Index of

Last updated : Thu Feb 23 01:59:54 JST 2017
Total : 156 (107) in this page
000975026.b3lyp_6-31g(d).inp

000975026.b3lyp_6-31g(d).qchem.inp (generated)

000975026.b3lyp_6-31g(d).gjf (generated)

000975026.b3lyp_6-31g(d).firefly.inp (generated)

000975026.b3lyp_6-31g(d).smash.inp (generated)

000975026.b3lyp_6-31g(d).nwchem.inp (generated) 000975026.b3lyp_6-31g(d).log.xz 000975026.td-b3lyp_6-31g+(d).inp 000975026.td-b3lyp_6-31g+(d).log.xz

000975026.td-b3lyp_6-31+g(d).qchem.inp (generated)

000975026.td-b3lyp_6-31+g(d).gjf (generated)

000975026.td-b3lyp_6-31+g(d).firefly.inp (generated)

000975026.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000975026.mol 000975026.PUBCHEM 000975026.mol (via Jmol)
000975051.b3lyp_6-31g(d).inp

000975051.b3lyp_6-31g(d).qchem.inp (generated)

000975051.b3lyp_6-31g(d).gjf (generated)

000975051.b3lyp_6-31g(d).firefly.inp (generated)

000975051.b3lyp_6-31g(d).smash.inp (generated)

000975051.b3lyp_6-31g(d).nwchem.inp (generated) 000975051.b3lyp_6-31g(d).log.xz 000975051.mol 000975051.PUBCHEM 000975051.mol (via Jmol)
000975064.b3lyp_6-31g(d).inp

000975064.b3lyp_6-31g(d).qchem.inp (generated)

000975064.b3lyp_6-31g(d).gjf (generated)

000975064.b3lyp_6-31g(d).firefly.inp (generated)

000975064.b3lyp_6-31g(d).smash.inp (generated)

000975064.b3lyp_6-31g(d).nwchem.inp (generated) 000975064.b3lyp_6-31g(d).log.xz 000975064.td-b3lyp_6-31g+(d).inp 000975064.td-b3lyp_6-31g+(d).log.xz

000975064.td-b3lyp_6-31+g(d).qchem.inp (generated)

000975064.td-b3lyp_6-31+g(d).gjf (generated)

000975064.td-b3lyp_6-31+g(d).firefly.inp (generated)

000975064.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000975064.mol 000975064.PUBCHEM 000975064.mol (via Jmol)
000975066.b3lyp_6-31g(d).inp

000975066.b3lyp_6-31g(d).qchem.inp (generated)

000975066.b3lyp_6-31g(d).gjf (generated)

000975066.b3lyp_6-31g(d).firefly.inp (generated)

000975066.b3lyp_6-31g(d).smash.inp (generated)

000975066.b3lyp_6-31g(d).nwchem.inp (generated) 000975066.b3lyp_6-31g(d).log.xz 000975066.td-b3lyp_6-31g+(d).inp 000975066.td-b3lyp_6-31g+(d).log.xz

000975066.td-b3lyp_6-31+g(d).qchem.inp (generated)

000975066.td-b3lyp_6-31+g(d).gjf (generated)

000975066.td-b3lyp_6-31+g(d).firefly.inp (generated)

000975066.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000975066.mol 000975066.PUBCHEM 000975066.mol (via Jmol)
000975072.b3lyp_6-31g(d).inp

000975072.b3lyp_6-31g(d).qchem.inp (generated)

000975072.b3lyp_6-31g(d).gjf (generated)

000975072.b3lyp_6-31g(d).firefly.inp (generated)

000975072.b3lyp_6-31g(d).smash.inp (generated)

000975072.b3lyp_6-31g(d).nwchem.inp (generated) 000975072.b3lyp_6-31g(d).log.xz 000975072.mol 000975072.PUBCHEM 000975072.mol (via Jmol)
000975097.b3lyp_6-31g(d).inp

000975097.b3lyp_6-31g(d).qchem.inp (generated)

000975097.b3lyp_6-31g(d).gjf (generated)

000975097.b3lyp_6-31g(d).firefly.inp (generated)

000975097.b3lyp_6-31g(d).smash.inp (generated)

000975097.b3lyp_6-31g(d).nwchem.inp (generated) 000975097.b3lyp_6-31g(d).log.xz 000975097.td-b3lyp_6-31g+(d).inp 000975097.td-b3lyp_6-31g+(d).log.xz

000975097.td-b3lyp_6-31+g(d).qchem.inp (generated)

000975097.td-b3lyp_6-31+g(d).gjf (generated)

000975097.td-b3lyp_6-31+g(d).firefly.inp (generated)

000975097.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000975097.mol 000975097.PUBCHEM 000975097.mol (via Jmol)
000975125.b3lyp_6-31g(d).inp

000975125.b3lyp_6-31g(d).qchem.inp (generated)

000975125.b3lyp_6-31g(d).gjf (generated)

000975125.b3lyp_6-31g(d).firefly.inp (generated)

000975125.b3lyp_6-31g(d).smash.inp (generated)

000975125.b3lyp_6-31g(d).nwchem.inp (generated) 000975125.b3lyp_6-31g(d).log.xz 000975125.td-b3lyp_6-31g+(d).inp 000975125.td-b3lyp_6-31g+(d).log.xz

000975125.td-b3lyp_6-31+g(d).qchem.inp (generated)

000975125.td-b3lyp_6-31+g(d).gjf (generated)

000975125.td-b3lyp_6-31+g(d).firefly.inp (generated)

000975125.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000975125.mol 000975125.PUBCHEM 000975125.mol (via Jmol)
000975144.b3lyp_6-31g(d).inp

000975144.b3lyp_6-31g(d).qchem.inp (generated)

000975144.b3lyp_6-31g(d).gjf (generated)

000975144.b3lyp_6-31g(d).firefly.inp (generated)

000975144.b3lyp_6-31g(d).smash.inp (generated)

000975144.b3lyp_6-31g(d).nwchem.inp (generated) 000975144.b3lyp_6-31g(d).log.xz 000975144.td-b3lyp_6-31g+(d).inp 000975144.td-b3lyp_6-31g+(d).log.xz

000975144.td-b3lyp_6-31+g(d).qchem.inp (generated)

000975144.td-b3lyp_6-31+g(d).gjf (generated)

000975144.td-b3lyp_6-31+g(d).firefly.inp (generated)

000975144.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000975144.mol 000975144.PUBCHEM 000975144.mol (via Jmol)
000975168.b3lyp_6-31g(d).inp

000975168.b3lyp_6-31g(d).qchem.inp (generated)

000975168.b3lyp_6-31g(d).gjf (generated)

000975168.b3lyp_6-31g(d).firefly.inp (generated)

000975168.b3lyp_6-31g(d).smash.inp (generated)

000975168.b3lyp_6-31g(d).nwchem.inp (generated) 000975168.b3lyp_6-31g(d).log.xz 000975168.td-b3lyp_6-31g+(d).inp 000975168.td-b3lyp_6-31g+(d).log.xz

000975168.td-b3lyp_6-31+g(d).qchem.inp (generated)

000975168.td-b3lyp_6-31+g(d).gjf (generated)

000975168.td-b3lyp_6-31+g(d).firefly.inp (generated)

000975168.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000975168.mol 000975168.PUBCHEM 000975168.mol (via Jmol)
000975184.b3lyp_6-31g(d).inp

000975184.b3lyp_6-31g(d).qchem.inp (generated)

000975184.b3lyp_6-31g(d).gjf (generated)

000975184.b3lyp_6-31g(d).firefly.inp (generated)

000975184.b3lyp_6-31g(d).smash.inp (generated)

000975184.b3lyp_6-31g(d).nwchem.inp (generated) 000975184.b3lyp_6-31g(d).log.xz 000975184.td-b3lyp_6-31g+(d).inp 000975184.td-b3lyp_6-31g+(d).log.xz

000975184.td-b3lyp_6-31+g(d).qchem.inp (generated)

000975184.td-b3lyp_6-31+g(d).gjf (generated)

000975184.td-b3lyp_6-31+g(d).firefly.inp (generated)

000975184.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000975184.mol 000975184.PUBCHEM 000975184.mol (via Jmol)
000975188.b3lyp_6-31g(d).inp

000975188.b3lyp_6-31g(d).qchem.inp (generated)

000975188.b3lyp_6-31g(d).gjf (generated)

000975188.b3lyp_6-31g(d).firefly.inp (generated)

000975188.b3lyp_6-31g(d).smash.inp (generated)

000975188.b3lyp_6-31g(d).nwchem.inp (generated) 000975188.b3lyp_6-31g(d).log.xz 000975188.td-b3lyp_6-31g+(d).inp 000975188.td-b3lyp_6-31g+(d).log.xz

000975188.td-b3lyp_6-31+g(d).qchem.inp (generated)

000975188.td-b3lyp_6-31+g(d).gjf (generated)

000975188.td-b3lyp_6-31+g(d).firefly.inp (generated)

000975188.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000975188.mol 000975188.PUBCHEM 000975188.mol (via Jmol)
000975190.b3lyp_6-31g(d).inp

000975190.b3lyp_6-31g(d).qchem.inp (generated)

000975190.b3lyp_6-31g(d).gjf (generated)

000975190.b3lyp_6-31g(d).firefly.inp (generated)

000975190.b3lyp_6-31g(d).smash.inp (generated)

000975190.b3lyp_6-31g(d).nwchem.inp (generated) 000975190.b3lyp_6-31g(d).log.xz 000975190.mol 000975190.PUBCHEM 000975190.mol (via Jmol)
000975203.b3lyp_6-31g(d).inp

000975203.b3lyp_6-31g(d).qchem.inp (generated)

000975203.b3lyp_6-31g(d).gjf (generated)

000975203.b3lyp_6-31g(d).firefly.inp (generated)

000975203.b3lyp_6-31g(d).smash.inp (generated)

000975203.b3lyp_6-31g(d).nwchem.inp (generated) 000975203.b3lyp_6-31g(d).log.xz 000975203.td-b3lyp_6-31g+(d).inp 000975203.td-b3lyp_6-31g+(d).log.xz

000975203.td-b3lyp_6-31+g(d).qchem.inp (generated)

000975203.td-b3lyp_6-31+g(d).gjf (generated)

000975203.td-b3lyp_6-31+g(d).firefly.inp (generated)

000975203.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000975203.mol 000975203.PUBCHEM 000975203.mol (via Jmol)
000975204.b3lyp_6-31g(d).inp

000975204.b3lyp_6-31g(d).qchem.inp (generated)

000975204.b3lyp_6-31g(d).gjf (generated)

000975204.b3lyp_6-31g(d).firefly.inp (generated)

000975204.b3lyp_6-31g(d).smash.inp (generated)

000975204.b3lyp_6-31g(d).nwchem.inp (generated) 000975204.b3lyp_6-31g(d).log.xz 000975204.td-b3lyp_6-31g+(d).inp 000975204.td-b3lyp_6-31g+(d).log.xz

000975204.td-b3lyp_6-31+g(d).qchem.inp (generated)

000975204.td-b3lyp_6-31+g(d).gjf (generated)

000975204.td-b3lyp_6-31+g(d).firefly.inp (generated)

000975204.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000975204.mol 000975204.PUBCHEM 000975204.mol (via Jmol)
000975215.b3lyp_6-31g(d).inp

000975215.b3lyp_6-31g(d).qchem.inp (generated)

000975215.b3lyp_6-31g(d).gjf (generated)

000975215.b3lyp_6-31g(d).firefly.inp (generated)

000975215.b3lyp_6-31g(d).smash.inp (generated)

000975215.b3lyp_6-31g(d).nwchem.inp (generated) 000975215.b3lyp_6-31g(d).log.xz 000975215.td-b3lyp_6-31g+(d).inp 000975215.td-b3lyp_6-31g+(d).log.xz

000975215.td-b3lyp_6-31+g(d).qchem.inp (generated)

000975215.td-b3lyp_6-31+g(d).gjf (generated)

000975215.td-b3lyp_6-31+g(d).firefly.inp (generated)

000975215.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000975215.mol 000975215.PUBCHEM 000975215.mol (via Jmol)
000975238.b3lyp_6-31g(d).inp

000975238.b3lyp_6-31g(d).qchem.inp (generated)

000975238.b3lyp_6-31g(d).gjf (generated)

000975238.b3lyp_6-31g(d).firefly.inp (generated)

000975238.b3lyp_6-31g(d).smash.inp (generated)

000975238.b3lyp_6-31g(d).nwchem.inp (generated) 000975238.b3lyp_6-31g(d).log.xz 000975238.td-b3lyp_6-31g+(d).inp 000975238.td-b3lyp_6-31g+(d).log.xz

000975238.td-b3lyp_6-31+g(d).qchem.inp (generated)

000975238.td-b3lyp_6-31+g(d).gjf (generated)

000975238.td-b3lyp_6-31+g(d).firefly.inp (generated)

000975238.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000975238.mol 000975238.PUBCHEM 000975238.mol (via Jmol)
000975254.b3lyp_6-31g(d).inp

000975254.b3lyp_6-31g(d).qchem.inp (generated)

000975254.b3lyp_6-31g(d).gjf (generated)

000975254.b3lyp_6-31g(d).firefly.inp (generated)

000975254.b3lyp_6-31g(d).smash.inp (generated)

000975254.b3lyp_6-31g(d).nwchem.inp (generated) 000975254.b3lyp_6-31g(d).log.xz 000975254.td-b3lyp_6-31g+(d).inp 000975254.td-b3lyp_6-31g+(d).log.xz

000975254.td-b3lyp_6-31+g(d).qchem.inp (generated)

000975254.td-b3lyp_6-31+g(d).gjf (generated)

000975254.td-b3lyp_6-31+g(d).firefly.inp (generated)

000975254.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000975254.mol 000975254.PUBCHEM 000975254.mol (via Jmol)
000975264.b3lyp_6-31g(d).inp

000975264.b3lyp_6-31g(d).qchem.inp (generated)

000975264.b3lyp_6-31g(d).gjf (generated)

000975264.b3lyp_6-31g(d).firefly.inp (generated)

000975264.b3lyp_6-31g(d).smash.inp (generated)

000975264.b3lyp_6-31g(d).nwchem.inp (generated) 000975264.b3lyp_6-31g(d).log.xz 000975264.td-b3lyp_6-31g+(d).inp 000975264.td-b3lyp_6-31g+(d).log.xz

000975264.td-b3lyp_6-31+g(d).qchem.inp (generated)

000975264.td-b3lyp_6-31+g(d).gjf (generated)

000975264.td-b3lyp_6-31+g(d).firefly.inp (generated)

000975264.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000975264.mol 000975264.PUBCHEM 000975264.mol (via Jmol)
000975322.b3lyp_6-31g(d).inp

000975322.b3lyp_6-31g(d).qchem.inp (generated)

