Index of

Last updated : Thu Jun 22 02:29:55 JST 2017
Total : 1786 (1425) in this page
000650014.b3lyp_6-31g(d).inp

000650014.b3lyp_6-31g(d).qchem.inp (generated)

000650014.b3lyp_6-31g(d).gjf (generated)

000650014.b3lyp_6-31g(d).firefly.inp (generated)

000650014.b3lyp_6-31g(d).smash.inp (generated)

000650014.b3lyp_6-31g(d).nwchem.inp (generated) 000650014.b3lyp_6-31g(d).log.xz 000650014.td-b3lyp_6-31g+(d).inp 000650014.td-b3lyp_6-31g+(d).log.xz

000650014.td-b3lyp_6-31+g(d).qchem.inp (generated)

000650014.td-b3lyp_6-31+g(d).gjf (generated)

000650014.td-b3lyp_6-31+g(d).firefly.inp (generated)

000650014.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000650014.mol 000650014.PUBCHEM 000650014.mol (via Jmol)
000650034.b3lyp_6-31g(d).inp

000650034.b3lyp_6-31g(d).qchem.inp (generated)

000650034.b3lyp_6-31g(d).gjf (generated)

000650034.b3lyp_6-31g(d).firefly.inp (generated)

000650034.b3lyp_6-31g(d).smash.inp (generated)

000650034.b3lyp_6-31g(d).nwchem.inp (generated) 000650034.b3lyp_6-31g(d).log.xz 000650034.mol 000650034.PUBCHEM 000650034.mol (via Jmol)
000650088.b3lyp_6-31g(d).inp

000650088.b3lyp_6-31g(d).qchem.inp (generated)

000650088.b3lyp_6-31g(d).gjf (generated)

000650088.b3lyp_6-31g(d).firefly.inp (generated)

000650088.b3lyp_6-31g(d).smash.inp (generated)

000650088.b3lyp_6-31g(d).nwchem.inp (generated) 000650088.b3lyp_6-31g(d).log.xz 000650088.td-b3lyp_6-31g+(d).inp 000650088.td-b3lyp_6-31g+(d).log.xz

000650088.td-b3lyp_6-31+g(d).qchem.inp (generated)

000650088.td-b3lyp_6-31+g(d).gjf (generated)

000650088.td-b3lyp_6-31+g(d).firefly.inp (generated)

000650088.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000650088.mol 000650088.PUBCHEM 000650088.mol (via Jmol)
000650108.b3lyp_6-31g(d).inp

000650108.b3lyp_6-31g(d).qchem.inp (generated)

000650108.b3lyp_6-31g(d).gjf (generated)

000650108.b3lyp_6-31g(d).firefly.inp (generated)

000650108.b3lyp_6-31g(d).smash.inp (generated)

000650108.b3lyp_6-31g(d).nwchem.inp (generated) 000650108.b3lyp_6-31g(d).log.xz 000650108.mol 000650108.PUBCHEM 000650108.mol (via Jmol)
000650122.b3lyp_6-31g(d).inp

000650122.b3lyp_6-31g(d).qchem.inp (generated)

000650122.b3lyp_6-31g(d).gjf (generated)

000650122.b3lyp_6-31g(d).firefly.inp (generated)

000650122.b3lyp_6-31g(d).smash.inp (generated)

000650122.b3lyp_6-31g(d).nwchem.inp (generated) 000650122.b3lyp_6-31g(d).log.xz 000650122.td-b3lyp_6-31g+(d).inp 000650122.td-b3lyp_6-31g+(d).log.xz

000650122.td-b3lyp_6-31+g(d).qchem.inp (generated)

000650122.td-b3lyp_6-31+g(d).gjf (generated)

000650122.td-b3lyp_6-31+g(d).firefly.inp (generated)

000650122.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000650122.mol 000650122.PUBCHEM 000650122.mol (via Jmol)
000650131.b3lyp_6-31g(d).inp

000650131.b3lyp_6-31g(d).qchem.inp (generated)

000650131.b3lyp_6-31g(d).gjf (generated)

000650131.b3lyp_6-31g(d).firefly.inp (generated)

000650131.b3lyp_6-31g(d).smash.inp (generated)

000650131.b3lyp_6-31g(d).nwchem.inp (generated) 000650131.b3lyp_6-31g(d).log.xz 000650131.td-b3lyp_6-31g+(d).inp 000650131.td-b3lyp_6-31g+(d).log.xz

000650131.td-b3lyp_6-31+g(d).qchem.inp (generated)

000650131.td-b3lyp_6-31+g(d).gjf (generated)

000650131.td-b3lyp_6-31+g(d).firefly.inp (generated)

000650131.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000650131.mol 000650131.PUBCHEM 000650131.mol (via Jmol)
000650142.b3lyp_6-31g(d).inp

000650142.b3lyp_6-31g(d).qchem.inp (generated)

000650142.b3lyp_6-31g(d).gjf (generated)

000650142.b3lyp_6-31g(d).firefly.inp (generated)

000650142.b3lyp_6-31g(d).smash.inp (generated)

000650142.b3lyp_6-31g(d).nwchem.inp (generated) 000650142.b3lyp_6-31g(d).log.xz 000650142.td-b3lyp_6-31g+(d).inp 000650142.td-b3lyp_6-31g+(d).log.xz

000650142.td-b3lyp_6-31+g(d).qchem.inp (generated)

000650142.td-b3lyp_6-31+g(d).gjf (generated)

000650142.td-b3lyp_6-31+g(d).firefly.inp (generated)

