM 000808698.mol (via Jmol)
000808701.b3lyp_6-31g(d).inp

000808701.b3lyp_6-31g(d).qchem.inp (generated)

000808701.b3lyp_6-31g(d).gjf (generated)

000808701.b3lyp_6-31g(d).firefly.inp (generated)

000808701.b3lyp_6-31g(d).smash.inp (generated)

000808701.b3lyp_6-31g(d).nwchem.inp (generated) 000808701.b3lyp_6-31g(d).log.xz 000808701.mol 000808701.PUBCHEM 000808701.mol (via Jmol)
000808710.b3lyp_6-31g(d).inp

000808710.b3lyp_6-31g(d).qchem.inp (generated)

000808710.b3lyp_6-31g(d).gjf (generated)

000808710.b3lyp_6-31g(d).firefly.inp (generated)

000808710.b3lyp_6-31g(d).smash.inp (generated)

000808710.b3lyp_6-31g(d).nwchem.inp (generated) 000808710.b3lyp_6-31g(d).log.xz 000808710.td-b3lyp_6-31g+(d).inp 000808710.td-b3lyp_6-31g+(d).log.xz

000808710.td-b3lyp_6-31+g(d).qchem.inp (generated)

000808710.td-b3lyp_6-31+g(d).gjf (generated)

000808710.td-b3lyp_6-31+g(d).firefly.inp (generated)

000808710.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000808710.mol 000808710.PUBCHEM 000808710.mol (via Jmol)
000808714.b3lyp_6-31g(d).inp

000808714.b3lyp_6-31g(d).qchem.inp (generated)

000808714.b3lyp_6-31g(d).gjf (generated)

000808714.b3lyp_6-31g(d).firefly.inp (generated)

000808714.b3lyp_6-31g(d).smash.inp (generated)

000808714.b3lyp_6-31g(d).nwchem.inp (generated) 000808714.b3lyp_6-31g(d).log.xz 000808714.td-b3lyp_6-31g+(d).inp 000808714.td-b3lyp_6-31g+(d).log.xz

000808714.td-b3lyp_6-31+g(d).qchem.inp (generated)

000808714.td-b3lyp_6-31+g(d).gjf (generated)

000808714.td-b3lyp_6-31+g(d).firefly.inp (generated)

000808714.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000808714.mol 000808714.PUBCHEM 000808714.mol (via Jmol)
000808715.b3lyp_6-31g(d).inp

000808715.b3lyp_6-31g(d).qchem.inp (generated)

000808715.b3lyp_6-31g(d).gjf (generated)

000808715.b3lyp_6-31g(d).firefly.inp (generated)

000808715.b3lyp_6-31g(d).smash.inp (generated)

000808715.b3lyp_6-31g(d).nwchem.inp (generated) 000808715.b3lyp_6-31g(d).log.xz 000808715.td-b3lyp_6-31g+(d).inp 000808715.td-b3lyp_6-31g+(d).log.xz

000808715.td-b3lyp_6-31+g(d).qchem.inp (generated)

000808715.td-b3lyp_6-31+g(d).gjf (generated)

000808715.td-b3lyp_6-31+g(d).firefly.inp (generated)

000808715.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000808715.mol 000808715.PUBCHEM 000808715.mol (via Jmol)
000808720.b3lyp_6-31g(d).inp

000808720.b3lyp_6-31g(d).qchem.inp (generated)

000808720.b3lyp_6-31g(d).gjf (generated)

000808720.b3lyp_6-31g(d).firefly.inp (generated)

000808720.b3lyp_6-31g(d).smash.inp (generated)

000808720.b3lyp_6-31g(d).nwchem.inp (generated) 000808720.b3lyp_6-31g(d).log.xz 000808720.mol 000808720.PUBCHEM 000808720.mol (via Jmol)
000808722.b3lyp_6-31g(d).inp

000808722.b3lyp_6-31g(d).qchem.inp (generated)

000808722.b3lyp_6-31g(d).gjf (generated)

000808722.b3lyp_6-31g(d).firefly.inp (generated)

000808722.b3lyp_6-31g(d).smash.inp (generated)

000808722.b3lyp_6-31g(d).nwchem.inp (generated) 000808722.b3lyp_6-31g(d).log.xz 000808722.td-b3lyp_6-31g+(d).inp 000808722.td-b3lyp_6-31g+(d).log.xz

000808722.td-b3lyp_6-31+g(d).qchem.inp (generated)

000808722.td-b3lyp_6-31+g(d).gjf (generated)

000808722.td-b3lyp_6-31+g(d).firefly.inp (generated)

000808722.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000808722.mol 000808722.PUBCHEM 000808722.mol (via Jmol)
000808727.b3lyp_6-31g(d).inp

000808727.b3lyp_6-31g(d).qchem.inp (generated)

000808727.b3lyp_6-31g(d).gjf (generated)

000808727.b3lyp_6-31g(d).firefly.inp (generated)

000808727.b3lyp_6-31g(d).smash.inp (generated)

000808727.b3lyp_6-31g(d).nwchem.inp (generated) 000808727.b3lyp_6-31g(d).log.xz 000808727.mol 000808727.PUBCHEM 000808727.mol (via Jmol)
000808760.b3lyp_6-31g(d).inp

000808760.b3lyp_6-31g(d).qchem.inp (generated)

000808760.b3lyp_6-31g(d).gjf (generated)

000808760.b3lyp_6-31g(d).firefly.inp (generated)

000808760.b3lyp_6-31g(d).smash.inp (generated)

000808760.b3lyp_6-31g(d).nwchem.inp (generated) 000808760.b3lyp_6-31g(d).log.xz 000808760.td-b3lyp_6-31g+(d).inp 000808760.td-b3lyp_6-31g+(d).log.xz

000808760.td-b3lyp_6-31+g(d).qchem.inp (generated)

000808760.td-b3lyp_6-31+g(d).gjf (generated)

000808760.td-b3lyp_6-31+g(d).firefly.inp (generated)

000808760.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000808760.mol 000808760.PUBCHEM 000808760.mol (via Jmol)
000808767.b3lyp_6-31g(d).inp

000808767.b3lyp_6-31g(d).qchem.inp (generated)

000808767.b3lyp_6-31g(d).gjf (generated)

000808767.b3lyp_6-31g(d).firefly.inp (generated)

000808767.b3lyp_6-31g(d).smash.inp (generated)