000975322.b3lyp_6-31g(d).gjf (generated)

000975322.b3lyp_6-31g(d).firefly.inp (generated)

000975322.b3lyp_6-31g(d).smash.inp (generated)

000975322.b3lyp_6-31g(d).nwchem.inp (generated) 000975322.b3lyp_6-31g(d).log.xz 000975322.mol 000975322.PUBCHEM 000975322.mol (via Jmol)
000975334.b3lyp_6-31g(d).inp

000975334.b3lyp_6-31g(d).qchem.inp (generated)

000975334.b3lyp_6-31g(d).gjf (generated)

000975334.b3lyp_6-31g(d).firefly.inp (generated)

000975334.b3lyp_6-31g(d).smash.inp (generated)

000975334.b3lyp_6-31g(d).nwchem.inp (generated) 000975334.b3lyp_6-31g(d).log.xz 000975334.mol 000975334.PUBCHEM 000975334.mol (via Jmol)
000975335.b3lyp_6-31g(d).inp

000975335.b3lyp_6-31g(d).qchem.inp (generated)

000975335.b3lyp_6-31g(d).gjf (generated)

000975335.b3lyp_6-31g(d).firefly.inp (generated)

000975335.b3lyp_6-31g(d).smash.inp (generated)

000975335.b3lyp_6-31g(d).nwchem.inp (generated) 000975335.b3lyp_6-31g(d).log.xz 000975335.mol 000975335.PUBCHEM 000975335.mol (via Jmol)
000975347.b3lyp_6-31g(d).inp

000975347.b3lyp_6-31g(d).qchem.inp (generated)

000975347.b3lyp_6-31g(d).gjf (generated)

000975347.b3lyp_6-31g(d).firefly.inp (generated)

000975347.b3lyp_6-31g(d).smash.inp (generated)

000975347.b3lyp_6-31g(d).nwchem.inp (generated) 000975347.b3lyp_6-31g(d).log.xz 000975347.td-b3lyp_6-31g+(d).inp 000975347.td-b3lyp_6-31g+(d).log.xz

000975347.td-b3lyp_6-31+g(d).qchem.inp (generated)

000975347.td-b3lyp_6-31+g(d).gjf (generated)

000975347.td-b3lyp_6-31+g(d).firefly.inp (generated)

000975347.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000975347.mol 000975347.PUBCHEM 000975347.mol (via Jmol)
000975383.b3lyp_6-31g(d).inp

000975383.b3lyp_6-31g(d).qchem.inp (generated)

000975383.b3lyp_6-31g(d).gjf (generated)

000975383.b3lyp_6-31g(d).firefly.inp (generated)

000975383.b3lyp_6-31g(d).smash.inp (generated)

000975383.b3lyp_6-31g(d).nwchem.inp (generated) 000975383.b3lyp_6-31g(d).log.xz 000975383.td-b3lyp_6-31g+(d).inp 000975383.td-b3lyp_6-31g+(d).log.xz

000975383.td-b3lyp_6-31+g(d).qchem.inp (generated)

000975383.td-b3lyp_6-31+g(d).gjf (generated)

000975383.td-b3lyp_6-31+g(d).firefly.inp (generated)

000975383.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000975383.mol 000975383.PUBCHEM 000975383.mol (via Jmol)
000975398.b3lyp_6-31g(d).inp

000975398.b3lyp_6-31g(d).qchem.inp (generated)

000975398.b3lyp_6-31g(d).gjf (generated)

000975398.b3lyp_6-31g(d).firefly.inp (generated)

000975398.b3lyp_6-31g(d).smash.inp (generated)

000975398.b3lyp_6-31g(d).nwchem.inp (generated) 000975398.b3lyp_6-31g(d).log.xz 000975398.mol 000975398.PUBCHEM 000975398.mol (via Jmol)
000975399.b3lyp_6-31g(d).inp

000975399.b3lyp_6-31g(d).qchem.inp (generated)

000975399.b3lyp_6-31g(d).gjf (generated)

000975399.b3lyp_6-31g(d).firefly.inp (generated)

000975399.b3lyp_6-31g(d).smash.inp (generated)

000975399.b3lyp_6-31g(d).nwchem.inp (generated) 000975399.b3lyp_6-31g(d).log.xz 000975399.mol 000975399.PUBCHEM 000975399.mol (via Jmol)
000975534.b3lyp_6-31g(d).inp

000975534.b3lyp_6-31g(d).qchem.inp (generated)

000975534.b3lyp_6-31g(d).gjf (generated)

000975534.b3lyp_6-31g(d).firefly.inp (generated)

000975534.b3lyp_6-31g(d).smash.inp (generated)

000975534.b3lyp_6-31g(d).nwchem.inp (generated) 000975534.b3lyp_6-31g(d).log.xz 000975534.td-b3lyp_6-31g+(d).inp 000975534.td-b3lyp_6-31g+(d).log.xz

000975534.td-b3lyp_6-31+g(d).qchem.inp (generated)

000975534.td-b3lyp_6-31+g(d).gjf (generated)

000975534.td-b3lyp_6-31+g(d).firefly.inp (generated)

000975534.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000975534.mol 000975534.PUBCHEM 000975534.mol (via Jmol)
000975550.b3lyp_6-31g(d).inp

000975550.b3lyp_6-31g(d).qchem.inp (generated)

000975550.b3lyp_6-31g(d).gjf (generated)

000975550.b3lyp_6-31g(d).firefly.inp (generated)

000975550.b3lyp_6-31g(d).smash.inp (generated)

000975550.b3lyp_6-31g(d).nwchem.inp (generated) 000975550.b3lyp_6-31g(d).log.xz 000975550.mol 000975550.PUBCHEM 000975550.mol (via Jmol)
000975578.b3lyp_6-31g(d).inp

000975578.b3lyp_6-31g(d).qchem.inp (generated)

000975578.b3lyp_6-31g(d).gjf (generated)

000975578.b3lyp_6-31g(d).firefly.inp (generated)

000975578.b3lyp_6-31g(d).smash.inp (generated)

000975578.b3lyp_6-31g(d).nwchem.inp (generated) 000975578.b3lyp_6-31g(d).log.xz 000975578.td-b3lyp_6-31g+(d).inp 000975578.td-b3lyp_6-31g+(d).log.xz

000975578.td-b3lyp_6-31+g(d).qchem.inp (generated)

000975578.td-b3lyp_6-31+g(d).gjf (generated)

000975578.td-b3lyp_6-31+g(d).firefly.inp (generated)

000975578.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000975578.mol 000975578.PUBCHEM 000975578.mol (via Jmol)
000975595.b3lyp_6-31g(d).inp

000975595.b3lyp_6-31g(d).qchem.inp (generated)

000975595.b3lyp_6-31g(d).gjf (generated)

000975595.b3lyp_6-31g(d).firefly.inp (generated)

000975595.b3lyp_6-31g(d).smash.inp (generated)

000975595.b3lyp_6-31g(d).nwchem.inp (generated) 000975595.b3lyp_6-31g(d).log.xz 000975595.mol 000975595.PUBCHEM 000975595.mol (via Jmol)
000975611.b3lyp_6-31g(d).inp

000975611.b3lyp_6-31g(d).qchem.inp (generated)

000975611.b3lyp_6-31g(d).gjf (generated)

000975611.b3lyp_6-31g(d).firefly.inp (generated)

000975611.b3lyp_6-31g(d).smash.inp (generated)

000975611.b3lyp_6-31g(d).nwchem.inp (generated) 000975611.b3lyp_6-31g(d).log.xz 000975611.td-b3lyp_6-31g+(d).inp 000975611.td-b3lyp_6-31g+(d).log.xz

000975611.td-b3lyp_6-31+g(d).qchem.inp (generated)

000975611.td-b3lyp_6-31+g(d).gjf (generated)

000975611.td-b3lyp_6-31+g(d).firefly.inp (generated)

000975611.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000975611.mol 000975611.PUBCHEM 000975611.mol (via Jmol)
000975612.b3lyp_6-31g(d).inp

000975612.b3lyp_6-31g(d).qchem.inp (generated)

000975612.b3lyp_6-31g(d).gjf (generated)

000975612.b3lyp_6-31g(d).firefly.inp (generated)

000975612.b3lyp_6-31g(d).smash.inp (generated)

000975612.b3lyp_6-31g(d).nwchem.inp (generated) 000975612.b3lyp_6-31g(d).log.xz 000975612.td-b3lyp_6-31g+(d).inp 000975612.td-b3lyp_6-31g+(d).log.xz

000975612.td-b3lyp_6-31+g(d).qchem.inp (generated)

000975612.td-b3lyp_6-31+g(d).gjf (generated)

000975612.td-b3lyp_6-31+g(d).firefly.inp (generated)

000975612.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000975612.mol 000975612.PUBCHEM 000975612.mol (via Jmol)
000975620.b3lyp_6-31g(d).inp

000975620.b3lyp_6-31g(d).qchem.inp (generated)

000975620.b3lyp_6-31g(d).gjf (generated)

000975620.b3lyp_6-31g(d).firefly.inp (generated)

000975620.b3lyp_6-31g(d).smash.inp (generated)

000975620.b3lyp_6-31g(d).nwchem.inp (generated) 000975620.b3lyp_6-31g(d).log.xz 000975620.td-b3lyp_6-31g+(d).inp 000975620.td-b3lyp_6-31g+(d).log.xz

000975620.td-b3lyp_6-31+g(d).qchem.inp (generated)

000975620.td-b3lyp_6-31+g(d).gjf (generated)

000975620.td-b3lyp_6-31+g(d).firefly.inp (generated)

000975620.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000975620.mol 000975620.PUBCHEM 000975620.mol (via Jmol)
000975670.b3lyp_6-31g(d).inp

000975670.b3lyp_6-31g(d).qchem.inp (generated)

000975670.b3lyp_6-31g(d).gjf (generated)

000975670.b3lyp_6-31g(d).firefly.inp (generated)

000975670.b3lyp_6-31g(d).smash.inp (generated)

000975670.b3lyp_6-31g(d).nwchem.inp (generated) 000975670.b3lyp_6-31g(d).log.xz 000975670.td-b3lyp_6-31g+(d).inp 000975670.td-b3lyp_6-31g+(d).log.xz

000975670.td-b3lyp_6-31+g(d).qchem.inp (generated)

000975670.td-b3lyp_6-31+g(d).gjf (generated)

000975670.td-b3lyp_6-31+g(d).firefly.inp (generated)

000975670.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000975670.mol 000975670.PUBCHEM 000975670.mol (via Jmol)
000975671.b3lyp_6-31g(d).inp

000975671.b3lyp_6-31g(d).qchem.inp (generated)

000975671.b3lyp_6-31g(d).gjf (generated)

000975671.b3lyp_6-31g(d).firefly.inp (generated)

000975671.b3lyp_6-31g(d).smash.inp (generated)

000975671.b3lyp_6-31g(d).nwchem.inp (generated) 000975671.b3lyp_6-31g(d).log.xz 000975671.td-b3lyp_6-31g+(d).inp 000975671.td-b3lyp_6-31g+(d).log.xz

000975671.td-b3lyp_6-31+g(d).qchem.inp (generated)

000975671.td-b3lyp_6-31+g(d).gjf (generated)

000975671.td-b3lyp_6-31+g(d).firefly.inp (generated)

000975671.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000975671.mol 000975671.PUBCHEM 000975671.mol (via Jmol)
000975679.b3lyp_6-31g(d).inp

000975679.b3lyp_6-31g(d).qchem.inp (generated)

000975679.b3lyp_6-31g(d).gjf (generated)

000975679.b3lyp_6-31g(d).firefly.inp (generated)

000975679.b3lyp_6-31g(d).smash.inp (generated)

000975679.b3lyp_6-31g(d).nwchem.inp (generated) 000975679.b3lyp_6-31g(d).log.xz 000975679.td-b3lyp_6-31g+(d).inp 000975679.td-b3lyp_6-31g+(d).log.xz

000975679.td-b3lyp_6-31+g(d).qchem.inp (generated)

000975679.td-b3lyp_6-31+g(d).gjf (generated)

000975679.td-b3lyp_6-31+g(d).firefly.inp (generated)

000975679.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000975679.mol 000975679.PUBCHEM 000975679.mol (via Jmol)
000975692.b3lyp_6-31g(d).inp

000975692.b3lyp_6-31g(d).qchem.inp (generated)

000975692.b3lyp_6-31g(d).gjf (generated)

000975692.b3lyp_6-31g(d).firefly.inp (generated)

000975692.b3lyp_6-31g(d).smash.inp (generated)

000975692.b3lyp_6-31g(d).nwchem.inp (generated) 000975692.b3lyp_6-31g(d).log.xz 000975692.td-b3lyp_6-31g+(d).inp 000975692.td-b3lyp_6-31g+(d).log.xz

000975692.td-b3lyp_6-31+g(d).qchem.inp (generated)

000975692.td-b3lyp_6-31+g(d).gjf (generated)

000975692.td-b3lyp_6-31+g(d).firefly.inp (generated)

000975692.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000975692.mol 000975692.PUBCHEM 000975692.mol (via Jmol)
000975693.b3lyp_6-31g(d).inp

000975693.b3lyp_6-31g(d).qchem.inp (generated)

000975693.b3lyp_6-31g(d).gjf (generated)

000975693.b3lyp_6-31g(d).firefly.inp (generated)

000975693.b3lyp_6-31g(d).smash.inp (generated)

000975693.b3lyp_6-31g(d).nwchem.inp (generated) 000975693.b3lyp_6-31g(d).log.xz 000975693.td-b3lyp_6-31g+(d).inp 000975693.td-b3lyp_6-31g+(d).log.xz

000975693.td-b3lyp_6-31+g(d).qchem.inp (generated)

000975693.td-b3lyp_6-31+g(d).gjf (generated)

000975693.td-b3lyp_6-31+g(d).firefly.inp (generated)

000975693.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000975693.mol 000975693.PUBCHEM 000975693.mol (via Jmol)
000975713.b3lyp_6-31g(d).inp

000975713.b3lyp_6-31g(d).qchem.inp (generated)

000975713.b3lyp_6-31g(d).gjf (generated)

000975713.b3lyp_6-31g(d).firefly.inp (generated)

000975713.b3lyp_6-31g(d).smash.inp (generated)

000975713.b3lyp_6-31g(d).nwchem.inp (generated) 000975713.b3lyp_6-31g(d).log.xz 000975713.mol 000975713.PUBCHEM 000975713.mol (via Jmol)
000975721.b3lyp_6-31g(d).inp

000975721.b3lyp_6-31g(d).qchem.inp (generated)

000975721.b3lyp_6-31g(d).gjf (generated)

000975721.b3lyp_6-31g(d).firefly.inp (generated)

000975721.b3lyp_6-31g(d).smash.inp (generated)