000650142.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000650142.mol 000650142.PUBCHEM 000650142.mol (via Jmol)
000650204.b3lyp_6-31g(d).inp

000650204.b3lyp_6-31g(d).qchem.inp (generated)

000650204.b3lyp_6-31g(d).gjf (generated)

000650204.b3lyp_6-31g(d).firefly.inp (generated)

000650204.b3lyp_6-31g(d).smash.inp (generated)

000650204.b3lyp_6-31g(d).nwchem.inp (generated) 000650204.b3lyp_6-31g(d).log.xz 000650204.td-b3lyp_6-31g+(d).inp 000650204.td-b3lyp_6-31g+(d).log.xz

000650204.td-b3lyp_6-31+g(d).qchem.inp (generated)

000650204.td-b3lyp_6-31+g(d).gjf (generated)

000650204.td-b3lyp_6-31+g(d).firefly.inp (generated)

000650204.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000650204.mol 000650204.PUBCHEM 000650204.mol (via Jmol)
000650217.b3lyp_6-31g(d).inp

000650217.b3lyp_6-31g(d).qchem.inp (generated)

000650217.b3lyp_6-31g(d).gjf (generated)

000650217.b3lyp_6-31g(d).firefly.inp (generated)

000650217.b3lyp_6-31g(d).smash.inp (generated)

000650217.b3lyp_6-31g(d).nwchem.inp (generated) 000650217.b3lyp_6-31g(d).log.xz 000650217.td-b3lyp_6-31g+(d).inp 000650217.td-b3lyp_6-31g+(d).log.xz

000650217.td-b3lyp_6-31+g(d).qchem.inp (generated)

000650217.td-b3lyp_6-31+g(d).gjf (generated)

000650217.td-b3lyp_6-31+g(d).firefly.inp (generated)

000650217.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000650217.mol 000650217.PUBCHEM 000650217.mol (via Jmol)
000650232.b3lyp_6-31g(d).inp

000650232.b3lyp_6-31g(d).qchem.inp (generated)

000650232.b3lyp_6-31g(d).gjf (generated)

000650232.b3lyp_6-31g(d).firefly.inp (generated)

000650232.b3lyp_6-31g(d).smash.inp (generated)

000650232.b3lyp_6-31g(d).nwchem.inp (generated) 000650232.b3lyp_6-31g(d).log.xz 000650232.td-b3lyp_6-31g+(d).inp 000650232.td-b3lyp_6-31g+(d).log.xz

000650232.td-b3lyp_6-31+g(d).qchem.inp (generated)

000650232.td-b3lyp_6-31+g(d).gjf (generated)

000650232.td-b3lyp_6-31+g(d).firefly.inp (generated)

000650232.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000650232.mol 000650232.PUBCHEM 000650232.mol (via Jmol)
000650248.b3lyp_6-31g(d).inp

000650248.b3lyp_6-31g(d).qchem.inp (generated)

000650248.b3lyp_6-31g(d).gjf (generated)

000650248.b3lyp_6-31g(d).firefly.inp (generated)

000650248.b3lyp_6-31g(d).smash.inp (generated)

000650248.b3lyp_6-31g(d).nwchem.inp (generated) 000650248.b3lyp_6-31g(d).log.xz 000650248.td-b3lyp_6-31g+(d).inp 000650248.td-b3lyp_6-31g+(d).log.xz

000650248.td-b3lyp_6-31+g(d).qchem.inp (generated)

000650248.td-b3lyp_6-31+g(d).gjf (generated)

000650248.td-b3lyp_6-31+g(d).firefly.inp (generated)

000650248.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000650248.mol 000650248.PUBCHEM 000650248.mol (via Jmol)
000650251.b3lyp_6-31g(d).inp

000650251.b3lyp_6-31g(d).qchem.inp (generated)

000650251.b3lyp_6-31g(d).gjf (generated)

000650251.b3lyp_6-31g(d).firefly.inp (generated)

000650251.b3lyp_6-31g(d).smash.inp (generated)

000650251.b3lyp_6-31g(d).nwchem.inp (generated) 000650251.b3lyp_6-31g(d).log.xz 000650251.td-b3lyp_6-31g+(d).inp 000650251.td-b3lyp_6-31g+(d).log.xz

000650251.td-b3lyp_6-31+g(d).qchem.inp (generated)

000650251.td-b3lyp_6-31+g(d).gjf (generated)

000650251.td-b3lyp_6-31+g(d).firefly.inp (generated)

000650251.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000650251.mol 000650251.PUBCHEM 000650251.mol (via Jmol)
000650254.b3lyp_6-31g(d).inp

000650254.b3lyp_6-31g(d).qchem.inp (generated)

000650254.b3lyp_6-31g(d).gjf (generated)

000650254.b3lyp_6-31g(d).firefly.inp (generated)

000650254.b3lyp_6-31g(d).smash.inp (generated)

000650254.b3lyp_6-31g(d).nwchem.inp (generated) 000650254.b3lyp_6-31g(d).log.xz 000650254.mol 000650254.PUBCHEM 000650254.mol (via Jmol)
000650260.b3lyp_6-31g(d).inp

000650260.b3lyp_6-31g(d).qchem.inp (generated)

000650260.b3lyp_6-31g(d).gjf (generated)

000650260.b3lyp_6-31g(d).firefly.inp (generated)

000650260.b3lyp_6-31g(d).smash.inp (generated)

000650260.b3lyp_6-31g(d).nwchem.inp (generated) 000650260.b3lyp_6-31g(d).log.xz 000650260.td-b3lyp_6-31g+(d).inp 000650260.td-b3lyp_6-31g+(d).log.xz