000808767.b3lyp_6-31g(d).nwchem.inp (generated) 000808767.b3lyp_6-31g(d).log.xz 000808767.mol 000808767.PUBCHEM 000808767.mol (via Jmol)
000808777.b3lyp_6-31g(d).inp

000808777.b3lyp_6-31g(d).qchem.inp (generated)

000808777.b3lyp_6-31g(d).gjf (generated)

000808777.b3lyp_6-31g(d).firefly.inp (generated)

000808777.b3lyp_6-31g(d).smash.inp (generated)

000808777.b3lyp_6-31g(d).nwchem.inp (generated) 000808777.b3lyp_6-31g(d).log.xz 000808777.mol 000808777.PUBCHEM 000808777.mol (via Jmol)
000808807.b3lyp_6-31g(d).inp

000808807.b3lyp_6-31g(d).qchem.inp (generated)

000808807.b3lyp_6-31g(d).gjf (generated)

000808807.b3lyp_6-31g(d).firefly.inp (generated)

000808807.b3lyp_6-31g(d).smash.inp (generated)

000808807.b3lyp_6-31g(d).nwchem.inp (generated) 000808807.b3lyp_6-31g(d).log.xz 000808807.td-b3lyp_6-31g+(d).inp 000808807.td-b3lyp_6-31g+(d).log.xz

000808807.td-b3lyp_6-31+g(d).qchem.inp (generated)

000808807.td-b3lyp_6-31+g(d).gjf (generated)

000808807.td-b3lyp_6-31+g(d).firefly.inp (generated)

000808807.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000808807.mol 000808807.PUBCHEM 000808807.mol (via Jmol)
000808809.b3lyp_6-31g(d).inp

000808809.b3lyp_6-31g(d).qchem.inp (generated)

000808809.b3lyp_6-31g(d).gjf (generated)

000808809.b3lyp_6-31g(d).firefly.inp (generated)

000808809.b3lyp_6-31g(d).smash.inp (generated)

000808809.b3lyp_6-31g(d).nwchem.inp (generated) 000808809.b3lyp_6-31g(d).log.xz 000808809.td-b3lyp_6-31g+(d).inp 000808809.td-b3lyp_6-31g+(d).log.xz

000808809.td-b3lyp_6-31+g(d).qchem.inp (generated)

000808809.td-b3lyp_6-31+g(d).gjf (generated)

000808809.td-b3lyp_6-31+g(d).firefly.inp (generated)

000808809.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000808809.mol 000808809.PUBCHEM 000808809.mol (via Jmol)
000808838.b3lyp_6-31g(d).inp

000808838.b3lyp_6-31g(d).qchem.inp (generated)

000808838.b3lyp_6-31g(d).gjf (generated)

000808838.b3lyp_6-31g(d).firefly.inp (generated)

000808838.b3lyp_6-31g(d).smash.inp (generated)

000808838.b3lyp_6-31g(d).nwchem.inp (generated) 000808838.b3lyp_6-31g(d).log.xz 000808838.td-b3lyp_6-31g+(d).inp 000808838.td-b3lyp_6-31g+(d).log.xz

000808838.td-b3lyp_6-31+g(d).qchem.inp (generated)

000808838.td-b3lyp_6-31+g(d).gjf (generated)

000808838.td-b3lyp_6-31+g(d).firefly.inp (generated)

000808838.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000808838.mol 000808838.PUBCHEM 000808838.mol (via Jmol)
000808841.b3lyp_6-31g(d).inp

000808841.b3lyp_6-31g(d).qchem.inp (generated)

000808841.b3lyp_6-31g(d).gjf (generated)

000808841.b3lyp_6-31g(d).firefly.inp (generated)

000808841.b3lyp_6-31g(d).smash.inp (generated)

000808841.b3lyp_6-31g(d).nwchem.inp (generated) 000808841.b3lyp_6-31g(d).log.xz 000808841.td-b3lyp_6-31g+(d).inp 000808841.td-b3lyp_6-31g+(d).log.xz

000808841.td-b3lyp_6-31+g(d).qchem.inp (generated)

000808841.td-b3lyp_6-31+g(d).gjf (generated)

000808841.td-b3lyp_6-31+g(d).firefly.inp (generated)

000808841.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000808841.mol 000808841.PUBCHEM 000808841.mol (via Jmol)
000808872.b3lyp_6-31g(d).inp

000808872.b3lyp_6-31g(d).qchem.inp (generated)

000808872.b3lyp_6-31g(d).gjf (generated)

000808872.b3lyp_6-31g(d).firefly.inp (generated)

000808872.b3lyp_6-31g(d).smash.inp (generated)

000808872.b3lyp_6-31g(d).nwchem.inp (generated) 000808872.b3lyp_6-31g(d).log.xz 000808872.mol 000808872.PUBCHEM 000808872.mol (via Jmol)
000808966.b3lyp_6-31g(d).inp

000808966.b3lyp_6-31g(d).qchem.inp (generated)

000808966.b3lyp_6-31g(d).gjf (generated)

000808966.b3lyp_6-31g(d).firefly.inp (generated)

000808966.b3lyp_6-31g(d).smash.inp (generated)

000808966.b3lyp_6-31g(d).nwchem.inp (generated) 000808966.b3lyp_6-31g(d).log.xz 000808966.td-b3lyp_6-31g+(d).inp 000808966.td-b3lyp_6-31g+(d).log.xz

000808966.td-b3lyp_6-31+g(d).qchem.inp (generated)

000808966.td-b3lyp_6-31+g(d).gjf (generated)

000808966.td-b3lyp_6-31+g(d).firefly.inp (generated)

000808966.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000808966.mol 000808966.PUBCHEM 000808966.mol (via Jmol)
000809120.b3lyp_6-31g(d).inp

000809120.b3lyp_6-31g(d).qchem.inp (generated)

000809120.b3lyp_6-31g(d).gjf (generated)

000809120.b3lyp_6-31g(d).firefly.inp (generated)

000809120.b3lyp_6-31g(d).smash.inp (generated)

000809120.b3lyp_6-31g(d).nwchem.inp (generated) 000809120.b3lyp_6-31g(d).log.xz 000809120.td-b3lyp_6-31g+(d).inp 000809120.td-b3lyp_6-31g+(d).log.xz

000809120.td-b3lyp_6-31+g(d).qchem.inp (generated)

000809120.td-b3lyp_6-31+g(d).gjf (generated)

000809120.td-b3lyp_6-31+g(d).firefly.inp (generated)