000975721.b3lyp_6-31g(d).nwchem.inp (generated) 000975721.b3lyp_6-31g(d).log.xz 000975721.td-b3lyp_6-31g+(d).inp 000975721.td-b3lyp_6-31g+(d).log.xz

000975721.td-b3lyp_6-31+g(d).qchem.inp (generated)

000975721.td-b3lyp_6-31+g(d).gjf (generated)

000975721.td-b3lyp_6-31+g(d).firefly.inp (generated)

000975721.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000975721.mol 000975721.PUBCHEM 000975721.mol (via Jmol)
000975760.b3lyp_6-31g(d).inp

000975760.b3lyp_6-31g(d).qchem.inp (generated)

000975760.b3lyp_6-31g(d).gjf (generated)

000975760.b3lyp_6-31g(d).firefly.inp (generated)

000975760.b3lyp_6-31g(d).smash.inp (generated)

000975760.b3lyp_6-31g(d).nwchem.inp (generated) 000975760.b3lyp_6-31g(d).log.xz 000975760.td-b3lyp_6-31g+(d).inp 000975760.td-b3lyp_6-31g+(d).log.xz

000975760.td-b3lyp_6-31+g(d).qchem.inp (generated)

000975760.td-b3lyp_6-31+g(d).gjf (generated)

000975760.td-b3lyp_6-31+g(d).firefly.inp (generated)

000975760.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000975760.mol 000975760.PUBCHEM 000975760.mol (via Jmol)
000975779.b3lyp_6-31g(d).inp

000975779.b3lyp_6-31g(d).qchem.inp (generated)

000975779.b3lyp_6-31g(d).gjf (generated)

000975779.b3lyp_6-31g(d).firefly.inp (generated)

000975779.b3lyp_6-31g(d).smash.inp (generated)

000975779.b3lyp_6-31g(d).nwchem.inp (generated) 000975779.b3lyp_6-31g(d).log.xz 000975779.td-b3lyp_6-31g+(d).inp 000975779.td-b3lyp_6-31g+(d).log.xz

000975779.td-b3lyp_6-31+g(d).qchem.inp (generated)

000975779.td-b3lyp_6-31+g(d).gjf (generated)

000975779.td-b3lyp_6-31+g(d).firefly.inp (generated)

000975779.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000975779.mol 000975779.PUBCHEM 000975779.mol (via Jmol)
000975786.b3lyp_6-31g(d).inp

000975786.b3lyp_6-31g(d).qchem.inp (generated)

000975786.b3lyp_6-31g(d).gjf (generated)

000975786.b3lyp_6-31g(d).firefly.inp (generated)

000975786.b3lyp_6-31g(d).smash.inp (generated)

000975786.b3lyp_6-31g(d).nwchem.inp (generated) 000975786.b3lyp_6-31g(d).log.xz 000975786.td-b3lyp_6-31g+(d).inp 000975786.td-b3lyp_6-31g+(d).log.xz

000975786.td-b3lyp_6-31+g(d).qchem.inp (generated)

000975786.td-b3lyp_6-31+g(d).gjf (generated)

000975786.td-b3lyp_6-31+g(d).firefly.inp (generated)

000975786.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000975786.mol 000975786.PUBCHEM 000975786.mol (via Jmol)
000975809.b3lyp_6-31g(d).inp

000975809.b3lyp_6-31g(d).qchem.inp (generated)

000975809.b3lyp_6-31g(d).gjf (generated)

000975809.b3lyp_6-31g(d).firefly.inp (generated)

000975809.b3lyp_6-31g(d).smash.inp (generated)

000975809.b3lyp_6-31g(d).nwchem.inp (generated) 000975809.b3lyp_6-31g(d).log.xz 000975809.td-b3lyp_6-31g+(d).inp 000975809.td-b3lyp_6-31g+(d).log.xz

000975809.td-b3lyp_6-31+g(d).qchem.inp (generated)

000975809.td-b3lyp_6-31+g(d).gjf (generated)

000975809.td-b3lyp_6-31+g(d).firefly.inp (generated)

000975809.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000975809.mol 000975809.PUBCHEM 000975809.mol (via Jmol)
000975810.b3lyp_6-31g(d).inp

000975810.b3lyp_6-31g(d).qchem.inp (generated)

000975810.b3lyp_6-31g(d).gjf (generated)

000975810.b3lyp_6-31g(d).firefly.inp (generated)

000975810.b3lyp_6-31g(d).smash.inp (generated)

000975810.b3lyp_6-31g(d).nwchem.inp (generated) 000975810.b3lyp_6-31g(d).log.xz 000975810.td-b3lyp_6-31g+(d).inp 000975810.td-b3lyp_6-31g+(d).log.xz

000975810.td-b3lyp_6-31+g(d).qchem.inp (generated)

000975810.td-b3lyp_6-31+g(d).gjf (generated)

000975810.td-b3lyp_6-31+g(d).firefly.inp (generated)

000975810.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000975810.mol 000975810.PUBCHEM 000975810.mol (via Jmol)
000975846.b3lyp_6-31g(d).inp

000975846.b3lyp_6-31g(d).qchem.inp (generated)

000975846.b3lyp_6-31g(d).gjf (generated)

000975846.b3lyp_6-31g(d).firefly.inp (generated)

000975846.b3lyp_6-31g(d).smash.inp (generated)

000975846.b3lyp_6-31g(d).nwchem.inp (generated) 000975846.b3lyp_6-31g(d).log.xz 000975846.td-b3lyp_6-31g+(d).inp 000975846.td-b3lyp_6-31g+(d).log.xz

000975846.td-b3lyp_6-31+g(d).qchem.inp (generated)

000975846.td-b3lyp_6-31+g(d).gjf (generated)

000975846.td-b3lyp_6-31+g(d).firefly.inp (generated)

000975846.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000975846.mol 000975846.PUBCHEM 000975846.mol (via Jmol)
000975854.b3lyp_6-31g(d).inp

000975854.b3lyp_6-31g(d).qchem.inp (generated)

000975854.b3lyp_6-31g(d).gjf (generated)

000975854.b3lyp_6-31g(d).firefly.inp (generated)

000975854.b3lyp_6-31g(d).smash.inp (generated)

000975854.b3lyp_6-31g(d).nwchem.inp (generated) 000975854.b3lyp_6-31g(d).log.xz 000975854.td-b3lyp_6-31g+(d).inp 000975854.td-b3lyp_6-31g+(d).log.xz

000975854.td-b3lyp_6-31+g(d).qchem.inp (generated)

000975854.td-b3lyp_6-31+g(d).gjf (generated)

000975854.td-b3lyp_6-31+g(d).firefly.inp (generated)

000975854.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000975854.mol 000975854.PUBCHEM 000975854.mol (via Jmol)
000975855.b3lyp_6-31g(d).inp

000975855.b3lyp_6-31g(d).qchem.inp (generated)

000975855.b3lyp_6-31g(d).gjf (generated)

000975855.b3lyp_6-31g(d).firefly.inp (generated)

000975855.b3lyp_6-31g(d).smash.inp (generated)

000975855.b3lyp_6-31g(d).nwchem.inp (generated) 000975855.b3lyp_6-31g(d).log.xz 000975855.td-b3lyp_6-31g+(d).inp 000975855.td-b3lyp_6-31g+(d).log.xz

000975855.td-b3lyp_6-31+g(d).qchem.inp (generated)

000975855.td-b3lyp_6-31+g(d).gjf (generated)

000975855.td-b3lyp_6-31+g(d).firefly.inp (generated)

000975855.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000975855.mol 000975855.PUBCHEM 000975855.mol (via Jmol)
000975885.b3lyp_6-31g(d).inp

000975885.b3lyp_6-31g(d).qchem.inp (generated)

000975885.b3lyp_6-31g(d).gjf (generated)

000975885.b3lyp_6-31g(d).firefly.inp (generated)

000975885.b3lyp_6-31g(d).smash.inp (generated)

000975885.b3lyp_6-31g(d).nwchem.inp (generated) 000975885.b3lyp_6-31g(d).log.xz 000975885.td-b3lyp_6-31g+(d).inp 000975885.td-b3lyp_6-31g+(d).log.xz

000975885.td-b3lyp_6-31+g(d).qchem.inp (generated)

000975885.td-b3lyp_6-31+g(d).gjf (generated)

000975885.td-b3lyp_6-31+g(d).firefly.inp (generated)

000975885.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000975885.mol 000975885.PUBCHEM 000975885.mol (via Jmol)
000975917.b3lyp_6-31g(d).inp

000975917.b3lyp_6-31g(d).qchem.inp (generated)

000975917.b3lyp_6-31g(d).gjf (generated)

000975917.b3lyp_6-31g(d).firefly.inp (generated)

000975917.b3lyp_6-31g(d).smash.inp (generated)

000975917.b3lyp_6-31g(d).nwchem.inp (generated) 000975917.b3lyp_6-31g(d).log.xz 000975917.td-b3lyp_6-31g+(d).inp 000975917.td-b3lyp_6-31g+(d).log.xz

000975917.td-b3lyp_6-31+g(d).qchem.inp (generated)

000975917.td-b3lyp_6-31+g(d).gjf (generated)

000975917.td-b3lyp_6-31+g(d).firefly.inp (generated)

000975917.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000975917.mol 000975917.PUBCHEM 000975917.mol (via Jmol)
000975918.b3lyp_6-31g(d).inp

000975918.b3lyp_6-31g(d).qchem.inp (generated)

000975918.b3lyp_6-31g(d).gjf (generated)

000975918.b3lyp_6-31g(d).firefly.inp (generated)

000975918.b3lyp_6-31g(d).smash.inp (generated)

000975918.b3lyp_6-31g(d).nwchem.inp (generated) 000975918.b3lyp_6-31g(d).log.xz 000975918.td-b3lyp_6-31g+(d).inp 000975918.td-b3lyp_6-31g+(d).log.xz

000975918.td-b3lyp_6-31+g(d).qchem.inp (generated)

000975918.td-b3lyp_6-31+g(d).gjf (generated)

000975918.td-b3lyp_6-31+g(d).firefly.inp (generated)

000975918.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000975918.mol 000975918.PUBCHEM 000975918.mol (via Jmol)
000975931.b3lyp_6-31g(d).inp

000975931.b3lyp_6-31g(d).qchem.inp (generated)

000975931.b3lyp_6-31g(d).gjf (generated)

000975931.b3lyp_6-31g(d).firefly.inp (generated)

000975931.b3lyp_6-31g(d).smash.inp (generated)

000975931.b3lyp_6-31g(d).nwchem.inp (generated) 000975931.b3lyp_6-31g(d).log.xz 000975931.mol 000975931.PUBCHEM 000975931.mol (via Jmol)
000975941.b3lyp_6-31g(d).inp

000975941.b3lyp_6-31g(d).qchem.inp (generated)

000975941.b3lyp_6-31g(d).gjf (generated)

000975941.b3lyp_6-31g(d).firefly.inp (generated)

000975941.b3lyp_6-31g(d).smash.inp (generated)

000975941.b3lyp_6-31g(d).nwchem.inp (generated) 000975941.b3lyp_6-31g(d).log.xz 000975941.td-b3lyp_6-31g+(d).inp 000975941.td-b3lyp_6-31g+(d).log.xz

000975941.td-b3lyp_6-31+g(d).qchem.inp (generated)

000975941.td-b3lyp_6-31+g(d).gjf (generated)

000975941.td-b3lyp_6-31+g(d).firefly.inp (generated)

000975941.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000975941.mol 000975941.PUBCHEM 000975941.mol (via Jmol)
000975942.b3lyp_6-31g(d).inp

000975942.b3lyp_6-31g(d).qchem.inp (generated)

000975942.b3lyp_6-31g(d).gjf (generated)

000975942.b3lyp_6-31g(d).firefly.inp (generated)

000975942.b3lyp_6-31g(d).smash.inp (generated)

000975942.b3lyp_6-31g(d).nwchem.inp (generated) 000975942.b3lyp_6-31g(d).log.xz 000975942.td-b3lyp_6-31g+(d).inp 000975942.td-b3lyp_6-31g+(d).log.xz

000975942.td-b3lyp_6-31+g(d).qchem.inp (generated)

000975942.td-b3lyp_6-31+g(d).gjf (generated)

000975942.td-b3lyp_6-31+g(d).firefly.inp (generated)

000975942.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000975942.mol 000975942.PUBCHEM 000975942.mol (via Jmol)
000975944.b3lyp_6-31g(d).inp

000975944.b3lyp_6-31g(d).qchem.inp (generated)

000975944.b3lyp_6-31g(d).gjf (generated)

000975944.b3lyp_6-31g(d).firefly.inp (generated)

000975944.b3lyp_6-31g(d).smash.inp (generated)

000975944.b3lyp_6-31g(d).nwchem.inp (generated) 000975944.b3lyp_6-31g(d).log.xz 000975944.mol 000975944.PUBCHEM 000975944.mol (via Jmol)
000975945.b3lyp_6-31g(d).inp

000975945.b3lyp_6-31g(d).qchem.inp (generated)

000975945.b3lyp_6-31g(d).gjf (generated)

000975945.b3lyp_6-31g(d).firefly.inp (generated)

000975945.b3lyp_6-31g(d).smash.inp (generated)

000975945.b3lyp_6-31g(d).nwchem.inp (generated) 000975945.b3lyp_6-31g(d).log.xz 000975945.mol 000975945.PUBCHEM 000975945.mol (via Jmol)
000975950.b3lyp_6-31g(d).inp

000975950.b3lyp_6-31g(d).qchem.inp (generated)

000975950.b3lyp_6-31g(d).gjf (generated)

000975950.b3lyp_6-31g(d).firefly.inp (generated)

000975950.b3lyp_6-31g(d).smash.inp (generated)

000975950.b3lyp_6-31g(d).nwchem.inp (generated) 000975950.b3lyp_6-31g(d).log.xz 000975950.td-b3lyp_6-31g+(d).inp 000975950.td-b3lyp_6-31g+(d).log.xz

000975950.td-b3lyp_6-31+g(d).qchem.inp (generated)

000975950.td-b3lyp_6-31+g(d).gjf (generated)

000975950.td-b3lyp_6-31+g(d).firefly.inp (generated)

000975950.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000975950.mol 000975950.PUBCHEM 000975950.mol (via Jmol)
000975958.b3lyp_6-31g(d).inp

000975958.b3lyp_6-31g(d).qchem.inp (generated)

000975958.b3lyp_6-31g(d).gjf (generated)

000975958.b3lyp_6-31g(d).firefly.inp (generated)

000975958.b3lyp_6-31g(d).smash.inp (generated)

000975958.b3lyp_6-31g(d).nwchem.inp (generated) 000975958.b3lyp_6-31g(d).log.xz 000975958.td-b3lyp_6-31g+(d).inp 000975958.td-b3lyp_6-31g+(d).log.xz