000650260.td-b3lyp_6-31+g(d).qchem.inp (generated)

000650260.td-b3lyp_6-31+g(d).gjf (generated)

000650260.td-b3lyp_6-31+g(d).firefly.inp (generated)

000650260.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000650260.mol 000650260.PUBCHEM 000650260.mol (via Jmol)
000650269.b3lyp_6-31g(d).inp

000650269.b3lyp_6-31g(d).qchem.inp (generated)

000650269.b3lyp_6-31g(d).gjf (generated)

000650269.b3lyp_6-31g(d).firefly.inp (generated)

000650269.b3lyp_6-31g(d).smash.inp (generated)

000650269.b3lyp_6-31g(d).nwchem.inp (generated) 000650269.b3lyp_6-31g(d).log.xz 000650269.td-b3lyp_6-31g+(d).inp 000650269.td-b3lyp_6-31g+(d).log.xz

000650269.td-b3lyp_6-31+g(d).qchem.inp (generated)

000650269.td-b3lyp_6-31+g(d).gjf (generated)

000650269.td-b3lyp_6-31+g(d).firefly.inp (generated)

000650269.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000650269.mol 000650269.PUBCHEM 000650269.mol (via Jmol)
000650276.b3lyp_6-31g(d).inp

000650276.b3lyp_6-31g(d).qchem.inp (generated)

000650276.b3lyp_6-31g(d).gjf (generated)

000650276.b3lyp_6-31g(d).firefly.inp (generated)

000650276.b3lyp_6-31g(d).smash.inp (generated)

000650276.b3lyp_6-31g(d).nwchem.inp (generated) 000650276.b3lyp_6-31g(d).log.xz 000650276.td-b3lyp_6-31g+(d).inp 000650276.td-b3lyp_6-31g+(d).log.xz

000650276.td-b3lyp_6-31+g(d).qchem.inp (generated)

000650276.td-b3lyp_6-31+g(d).gjf (generated)

000650276.td-b3lyp_6-31+g(d).firefly.inp (generated)

000650276.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000650276.mol 000650276.PUBCHEM 000650276.mol (via Jmol)
000650292.b3lyp_6-31g(d).inp

000650292.b3lyp_6-31g(d).qchem.inp (generated)

000650292.b3lyp_6-31g(d).gjf (generated)

000650292.b3lyp_6-31g(d).firefly.inp (generated)

000650292.b3lyp_6-31g(d).smash.inp (generated)

000650292.b3lyp_6-31g(d).nwchem.inp (generated) 000650292.b3lyp_6-31g(d).log.xz 000650292.td-b3lyp_6-31g+(d).inp 000650292.td-b3lyp_6-31g+(d).log.xz

000650292.td-b3lyp_6-31+g(d).qchem.inp (generated)

000650292.td-b3lyp_6-31+g(d).gjf (generated)

000650292.td-b3lyp_6-31+g(d).firefly.inp (generated)

000650292.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000650292.mol 000650292.PUBCHEM 000650292.mol (via Jmol)
000650309.b3lyp_6-31g(d).inp

000650309.b3lyp_6-31g(d).qchem.inp (generated)

000650309.b3lyp_6-31g(d).gjf (generated)

000650309.b3lyp_6-31g(d).firefly.inp (generated)

000650309.b3lyp_6-31g(d).smash.inp (generated)

000650309.b3lyp_6-31g(d).nwchem.inp (generated) 000650309.b3lyp_6-31g(d).log.xz 000650309.td-b3lyp_6-31g+(d).inp 000650309.td-b3lyp_6-31g+(d).log.xz

000650309.td-b3lyp_6-31+g(d).qchem.inp (generated)

000650309.td-b3lyp_6-31+g(d).gjf (generated)

000650309.td-b3lyp_6-31+g(d).firefly.inp (generated)

000650309.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000650309.mol 000650309.PUBCHEM 000650309.mol (via Jmol)
000650313.b3lyp_6-31g(d).inp

000650313.b3lyp_6-31g(d).qchem.inp (generated)

000650313.b3lyp_6-31g(d).gjf (generated)

000650313.b3lyp_6-31g(d).firefly.inp (generated)

000650313.b3lyp_6-31g(d).smash.inp (generated)

000650313.b3lyp_6-31g(d).nwchem.inp (generated) 000650313.b3lyp_6-31g(d).log.xz 000650313.td-b3lyp_6-31g+(d).inp 000650313.td-b3lyp_6-31g+(d).log.xz

000650313.td-b3lyp_6-31+g(d).qchem.inp (generated)

000650313.td-b3lyp_6-31+g(d).gjf (generated)

000650313.td-b3lyp_6-31+g(d).firefly.inp (generated)

000650313.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000650313.mol 000650313.PUBCHEM 000650313.mol (via Jmol)
000650363.b3lyp_6-31g(d).inp

000650363.b3lyp_6-31g(d).qchem.inp (generated)

000650363.b3lyp_6-31g(d).gjf (generated)

000650363.b3lyp_6-31g(d).firefly.inp (generated)

000650363.b3lyp_6-31g(d).smash.inp (generated)

000650363.b3lyp_6-31g(d).nwchem.inp (generated) 000650363.b3lyp_6-31g(d).log.xz 000650363.mol 000650363.PUBCHEM 000650363.mol (via Jmol)
000650389.b3lyp_6-31g(d).inp

000650389.b3lyp_6-31g(d).qchem.inp (generated)

000650389.b3lyp_6-31g(d).gjf (generated)

000650389.b3lyp_6-31g(d).firefly.inp (generated)