000809120.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000809120.mol 000809120.PUBCHEM 000809120.mol (via Jmol)
000809121.b3lyp_6-31g(d).inp

000809121.b3lyp_6-31g(d).qchem.inp (generated)

000809121.b3lyp_6-31g(d).gjf (generated)

000809121.b3lyp_6-31g(d).firefly.inp (generated)

000809121.b3lyp_6-31g(d).smash.inp (generated)

000809121.b3lyp_6-31g(d).nwchem.inp (generated) 000809121.b3lyp_6-31g(d).log.xz 000809121.td-b3lyp_6-31g+(d).inp 000809121.td-b3lyp_6-31g+(d).log.xz

000809121.td-b3lyp_6-31+g(d).qchem.inp (generated)

000809121.td-b3lyp_6-31+g(d).gjf (generated)

000809121.td-b3lyp_6-31+g(d).firefly.inp (generated)

000809121.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000809121.mol 000809121.PUBCHEM 000809121.mol (via Jmol)
000809148.b3lyp_6-31g(d).inp

000809148.b3lyp_6-31g(d).qchem.inp (generated)

000809148.b3lyp_6-31g(d).gjf (generated)

000809148.b3lyp_6-31g(d).firefly.inp (generated)

000809148.b3lyp_6-31g(d).smash.inp (generated)

000809148.b3lyp_6-31g(d).nwchem.inp (generated) 000809148.b3lyp_6-31g(d).log.xz 000809148.td-b3lyp_6-31g+(d).inp 000809148.td-b3lyp_6-31g+(d).log.xz

000809148.td-b3lyp_6-31+g(d).qchem.inp (generated)

000809148.td-b3lyp_6-31+g(d).gjf (generated)

000809148.td-b3lyp_6-31+g(d).firefly.inp (generated)

000809148.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000809148.mol 000809148.PUBCHEM 000809148.mol (via Jmol)
000809153.b3lyp_6-31g(d).inp

000809153.b3lyp_6-31g(d).qchem.inp (generated)

000809153.b3lyp_6-31g(d).gjf (generated)

000809153.b3lyp_6-31g(d).firefly.inp (generated)

000809153.b3lyp_6-31g(d).smash.inp (generated)

000809153.b3lyp_6-31g(d).nwchem.inp (generated) 000809153.b3lyp_6-31g(d).log.xz 000809153.td-b3lyp_6-31g+(d).inp 000809153.td-b3lyp_6-31g+(d).log.xz

000809153.td-b3lyp_6-31+g(d).qchem.inp (generated)

000809153.td-b3lyp_6-31+g(d).gjf (generated)

000809153.td-b3lyp_6-31+g(d).firefly.inp (generated)

000809153.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000809153.mol 000809153.PUBCHEM 000809153.mol (via Jmol)
000809155.b3lyp_6-31g(d).inp

000809155.b3lyp_6-31g(d).qchem.inp (generated)

000809155.b3lyp_6-31g(d).gjf (generated)

000809155.b3lyp_6-31g(d).firefly.inp (generated)

000809155.b3lyp_6-31g(d).smash.inp (generated)

000809155.b3lyp_6-31g(d).nwchem.inp (generated) 000809155.b3lyp_6-31g(d).log.xz 000809155.td-b3lyp_6-31g+(d).inp 000809155.td-b3lyp_6-31g+(d).log.xz

000809155.td-b3lyp_6-31+g(d).qchem.inp (generated)

000809155.td-b3lyp_6-31+g(d).gjf (generated)

000809155.td-b3lyp_6-31+g(d).firefly.inp (generated)

000809155.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000809155.mol 000809155.PUBCHEM 000809155.mol (via Jmol)
000809188.b3lyp_6-31g(d).inp

000809188.b3lyp_6-31g(d).qchem.inp (generated)

000809188.b3lyp_6-31g(d).gjf (generated)

000809188.b3lyp_6-31g(d).firefly.inp (generated)

000809188.b3lyp_6-31g(d).smash.inp (generated)

000809188.b3lyp_6-31g(d).nwchem.inp (generated) 000809188.b3lyp_6-31g(d).log.xz 000809188.td-b3lyp_6-31g+(d).inp 000809188.td-b3lyp_6-31g+(d).log.xz

000809188.td-b3lyp_6-31+g(d).qchem.inp (generated)

000809188.td-b3lyp_6-31+g(d).gjf (generated)

000809188.td-b3lyp_6-31+g(d).firefly.inp (generated)

000809188.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000809188.mol 000809188.PUBCHEM 000809188.mol (via Jmol)
000809206.b3lyp_6-31g(d).inp

000809206.b3lyp_6-31g(d).qchem.inp (generated)

000809206.b3lyp_6-31g(d).gjf (generated)

000809206.b3lyp_6-31g(d).firefly.inp (generated)

000809206.b3lyp_6-31g(d).smash.inp (generated)

000809206.b3lyp_6-31g(d).nwchem.inp (generated) 000809206.b3lyp_6-31g(d).log.xz 000809206.td-b3lyp_6-31g+(d).inp 000809206.td-b3lyp_6-31g+(d).log.xz

000809206.td-b3lyp_6-31+g(d).qchem.inp (generated)

000809206.td-b3lyp_6-31+g(d).gjf (generated)

000809206.td-b3lyp_6-31+g(d).firefly.inp (generated)

000809206.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000809206.mol 000809206.PUBCHEM 000809206.mol (via Jmol)
000809277.b3lyp_6-31g(d).inp

000809277.b3lyp_6-31g(d).qchem.inp (generated)

000809277.b3lyp_6-31g(d).gjf (generated)

000809277.b3lyp_6-31g(d).firefly.inp (generated)

000809277.b3lyp_6-31g(d).smash.inp (generated)

000809277.b3lyp_6-31g(d).nwchem.inp (generated) 000809277.b3lyp_6-31g(d).log.xz 000809277.td-b3lyp_6-31g+(d).inp 000809277.td-b3lyp_6-31g+(d).log.xz

000809277.td-b3lyp_6-31+g(d).qchem.inp (generated)

000809277.td-b3lyp_6-31+g(d).gjf (generated)

000809277.td-b3lyp_6-31+g(d).firefly.inp (generated)

000809277.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000809277.mol 000809277.PUBCHEM 000809277.mol (via Jmol)
000809352.b3lyp_6-31g(d).inp

000809352.b3lyp_6-31g(d).qchem.inp (generated)

000809352.b3lyp_6-31g(d).gjf (generated)