000975958.td-b3lyp_6-31+g(d).qchem.inp (generated)

000975958.td-b3lyp_6-31+g(d).gjf (generated)

000975958.td-b3lyp_6-31+g(d).firefly.inp (generated)

000975958.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000975958.mol 000975958.PUBCHEM 000975958.mol (via Jmol)
000975959.b3lyp_6-31g(d).inp

000975959.b3lyp_6-31g(d).qchem.inp (generated)

000975959.b3lyp_6-31g(d).gjf (generated)

000975959.b3lyp_6-31g(d).firefly.inp (generated)

000975959.b3lyp_6-31g(d).smash.inp (generated)

000975959.b3lyp_6-31g(d).nwchem.inp (generated) 000975959.b3lyp_6-31g(d).log.xz 000975959.mol 000975959.PUBCHEM 000975959.mol (via Jmol)
000975978.b3lyp_6-31g(d).inp

000975978.b3lyp_6-31g(d).qchem.inp (generated)

000975978.b3lyp_6-31g(d).gjf (generated)

000975978.b3lyp_6-31g(d).firefly.inp (generated)

000975978.b3lyp_6-31g(d).smash.inp (generated)

000975978.b3lyp_6-31g(d).nwchem.inp (generated) 000975978.b3lyp_6-31g(d).log.xz 000975978.td-b3lyp_6-31g+(d).inp 000975978.td-b3lyp_6-31g+(d).log.xz

000975978.td-b3lyp_6-31+g(d).qchem.inp (generated)

000975978.td-b3lyp_6-31+g(d).gjf (generated)

000975978.td-b3lyp_6-31+g(d).firefly.inp (generated)

000975978.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000975978.mol 000975978.PUBCHEM 000975978.mol (via Jmol)
000976001.b3lyp_6-31g(d).inp

000976001.b3lyp_6-31g(d).qchem.inp (generated)

000976001.b3lyp_6-31g(d).gjf (generated)

000976001.b3lyp_6-31g(d).firefly.inp (generated)

000976001.b3lyp_6-31g(d).smash.inp (generated)

000976001.b3lyp_6-31g(d).nwchem.inp (generated) 000976001.b3lyp_6-31g(d).log.xz 000976001.td-b3lyp_6-31g+(d).inp 000976001.td-b3lyp_6-31g+(d).log.xz

000976001.td-b3lyp_6-31+g(d).qchem.inp (generated)

000976001.td-b3lyp_6-31+g(d).gjf (generated)

000976001.td-b3lyp_6-31+g(d).firefly.inp (generated)

000976001.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000976001.mol 000976001.PUBCHEM 000976001.mol (via Jmol)
000976036.b3lyp_6-31g(d).inp

000976036.b3lyp_6-31g(d).qchem.inp (generated)

000976036.b3lyp_6-31g(d).gjf (generated)

000976036.b3lyp_6-31g(d).firefly.inp (generated)

000976036.b3lyp_6-31g(d).smash.inp (generated)

000976036.b3lyp_6-31g(d).nwchem.inp (generated) 000976036.b3lyp_6-31g(d).log.xz 000976036.mol 000976036.PUBCHEM 000976036.mol (via Jmol)
000976063.b3lyp_6-31g(d).inp

000976063.b3lyp_6-31g(d).qchem.inp (generated)

000976063.b3lyp_6-31g(d).gjf (generated)

000976063.b3lyp_6-31g(d).firefly.inp (generated)

000976063.b3lyp_6-31g(d).smash.inp (generated)

000976063.b3lyp_6-31g(d).nwchem.inp (generated) 000976063.b3lyp_6-31g(d).log.xz 000976063.mol 000976063.PUBCHEM 000976063.mol (via Jmol)
000976069.b3lyp_6-31g(d).inp

000976069.b3lyp_6-31g(d).qchem.inp (generated)

000976069.b3lyp_6-31g(d).gjf (generated)

000976069.b3lyp_6-31g(d).firefly.inp (generated)

000976069.b3lyp_6-31g(d).smash.inp (generated)

000976069.b3lyp_6-31g(d).nwchem.inp (generated) 000976069.b3lyp_6-31g(d).log.xz 000976069.mol 000976069.PUBCHEM 000976069.mol (via Jmol)
000976070.b3lyp_6-31g(d).inp

000976070.b3lyp_6-31g(d).qchem.inp (generated)

000976070.b3lyp_6-31g(d).gjf (generated)

000976070.b3lyp_6-31g(d).firefly.inp (generated)

000976070.b3lyp_6-31g(d).smash.inp (generated)

000976070.b3lyp_6-31g(d).nwchem.inp (generated) 000976070.b3lyp_6-31g(d).log.xz 000976070.mol 000976070.PUBCHEM 000976070.mol (via Jmol)
000976170.b3lyp_6-31g(d).inp

000976170.b3lyp_6-31g(d).qchem.inp (generated)

000976170.b3lyp_6-31g(d).gjf (generated)

000976170.b3lyp_6-31g(d).firefly.inp (generated)

000976170.b3lyp_6-31g(d).smash.inp (generated)

000976170.b3lyp_6-31g(d).nwchem.inp (generated) 000976170.b3lyp_6-31g(d).log.xz 000976170.td-b3lyp_6-31g+(d).inp 000976170.td-b3lyp_6-31g+(d).log.xz

000976170.td-b3lyp_6-31+g(d).qchem.inp (generated)

000976170.td-b3lyp_6-31+g(d).gjf (generated)

000976170.td-b3lyp_6-31+g(d).firefly.inp (generated)

000976170.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000976170.mol 000976170.PUBCHEM 000976170.mol (via Jmol)
000976192.b3lyp_6-31g(d).inp

000976192.b3lyp_6-31g(d).qchem.inp (generated)

000976192.b3lyp_6-31g(d).gjf (generated)

000976192.b3lyp_6-31g(d).firefly.inp (generated)

000976192.b3lyp_6-31g(d).smash.inp (generated)

000976192.b3lyp_6-31g(d).nwchem.inp (generated) 000976192.b3lyp_6-31g(d).log.xz 000976192.td-b3lyp_6-31g+(d).inp 000976192.td-b3lyp_6-31g+(d).log.xz

000976192.td-b3lyp_6-31+g(d).qchem.inp (generated)

000976192.td-b3lyp_6-31+g(d).gjf (generated)

000976192.td-b3lyp_6-31+g(d).firefly.inp (generated)

000976192.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000976192.mol 000976192.PUBCHEM 000976192.mol (via Jmol)
000976195.b3lyp_6-31g(d).inp

000976195.b3lyp_6-31g(d).qchem.inp (generated)

000976195.b3lyp_6-31g(d).gjf (generated)

000976195.b3lyp_6-31g(d).firefly.inp (generated)

000976195.b3lyp_6-31g(d).smash.inp (generated)

000976195.b3lyp_6-31g(d).nwchem.inp (generated) 000976195.b3lyp_6-31g(d).log.xz 000976195.td-b3lyp_6-31g+(d).inp 000976195.td-b3lyp_6-31g+(d).log.xz

000976195.td-b3lyp_6-31+g(d).qchem.inp (generated)

000976195.td-b3lyp_6-31+g(d).gjf (generated)

000976195.td-b3lyp_6-31+g(d).firefly.inp (generated)

000976195.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000976195.mol 000976195.PUBCHEM 000976195.mol (via Jmol)
000976212.b3lyp_6-31g(d).inp

000976212.b3lyp_6-31g(d).qchem.inp (generated)

000976212.b3lyp_6-31g(d).gjf (generated)

000976212.b3lyp_6-31g(d).firefly.inp (generated)

000976212.b3lyp_6-31g(d).smash.inp (generated)

000976212.b3lyp_6-31g(d).nwchem.inp (generated) 000976212.b3lyp_6-31g(d).log.xz 000976212.mol 000976212.PUBCHEM 000976212.mol (via Jmol)
000976213.b3lyp_6-31g(d).inp

000976213.b3lyp_6-31g(d).qchem.inp (generated)

000976213.b3lyp_6-31g(d).gjf (generated)

000976213.b3lyp_6-31g(d).firefly.inp (generated)

000976213.b3lyp_6-31g(d).smash.inp (generated)

000976213.b3lyp_6-31g(d).nwchem.inp (generated) 000976213.b3lyp_6-31g(d).log.xz 000976213.td-b3lyp_6-31g+(d).inp 000976213.td-b3lyp_6-31g+(d).log.xz

000976213.td-b3lyp_6-31+g(d).qchem.inp (generated)

000976213.td-b3lyp_6-31+g(d).gjf (generated)

000976213.td-b3lyp_6-31+g(d).firefly.inp (generated)

000976213.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000976213.mol 000976213.PUBCHEM 000976213.mol (via Jmol)
000976222.b3lyp_6-31g(d).inp

000976222.b3lyp_6-31g(d).qchem.inp (generated)

000976222.b3lyp_6-31g(d).gjf (generated)

000976222.b3lyp_6-31g(d).firefly.inp (generated)

000976222.b3lyp_6-31g(d).smash.inp (generated)

000976222.b3lyp_6-31g(d).nwchem.inp (generated) 000976222.b3lyp_6-31g(d).log.xz 000976222.td-b3lyp_6-31g+(d).inp 000976222.td-b3lyp_6-31g+(d).log.xz

000976222.td-b3lyp_6-31+g(d).qchem.inp (generated)

000976222.td-b3lyp_6-31+g(d).gjf (generated)

000976222.td-b3lyp_6-31+g(d).firefly.inp (generated)

000976222.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000976222.mol 000976222.PUBCHEM 000976222.mol (via Jmol)
000976336.b3lyp_6-31g(d).inp

000976336.b3lyp_6-31g(d).qchem.inp (generated)

000976336.b3lyp_6-31g(d).gjf (generated)

000976336.b3lyp_6-31g(d).firefly.inp (generated)

000976336.b3lyp_6-31g(d).smash.inp (generated)

000976336.b3lyp_6-31g(d).nwchem.inp (generated) 000976336.b3lyp_6-31g(d).log.xz 000976336.td-b3lyp_6-31g+(d).inp 000976336.td-b3lyp_6-31g+(d).log.xz

000976336.td-b3lyp_6-31+g(d).qchem.inp (generated)

000976336.td-b3lyp_6-31+g(d).gjf (generated)

000976336.td-b3lyp_6-31+g(d).firefly.inp (generated)

000976336.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000976336.mol 000976336.PUBCHEM 000976336.mol (via Jmol)
000976338.b3lyp_6-31g(d).inp

000976338.b3lyp_6-31g(d).qchem.inp (generated)

000976338.b3lyp_6-31g(d).gjf (generated)

000976338.b3lyp_6-31g(d).firefly.inp (generated)

000976338.b3lyp_6-31g(d).smash.inp (generated)

000976338.b3lyp_6-31g(d).nwchem.inp (generated) 000976338.b3lyp_6-31g(d).log.xz 000976338.td-b3lyp_6-31g+(d).inp 000976338.td-b3lyp_6-31g+(d).log.xz

000976338.td-b3lyp_6-31+g(d).qchem.inp (generated)

000976338.td-b3lyp_6-31+g(d).gjf (generated)

000976338.td-b3lyp_6-31+g(d).firefly.inp (generated)

000976338.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000976338.mol 000976338.PUBCHEM 000976338.mol (via Jmol)
000976354.b3lyp_6-31g(d).inp

000976354.b3lyp_6-31g(d).qchem.inp (generated)

000976354.b3lyp_6-31g(d).gjf (generated)

000976354.b3lyp_6-31g(d).firefly.inp (generated)

000976354.b3lyp_6-31g(d).smash.inp (generated)

000976354.b3lyp_6-31g(d).nwchem.inp (generated) 000976354.b3lyp_6-31g(d).log.xz 000976354.td-b3lyp_6-31g+(d).inp 000976354.td-b3lyp_6-31g+(d).log.xz

000976354.td-b3lyp_6-31+g(d).qchem.inp (generated)

000976354.td-b3lyp_6-31+g(d).gjf (generated)

000976354.td-b3lyp_6-31+g(d).firefly.inp (generated)

000976354.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000976354.mol 000976354.PUBCHEM 000976354.mol (via Jmol)
000976426.b3lyp_6-31g(d).inp

000976426.b3lyp_6-31g(d).qchem.inp (generated)

000976426.b3lyp_6-31g(d).gjf (generated)

000976426.b3lyp_6-31g(d).firefly.inp (generated)

000976426.b3lyp_6-31g(d).smash.inp (generated)

000976426.b3lyp_6-31g(d).nwchem.inp (generated) 000976426.b3lyp_6-31g(d).log.xz 000976426.td-b3lyp_6-31g+(d).inp 000976426.td-b3lyp_6-31g+(d).log.xz

000976426.td-b3lyp_6-31+g(d).qchem.inp (generated)

000976426.td-b3lyp_6-31+g(d).gjf (generated)

000976426.td-b3lyp_6-31+g(d).firefly.inp (generated)

000976426.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000976426.mol 000976426.PUBCHEM 000976426.mol (via Jmol)
000976431.b3lyp_6-31g(d).inp

000976431.b3lyp_6-31g(d).qchem.inp (generated)

000976431.b3lyp_6-31g(d).gjf (generated)

000976431.b3lyp_6-31g(d).firefly.inp (generated)

000976431.b3lyp_6-31g(d).smash.inp (generated)

000976431.b3lyp_6-31g(d).nwchem.inp (generated) 000976431.b3lyp_6-31g(d).log.xz 000976431.td-b3lyp_6-31g+(d).inp 000976431.td-b3lyp_6-31g+(d).log.xz

000976431.td-b3lyp_6-31+g(d).qchem.inp (generated)

000976431.td-b3lyp_6-31+g(d).gjf (generated)

000976431.td-b3lyp_6-31+g(d).firefly.inp (generated)

000976431.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000976431.mol 000976431.PUBCHEM 000976431.mol (via Jmol)
000976466.b3lyp_6-31g(d).inp

000976466.b3lyp_6-31g(d).qchem.inp (generated)

000976466.b3lyp_6-31g(d).gjf (generated)

000976466.b3lyp_6-31g(d).firefly.inp (generated)

000976466.b3lyp_6-31g(d).smash.inp (generated)

000976466.b3lyp_6-31g(d).nwchem.inp (generated) 000976466.b3lyp_6-31g(d).log.xz 000976466.td-b3lyp_6-31g+(d).inp 000976466.td-b3lyp_6-31g+(d).log.xz

000976466.td-b3lyp_6-31+g(d).qchem.inp (generated)

000976466.td-b3lyp_6-31+g(d).gjf (generated)

000976466.td-b3lyp_6-31+g(d).firefly.inp (generated)

000976466.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000976466.mol 000976466.PUBCHEM 000976466.mol (via Jmol)
000976489.b3lyp_6-31g(d).inp

000976489.b3lyp_6-31g(d).qchem.inp (generated)