000650389.b3lyp_6-31g(d).smash.inp (generated)

000650389.b3lyp_6-31g(d).nwchem.inp (generated) 000650389.b3lyp_6-31g(d).log.xz 000650389.td-b3lyp_6-31g+(d).inp 000650389.td-b3lyp_6-31g+(d).log.xz

000650389.td-b3lyp_6-31+g(d).qchem.inp (generated)

000650389.td-b3lyp_6-31+g(d).gjf (generated)

000650389.td-b3lyp_6-31+g(d).firefly.inp (generated)

000650389.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000650389.mol 000650389.PUBCHEM 000650389.mol (via Jmol)
000650401.b3lyp_6-31g(d).inp

000650401.b3lyp_6-31g(d).qchem.inp (generated)

000650401.b3lyp_6-31g(d).gjf (generated)

000650401.b3lyp_6-31g(d).firefly.inp (generated)

000650401.b3lyp_6-31g(d).smash.inp (generated)

000650401.b3lyp_6-31g(d).nwchem.inp (generated) 000650401.b3lyp_6-31g(d).log.xz 000650401.td-b3lyp_6-31g+(d).inp 000650401.td-b3lyp_6-31g+(d).log.xz

000650401.td-b3lyp_6-31+g(d).qchem.inp (generated)

000650401.td-b3lyp_6-31+g(d).gjf (generated)

000650401.td-b3lyp_6-31+g(d).firefly.inp (generated)

000650401.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000650401.mol 000650401.PUBCHEM 000650401.mol (via Jmol)
000650402.b3lyp_6-31g(d).inp

000650402.b3lyp_6-31g(d).qchem.inp (generated)

000650402.b3lyp_6-31g(d).gjf (generated)

000650402.b3lyp_6-31g(d).firefly.inp (generated)

000650402.b3lyp_6-31g(d).smash.inp (generated)

000650402.b3lyp_6-31g(d).nwchem.inp (generated) 000650402.b3lyp_6-31g(d).log.xz 000650402.td-b3lyp_6-31g+(d).inp 000650402.td-b3lyp_6-31g+(d).log.xz

000650402.td-b3lyp_6-31+g(d).qchem.inp (generated)

000650402.td-b3lyp_6-31+g(d).gjf (generated)

000650402.td-b3lyp_6-31+g(d).firefly.inp (generated)

000650402.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000650402.mol 000650402.PUBCHEM 000650402.mol (via Jmol)
000650409.b3lyp_6-31g(d).inp

000650409.b3lyp_6-31g(d).qchem.inp (generated)

000650409.b3lyp_6-31g(d).gjf (generated)

000650409.b3lyp_6-31g(d).firefly.inp (generated)

000650409.b3lyp_6-31g(d).smash.inp (generated)

000650409.b3lyp_6-31g(d).nwchem.inp (generated) 000650409.b3lyp_6-31g(d).log.xz 000650409.td-b3lyp_6-31g+(d).inp 000650409.td-b3lyp_6-31g+(d).log.xz

000650409.td-b3lyp_6-31+g(d).qchem.inp (generated)

000650409.td-b3lyp_6-31+g(d).gjf (generated)

000650409.td-b3lyp_6-31+g(d).firefly.inp (generated)

000650409.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000650409.mol 000650409.PUBCHEM 000650409.mol (via Jmol)
000650421.b3lyp_6-31g(d).inp

000650421.b3lyp_6-31g(d).qchem.inp (generated)

000650421.b3lyp_6-31g(d).gjf (generated)

000650421.b3lyp_6-31g(d).firefly.inp (generated)

000650421.b3lyp_6-31g(d).smash.inp (generated)

000650421.b3lyp_6-31g(d).nwchem.inp (generated) 000650421.b3lyp_6-31g(d).log.xz 000650421.td-b3lyp_6-31g+(d).inp 000650421.td-b3lyp_6-31g+(d).log.xz

000650421.td-b3lyp_6-31+g(d).qchem.inp (generated)

000650421.td-b3lyp_6-31+g(d).gjf (generated)

000650421.td-b3lyp_6-31+g(d).firefly.inp (generated)

000650421.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000650421.mol 000650421.PUBCHEM 000650421.mol (via Jmol)
000650423.b3lyp_6-31g(d).inp

000650423.b3lyp_6-31g(d).qchem.inp (generated)

000650423.b3lyp_6-31g(d).gjf (generated)

000650423.b3lyp_6-31g(d).firefly.inp (generated)

000650423.b3lyp_6-31g(d).smash.inp (generated)

000650423.b3lyp_6-31g(d).nwchem.inp (generated) 000650423.b3lyp_6-31g(d).log.xz 000650423.td-b3lyp_6-31g+(d).inp 000650423.td-b3lyp_6-31g+(d).log.xz

000650423.td-b3lyp_6-31+g(d).qchem.inp (generated)

000650423.td-b3lyp_6-31+g(d).gjf (generated)

000650423.td-b3lyp_6-31+g(d).firefly.inp (generated)

000650423.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000650423.mol 000650423.PUBCHEM 000650423.mol (via Jmol)
000650467.b3lyp_6-31g(d).inp

000650467.b3lyp_6-31g(d).qchem.inp (generated)

000650467.b3lyp_6-31g(d).gjf (generated)

000650467.b3lyp_6-31g(d).firefly.inp (generated)

000650467.b3lyp_6-31g(d).smash.inp (generated)

000650467.b3lyp_6-31g(d).nwchem.inp (generated) 000650467.b3lyp_6-31g(d).log.xz 000650467.td-b3lyp_6-31g+(d).inp 000650467.td-b3lyp_6-31g+(d).log.xz