000809352.b3lyp_6-31g(d).firefly.inp (generated)

000809352.b3lyp_6-31g(d).smash.inp (generated)

000809352.b3lyp_6-31g(d).nwchem.inp (generated) 000809352.b3lyp_6-31g(d).log.xz 000809352.td-b3lyp_6-31g+(d).inp 000809352.td-b3lyp_6-31g+(d).log.xz

000809352.td-b3lyp_6-31+g(d).qchem.inp (generated)

000809352.td-b3lyp_6-31+g(d).gjf (generated)

000809352.td-b3lyp_6-31+g(d).firefly.inp (generated)

000809352.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000809352.mol 000809352.PUBCHEM 000809352.mol (via Jmol)
000809367.b3lyp_6-31g(d).inp

000809367.b3lyp_6-31g(d).qchem.inp (generated)

000809367.b3lyp_6-31g(d).gjf (generated)

000809367.b3lyp_6-31g(d).firefly.inp (generated)

000809367.b3lyp_6-31g(d).smash.inp (generated)

000809367.b3lyp_6-31g(d).nwchem.inp (generated) 000809367.b3lyp_6-31g(d).log.xz 000809367.td-b3lyp_6-31g+(d).inp 000809367.td-b3lyp_6-31g+(d).log.xz

000809367.td-b3lyp_6-31+g(d).qchem.inp (generated)

000809367.td-b3lyp_6-31+g(d).gjf (generated)

000809367.td-b3lyp_6-31+g(d).firefly.inp (generated)

000809367.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000809367.mol 000809367.PUBCHEM 000809367.mol (via Jmol)
000809411.b3lyp_6-31g(d).inp

000809411.b3lyp_6-31g(d).qchem.inp (generated)

000809411.b3lyp_6-31g(d).gjf (generated)

000809411.b3lyp_6-31g(d).firefly.inp (generated)

000809411.b3lyp_6-31g(d).smash.inp (generated)

000809411.b3lyp_6-31g(d).nwchem.inp (generated) 000809411.b3lyp_6-31g(d).log.xz 000809411.td-b3lyp_6-31g+(d).inp 000809411.td-b3lyp_6-31g+(d).log.xz

000809411.td-b3lyp_6-31+g(d).qchem.inp (generated)

000809411.td-b3lyp_6-31+g(d).gjf (generated)

000809411.td-b3lyp_6-31+g(d).firefly.inp (generated)

000809411.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000809411.mol 000809411.PUBCHEM 000809411.mol (via Jmol)
000809481.b3lyp_6-31g(d).inp

000809481.b3lyp_6-31g(d).qchem.inp (generated)

000809481.b3lyp_6-31g(d).gjf (generated)

000809481.b3lyp_6-31g(d).firefly.inp (generated)

000809481.b3lyp_6-31g(d).smash.inp (generated)

000809481.b3lyp_6-31g(d).nwchem.inp (generated) 000809481.b3lyp_6-31g(d).log.xz 000809481.td-b3lyp_6-31g+(d).inp 000809481.td-b3lyp_6-31g+(d).log.xz

000809481.td-b3lyp_6-31+g(d).qchem.inp (generated)

000809481.td-b3lyp_6-31+g(d).gjf (generated)

000809481.td-b3lyp_6-31+g(d).firefly.inp (generated)

000809481.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000809481.mol 000809481.PUBCHEM 000809481.mol (via Jmol)
000809483.b3lyp_6-31g(d).inp

000809483.b3lyp_6-31g(d).qchem.inp (generated)

000809483.b3lyp_6-31g(d).gjf (generated)

000809483.b3lyp_6-31g(d).firefly.inp (generated)

000809483.b3lyp_6-31g(d).smash.inp (generated)

000809483.b3lyp_6-31g(d).nwchem.inp (generated) 000809483.b3lyp_6-31g(d).log.xz 000809483.mol 000809483.PUBCHEM 000809483.mol (via Jmol)
000809544.b3lyp_6-31g(d).inp

000809544.b3lyp_6-31g(d).qchem.inp (generated)

000809544.b3lyp_6-31g(d).gjf (generated)

000809544.b3lyp_6-31g(d).firefly.inp (generated)

000809544.b3lyp_6-31g(d).smash.inp (generated)

000809544.b3lyp_6-31g(d).nwchem.inp (generated) 000809544.b3lyp_6-31g(d).log.xz 000809544.td-b3lyp_6-31g+(d).inp 000809544.td-b3lyp_6-31g+(d).log.xz

000809544.td-b3lyp_6-31+g(d).qchem.inp (generated)

000809544.td-b3lyp_6-31+g(d).gjf (generated)

000809544.td-b3lyp_6-31+g(d).firefly.inp (generated)

000809544.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000809544.mol 000809544.PUBCHEM 000809544.mol (via Jmol)
000809556.b3lyp_6-31g(d).inp

000809556.b3lyp_6-31g(d).qchem.inp (generated)

000809556.b3lyp_6-31g(d).gjf (generated)

000809556.b3lyp_6-31g(d).firefly.inp (generated)

000809556.b3lyp_6-31g(d).smash.inp (generated)

000809556.b3lyp_6-31g(d).nwchem.inp (generated) 000809556.b3lyp_6-31g(d).log.xz 000809556.td-b3lyp_6-31g+(d).inp 000809556.td-b3lyp_6-31g+(d).log.xz

000809556.td-b3lyp_6-31+g(d).qchem.inp (generated)

000809556.td-b3lyp_6-31+g(d).gjf (generated)

000809556.td-b3lyp_6-31+g(d).firefly.inp (generated)

000809556.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000809556.mol 000809556.PUBCHEM 000809556.mol (via Jmol)
000809570.b3lyp_6-31g(d).inp

000809570.b3lyp_6-31g(d).qchem.inp (generated)

000809570.b3lyp_6-31g(d).gjf (generated)

000809570.b3lyp_6-31g(d).firefly.inp (generated)

000809570.b3lyp_6-31g(d).smash.inp (generated)

000809570.b3lyp_6-31g(d).nwchem.inp (generated) 000809570.b3lyp_6-31g(d).log.xz 000809570.mol 000809570.PUBCHEM 000809570.mol (via Jmol)
000809592.b3lyp_6-31g(d).inp

000809592.b3lyp_6-31g(d).qchem.inp (generated)

000809592.b3lyp_6-31g(d).gjf (generated)

000809592.b3lyp_6-31g(d).firefly.inp (generated)