000976489.b3lyp_6-31g(d).gjf (generated)

000976489.b3lyp_6-31g(d).firefly.inp (generated)

000976489.b3lyp_6-31g(d).smash.inp (generated)

000976489.b3lyp_6-31g(d).nwchem.inp (generated) 000976489.b3lyp_6-31g(d).log.xz 000976489.td-b3lyp_6-31g+(d).inp 000976489.td-b3lyp_6-31g+(d).log.xz

000976489.td-b3lyp_6-31+g(d).qchem.inp (generated)

000976489.td-b3lyp_6-31+g(d).gjf (generated)

000976489.td-b3lyp_6-31+g(d).firefly.inp (generated)

000976489.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000976489.mol 000976489.PUBCHEM 000976489.mol (via Jmol)
000976526.b3lyp_6-31g(d).inp

000976526.b3lyp_6-31g(d).qchem.inp (generated)

000976526.b3lyp_6-31g(d).gjf (generated)

000976526.b3lyp_6-31g(d).firefly.inp (generated)

000976526.b3lyp_6-31g(d).smash.inp (generated)

000976526.b3lyp_6-31g(d).nwchem.inp (generated) 000976526.b3lyp_6-31g(d).log.xz 000976526.td-b3lyp_6-31g+(d).inp 000976526.td-b3lyp_6-31g+(d).log.xz

000976526.td-b3lyp_6-31+g(d).qchem.inp (generated)

000976526.td-b3lyp_6-31+g(d).gjf (generated)

000976526.td-b3lyp_6-31+g(d).firefly.inp (generated)

000976526.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000976526.mol 000976526.PUBCHEM 000976526.mol (via Jmol)
000976539.b3lyp_6-31g(d).inp

000976539.b3lyp_6-31g(d).qchem.inp (generated)

000976539.b3lyp_6-31g(d).gjf (generated)

000976539.b3lyp_6-31g(d).firefly.inp (generated)

000976539.b3lyp_6-31g(d).smash.inp (generated)

000976539.b3lyp_6-31g(d).nwchem.inp (generated) 000976539.b3lyp_6-31g(d).log.xz 000976539.td-b3lyp_6-31g+(d).inp 000976539.td-b3lyp_6-31g+(d).log.xz

000976539.td-b3lyp_6-31+g(d).qchem.inp (generated)

000976539.td-b3lyp_6-31+g(d).gjf (generated)

000976539.td-b3lyp_6-31+g(d).firefly.inp (generated)

000976539.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000976539.mol 000976539.PUBCHEM 000976539.mol (via Jmol)
000976569.b3lyp_6-31g(d).inp

000976569.b3lyp_6-31g(d).qchem.inp (generated)

000976569.b3lyp_6-31g(d).gjf (generated)

000976569.b3lyp_6-31g(d).firefly.inp (generated)

000976569.b3lyp_6-31g(d).smash.inp (generated)

000976569.b3lyp_6-31g(d).nwchem.inp (generated) 000976569.b3lyp_6-31g(d).log.xz 000976569.mol 000976569.PUBCHEM 000976569.mol (via Jmol)
000976593.b3lyp_6-31g(d).inp

000976593.b3lyp_6-31g(d).qchem.inp (generated)

000976593.b3lyp_6-31g(d).gjf (generated)

000976593.b3lyp_6-31g(d).firefly.inp (generated)

000976593.b3lyp_6-31g(d).smash.inp (generated)

000976593.b3lyp_6-31g(d).nwchem.inp (generated) 000976593.b3lyp_6-31g(d).log.xz 000976593.td-b3lyp_6-31g+(d).inp 000976593.td-b3lyp_6-31g+(d).log.xz

000976593.td-b3lyp_6-31+g(d).qchem.inp (generated)

000976593.td-b3lyp_6-31+g(d).gjf (generated)

000976593.td-b3lyp_6-31+g(d).firefly.inp (generated)

000976593.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000976593.mol 000976593.PUBCHEM 000976593.mol (via Jmol)
000976694.b3lyp_6-31g(d).inp

000976694.b3lyp_6-31g(d).qchem.inp (generated)

000976694.b3lyp_6-31g(d).gjf (generated)

000976694.b3lyp_6-31g(d).firefly.inp (generated)

000976694.b3lyp_6-31g(d).smash.inp (generated)

000976694.b3lyp_6-31g(d).nwchem.inp (generated) 000976694.b3lyp_6-31g(d).log.xz 000976694.mol 000976694.PUBCHEM 000976694.mol (via Jmol)
000976695.b3lyp_6-31g(d).inp

000976695.b3lyp_6-31g(d).qchem.inp (generated)

000976695.b3lyp_6-31g(d).gjf (generated)

000976695.b3lyp_6-31g(d).firefly.inp (generated)

000976695.b3lyp_6-31g(d).smash.inp (generated)

000976695.b3lyp_6-31g(d).nwchem.inp (generated) 000976695.b3lyp_6-31g(d).log.xz 000976695.mol 000976695.PUBCHEM 000976695.mol (via Jmol)
000976763.b3lyp_6-31g(d).inp

000976763.b3lyp_6-31g(d).qchem.inp (generated)

000976763.b3lyp_6-31g(d).gjf (generated)

000976763.b3lyp_6-31g(d).firefly.inp (generated)

000976763.b3lyp_6-31g(d).smash.inp (generated)

000976763.b3lyp_6-31g(d).nwchem.inp (generated) 000976763.b3lyp_6-31g(d).log.xz 000976763.td-b3lyp_6-31g+(d).inp 000976763.td-b3lyp_6-31g+(d).log.xz

000976763.td-b3lyp_6-31+g(d).qchem.inp (generated)

000976763.td-b3lyp_6-31+g(d).gjf (generated)

000976763.td-b3lyp_6-31+g(d).firefly.inp (generated)

000976763.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000976763.mol 000976763.PUBCHEM 000976763.mol (via Jmol)
000976773.b3lyp_6-31g(d).inp

000976773.b3lyp_6-31g(d).qchem.inp (generated)

000976773.b3lyp_6-31g(d).gjf (generated)

000976773.b3lyp_6-31g(d).firefly.inp (generated)

000976773.b3lyp_6-31g(d).smash.inp (generated)

000976773.b3lyp_6-31g(d).nwchem.inp (generated) 000976773.b3lyp_6-31g(d).log.xz 000976773.td-b3lyp_6-31g+(d).inp 000976773.td-b3lyp_6-31g+(d).log.xz

000976773.td-b3lyp_6-31+g(d).qchem.inp (generated)

000976773.td-b3lyp_6-31+g(d).gjf (generated)

000976773.td-b3lyp_6-31+g(d).firefly.inp (generated)

000976773.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000976773.mol 000976773.PUBCHEM 000976773.mol (via Jmol)
000976780.b3lyp_6-31g(d).inp

000976780.b3lyp_6-31g(d).qchem.inp (generated)

000976780.b3lyp_6-31g(d).gjf (generated)

000976780.b3lyp_6-31g(d).firefly.inp (generated)

000976780.b3lyp_6-31g(d).smash.inp (generated)

000976780.b3lyp_6-31g(d).nwchem.inp (generated) 000976780.b3lyp_6-31g(d).log.xz 000976780.mol 000976780.PUBCHEM 000976780.mol (via Jmol)
000976800.b3lyp_6-31g(d).inp

000976800.b3lyp_6-31g(d).qchem.inp (generated)

000976800.b3lyp_6-31g(d).gjf (generated)

000976800.b3lyp_6-31g(d).firefly.inp (generated)

000976800.b3lyp_6-31g(d).smash.inp (generated)

000976800.b3lyp_6-31g(d).nwchem.inp (generated) 000976800.b3lyp_6-31g(d).log.xz 000976800.mol 000976800.PUBCHEM 000976800.mol (via Jmol)
000976801.b3lyp_6-31g(d).inp

000976801.b3lyp_6-31g(d).qchem.inp (generated)

000976801.b3lyp_6-31g(d).gjf (generated)

000976801.b3lyp_6-31g(d).firefly.inp (generated)

000976801.b3lyp_6-31g(d).smash.inp (generated)

000976801.b3lyp_6-31g(d).nwchem.inp (generated) 000976801.b3lyp_6-31g(d).log.xz 000976801.td-b3lyp_6-31g+(d).inp 000976801.td-b3lyp_6-31g+(d).log.xz

000976801.td-b3lyp_6-31+g(d).qchem.inp (generated)

000976801.td-b3lyp_6-31+g(d).gjf (generated)

000976801.td-b3lyp_6-31+g(d).firefly.inp (generated)

000976801.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000976801.mol 000976801.PUBCHEM 000976801.mol (via Jmol)
000976840.b3lyp_6-31g(d).inp

000976840.b3lyp_6-31g(d).qchem.inp (generated)

000976840.b3lyp_6-31g(d).gjf (generated)

000976840.b3lyp_6-31g(d).firefly.inp (generated)

000976840.b3lyp_6-31g(d).smash.inp (generated)

000976840.b3lyp_6-31g(d).nwchem.inp (generated) 000976840.b3lyp_6-31g(d).log.xz 000976840.td-b3lyp_6-31g+(d).inp 000976840.td-b3lyp_6-31g+(d).log.xz

000976840.td-b3lyp_6-31+g(d).qchem.inp (generated)

000976840.td-b3lyp_6-31+g(d).gjf (generated)

000976840.td-b3lyp_6-31+g(d).firefly.inp (generated)

000976840.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000976840.mol 000976840.PUBCHEM 000976840.mol (via Jmol)
000976844.b3lyp_6-31g(d).inp

000976844.b3lyp_6-31g(d).qchem.inp (generated)

000976844.b3lyp_6-31g(d).gjf (generated)

000976844.b3lyp_6-31g(d).firefly.inp (generated)

000976844.b3lyp_6-31g(d).smash.inp (generated)

000976844.b3lyp_6-31g(d).nwchem.inp (generated) 000976844.b3lyp_6-31g(d).log.xz 000976844.mol 000976844.PUBCHEM 000976844.mol (via Jmol)
000976875.b3lyp_6-31g(d).inp

000976875.b3lyp_6-31g(d).qchem.inp (generated)

000976875.b3lyp_6-31g(d).gjf (generated)

000976875.b3lyp_6-31g(d).firefly.inp (generated)

000976875.b3lyp_6-31g(d).smash.inp (generated)

000976875.b3lyp_6-31g(d).nwchem.inp (generated) 000976875.b3lyp_6-31g(d).log.xz 000976875.td-b3lyp_6-31g+(d).inp 000976875.td-b3lyp_6-31g+(d).log.xz

000976875.td-b3lyp_6-31+g(d).qchem.inp (generated)

000976875.td-b3lyp_6-31+g(d).gjf (generated)

000976875.td-b3lyp_6-31+g(d).firefly.inp (generated)

000976875.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000976875.mol 000976875.PUBCHEM 000976875.mol (via Jmol)
000976897.b3lyp_6-31g(d).inp

000976897.b3lyp_6-31g(d).qchem.inp (generated)

000976897.b3lyp_6-31g(d).gjf (generated)

000976897.b3lyp_6-31g(d).firefly.inp (generated)

000976897.b3lyp_6-31g(d).smash.inp (generated)

000976897.b3lyp_6-31g(d).nwchem.inp (generated) 000976897.b3lyp_6-31g(d).log.xz 000976897.td-b3lyp_6-31g+(d).inp 000976897.td-b3lyp_6-31g+(d).log.xz

000976897.td-b3lyp_6-31+g(d).qchem.inp (generated)

000976897.td-b3lyp_6-31+g(d).gjf (generated)

000976897.td-b3lyp_6-31+g(d).firefly.inp (generated)

000976897.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000976897.mol 000976897.PUBCHEM 000976897.mol (via Jmol)
000976920.b3lyp_6-31g(d).inp

000976920.b3lyp_6-31g(d).qchem.inp (generated)

000976920.b3lyp_6-31g(d).gjf (generated)

000976920.b3lyp_6-31g(d).firefly.inp (generated)

000976920.b3lyp_6-31g(d).smash.inp (generated)

000976920.b3lyp_6-31g(d).nwchem.inp (generated) 000976920.b3lyp_6-31g(d).log.xz 000976920.mol 000976920.PUBCHEM 000976920.mol (via Jmol)
000976927.b3lyp_6-31g(d).inp

000976927.b3lyp_6-31g(d).qchem.inp (generated)

000976927.b3lyp_6-31g(d).gjf (generated)

000976927.b3lyp_6-31g(d).firefly.inp (generated)

000976927.b3lyp_6-31g(d).smash.inp (generated)

000976927.b3lyp_6-31g(d).nwchem.inp (generated) 000976927.b3lyp_6-31g(d).log.xz 000976927.mol 000976927.PUBCHEM 000976927.mol (via Jmol)
000976982.b3lyp_6-31g(d).inp

000976982.b3lyp_6-31g(d).qchem.inp (generated)

000976982.b3lyp_6-31g(d).gjf (generated)

000976982.b3lyp_6-31g(d).firefly.inp (generated)

000976982.b3lyp_6-31g(d).smash.inp (generated)

000976982.b3lyp_6-31g(d).nwchem.inp (generated) 000976982.b3lyp_6-31g(d).log.xz 000976982.td-b3lyp_6-31g+(d).inp 000976982.td-b3lyp_6-31g+(d).log.xz

000976982.td-b3lyp_6-31+g(d).qchem.inp (generated)

000976982.td-b3lyp_6-31+g(d).gjf (generated)

000976982.td-b3lyp_6-31+g(d).firefly.inp (generated)

000976982.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000976982.mol 000976982.PUBCHEM 000976982.mol (via Jmol)
000977044.b3lyp_6-31g(d).inp

000977044.b3lyp_6-31g(d).qchem.inp (generated)

000977044.b3lyp_6-31g(d).gjf (generated)

000977044.b3lyp_6-31g(d).firefly.inp (generated)

000977044.b3lyp_6-31g(d).smash.inp (generated)

000977044.b3lyp_6-31g(d).nwchem.inp (generated) 000977044.b3lyp_6-31g(d).log.xz 000977044.td-b3lyp_6-31g+(d).inp 000977044.td-b3lyp_6-31g+(d).log.xz

000977044.td-b3lyp_6-31+g(d).qchem.inp (generated)

000977044.td-b3lyp_6-31+g(d).gjf (generated)

000977044.td-b3lyp_6-31+g(d).firefly.inp (generated)

000977044.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000977044.mol 000977044.PUBCHEM 000977044.mol (via Jmol)
000977059.b3lyp_6-31g(d).inp

000977059.b3lyp_6-31g(d).qchem.inp (generated)

000977059.b3lyp_6-31g(d).gjf (generated)

000977059.b3lyp_6-31g(d).firefly.inp (generated)

000977059.b3lyp_6-31g(d).smash.inp (generated)