000650467.td-b3lyp_6-31+g(d).qchem.inp (generated)

000650467.td-b3lyp_6-31+g(d).gjf (generated)

000650467.td-b3lyp_6-31+g(d).firefly.inp (generated)

000650467.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000650467.mol 000650467.PUBCHEM 000650467.mol (via Jmol)
000650468.b3lyp_6-31g(d).inp

000650468.b3lyp_6-31g(d).qchem.inp (generated)

000650468.b3lyp_6-31g(d).gjf (generated)

000650468.b3lyp_6-31g(d).firefly.inp (generated)

000650468.b3lyp_6-31g(d).smash.inp (generated)

000650468.b3lyp_6-31g(d).nwchem.inp (generated) 000650468.b3lyp_6-31g(d).log.xz 000650468.td-b3lyp_6-31g+(d).inp 000650468.td-b3lyp_6-31g+(d).log.xz

000650468.td-b3lyp_6-31+g(d).qchem.inp (generated)

000650468.td-b3lyp_6-31+g(d).gjf (generated)

000650468.td-b3lyp_6-31+g(d).firefly.inp (generated)

000650468.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000650468.mol 000650468.PUBCHEM 000650468.mol (via Jmol)
000650470.b3lyp_6-31g(d).inp

000650470.b3lyp_6-31g(d).qchem.inp (generated)

000650470.b3lyp_6-31g(d).gjf (generated)

000650470.b3lyp_6-31g(d).firefly.inp (generated)

000650470.b3lyp_6-31g(d).smash.inp (generated)

000650470.b3lyp_6-31g(d).nwchem.inp (generated) 000650470.b3lyp_6-31g(d).log.xz 000650470.mol 000650470.PUBCHEM 000650470.mol (via Jmol)
000650474.b3lyp_6-31g(d).inp

000650474.b3lyp_6-31g(d).qchem.inp (generated)

000650474.b3lyp_6-31g(d).gjf (generated)

000650474.b3lyp_6-31g(d).firefly.inp (generated)

000650474.b3lyp_6-31g(d).smash.inp (generated)

000650474.b3lyp_6-31g(d).nwchem.inp (generated) 000650474.b3lyp_6-31g(d).log.xz 000650474.td-b3lyp_6-31g+(d).inp 000650474.td-b3lyp_6-31g+(d).log.xz

000650474.td-b3lyp_6-31+g(d).qchem.inp (generated)

000650474.td-b3lyp_6-31+g(d).gjf (generated)

000650474.td-b3lyp_6-31+g(d).firefly.inp (generated)

000650474.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000650474.mol 000650474.PUBCHEM 000650474.mol (via Jmol)
000650496.b3lyp_6-31g(d).inp

000650496.b3lyp_6-31g(d).qchem.inp (generated)

000650496.b3lyp_6-31g(d).gjf (generated)

000650496.b3lyp_6-31g(d).firefly.inp (generated)

000650496.b3lyp_6-31g(d).smash.inp (generated)

000650496.b3lyp_6-31g(d).nwchem.inp (generated) 000650496.b3lyp_6-31g(d).log.xz 000650496.td-b3lyp_6-31g+(d).inp 000650496.td-b3lyp_6-31g+(d).log.xz

000650496.td-b3lyp_6-31+g(d).qchem.inp (generated)

000650496.td-b3lyp_6-31+g(d).gjf (generated)

000650496.td-b3lyp_6-31+g(d).firefly.inp (generated)

000650496.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000650496.mol 000650496.PUBCHEM 000650496.mol (via Jmol)
000650499.b3lyp_6-31g(d).inp

000650499.b3lyp_6-31g(d).qchem.inp (generated)

000650499.b3lyp_6-31g(d).gjf (generated)

000650499.b3lyp_6-31g(d).firefly.inp (generated)

000650499.b3lyp_6-31g(d).smash.inp (generated)

000650499.b3lyp_6-31g(d).nwchem.inp (generated) 000650499.b3lyp_6-31g(d).log.xz 000650499.td-b3lyp_6-31g+(d).inp 000650499.td-b3lyp_6-31g+(d).log.xz

000650499.td-b3lyp_6-31+g(d).qchem.inp (generated)

000650499.td-b3lyp_6-31+g(d).gjf (generated)

000650499.td-b3lyp_6-31+g(d).firefly.inp (generated)

000650499.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000650499.mol 000650499.PUBCHEM 000650499.mol (via Jmol)
000650510.b3lyp_6-31g(d).inp

000650510.b3lyp_6-31g(d).qchem.inp (generated)

000650510.b3lyp_6-31g(d).gjf (generated)

000650510.b3lyp_6-31g(d).firefly.inp (generated)

000650510.b3lyp_6-31g(d).smash.inp (generated)

000650510.b3lyp_6-31g(d).nwchem.inp (generated) 000650510.b3lyp_6-31g(d).log.xz 000650510.mol 000650510.PUBCHEM 000650510.mol (via Jmol)
000650511.b3lyp_6-31g(d).inp

000650511.b3lyp_6-31g(d).qchem.inp (generated)

000650511.b3lyp_6-31g(d).gjf (generated)

000650511.b3lyp_6-31g(d).firefly.inp (generated)

000650511.b3lyp_6-31g(d).smash.inp (generated)

000650511.b3lyp_6-31g(d).nwchem.inp (generated) 000650511.b3lyp_6-31g(d).log.xz 000650511.td-b3lyp_6-31g+(d).inp 000650511.td-b3lyp_6-31g+(d).log.xz