000809592.b3lyp_6-31g(d).smash.inp (generated)

000809592.b3lyp_6-31g(d).nwchem.inp (generated) 000809592.b3lyp_6-31g(d).log.xz 000809592.td-b3lyp_6-31g+(d).inp 000809592.td-b3lyp_6-31g+(d).log.xz

000809592.td-b3lyp_6-31+g(d).qchem.inp (generated)

000809592.td-b3lyp_6-31+g(d).gjf (generated)

000809592.td-b3lyp_6-31+g(d).firefly.inp (generated)

000809592.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000809592.mol 000809592.PUBCHEM 000809592.mol (via Jmol)
000809624.b3lyp_6-31g(d).inp

000809624.b3lyp_6-31g(d).qchem.inp (generated)

000809624.b3lyp_6-31g(d).gjf (generated)

000809624.b3lyp_6-31g(d).firefly.inp (generated)

000809624.b3lyp_6-31g(d).smash.inp (generated)

000809624.b3lyp_6-31g(d).nwchem.inp (generated) 000809624.b3lyp_6-31g(d).log.xz 000809624.td-b3lyp_6-31g+(d).inp 000809624.td-b3lyp_6-31g+(d).log.xz

000809624.td-b3lyp_6-31+g(d).qchem.inp (generated)

000809624.td-b3lyp_6-31+g(d).gjf (generated)

000809624.td-b3lyp_6-31+g(d).firefly.inp (generated)

000809624.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000809624.mol 000809624.PUBCHEM 000809624.mol (via Jmol)
000809626.b3lyp_6-31g(d).inp

000809626.b3lyp_6-31g(d).qchem.inp (generated)

000809626.b3lyp_6-31g(d).gjf (generated)

000809626.b3lyp_6-31g(d).firefly.inp (generated)

000809626.b3lyp_6-31g(d).smash.inp (generated)

000809626.b3lyp_6-31g(d).nwchem.inp (generated) 000809626.b3lyp_6-31g(d).log.xz 000809626.td-b3lyp_6-31g+(d).inp 000809626.td-b3lyp_6-31g+(d).log.xz

000809626.td-b3lyp_6-31+g(d).qchem.inp (generated)

000809626.td-b3lyp_6-31+g(d).gjf (generated)

000809626.td-b3lyp_6-31+g(d).firefly.inp (generated)

000809626.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000809626.mol 000809626.PUBCHEM 000809626.mol (via Jmol)
000809636.b3lyp_6-31g(d).inp

000809636.b3lyp_6-31g(d).qchem.inp (generated)

000809636.b3lyp_6-31g(d).gjf (generated)

000809636.b3lyp_6-31g(d).firefly.inp (generated)

000809636.b3lyp_6-31g(d).smash.inp (generated)

000809636.b3lyp_6-31g(d).nwchem.inp (generated) 000809636.b3lyp_6-31g(d).log.xz 000809636.td-b3lyp_6-31g+(d).inp 000809636.td-b3lyp_6-31g+(d).log.xz

000809636.td-b3lyp_6-31+g(d).qchem.inp (generated)

000809636.td-b3lyp_6-31+g(d).gjf (generated)

000809636.td-b3lyp_6-31+g(d).firefly.inp (generated)

000809636.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000809636.mol 000809636.PUBCHEM 000809636.mol (via Jmol)
000809639.b3lyp_6-31g(d).inp

000809639.b3lyp_6-31g(d).qchem.inp (generated)

000809639.b3lyp_6-31g(d).gjf (generated)

000809639.b3lyp_6-31g(d).firefly.inp (generated)

000809639.b3lyp_6-31g(d).smash.inp (generated)

000809639.b3lyp_6-31g(d).nwchem.inp (generated) 000809639.b3lyp_6-31g(d).log.xz 000809639.td-b3lyp_6-31g+(d).inp 000809639.td-b3lyp_6-31g+(d).log.xz

000809639.td-b3lyp_6-31+g(d).qchem.inp (generated)

000809639.td-b3lyp_6-31+g(d).gjf (generated)

000809639.td-b3lyp_6-31+g(d).firefly.inp (generated)

000809639.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000809639.mol 000809639.PUBCHEM 000809639.mol (via Jmol)
000809641.b3lyp_6-31g(d).inp

000809641.b3lyp_6-31g(d).qchem.inp (generated)

000809641.b3lyp_6-31g(d).gjf (generated)

000809641.b3lyp_6-31g(d).firefly.inp (generated)

000809641.b3lyp_6-31g(d).smash.inp (generated)

000809641.b3lyp_6-31g(d).nwchem.inp (generated) 000809641.b3lyp_6-31g(d).log.xz 000809641.mol 000809641.PUBCHEM 000809641.mol (via Jmol)
000809648.b3lyp_6-31g(d).inp

000809648.b3lyp_6-31g(d).qchem.inp (generated)

000809648.b3lyp_6-31g(d).gjf (generated)

000809648.b3lyp_6-31g(d).firefly.inp (generated)

000809648.b3lyp_6-31g(d).smash.inp (generated)

000809648.b3lyp_6-31g(d).nwchem.inp (generated) 000809648.b3lyp_6-31g(d).log.xz 000809648.td-b3lyp_6-31g+(d).inp 000809648.td-b3lyp_6-31g+(d).log.xz

000809648.td-b3lyp_6-31+g(d).qchem.inp (generated)

000809648.td-b3lyp_6-31+g(d).gjf (generated)

000809648.td-b3lyp_6-31+g(d).firefly.inp (generated)

000809648.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000809648.mol 000809648.PUBCHEM 000809648.mol (via Jmol)
000809694.b3lyp_6-31g(d).inp

000809694.b3lyp_6-31g(d).qchem.inp (generated)

000809694.b3lyp_6-31g(d).gjf (generated)

000809694.b3lyp_6-31g(d).firefly.inp (generated)

000809694.b3lyp_6-31g(d).smash.inp (generated)

000809694.b3lyp_6-31g(d).nwchem.inp (generated) 000809694.b3lyp_6-31g(d).log.xz 000809694.td-b3lyp_6-31g+(d).inp 000809694.td-b3lyp_6-31g+(d).log.xz

000809694.td-b3lyp_6-31+g(d).qchem.inp (generated)

000809694.td-b3lyp_6-31+g(d).gjf (generated)

000809694.td-b3lyp_6-31+g(d).firefly.inp (generated)

000809694.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000809694.mol 000809694.PUBCHEM 000809694.mol (via Jmol)
000809697.b3lyp_6-31g(d).inp