000977059.b3lyp_6-31g(d).nwchem.inp (generated) 000977059.b3lyp_6-31g(d).log.xz 000977059.td-b3lyp_6-31g+(d).inp 000977059.td-b3lyp_6-31g+(d).log.xz

000977059.td-b3lyp_6-31+g(d).qchem.inp (generated)

000977059.td-b3lyp_6-31+g(d).gjf (generated)

000977059.td-b3lyp_6-31+g(d).firefly.inp (generated)

000977059.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000977059.mol 000977059.PUBCHEM 000977059.mol (via Jmol)
000977062.b3lyp_6-31g(d).inp

000977062.b3lyp_6-31g(d).qchem.inp (generated)

000977062.b3lyp_6-31g(d).gjf (generated)

000977062.b3lyp_6-31g(d).firefly.inp (generated)

000977062.b3lyp_6-31g(d).smash.inp (generated)

000977062.b3lyp_6-31g(d).nwchem.inp (generated) 000977062.b3lyp_6-31g(d).log.xz 000977062.td-b3lyp_6-31g+(d).inp 000977062.td-b3lyp_6-31g+(d).log.xz

000977062.td-b3lyp_6-31+g(d).qchem.inp (generated)

000977062.td-b3lyp_6-31+g(d).gjf (generated)

000977062.td-b3lyp_6-31+g(d).firefly.inp (generated)

000977062.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000977062.mol 000977062.PUBCHEM 000977062.mol (via Jmol)
000977090.b3lyp_6-31g(d).inp

000977090.b3lyp_6-31g(d).qchem.inp (generated)

000977090.b3lyp_6-31g(d).gjf (generated)

000977090.b3lyp_6-31g(d).firefly.inp (generated)

000977090.b3lyp_6-31g(d).smash.inp (generated)

000977090.b3lyp_6-31g(d).nwchem.inp (generated) 000977090.b3lyp_6-31g(d).log.xz 000977090.td-b3lyp_6-31g+(d).inp 000977090.td-b3lyp_6-31g+(d).log.xz

000977090.td-b3lyp_6-31+g(d).qchem.inp (generated)

000977090.td-b3lyp_6-31+g(d).gjf (generated)

000977090.td-b3lyp_6-31+g(d).firefly.inp (generated)

000977090.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000977090.mol 000977090.PUBCHEM 000977090.mol (via Jmol)
000977126.b3lyp_6-31g(d).inp

000977126.b3lyp_6-31g(d).qchem.inp (generated)

000977126.b3lyp_6-31g(d).gjf (generated)

000977126.b3lyp_6-31g(d).firefly.inp (generated)

000977126.b3lyp_6-31g(d).smash.inp (generated)

000977126.b3lyp_6-31g(d).nwchem.inp (generated) 000977126.b3lyp_6-31g(d).log.xz 000977126.td-b3lyp_6-31g+(d).inp 000977126.td-b3lyp_6-31g+(d).log.xz

000977126.td-b3lyp_6-31+g(d).qchem.inp (generated)

000977126.td-b3lyp_6-31+g(d).gjf (generated)

000977126.td-b3lyp_6-31+g(d).firefly.inp (generated)

000977126.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000977126.mol 000977126.PUBCHEM 000977126.mol (via Jmol)
000977127.b3lyp_6-31g(d).inp

000977127.b3lyp_6-31g(d).qchem.inp (generated)

000977127.b3lyp_6-31g(d).gjf (generated)

000977127.b3lyp_6-31g(d).firefly.inp (generated)

000977127.b3lyp_6-31g(d).smash.inp (generated)

000977127.b3lyp_6-31g(d).nwchem.inp (generated) 000977127.b3lyp_6-31g(d).log.xz 000977127.td-b3lyp_6-31g+(d).inp 000977127.td-b3lyp_6-31g+(d).log.xz

000977127.td-b3lyp_6-31+g(d).qchem.inp (generated)

000977127.td-b3lyp_6-31+g(d).gjf (generated)

000977127.td-b3lyp_6-31+g(d).firefly.inp (generated)

000977127.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000977127.mol 000977127.PUBCHEM 000977127.mol (via Jmol)
000977132.b3lyp_6-31g(d).inp

000977132.b3lyp_6-31g(d).qchem.inp (generated)

000977132.b3lyp_6-31g(d).gjf (generated)

000977132.b3lyp_6-31g(d).firefly.inp (generated)

000977132.b3lyp_6-31g(d).smash.inp (generated)

000977132.b3lyp_6-31g(d).nwchem.inp (generated) 000977132.b3lyp_6-31g(d).log.xz 000977132.td-b3lyp_6-31g+(d).inp 000977132.td-b3lyp_6-31g+(d).log.xz

000977132.td-b3lyp_6-31+g(d).qchem.inp (generated)

000977132.td-b3lyp_6-31+g(d).gjf (generated)

000977132.td-b3lyp_6-31+g(d).firefly.inp (generated)

000977132.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000977132.mol 000977132.PUBCHEM 000977132.mol (via Jmol)
000977210.b3lyp_6-31g(d).inp

000977210.b3lyp_6-31g(d).qchem.inp (generated)

000977210.b3lyp_6-31g(d).gjf (generated)

000977210.b3lyp_6-31g(d).firefly.inp (generated)

000977210.b3lyp_6-31g(d).smash.inp (generated)

000977210.b3lyp_6-31g(d).nwchem.inp (generated) 000977210.b3lyp_6-31g(d).log.xz 000977210.td-b3lyp_6-31g+(d).inp 000977210.td-b3lyp_6-31g+(d).log.xz

000977210.td-b3lyp_6-31+g(d).qchem.inp (generated)

000977210.td-b3lyp_6-31+g(d).gjf (generated)

000977210.td-b3lyp_6-31+g(d).firefly.inp (generated)

000977210.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000977210.mol 000977210.PUBCHEM 000977210.mol (via Jmol)
000977250.b3lyp_6-31g(d).inp

000977250.b3lyp_6-31g(d).qchem.inp (generated)

000977250.b3lyp_6-31g(d).gjf (generated)

000977250.b3lyp_6-31g(d).firefly.inp (generated)

000977250.b3lyp_6-31g(d).smash.inp (generated)

000977250.b3lyp_6-31g(d).nwchem.inp (generated) 000977250.b3lyp_6-31g(d).log.xz 000977250.mol 000977250.PUBCHEM 000977250.mol (via Jmol)
000977310.b3lyp_6-31g(d).inp

000977310.b3lyp_6-31g(d).qchem.inp (generated)

000977310.b3lyp_6-31g(d).gjf (generated)

000977310.b3lyp_6-31g(d).firefly.inp (generated)

000977310.b3lyp_6-31g(d).smash.inp (generated)

000977310.b3lyp_6-31g(d).nwchem.inp (generated) 000977310.b3lyp_6-31g(d).log.xz 000977310.mol 000977310.PUBCHEM 000977310.mol (via Jmol)
000977338.b3lyp_6-31g(d).inp

000977338.b3lyp_6-31g(d).qchem.inp (generated)

000977338.b3lyp_6-31g(d).gjf (generated)

000977338.b3lyp_6-31g(d).firefly.inp (generated)

000977338.b3lyp_6-31g(d).smash.inp (generated)

000977338.b3lyp_6-31g(d).nwchem.inp (generated) 000977338.b3lyp_6-31g(d).log.xz 000977338.td-b3lyp_6-31g+(d).inp 000977338.td-b3lyp_6-31g+(d).log.xz

000977338.td-b3lyp_6-31+g(d).qchem.inp (generated)

000977338.td-b3lyp_6-31+g(d).gjf (generated)

000977338.td-b3lyp_6-31+g(d).firefly.inp (generated)

000977338.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000977338.mol 000977338.PUBCHEM 000977338.mol (via Jmol)
000977351.b3lyp_6-31g(d).inp

000977351.b3lyp_6-31g(d).qchem.inp (generated)

000977351.b3lyp_6-31g(d).gjf (generated)

000977351.b3lyp_6-31g(d).firefly.inp (generated)

000977351.b3lyp_6-31g(d).smash.inp (generated)

000977351.b3lyp_6-31g(d).nwchem.inp (generated) 000977351.b3lyp_6-31g(d).log.xz 000977351.td-b3lyp_6-31g+(d).inp 000977351.td-b3lyp_6-31g+(d).log.xz

000977351.td-b3lyp_6-31+g(d).qchem.inp (generated)

000977351.td-b3lyp_6-31+g(d).gjf (generated)

000977351.td-b3lyp_6-31+g(d).firefly.inp (generated)

000977351.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000977351.mol 000977351.PUBCHEM 000977351.mol (via Jmol)
000977385.b3lyp_6-31g(d).inp

000977385.b3lyp_6-31g(d).qchem.inp (generated)

000977385.b3lyp_6-31g(d).gjf (generated)

000977385.b3lyp_6-31g(d).firefly.inp (generated)

000977385.b3lyp_6-31g(d).smash.inp (generated)

000977385.b3lyp_6-31g(d).nwchem.inp (generated) 000977385.b3lyp_6-31g(d).log.xz 000977385.td-b3lyp_6-31g+(d).inp 000977385.td-b3lyp_6-31g+(d).log.xz

000977385.td-b3lyp_6-31+g(d).qchem.inp (generated)

000977385.td-b3lyp_6-31+g(d).gjf (generated)

000977385.td-b3lyp_6-31+g(d).firefly.inp (generated)

000977385.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000977385.mol 000977385.PUBCHEM 000977385.mol (via Jmol)
000977399.b3lyp_6-31g(d).inp

000977399.b3lyp_6-31g(d).qchem.inp (generated)

000977399.b3lyp_6-31g(d).gjf (generated)

000977399.b3lyp_6-31g(d).firefly.inp (generated)

000977399.b3lyp_6-31g(d).smash.inp (generated)

000977399.b3lyp_6-31g(d).nwchem.inp (generated) 000977399.b3lyp_6-31g(d).log.xz 000977399.td-b3lyp_6-31g+(d).inp 000977399.td-b3lyp_6-31g+(d).log.xz

000977399.td-b3lyp_6-31+g(d).qchem.inp (generated)

000977399.td-b3lyp_6-31+g(d).gjf (generated)

000977399.td-b3lyp_6-31+g(d).firefly.inp (generated)

000977399.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000977399.mol 000977399.PUBCHEM 000977399.mol (via Jmol)
000977429.b3lyp_6-31g(d).inp

000977429.b3lyp_6-31g(d).qchem.inp (generated)

000977429.b3lyp_6-31g(d).gjf (generated)

000977429.b3lyp_6-31g(d).firefly.inp (generated)

000977429.b3lyp_6-31g(d).smash.inp (generated)

000977429.b3lyp_6-31g(d).nwchem.inp (generated) 000977429.b3lyp_6-31g(d).log.xz 000977429.mol 000977429.PUBCHEM 000977429.mol (via Jmol)
000977450.b3lyp_6-31g(d).inp

000977450.b3lyp_6-31g(d).qchem.inp (generated)

000977450.b3lyp_6-31g(d).gjf (generated)

000977450.b3lyp_6-31g(d).firefly.inp (generated)

000977450.b3lyp_6-31g(d).smash.inp (generated)

000977450.b3lyp_6-31g(d).nwchem.inp (generated) 000977450.b3lyp_6-31g(d).log.xz 000977450.mol 000977450.PUBCHEM 000977450.mol (via Jmol)
000977457.b3lyp_6-31g(d).inp

000977457.b3lyp_6-31g(d).qchem.inp (generated)

000977457.b3lyp_6-31g(d).gjf (generated)

000977457.b3lyp_6-31g(d).firefly.inp (generated)

000977457.b3lyp_6-31g(d).smash.inp (generated)

000977457.b3lyp_6-31g(d).nwchem.inp (generated) 000977457.b3lyp_6-31g(d).log.xz 000977457.mol 000977457.PUBCHEM 000977457.mol (via Jmol)
000977525.b3lyp_6-31g(d).inp

000977525.b3lyp_6-31g(d).qchem.inp (generated)

000977525.b3lyp_6-31g(d).gjf (generated)

000977525.b3lyp_6-31g(d).firefly.inp (generated)

000977525.b3lyp_6-31g(d).smash.inp (generated)

000977525.b3lyp_6-31g(d).nwchem.inp (generated) 000977525.b3lyp_6-31g(d).log.xz 000977525.td-b3lyp_6-31g+(d).inp 000977525.td-b3lyp_6-31g+(d).log.xz

000977525.td-b3lyp_6-31+g(d).qchem.inp (generated)

000977525.td-b3lyp_6-31+g(d).gjf (generated)

000977525.td-b3lyp_6-31+g(d).firefly.inp (generated)

000977525.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000977525.mol 000977525.PUBCHEM 000977525.mol (via Jmol)
000977537.b3lyp_6-31g(d).inp

000977537.b3lyp_6-31g(d).qchem.inp (generated)

000977537.b3lyp_6-31g(d).gjf (generated)

000977537.b3lyp_6-31g(d).firefly.inp (generated)

000977537.b3lyp_6-31g(d).smash.inp (generated)

000977537.b3lyp_6-31g(d).nwchem.inp (generated) 000977537.b3lyp_6-31g(d).log.xz 000977537.td-b3lyp_6-31g+(d).inp 000977537.td-b3lyp_6-31g+(d).log.xz

000977537.td-b3lyp_6-31+g(d).qchem.inp (generated)

000977537.td-b3lyp_6-31+g(d).gjf (generated)

000977537.td-b3lyp_6-31+g(d).firefly.inp (generated)

000977537.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000977537.mol 000977537.PUBCHEM 000977537.mol (via Jmol)
000977541.b3lyp_6-31g(d).inp

000977541.b3lyp_6-31g(d).qchem.inp (generated)

000977541.b3lyp_6-31g(d).gjf (generated)

000977541.b3lyp_6-31g(d).firefly.inp (generated)

000977541.b3lyp_6-31g(d).smash.inp (generated)

000977541.b3lyp_6-31g(d).nwchem.inp (generated) 000977541.b3lyp_6-31g(d).log.xz 000977541.td-b3lyp_6-31g+(d).inp 000977541.td-b3lyp_6-31g+(d).log.xz

000977541.td-b3lyp_6-31+g(d).qchem.inp (generated)

000977541.td-b3lyp_6-31+g(d).gjf (generated)

000977541.td-b3lyp_6-31+g(d).firefly.inp (generated)

000977541.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000977541.mol 000977541.PUBCHEM 000977541.mol (via Jmol)
000977545.b3lyp_6-31g(d).inp

000977545.b3lyp_6-31g(d).qchem.inp (generated)

000977545.b3lyp_6-31g(d).gjf (generated)

000977545.b3lyp_6-31g(d).firefly.inp (generated)

000977545.b3lyp_6-31g(d).smash.inp (generated)