000650511.td-b3lyp_6-31+g(d).qchem.inp (generated)

000650511.td-b3lyp_6-31+g(d).gjf (generated)

000650511.td-b3lyp_6-31+g(d).firefly.inp (generated)

000650511.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000650511.mol 000650511.PUBCHEM 000650511.mol (via Jmol)
000650515.b3lyp_6-31g(d).inp

000650515.b3lyp_6-31g(d).qchem.inp (generated)

000650515.b3lyp_6-31g(d).gjf (generated)

000650515.b3lyp_6-31g(d).firefly.inp (generated)

000650515.b3lyp_6-31g(d).smash.inp (generated)

000650515.b3lyp_6-31g(d).nwchem.inp (generated) 000650515.b3lyp_6-31g(d).log.xz 000650515.td-b3lyp_6-31g+(d).inp 000650515.td-b3lyp_6-31g+(d).log.xz

000650515.td-b3lyp_6-31+g(d).qchem.inp (generated)

000650515.td-b3lyp_6-31+g(d).gjf (generated)

000650515.td-b3lyp_6-31+g(d).firefly.inp (generated)

000650515.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000650515.mol 000650515.PUBCHEM 000650515.mol (via Jmol)
000650521.b3lyp_6-31g(d).inp

000650521.b3lyp_6-31g(d).qchem.inp (generated)

000650521.b3lyp_6-31g(d).gjf (generated)

000650521.b3lyp_6-31g(d).firefly.inp (generated)

000650521.b3lyp_6-31g(d).smash.inp (generated)

000650521.b3lyp_6-31g(d).nwchem.inp (generated) 000650521.b3lyp_6-31g(d).log.xz 000650521.td-b3lyp_6-31g+(d).inp 000650521.td-b3lyp_6-31g+(d).log.xz

000650521.td-b3lyp_6-31+g(d).qchem.inp (generated)

000650521.td-b3lyp_6-31+g(d).gjf (generated)

000650521.td-b3lyp_6-31+g(d).firefly.inp (generated)

000650521.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000650521.mol 000650521.PUBCHEM 000650521.mol (via Jmol)
000650531.b3lyp_6-31g(d).inp

000650531.b3lyp_6-31g(d).qchem.inp (generated)

000650531.b3lyp_6-31g(d).gjf (generated)

000650531.b3lyp_6-31g(d).firefly.inp (generated)

000650531.b3lyp_6-31g(d).smash.inp (generated)

000650531.b3lyp_6-31g(d).nwchem.inp (generated) 000650531.b3lyp_6-31g(d).log.xz 000650531.td-b3lyp_6-31g+(d).inp 000650531.td-b3lyp_6-31g+(d).log.xz

000650531.td-b3lyp_6-31+g(d).qchem.inp (generated)

000650531.td-b3lyp_6-31+g(d).gjf (generated)

000650531.td-b3lyp_6-31+g(d).firefly.inp (generated)

000650531.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000650531.mol 000650531.PUBCHEM 000650531.mol (via Jmol)
000650539.b3lyp_6-31g(d).inp

000650539.b3lyp_6-31g(d).qchem.inp (generated)

000650539.b3lyp_6-31g(d).gjf (generated)

000650539.b3lyp_6-31g(d).firefly.inp (generated)

000650539.b3lyp_6-31g(d).smash.inp (generated)

000650539.b3lyp_6-31g(d).nwchem.inp (generated) 000650539.b3lyp_6-31g(d).log.xz 000650539.td-b3lyp_6-31g+(d).inp 000650539.td-b3lyp_6-31g+(d).log.xz

000650539.td-b3lyp_6-31+g(d).qchem.inp (generated)

000650539.td-b3lyp_6-31+g(d).gjf (generated)

000650539.td-b3lyp_6-31+g(d).firefly.inp (generated)

000650539.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000650539.mol 000650539.PUBCHEM 000650539.mol (via Jmol)
000650563.b3lyp_6-31g(d).inp

000650563.b3lyp_6-31g(d).qchem.inp (generated)

000650563.b3lyp_6-31g(d).gjf (generated)

000650563.b3lyp_6-31g(d).firefly.inp (generated)

000650563.b3lyp_6-31g(d).smash.inp (generated)

000650563.b3lyp_6-31g(d).nwchem.inp (generated) 000650563.b3lyp_6-31g(d).log.xz 000650563.td-b3lyp_6-31g+(d).inp 000650563.td-b3lyp_6-31g+(d).log.xz

000650563.td-b3lyp_6-31+g(d).qchem.inp (generated)

000650563.td-b3lyp_6-31+g(d).gjf (generated)

000650563.td-b3lyp_6-31+g(d).firefly.inp (generated)

000650563.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000650563.mol 000650563.PUBCHEM 000650563.mol (via Jmol)
000650642.b3lyp_6-31g(d).inp

000650642.b3lyp_6-31g(d).qchem.inp (generated)

000650642.b3lyp_6-31g(d).gjf (generated)

000650642.b3lyp_6-31g(d).firefly.inp (generated)

000650642.b3lyp_6-31g(d).smash.inp (generated)

000650642.b3lyp_6-31g(d).nwchem.inp (generated) 000650642.b3lyp_6-31g(d).log.xz 000650642.td-b3lyp_6-31g+(d).inp 000650642.td-b3lyp_6-31g+(d).log.xz

000650642.td-b3lyp_6-31+g(d).qchem.inp (generated)

000650642.td-b3lyp_6-31+g(d).gjf (generated)

000650642.td-b3lyp_6-31+g(d).firefly.inp (generated)