000809697.b3lyp_6-31g(d).qchem.inp (generated)

000809697.b3lyp_6-31g(d).gjf (generated)

000809697.b3lyp_6-31g(d).firefly.inp (generated)

000809697.b3lyp_6-31g(d).smash.inp (generated)

000809697.b3lyp_6-31g(d).nwchem.inp (generated) 000809697.b3lyp_6-31g(d).log.xz 000809697.td-b3lyp_6-31g+(d).inp 000809697.td-b3lyp_6-31g+(d).log.xz

000809697.td-b3lyp_6-31+g(d).qchem.inp (generated)

000809697.td-b3lyp_6-31+g(d).gjf (generated)

000809697.td-b3lyp_6-31+g(d).firefly.inp (generated)

000809697.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000809697.mol 000809697.PUBCHEM 000809697.mol (via Jmol)
000809719.b3lyp_6-31g(d).inp

000809719.b3lyp_6-31g(d).qchem.inp (generated)

000809719.b3lyp_6-31g(d).gjf (generated)

000809719.b3lyp_6-31g(d).firefly.inp (generated)

000809719.b3lyp_6-31g(d).smash.inp (generated)

000809719.b3lyp_6-31g(d).nwchem.inp (generated) 000809719.b3lyp_6-31g(d).log.xz 000809719.mol 000809719.PUBCHEM 000809719.mol (via Jmol)
000809775.b3lyp_6-31g(d).inp

000809775.b3lyp_6-31g(d).qchem.inp (generated)

000809775.b3lyp_6-31g(d).gjf (generated)

000809775.b3lyp_6-31g(d).firefly.inp (generated)

000809775.b3lyp_6-31g(d).smash.inp (generated)

000809775.b3lyp_6-31g(d).nwchem.inp (generated) 000809775.b3lyp_6-31g(d).log.xz 000809775.td-b3lyp_6-31g+(d).inp 000809775.td-b3lyp_6-31g+(d).log.xz

000809775.td-b3lyp_6-31+g(d).qchem.inp (generated)

000809775.td-b3lyp_6-31+g(d).gjf (generated)

000809775.td-b3lyp_6-31+g(d).firefly.inp (generated)

000809775.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000809775.mol 000809775.PUBCHEM 000809775.mol (via Jmol)
000809778.b3lyp_6-31g(d).inp

000809778.b3lyp_6-31g(d).qchem.inp (generated)

000809778.b3lyp_6-31g(d).gjf (generated)

000809778.b3lyp_6-31g(d).firefly.inp (generated)

000809778.b3lyp_6-31g(d).smash.inp (generated)

000809778.b3lyp_6-31g(d).nwchem.inp (generated) 000809778.b3lyp_6-31g(d).log.xz 000809778.td-b3lyp_6-31g+(d).inp 000809778.td-b3lyp_6-31g+(d).log.xz

000809778.td-b3lyp_6-31+g(d).qchem.inp (generated)

000809778.td-b3lyp_6-31+g(d).gjf (generated)

000809778.td-b3lyp_6-31+g(d).firefly.inp (generated)

000809778.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000809778.mol 000809778.PUBCHEM 000809778.mol (via Jmol)
000809784.b3lyp_6-31g(d).inp

000809784.b3lyp_6-31g(d).qchem.inp (generated)

000809784.b3lyp_6-31g(d).gjf (generated)

000809784.b3lyp_6-31g(d).firefly.inp (generated)

000809784.b3lyp_6-31g(d).smash.inp (generated)

000809784.b3lyp_6-31g(d).nwchem.inp (generated) 000809784.b3lyp_6-31g(d).log.xz 000809784.td-b3lyp_6-31g+(d).inp 000809784.td-b3lyp_6-31g+(d).log.xz

000809784.td-b3lyp_6-31+g(d).qchem.inp (generated)

000809784.td-b3lyp_6-31+g(d).gjf (generated)

000809784.td-b3lyp_6-31+g(d).firefly.inp (generated)

000809784.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000809784.mol 000809784.PUBCHEM 000809784.mol (via Jmol)
000809792.b3lyp_6-31g(d).inp

000809792.b3lyp_6-31g(d).qchem.inp (generated)

000809792.b3lyp_6-31g(d).gjf (generated)

000809792.b3lyp_6-31g(d).firefly.inp (generated)

000809792.b3lyp_6-31g(d).smash.inp (generated)

000809792.b3lyp_6-31g(d).nwchem.inp (generated) 000809792.b3lyp_6-31g(d).log.xz 000809792.td-b3lyp_6-31g+(d).inp 000809792.td-b3lyp_6-31g+(d).log.xz

000809792.td-b3lyp_6-31+g(d).qchem.inp (generated)

000809792.td-b3lyp_6-31+g(d).gjf (generated)

000809792.td-b3lyp_6-31+g(d).firefly.inp (generated)

000809792.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000809792.mol 000809792.PUBCHEM 000809792.mol (via Jmol)
000809795.b3lyp_6-31g(d).inp

000809795.b3lyp_6-31g(d).qchem.inp (generated)

000809795.b3lyp_6-31g(d).gjf (generated)

000809795.b3lyp_6-31g(d).firefly.inp (generated)

000809795.b3lyp_6-31g(d).smash.inp (generated)

000809795.b3lyp_6-31g(d).nwchem.inp (generated) 000809795.b3lyp_6-31g(d).log.xz 000809795.td-b3lyp_6-31g+(d).inp 000809795.td-b3lyp_6-31g+(d).log.xz

000809795.td-b3lyp_6-31+g(d).qchem.inp (generated)

000809795.td-b3lyp_6-31+g(d).gjf (generated)

000809795.td-b3lyp_6-31+g(d).firefly.inp (generated)

000809795.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000809795.mol 000809795.PUBCHEM 000809795.mol (via Jmol)
000809797.b3lyp_6-31g(d).inp

000809797.b3lyp_6-31g(d).qchem.inp (generated)

000809797.b3lyp_6-31g(d).gjf (generated)

000809797.b3lyp_6-31g(d).firefly.inp (generated)

000809797.b3lyp_6-31g(d).smash.inp (generated)

000809797.b3lyp_6-31g(d).nwchem.inp (generated) 000809797.b3lyp_6-31g(d).log.xz 000809797.td-b3lyp_6-31g+(d).inp 000809797.td-b3lyp_6-31g+(d).log.xz