000977545.b3lyp_6-31g(d).nwchem.inp (generated) 000977545.b3lyp_6-31g(d).log.xz 000977545.td-b3lyp_6-31g+(d).inp 000977545.td-b3lyp_6-31g+(d).log.xz

000977545.td-b3lyp_6-31+g(d).qchem.inp (generated)

000977545.td-b3lyp_6-31+g(d).gjf (generated)

000977545.td-b3lyp_6-31+g(d).firefly.inp (generated)

000977545.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000977545.mol 000977545.PUBCHEM 000977545.mol (via Jmol)
000977560.b3lyp_6-31g(d).inp

000977560.b3lyp_6-31g(d).qchem.inp (generated)

000977560.b3lyp_6-31g(d).gjf (generated)

000977560.b3lyp_6-31g(d).firefly.inp (generated)

000977560.b3lyp_6-31g(d).smash.inp (generated)

000977560.b3lyp_6-31g(d).nwchem.inp (generated) 000977560.b3lyp_6-31g(d).log.xz 000977560.mol 000977560.PUBCHEM 000977560.mol (via Jmol)
000977580.b3lyp_6-31g(d).inp

000977580.b3lyp_6-31g(d).qchem.inp (generated)

000977580.b3lyp_6-31g(d).gjf (generated)

000977580.b3lyp_6-31g(d).firefly.inp (generated)

000977580.b3lyp_6-31g(d).smash.inp (generated)

000977580.b3lyp_6-31g(d).nwchem.inp (generated) 000977580.b3lyp_6-31g(d).log.xz 000977580.td-b3lyp_6-31g+(d).inp 000977580.td-b3lyp_6-31g+(d).log.xz

000977580.td-b3lyp_6-31+g(d).qchem.inp (generated)

000977580.td-b3lyp_6-31+g(d).gjf (generated)

000977580.td-b3lyp_6-31+g(d).firefly.inp (generated)

000977580.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000977580.mol 000977580.PUBCHEM 000977580.mol (via Jmol)
000977581.b3lyp_6-31g(d).inp

000977581.b3lyp_6-31g(d).qchem.inp (generated)

000977581.b3lyp_6-31g(d).gjf (generated)

000977581.b3lyp_6-31g(d).firefly.inp (generated)

000977581.b3lyp_6-31g(d).smash.inp (generated)

000977581.b3lyp_6-31g(d).nwchem.inp (generated) 000977581.b3lyp_6-31g(d).log.xz 000977581.td-b3lyp_6-31g+(d).inp 000977581.td-b3lyp_6-31g+(d).log.xz

000977581.td-b3lyp_6-31+g(d).qchem.inp (generated)

000977581.td-b3lyp_6-31+g(d).gjf (generated)

000977581.td-b3lyp_6-31+g(d).firefly.inp (generated)

000977581.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000977581.mol 000977581.PUBCHEM 000977581.mol (via Jmol)
000977615.b3lyp_6-31g(d).inp

000977615.b3lyp_6-31g(d).qchem.inp (generated)

000977615.b3lyp_6-31g(d).gjf (generated)

000977615.b3lyp_6-31g(d).firefly.inp (generated)

000977615.b3lyp_6-31g(d).smash.inp (generated)

000977615.b3lyp_6-31g(d).nwchem.inp (generated) 000977615.b3lyp_6-31g(d).log.xz 000977615.td-b3lyp_6-31g+(d).inp 000977615.td-b3lyp_6-31g+(d).log.xz

000977615.td-b3lyp_6-31+g(d).qchem.inp (generated)

000977615.td-b3lyp_6-31+g(d).gjf (generated)

000977615.td-b3lyp_6-31+g(d).firefly.inp (generated)

000977615.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000977615.mol 000977615.PUBCHEM 000977615.mol (via Jmol)
000977619.b3lyp_6-31g(d).inp

000977619.b3lyp_6-31g(d).qchem.inp (generated)

000977619.b3lyp_6-31g(d).gjf (generated)

000977619.b3lyp_6-31g(d).firefly.inp (generated)

000977619.b3lyp_6-31g(d).smash.inp (generated)

000977619.b3lyp_6-31g(d).nwchem.inp (generated) 000977619.b3lyp_6-31g(d).log.xz 000977619.mol 000977619.PUBCHEM 000977619.mol (via Jmol)
000977622.b3lyp_6-31g(d).inp

000977622.b3lyp_6-31g(d).qchem.inp (generated)

000977622.b3lyp_6-31g(d).gjf (generated)

000977622.b3lyp_6-31g(d).firefly.inp (generated)

000977622.b3lyp_6-31g(d).smash.inp (generated)

000977622.b3lyp_6-31g(d).nwchem.inp (generated) 000977622.b3lyp_6-31g(d).log.xz 000977622.mol 000977622.PUBCHEM 000977622.mol (via Jmol)
000977625.b3lyp_6-31g(d).inp

000977625.b3lyp_6-31g(d).qchem.inp (generated)

000977625.b3lyp_6-31g(d).gjf (generated)

000977625.b3lyp_6-31g(d).firefly.inp (generated)

000977625.b3lyp_6-31g(d).smash.inp (generated)

000977625.b3lyp_6-31g(d).nwchem.inp (generated) 000977625.b3lyp_6-31g(d).log.xz 000977625.td-b3lyp_6-31g+(d).inp 000977625.td-b3lyp_6-31g+(d).log.xz

000977625.td-b3lyp_6-31+g(d).qchem.inp (generated)

000977625.td-b3lyp_6-31+g(d).gjf (generated)

000977625.td-b3lyp_6-31+g(d).firefly.inp (generated)

000977625.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000977625.mol 000977625.PUBCHEM 000977625.mol (via Jmol)
000977628.b3lyp_6-31g(d).inp

000977628.b3lyp_6-31g(d).qchem.inp (generated)

000977628.b3lyp_6-31g(d).gjf (generated)

000977628.b3lyp_6-31g(d).firefly.inp (generated)

000977628.b3lyp_6-31g(d).smash.inp (generated)

000977628.b3lyp_6-31g(d).nwchem.inp (generated) 000977628.b3lyp_6-31g(d).log.xz 000977628.mol 000977628.PUBCHEM 000977628.mol (via Jmol)
000977690.b3lyp_6-31g(d).inp

000977690.b3lyp_6-31g(d).qchem.inp (generated)

000977690.b3lyp_6-31g(d).gjf (generated)

000977690.b3lyp_6-31g(d).firefly.inp (generated)

000977690.b3lyp_6-31g(d).smash.inp (generated)

000977690.b3lyp_6-31g(d).nwchem.inp (generated) 000977690.b3lyp_6-31g(d).log.xz 000977690.mol 000977690.PUBCHEM 000977690.mol (via Jmol)
000977691.b3lyp_6-31g(d).inp

000977691.b3lyp_6-31g(d).qchem.inp (generated)

000977691.b3lyp_6-31g(d).gjf (generated)

000977691.b3lyp_6-31g(d).firefly.inp (generated)

000977691.b3lyp_6-31g(d).smash.inp (generated)

000977691.b3lyp_6-31g(d).nwchem.inp (generated) 000977691.b3lyp_6-31g(d).log.xz 000977691.mol 000977691.PUBCHEM 000977691.mol (via Jmol)
000977702.b3lyp_6-31g(d).inp

000977702.b3lyp_6-31g(d).qchem.inp (generated)

000977702.b3lyp_6-31g(d).gjf (generated)

000977702.b3lyp_6-31g(d).firefly.inp (generated)

000977702.b3lyp_6-31g(d).smash.inp (generated)

000977702.b3lyp_6-31g(d).nwchem.inp (generated) 000977702.b3lyp_6-31g(d).log.xz 000977702.td-b3lyp_6-31g+(d).inp 000977702.td-b3lyp_6-31g+(d).log.xz

000977702.td-b3lyp_6-31+g(d).qchem.inp (generated)

000977702.td-b3lyp_6-31+g(d).gjf (generated)

000977702.td-b3lyp_6-31+g(d).firefly.inp (generated)

000977702.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000977702.mol 000977702.PUBCHEM 000977702.mol (via Jmol)
000977703.b3lyp_6-31g(d).inp

000977703.b3lyp_6-31g(d).qchem.inp (generated)

000977703.b3lyp_6-31g(d).gjf (generated)

000977703.b3lyp_6-31g(d).firefly.inp (generated)

000977703.b3lyp_6-31g(d).smash.inp (generated)

000977703.b3lyp_6-31g(d).nwchem.inp (generated) 000977703.b3lyp_6-31g(d).log.xz 000977703.td-b3lyp_6-31g+(d).inp 000977703.td-b3lyp_6-31g+(d).log.xz

000977703.td-b3lyp_6-31+g(d).qchem.inp (generated)

000977703.td-b3lyp_6-31+g(d).gjf (generated)

000977703.td-b3lyp_6-31+g(d).firefly.inp (generated)

000977703.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000977703.mol 000977703.PUBCHEM 000977703.mol (via Jmol)
000977716.b3lyp_6-31g(d).inp

000977716.b3lyp_6-31g(d).qchem.inp (generated)

000977716.b3lyp_6-31g(d).gjf (generated)

000977716.b3lyp_6-31g(d).firefly.inp (generated)

000977716.b3lyp_6-31g(d).smash.inp (generated)

000977716.b3lyp_6-31g(d).nwchem.inp (generated) 000977716.b3lyp_6-31g(d).log.xz 000977716.mol 000977716.PUBCHEM 000977716.mol (via Jmol)
000977724.b3lyp_6-31g(d).inp

000977724.b3lyp_6-31g(d).qchem.inp (generated)

000977724.b3lyp_6-31g(d).gjf (generated)

000977724.b3lyp_6-31g(d).firefly.inp (generated)

000977724.b3lyp_6-31g(d).smash.inp (generated)

000977724.b3lyp_6-31g(d).nwchem.inp (generated) 000977724.b3lyp_6-31g(d).log.xz 000977724.td-b3lyp_6-31g+(d).inp 000977724.td-b3lyp_6-31g+(d).log.xz

000977724.td-b3lyp_6-31+g(d).qchem.inp (generated)

000977724.td-b3lyp_6-31+g(d).gjf (generated)

000977724.td-b3lyp_6-31+g(d).firefly.inp (generated)

000977724.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000977724.mol 000977724.PUBCHEM 000977724.mol (via Jmol)
000977735.b3lyp_6-31g(d).inp

000977735.b3lyp_6-31g(d).qchem.inp (generated)

000977735.b3lyp_6-31g(d).gjf (generated)

000977735.b3lyp_6-31g(d).firefly.inp (generated)

000977735.b3lyp_6-31g(d).smash.inp (generated)

000977735.b3lyp_6-31g(d).nwchem.inp (generated) 000977735.b3lyp_6-31g(d).log.xz 000977735.mol 000977735.PUBCHEM 000977735.mol (via Jmol)
000977743.b3lyp_6-31g(d).inp

000977743.b3lyp_6-31g(d).qchem.inp (generated)

000977743.b3lyp_6-31g(d).gjf (generated)

000977743.b3lyp_6-31g(d).firefly.inp (generated)

000977743.b3lyp_6-31g(d).smash.inp (generated)

000977743.b3lyp_6-31g(d).nwchem.inp (generated) 000977743.b3lyp_6-31g(d).log.xz 000977743.td-b3lyp_6-31g+(d).inp 000977743.td-b3lyp_6-31g+(d).log.xz

000977743.td-b3lyp_6-31+g(d).qchem.inp (generated)

000977743.td-b3lyp_6-31+g(d).gjf (generated)

000977743.td-b3lyp_6-31+g(d).firefly.inp (generated)

000977743.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000977743.mol 000977743.PUBCHEM 000977743.mol (via Jmol)
000977749.b3lyp_6-31g(d).inp

000977749.b3lyp_6-31g(d).qchem.inp (generated)

000977749.b3lyp_6-31g(d).gjf (generated)

000977749.b3lyp_6-31g(d).firefly.inp (generated)

000977749.b3lyp_6-31g(d).smash.inp (generated)

000977749.b3lyp_6-31g(d).nwchem.inp (generated) 000977749.b3lyp_6-31g(d).log.xz 000977749.td-b3lyp_6-31g+(d).inp 000977749.td-b3lyp_6-31g+(d).log.xz

000977749.td-b3lyp_6-31+g(d).qchem.inp (generated)

000977749.td-b3lyp_6-31+g(d).gjf (generated)

000977749.td-b3lyp_6-31+g(d).firefly.inp (generated)

000977749.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000977749.mol 000977749.PUBCHEM 000977749.mol (via Jmol)
000977759.b3lyp_6-31g(d).inp

000977759.b3lyp_6-31g(d).qchem.inp (generated)

000977759.b3lyp_6-31g(d).gjf (generated)

000977759.b3lyp_6-31g(d).firefly.inp (generated)

000977759.b3lyp_6-31g(d).smash.inp (generated)

000977759.b3lyp_6-31g(d).nwchem.inp (generated) 000977759.b3lyp_6-31g(d).log.xz 000977759.td-b3lyp_6-31g+(d).inp 000977759.td-b3lyp_6-31g+(d).log.xz

000977759.td-b3lyp_6-31+g(d).qchem.inp (generated)

000977759.td-b3lyp_6-31+g(d).gjf (generated)

000977759.td-b3lyp_6-31+g(d).firefly.inp (generated)

000977759.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000977759.mol 000977759.PUBCHEM 000977759.mol (via Jmol)
000977764.b3lyp_6-31g(d).inp

000977764.b3lyp_6-31g(d).qchem.inp (generated)

000977764.b3lyp_6-31g(d).gjf (generated)

000977764.b3lyp_6-31g(d).firefly.inp (generated)

000977764.b3lyp_6-31g(d).smash.inp (generated)

000977764.b3lyp_6-31g(d).nwchem.inp (generated) 000977764.b3lyp_6-31g(d).log.xz 000977764.td-b3lyp_6-31g+(d).inp 000977764.td-b3lyp_6-31g+(d).log.xz

000977764.td-b3lyp_6-31+g(d).qchem.inp (generated)

000977764.td-b3lyp_6-31+g(d).gjf (generated)

000977764.td-b3lyp_6-31+g(d).firefly.inp (generated)

000977764.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000977764.mol 000977764.PUBCHEM 000977764.mol (via Jmol)
000977765.b3lyp_6-31g(d).inp

000977765.b3lyp_6-31g(d).qchem.inp (generated)

000977765.b3lyp_6-31g(d).gjf (generated)

000977765.b3lyp_6-31g(d).firefly.inp (generated)

000977765.b3lyp_6-31g(d).smash.inp (generated)

000977765.b3lyp_6-31g(d).nwchem.inp (generated) 000977765.b3lyp_6-31g(d).log.xz 000977765.td-b3lyp_6-31g+(d).inp 000977765.td-b3lyp_6-31g+(d).log.xz

000977765.td-b3lyp_6-31+g(d).qchem.inp (generated)