000650642.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000650642.mol 000650642.PUBCHEM 000650642.mol (via Jmol)
000650653.b3lyp_6-31g(d).inp

000650653.b3lyp_6-31g(d).qchem.inp (generated)

000650653.b3lyp_6-31g(d).gjf (generated)

000650653.b3lyp_6-31g(d).firefly.inp (generated)

000650653.b3lyp_6-31g(d).smash.inp (generated)

000650653.b3lyp_6-31g(d).nwchem.inp (generated) 000650653.b3lyp_6-31g(d).log.xz 000650653.td-b3lyp_6-31g+(d).inp 000650653.td-b3lyp_6-31g+(d).log.xz

000650653.td-b3lyp_6-31+g(d).qchem.inp (generated)

000650653.td-b3lyp_6-31+g(d).gjf (generated)

000650653.td-b3lyp_6-31+g(d).firefly.inp (generated)

000650653.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000650653.mol 000650653.PUBCHEM 000650653.mol (via Jmol)
000650665.b3lyp_6-31g(d).inp

000650665.b3lyp_6-31g(d).qchem.inp (generated)

000650665.b3lyp_6-31g(d).gjf (generated)

000650665.b3lyp_6-31g(d).firefly.inp (generated)

000650665.b3lyp_6-31g(d).smash.inp (generated)

000650665.b3lyp_6-31g(d).nwchem.inp (generated) 000650665.b3lyp_6-31g(d).log.xz 000650665.td-b3lyp_6-31g+(d).inp 000650665.td-b3lyp_6-31g+(d).log.xz

000650665.td-b3lyp_6-31+g(d).qchem.inp (generated)

000650665.td-b3lyp_6-31+g(d).gjf (generated)

000650665.td-b3lyp_6-31+g(d).firefly.inp (generated)

000650665.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000650665.mol 000650665.PUBCHEM 000650665.mol (via Jmol)
000650697.b3lyp_6-31g(d).inp

000650697.b3lyp_6-31g(d).qchem.inp (generated)

000650697.b3lyp_6-31g(d).gjf (generated)

000650697.b3lyp_6-31g(d).firefly.inp (generated)

000650697.b3lyp_6-31g(d).smash.inp (generated)

000650697.b3lyp_6-31g(d).nwchem.inp (generated) 000650697.b3lyp_6-31g(d).log.xz 000650697.td-b3lyp_6-31g+(d).inp 000650697.td-b3lyp_6-31g+(d).log.xz

000650697.td-b3lyp_6-31+g(d).qchem.inp (generated)

000650697.td-b3lyp_6-31+g(d).gjf (generated)

000650697.td-b3lyp_6-31+g(d).firefly.inp (generated)

000650697.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000650697.mol 000650697.PUBCHEM 000650697.mol (via Jmol)
000650706.b3lyp_6-31g(d).inp

000650706.b3lyp_6-31g(d).qchem.inp (generated)

000650706.b3lyp_6-31g(d).gjf (generated)

000650706.b3lyp_6-31g(d).firefly.inp (generated)

000650706.b3lyp_6-31g(d).smash.inp (generated)

000650706.b3lyp_6-31g(d).nwchem.inp (generated) 000650706.b3lyp_6-31g(d).log.xz 000650706.td-b3lyp_6-31g+(d).inp 000650706.td-b3lyp_6-31g+(d).log.xz

000650706.td-b3lyp_6-31+g(d).qchem.inp (generated)

000650706.td-b3lyp_6-31+g(d).gjf (generated)

000650706.td-b3lyp_6-31+g(d).firefly.inp (generated)

000650706.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000650706.mol 000650706.PUBCHEM 000650706.mol (via Jmol)
000650726.b3lyp_6-31g(d).inp

000650726.b3lyp_6-31g(d).qchem.inp (generated)

000650726.b3lyp_6-31g(d).gjf (generated)

000650726.b3lyp_6-31g(d).firefly.inp (generated)

000650726.b3lyp_6-31g(d).smash.inp (generated)

000650726.b3lyp_6-31g(d).nwchem.inp (generated) 000650726.b3lyp_6-31g(d).log.xz 000650726.td-b3lyp_6-31g+(d).inp 000650726.td-b3lyp_6-31g+(d).log.xz

000650726.td-b3lyp_6-31+g(d).qchem.inp (generated)

000650726.td-b3lyp_6-31+g(d).gjf (generated)

000650726.td-b3lyp_6-31+g(d).firefly.inp (generated)

000650726.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000650726.mol 000650726.PUBCHEM 000650726.mol (via Jmol)
000650754.b3lyp_6-31g(d).inp

000650754.b3lyp_6-31g(d).qchem.inp (generated)

000650754.b3lyp_6-31g(d).gjf (generated)

000650754.b3lyp_6-31g(d).firefly.inp (generated)

000650754.b3lyp_6-31g(d).smash.inp (generated)

000650754.b3lyp_6-31g(d).nwchem.inp (generated) 000650754.b3lyp_6-31g(d).log.xz 000650754.td-b3lyp_6-31g+(d).inp 000650754.td-b3lyp_6-31g+(d).log.xz

000650754.td-b3lyp_6-31+g(d).qchem.inp (generated)

000650754.td-b3lyp_6-31+g(d).gjf (generated)

000650754.td-b3lyp_6-31+g(d).firefly.inp (generated)

000650754.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000650754.mol 000650754.PUBCHEM 000650754.mol (via Jmol)
000650781.b3lyp_6-31g(d).inp

000650781.b3lyp_6-31g(d).qchem.inp (generated)

000650781.b3lyp_6-31g(d).gjf (generated)