000809797.td-b3lyp_6-31+g(d).qchem.inp (generated)

000809797.td-b3lyp_6-31+g(d).gjf (generated)

000809797.td-b3lyp_6-31+g(d).firefly.inp (generated)

000809797.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000809797.mol 000809797.PUBCHEM 000809797.mol (via Jmol)
000809800.b3lyp_6-31g(d).inp

000809800.b3lyp_6-31g(d).qchem.inp (generated)

000809800.b3lyp_6-31g(d).gjf (generated)

000809800.b3lyp_6-31g(d).firefly.inp (generated)

000809800.b3lyp_6-31g(d).smash.inp (generated)

000809800.b3lyp_6-31g(d).nwchem.inp (generated) 000809800.b3lyp_6-31g(d).log.xz 000809800.td-b3lyp_6-31g+(d).inp 000809800.td-b3lyp_6-31g+(d).log.xz

000809800.td-b3lyp_6-31+g(d).qchem.inp (generated)

000809800.td-b3lyp_6-31+g(d).gjf (generated)

000809800.td-b3lyp_6-31+g(d).firefly.inp (generated)

000809800.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000809800.mol 000809800.PUBCHEM 000809800.mol (via Jmol)
000809821.b3lyp_6-31g(d).inp

000809821.b3lyp_6-31g(d).qchem.inp (generated)

000809821.b3lyp_6-31g(d).gjf (generated)

000809821.b3lyp_6-31g(d).firefly.inp (generated)

000809821.b3lyp_6-31g(d).smash.inp (generated)

000809821.b3lyp_6-31g(d).nwchem.inp (generated) 000809821.b3lyp_6-31g(d).log.xz 000809821.td-b3lyp_6-31g+(d).inp 000809821.td-b3lyp_6-31g+(d).log.xz

000809821.td-b3lyp_6-31+g(d).qchem.inp (generated)

000809821.td-b3lyp_6-31+g(d).gjf (generated)

000809821.td-b3lyp_6-31+g(d).firefly.inp (generated)

000809821.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000809821.mol 000809821.PUBCHEM 000809821.mol (via Jmol)
000809852.b3lyp_6-31g(d).inp

000809852.b3lyp_6-31g(d).qchem.inp (generated)

000809852.b3lyp_6-31g(d).gjf (generated)

000809852.b3lyp_6-31g(d).firefly.inp (generated)

000809852.b3lyp_6-31g(d).smash.inp (generated)

000809852.b3lyp_6-31g(d).nwchem.inp (generated) 000809852.b3lyp_6-31g(d).log.xz 000809852.mol 000809852.PUBCHEM 000809852.mol (via Jmol)
000809871.b3lyp_6-31g(d).inp

000809871.b3lyp_6-31g(d).qchem.inp (generated)

000809871.b3lyp_6-31g(d).gjf (generated)

000809871.b3lyp_6-31g(d).firefly.inp (generated)

000809871.b3lyp_6-31g(d).smash.inp (generated)

000809871.b3lyp_6-31g(d).nwchem.inp (generated) 000809871.b3lyp_6-31g(d).log.xz 000809871.td-b3lyp_6-31g+(d).inp 000809871.td-b3lyp_6-31g+(d).log.xz

000809871.td-b3lyp_6-31+g(d).qchem.inp (generated)

000809871.td-b3lyp_6-31+g(d).gjf (generated)

000809871.td-b3lyp_6-31+g(d).firefly.inp (generated)

000809871.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000809871.mol 000809871.PUBCHEM 000809871.mol (via Jmol)
000809945.b3lyp_6-31g(d).inp

000809945.b3lyp_6-31g(d).qchem.inp (generated)

000809945.b3lyp_6-31g(d).gjf (generated)

000809945.b3lyp_6-31g(d).firefly.inp (generated)

000809945.b3lyp_6-31g(d).smash.inp (generated)

000809945.b3lyp_6-31g(d).nwchem.inp (generated) 000809945.b3lyp_6-31g(d).log.xz 000809945.td-b3lyp_6-31g+(d).inp 000809945.td-b3lyp_6-31g+(d).log.xz

000809945.td-b3lyp_6-31+g(d).qchem.inp (generated)

000809945.td-b3lyp_6-31+g(d).gjf (generated)

000809945.td-b3lyp_6-31+g(d).firefly.inp (generated)

000809945.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000809945.mol 000809945.PUBCHEM 000809945.mol (via Jmol)
000809946.b3lyp_6-31g(d).inp

000809946.b3lyp_6-31g(d).qchem.inp (generated)

000809946.b3lyp_6-31g(d).gjf (generated)

000809946.b3lyp_6-31g(d).firefly.inp (generated)

000809946.b3lyp_6-31g(d).smash.inp (generated)

000809946.b3lyp_6-31g(d).nwchem.inp (generated) 000809946.b3lyp_6-31g(d).log.xz 000809946.td-b3lyp_6-31g+(d).inp 000809946.td-b3lyp_6-31g+(d).log.xz

000809946.td-b3lyp_6-31+g(d).qchem.inp (generated)

000809946.td-b3lyp_6-31+g(d).gjf (generated)

000809946.td-b3lyp_6-31+g(d).firefly.inp (generated)

000809946.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000809946.mol 000809946.PUBCHEM 000809946.mol (via Jmol)
000809949.b3lyp_6-31g(d).inp

000809949.b3lyp_6-31g(d).qchem.inp (generated)

000809949.b3lyp_6-31g(d).gjf (generated)

000809949.b3lyp_6-31g(d).firefly.inp (generated)

000809949.b3lyp_6-31g(d).smash.inp (generated)

000809949.b3lyp_6-31g(d).nwchem.inp (generated) 000809949.b3lyp_6-31g(d).log.xz 000809949.mol 000809949.PUBCHEM 000809949.mol (via Jmol)
000809951.b3lyp_6-31g(d).inp

000809951.b3lyp_6-31g(d).qchem.inp (generated)

000809951.b3lyp_6-31g(d).gjf (generated)

000809951.b3lyp_6-31g(d).firefly.inp (generated)

000809951.b3lyp_6-31g(d).smash.inp (generated)

000809951.b3lyp_6-31g(d).nwchem.inp (generated) 000809951.b3lyp_6-31g(d).log.xz 000809951.td-b3lyp_6-31g+(d).inp 000809951.td-b3lyp_6-31g+(d).log.xz

000809951.td-b3lyp_6-31+g(d).qchem.inp (generated)