000977765.td-b3lyp_6-31+g(d).gjf (generated)

000977765.td-b3lyp_6-31+g(d).firefly.inp (generated)

000977765.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000977765.mol 000977765.PUBCHEM 000977765.mol (via Jmol)
000977790.b3lyp_6-31g(d).inp

000977790.b3lyp_6-31g(d).qchem.inp (generated)

000977790.b3lyp_6-31g(d).gjf (generated)

000977790.b3lyp_6-31g(d).firefly.inp (generated)

000977790.b3lyp_6-31g(d).smash.inp (generated)

000977790.b3lyp_6-31g(d).nwchem.inp (generated) 000977790.b3lyp_6-31g(d).log.xz 000977790.td-b3lyp_6-31g+(d).inp 000977790.td-b3lyp_6-31g+(d).log.xz

000977790.td-b3lyp_6-31+g(d).qchem.inp (generated)

000977790.td-b3lyp_6-31+g(d).gjf (generated)

000977790.td-b3lyp_6-31+g(d).firefly.inp (generated)

000977790.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000977790.mol 000977790.PUBCHEM 000977790.mol (via Jmol)
000977791.b3lyp_6-31g(d).inp

000977791.b3lyp_6-31g(d).qchem.inp (generated)

000977791.b3lyp_6-31g(d).gjf (generated)

000977791.b3lyp_6-31g(d).firefly.inp (generated)

000977791.b3lyp_6-31g(d).smash.inp (generated)

000977791.b3lyp_6-31g(d).nwchem.inp (generated) 000977791.b3lyp_6-31g(d).log.xz 000977791.td-b3lyp_6-31g+(d).inp 000977791.td-b3lyp_6-31g+(d).log.xz

000977791.td-b3lyp_6-31+g(d).qchem.inp (generated)

000977791.td-b3lyp_6-31+g(d).gjf (generated)

000977791.td-b3lyp_6-31+g(d).firefly.inp (generated)

000977791.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000977791.mol 000977791.PUBCHEM 000977791.mol (via Jmol)
000977795.b3lyp_6-31g(d).inp

000977795.b3lyp_6-31g(d).qchem.inp (generated)

000977795.b3lyp_6-31g(d).gjf (generated)

000977795.b3lyp_6-31g(d).firefly.inp (generated)

000977795.b3lyp_6-31g(d).smash.inp (generated)

000977795.b3lyp_6-31g(d).nwchem.inp (generated) 000977795.b3lyp_6-31g(d).log.xz 000977795.td-b3lyp_6-31g+(d).inp 000977795.td-b3lyp_6-31g+(d).log.xz

000977795.td-b3lyp_6-31+g(d).qchem.inp (generated)

000977795.td-b3lyp_6-31+g(d).gjf (generated)

000977795.td-b3lyp_6-31+g(d).firefly.inp (generated)

000977795.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000977795.mol 000977795.PUBCHEM 000977795.mol (via Jmol)
000977798.b3lyp_6-31g(d).inp

000977798.b3lyp_6-31g(d).qchem.inp (generated)

000977798.b3lyp_6-31g(d).gjf (generated)

000977798.b3lyp_6-31g(d).firefly.inp (generated)

000977798.b3lyp_6-31g(d).smash.inp (generated)

000977798.b3lyp_6-31g(d).nwchem.inp (generated) 000977798.b3lyp_6-31g(d).log.xz 000977798.td-b3lyp_6-31g+(d).inp 000977798.td-b3lyp_6-31g+(d).log.xz

000977798.td-b3lyp_6-31+g(d).qchem.inp (generated)

000977798.td-b3lyp_6-31+g(d).gjf (generated)

000977798.td-b3lyp_6-31+g(d).firefly.inp (generated)

000977798.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000977798.mol 000977798.PUBCHEM 000977798.mol (via Jmol)
000977799.b3lyp_6-31g(d).inp

000977799.b3lyp_6-31g(d).qchem.inp (generated)

000977799.b3lyp_6-31g(d).gjf (generated)

000977799.b3lyp_6-31g(d).firefly.inp (generated)

000977799.b3lyp_6-31g(d).smash.inp (generated)

000977799.b3lyp_6-31g(d).nwchem.inp (generated) 000977799.b3lyp_6-31g(d).log.xz 000977799.td-b3lyp_6-31g+(d).inp 000977799.td-b3lyp_6-31g+(d).log.xz

000977799.td-b3lyp_6-31+g(d).qchem.inp (generated)

000977799.td-b3lyp_6-31+g(d).gjf (generated)

000977799.td-b3lyp_6-31+g(d).firefly.inp (generated)

000977799.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000977799.mol 000977799.PUBCHEM 000977799.mol (via Jmol)
000977802.b3lyp_6-31g(d).inp

000977802.b3lyp_6-31g(d).qchem.inp (generated)

000977802.b3lyp_6-31g(d).gjf (generated)

000977802.b3lyp_6-31g(d).firefly.inp (generated)

000977802.b3lyp_6-31g(d).smash.inp (generated)

000977802.b3lyp_6-31g(d).nwchem.inp (generated) 000977802.b3lyp_6-31g(d).log.xz 000977802.td-b3lyp_6-31g+(d).inp 000977802.td-b3lyp_6-31g+(d).log.xz

000977802.td-b3lyp_6-31+g(d).qchem.inp (generated)

000977802.td-b3lyp_6-31+g(d).gjf (generated)

000977802.td-b3lyp_6-31+g(d).firefly.inp (generated)

000977802.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000977802.mol 000977802.PUBCHEM 000977802.mol (via Jmol)
000977818.b3lyp_6-31g(d).inp

000977818.b3lyp_6-31g(d).qchem.inp (generated)

000977818.b3lyp_6-31g(d).gjf (generated)

000977818.b3lyp_6-31g(d).firefly.inp (generated)

000977818.b3lyp_6-31g(d).smash.inp (generated)

000977818.b3lyp_6-31g(d).nwchem.inp (generated) 000977818.b3lyp_6-31g(d).log.xz 000977818.td-b3lyp_6-31g+(d).inp 000977818.td-b3lyp_6-31g+(d).log.xz

000977818.td-b3lyp_6-31+g(d).qchem.inp (generated)

000977818.td-b3lyp_6-31+g(d).gjf (generated)

000977818.td-b3lyp_6-31+g(d).firefly.inp (generated)

000977818.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000977818.mol 000977818.PUBCHEM 000977818.mol (via Jmol)
000977819.b3lyp_6-31g(d).inp

000977819.b3lyp_6-31g(d).qchem.inp (generated)

000977819.b3lyp_6-31g(d).gjf (generated)

000977819.b3lyp_6-31g(d).firefly.inp (generated)

000977819.b3lyp_6-31g(d).smash.inp (generated)

000977819.b3lyp_6-31g(d).nwchem.inp (generated) 000977819.b3lyp_6-31g(d).log.xz 000977819.td-b3lyp_6-31g+(d).inp 000977819.td-b3lyp_6-31g+(d).log.xz

000977819.td-b3lyp_6-31+g(d).qchem.inp (generated)

000977819.td-b3lyp_6-31+g(d).gjf (generated)

000977819.td-b3lyp_6-31+g(d).firefly.inp (generated)

000977819.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000977819.mol 000977819.PUBCHEM 000977819.mol (via Jmol)
000977845.b3lyp_6-31g(d).inp

000977845.b3lyp_6-31g(d).qchem.inp (generated)

000977845.b3lyp_6-31g(d).gjf (generated)

000977845.b3lyp_6-31g(d).firefly.inp (generated)

000977845.b3lyp_6-31g(d).smash.inp (generated)

000977845.b3lyp_6-31g(d).nwchem.inp (generated) 000977845.b3lyp_6-31g(d).log.xz 000977845.mol 000977845.PUBCHEM 000977845.mol (via Jmol)
000977897.b3lyp_6-31g(d).inp

000977897.b3lyp_6-31g(d).qchem.inp (generated)

000977897.b3lyp_6-31g(d).gjf (generated)

000977897.b3lyp_6-31g(d).firefly.inp (generated)

000977897.b3lyp_6-31g(d).smash.inp (generated)

000977897.b3lyp_6-31g(d).nwchem.inp (generated) 000977897.b3lyp_6-31g(d).log.xz 000977897.td-b3lyp_6-31g+(d).inp 000977897.td-b3lyp_6-31g+(d).log.xz

000977897.td-b3lyp_6-31+g(d).qchem.inp (generated)

000977897.td-b3lyp_6-31+g(d).gjf (generated)

000977897.td-b3lyp_6-31+g(d).firefly.inp (generated)

000977897.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000977897.mol 000977897.PUBCHEM 000977897.mol (via Jmol)
000978073.b3lyp_6-31g(d).inp

000978073.b3lyp_6-31g(d).qchem.inp (generated)

000978073.b3lyp_6-31g(d).gjf (generated)

000978073.b3lyp_6-31g(d).firefly.inp (generated)

000978073.b3lyp_6-31g(d).smash.inp (generated)

000978073.b3lyp_6-31g(d).nwchem.inp (generated) 000978073.b3lyp_6-31g(d).log.xz 000978073.td-b3lyp_6-31g+(d).inp 000978073.td-b3lyp_6-31g+(d).log.xz

000978073.td-b3lyp_6-31+g(d).qchem.inp (generated)

000978073.td-b3lyp_6-31+g(d).gjf (generated)

000978073.td-b3lyp_6-31+g(d).firefly.inp (generated)

000978073.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000978073.mol 000978073.PUBCHEM 000978073.mol (via Jmol)
000978074.b3lyp_6-31g(d).inp

000978074.b3lyp_6-31g(d).qchem.inp (generated)

000978074.b3lyp_6-31g(d).gjf (generated)

000978074.b3lyp_6-31g(d).firefly.inp (generated)

000978074.b3lyp_6-31g(d).smash.inp (generated)

000978074.b3lyp_6-31g(d).nwchem.inp (generated) 000978074.b3lyp_6-31g(d).log.xz 000978074.td-b3lyp_6-31g+(d).inp 000978074.td-b3lyp_6-31g+(d).log.xz

000978074.td-b3lyp_6-31+g(d).qchem.inp (generated)

000978074.td-b3lyp_6-31+g(d).gjf (generated)

000978074.td-b3lyp_6-31+g(d).firefly.inp (generated)

000978074.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000978074.mol 000978074.PUBCHEM 000978074.mol (via Jmol)
000978094.b3lyp_6-31g(d).inp

000978094.b3lyp_6-31g(d).qchem.inp (generated)

000978094.b3lyp_6-31g(d).gjf (generated)

000978094.b3lyp_6-31g(d).firefly.inp (generated)

000978094.b3lyp_6-31g(d).smash.inp (generated)

000978094.b3lyp_6-31g(d).nwchem.inp (generated) 000978094.b3lyp_6-31g(d).log.xz 000978094.mol 000978094.PUBCHEM 000978094.mol (via Jmol)
000978108.b3lyp_6-31g(d).inp

000978108.b3lyp_6-31g(d).qchem.inp (generated)

000978108.b3lyp_6-31g(d).gjf (generated)

000978108.b3lyp_6-31g(d).firefly.inp (generated)

000978108.b3lyp_6-31g(d).smash.inp (generated)

000978108.b3lyp_6-31g(d).nwchem.inp (generated) 000978108.b3lyp_6-31g(d).log.xz 000978108.td-b3lyp_6-31g+(d).inp 000978108.td-b3lyp_6-31g+(d).log.xz

000978108.td-b3lyp_6-31+g(d).qchem.inp (generated)

000978108.td-b3lyp_6-31+g(d).gjf (generated)

000978108.td-b3lyp_6-31+g(d).firefly.inp (generated)

000978108.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000978108.mol 000978108.PUBCHEM 000978108.mol (via Jmol)
000978229.b3lyp_6-31g(d).inp

000978229.b3lyp_6-31g(d).qchem.inp (generated)

000978229.b3lyp_6-31g(d).gjf (generated)

000978229.b3lyp_6-31g(d).firefly.inp (generated)

000978229.b3lyp_6-31g(d).smash.inp (generated)

000978229.b3lyp_6-31g(d).nwchem.inp (generated) 000978229.b3lyp_6-31g(d).log.xz 000978229.mol 000978229.PUBCHEM 000978229.mol (via Jmol)
000978230.b3lyp_6-31g(d).inp

000978230.b3lyp_6-31g(d).qchem.inp (generated)

000978230.b3lyp_6-31g(d).gjf (generated)

000978230.b3lyp_6-31g(d).firefly.inp (generated)

000978230.b3lyp_6-31g(d).smash.inp (generated)

000978230.b3lyp_6-31g(d).nwchem.inp (generated) 000978230.b3lyp_6-31g(d).log.xz 000978230.mol 000978230.PUBCHEM 000978230.mol (via Jmol)
000978246.b3lyp_6-31g(d).inp

000978246.b3lyp_6-31g(d).qchem.inp (generated)

000978246.b3lyp_6-31g(d).gjf (generated)

000978246.b3lyp_6-31g(d).firefly.inp (generated)

000978246.b3lyp_6-31g(d).smash.inp (generated)

000978246.b3lyp_6-31g(d).nwchem.inp (generated) 000978246.b3lyp_6-31g(d).log.xz 000978246.mol 000978246.PUBCHEM 000978246.mol (via Jmol)
000978252.b3lyp_6-31g(d).inp

000978252.b3lyp_6-31g(d).qchem.inp (generated)

000978252.b3lyp_6-31g(d).gjf (generated)

000978252.b3lyp_6-31g(d).firefly.inp (generated)

000978252.b3lyp_6-31g(d).smash.inp (generated)

000978252.b3lyp_6-31g(d).nwchem.inp (generated) 000978252.b3lyp_6-31g(d).log.xz 000978252.mol 000978252.PUBCHEM 000978252.mol (via Jmol)
000978283.b3lyp_6-31g(d).inp

000978283.b3lyp_6-31g(d).qchem.inp (generated)

000978283.b3lyp_6-31g(d).gjf (generated)

000978283.b3lyp_6-31g(d).firefly.inp (generated)

000978283.b3lyp_6-31g(d).smash.inp (generated)

000978283.b3lyp_6-31g(d).nwchem.inp (generated) 000978283.b3lyp_6-31g(d).log.xz 000978283.mol 000978283.PUBCHEM 000978283.mol (via Jmol)
000978284.b3lyp_6-31g(d).inp

000978284.b3lyp_6-31g(d).qchem.inp (generated)

000978284.b3lyp_6-31g(d).gjf (generated)

000978284.b3lyp_6-31g(d).firefly.inp (generated)

000978284.b3lyp_6-31g(d).smash.inp (generated)

000978284.b3lyp_6-31g(d).nwchem.inp (generated) 000978284.b3lyp_6-31g(d).log.xz 000978284.mol 000978284.PUBCHEM 000978284.mol (via Jmol)


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