000809951.td-b3lyp_6-31+g(d).gjf (generated)

000809951.td-b3lyp_6-31+g(d).firefly.inp (generated)

000809951.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000809951.mol 000809951.PUBCHEM 000809951.mol (via Jmol)
000810003.b3lyp_6-31g(d).inp

000810003.b3lyp_6-31g(d).qchem.inp (generated)

000810003.b3lyp_6-31g(d).gjf (generated)

000810003.b3lyp_6-31g(d).firefly.inp (generated)

000810003.b3lyp_6-31g(d).smash.inp (generated)

000810003.b3lyp_6-31g(d).nwchem.inp (generated) 000810003.b3lyp_6-31g(d).log.xz 000810003.td-b3lyp_6-31g+(d).inp 000810003.td-b3lyp_6-31g+(d).log.xz

000810003.td-b3lyp_6-31+g(d).qchem.inp (generated)

000810003.td-b3lyp_6-31+g(d).gjf (generated)

000810003.td-b3lyp_6-31+g(d).firefly.inp (generated)

000810003.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000810003.mol 000810003.PUBCHEM 000810003.mol (via Jmol)
000810018.b3lyp_6-31g(d).inp

000810018.b3lyp_6-31g(d).qchem.inp (generated)

000810018.b3lyp_6-31g(d).gjf (generated)

000810018.b3lyp_6-31g(d).firefly.inp (generated)

000810018.b3lyp_6-31g(d).smash.inp (generated)

000810018.b3lyp_6-31g(d).nwchem.inp (generated) 000810018.b3lyp_6-31g(d).log.xz 000810018.td-b3lyp_6-31g+(d).inp 000810018.td-b3lyp_6-31g+(d).log.xz

000810018.td-b3lyp_6-31+g(d).qchem.inp (generated)

000810018.td-b3lyp_6-31+g(d).gjf (generated)

000810018.td-b3lyp_6-31+g(d).firefly.inp (generated)

000810018.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000810018.mol 000810018.PUBCHEM 000810018.mol (via Jmol)
000810019.b3lyp_6-31g(d).inp

000810019.b3lyp_6-31g(d).qchem.inp (generated)

000810019.b3lyp_6-31g(d).gjf (generated)

000810019.b3lyp_6-31g(d).firefly.inp (generated)

000810019.b3lyp_6-31g(d).smash.inp (generated)

000810019.b3lyp_6-31g(d).nwchem.inp (generated) 000810019.b3lyp_6-31g(d).log.xz 000810019.td-b3lyp_6-31g+(d).inp 000810019.td-b3lyp_6-31g+(d).log.xz

000810019.td-b3lyp_6-31+g(d).qchem.inp (generated)

000810019.td-b3lyp_6-31+g(d).gjf (generated)

000810019.td-b3lyp_6-31+g(d).firefly.inp (generated)

000810019.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000810019.mol 000810019.PUBCHEM 000810019.mol (via Jmol)
000810022.b3lyp_6-31g(d).inp

000810022.b3lyp_6-31g(d).qchem.inp (generated)

000810022.b3lyp_6-31g(d).gjf (generated)

000810022.b3lyp_6-31g(d).firefly.inp (generated)

000810022.b3lyp_6-31g(d).smash.inp (generated)

000810022.b3lyp_6-31g(d).nwchem.inp (generated) 000810022.b3lyp_6-31g(d).log.xz 000810022.mol 000810022.PUBCHEM 000810022.mol (via Jmol)
000810025.b3lyp_6-31g(d).inp

000810025.b3lyp_6-31g(d).qchem.inp (generated)

000810025.b3lyp_6-31g(d).gjf (generated)

000810025.b3lyp_6-31g(d).firefly.inp (generated)

000810025.b3lyp_6-31g(d).smash.inp (generated)

000810025.b3lyp_6-31g(d).nwchem.inp (generated) 000810025.b3lyp_6-31g(d).log.xz 000810025.td-b3lyp_6-31g+(d).inp 000810025.td-b3lyp_6-31g+(d).log.xz

000810025.td-b3lyp_6-31+g(d).qchem.inp (generated)

000810025.td-b3lyp_6-31+g(d).gjf (generated)

000810025.td-b3lyp_6-31+g(d).firefly.inp (generated)

000810025.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000810025.mol 000810025.PUBCHEM 000810025.mol (via Jmol)
000810038.b3lyp_6-31g(d).inp

000810038.b3lyp_6-31g(d).qchem.inp (generated)

000810038.b3lyp_6-31g(d).gjf (generated)

000810038.b3lyp_6-31g(d).firefly.inp (generated)

000810038.b3lyp_6-31g(d).smash.inp (generated)

000810038.b3lyp_6-31g(d).nwchem.inp (generated) 000810038.b3lyp_6-31g(d).log.xz 000810038.td-b3lyp_6-31g+(d).inp 000810038.td-b3lyp_6-31g+(d).log.xz

000810038.td-b3lyp_6-31+g(d).qchem.inp (generated)

000810038.td-b3lyp_6-31+g(d).gjf (generated)

000810038.td-b3lyp_6-31+g(d).firefly.inp (generated)

000810038.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000810038.mol 000810038.PUBCHEM 000810038.mol (via Jmol)
000810039.b3lyp_6-31g(d).inp

000810039.b3lyp_6-31g(d).qchem.inp (generated)

000810039.b3lyp_6-31g(d).gjf (generated)

000810039.b3lyp_6-31g(d).firefly.inp (generated)

000810039.b3lyp_6-31g(d).smash.inp (generated)

000810039.b3lyp_6-31g(d).nwchem.inp (generated) 000810039.b3lyp_6-31g(d).log.xz 000810039.td-b3lyp_6-31g+(d).inp 000810039.td-b3lyp_6-31g+(d).log.xz

000810039.td-b3lyp_6-31+g(d).qchem.inp (generated)

000810039.td-b3lyp_6-31+g(d).gjf (generated)

000810039.td-b3lyp_6-31+g(d).firefly.inp (generated)

000810039.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000810039.mol 000810039.PUBCHEM 000810039.mol (via Jmol)
000810063.b3lyp_6-31g(d).inp

000810063.b3lyp_6-31g(d).qchem.inp (generated)

000810063.b3lyp_6-31g(d).gjf (generated)

000810063.b3lyp_6-31g(d).firefly.inp (generated)

000810063.b3lyp_6-31g(d).smash.inp (generated)

000810063.b3lyp_6-31g(d).nwchem.inp (generated) 000810