000650781.b3lyp_6-31g(d).firefly.inp (generated)

000650781.b3lyp_6-31g(d).smash.inp (generated)

000650781.b3lyp_6-31g(d).nwchem.inp (generated) 000650781.b3lyp_6-31g(d).log.xz 000650781.td-b3lyp_6-31g+(d).inp 000650781.td-b3lyp_6-31g+(d).log.xz

000650781.td-b3lyp_6-31+g(d).qchem.inp (generated)

000650781.td-b3lyp_6-31+g(d).gjf (generated)

000650781.td-b3lyp_6-31+g(d).firefly.inp (generated)

000650781.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000650781.mol 000650781.PUBCHEM 000650781.mol (via Jmol)
000650789.b3lyp_6-31g(d).inp

000650789.b3lyp_6-31g(d).qchem.inp (generated)

000650789.b3lyp_6-31g(d).gjf (generated)

000650789.b3lyp_6-31g(d).firefly.inp (generated)

000650789.b3lyp_6-31g(d).smash.inp (generated)

000650789.b3lyp_6-31g(d).nwchem.inp (generated) 000650789.b3lyp_6-31g(d).log.xz 000650789.td-b3lyp_6-31g+(d).inp 000650789.td-b3lyp_6-31g+(d).log.xz

000650789.td-b3lyp_6-31+g(d).qchem.inp (generated)

000650789.td-b3lyp_6-31+g(d).gjf (generated)

000650789.td-b3lyp_6-31+g(d).firefly.inp (generated)

000650789.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000650789.mol 000650789.PUBCHEM 000650789.mol (via Jmol)
000650791.b3lyp_6-31g(d).inp

000650791.b3lyp_6-31g(d).qchem.inp (generated)

000650791.b3lyp_6-31g(d).gjf (generated)

000650791.b3lyp_6-31g(d).firefly.inp (generated)

000650791.b3lyp_6-31g(d).smash.inp (generated)

000650791.b3lyp_6-31g(d).nwchem.inp (generated) 000650791.b3lyp_6-31g(d).log.xz 000650791.td-b3lyp_6-31g+(d).inp 000650791.td-b3lyp_6-31g+(d).log.xz

000650791.td-b3lyp_6-31+g(d).qchem.inp (generated)

000650791.td-b3lyp_6-31+g(d).gjf (generated)

000650791.td-b3lyp_6-31+g(d).firefly.inp (generated)

000650791.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000650791.mol 000650791.PUBCHEM 000650791.mol (via Jmol)
000650797.b3lyp_6-31g(d).inp

000650797.b3lyp_6-31g(d).qchem.inp (generated)

000650797.b3lyp_6-31g(d).gjf (generated)

000650797.b3lyp_6-31g(d).firefly.inp (generated)

000650797.b3lyp_6-31g(d).smash.inp (generated)

000650797.b3lyp_6-31g(d).nwchem.inp (generated) 000650797.b3lyp_6-31g(d).log.xz 000650797.td-b3lyp_6-31g+(d).inp 000650797.td-b3lyp_6-31g+(d).log.xz

000650797.td-b3lyp_6-31+g(d).qchem.inp (generated)

000650797.td-b3lyp_6-31+g(d).gjf (generated)

000650797.td-b3lyp_6-31+g(d).firefly.inp (generated)

000650797.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000650797.mol 000650797.PUBCHEM 000650797.mol (via Jmol)
000650805.b3lyp_6-31g(d).inp

000650805.b3lyp_6-31g(d).qchem.inp (generated)

000650805.b3lyp_6-31g(d).gjf (generated)

000650805.b3lyp_6-31g(d).firefly.inp (generated)

000650805.b3lyp_6-31g(d).smash.inp (generated)

000650805.b3lyp_6-31g(d).nwchem.inp (generated) 000650805.b3lyp_6-31g(d).log.xz 000650805.td-b3lyp_6-31g+(d).inp 000650805.td-b3lyp_6-31g+(d).log.xz

000650805.td-b3lyp_6-31+g(d).qchem.inp (generated)

000650805.td-b3lyp_6-31+g(d).gjf (generated)

000650805.td-b3lyp_6-31+g(d).firefly.inp (generated)

000650805.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000650805.mol 000650805.PUBCHEM 000650805.mol (via Jmol)
000650806.b3lyp_6-31g(d).inp

000650806.b3lyp_6-31g(d).qchem.inp (generated)

000650806.b3lyp_6-31g(d).gjf (generated)

000650806.b3lyp_6-31g(d).firefly.inp (generated)

000650806.b3lyp_6-31g(d).smash.inp (generated)

000650806.b3lyp_6-31g(d).nwchem.inp (generated) 000650806.b3lyp_6-31g(d).log.xz 000650806.td-b3lyp_6-31g+(d).inp 000650806.td-b3lyp_6-31g+(d).log.xz

000650806.td-b3lyp_6-31+g(d).qchem.inp (generated)

000650806.td-b3lyp_6-31+g(d).gjf (generated)

000650806.td-b3lyp_6-31+g(d).firefly.inp (generated)

000650806.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000650806.mol 000650806.PUBCHEM 000650806.mol (via Jmol)
000650823.b3lyp_6-31g(d).inp

000650823.b3lyp_6-31g(d).qchem.inp (generated)

000650823.b3lyp_6-31g(d).gjf (generated)

000650823.b3lyp_6-31g(d).firefly.inp (generated)

000650823.b3lyp_6-31g(d).smash.inp (generated)

000650823.b3lyp_6-31g(d).nwchem.inp (generated) 000650823.b3lyp_6-31g(d).log.xz 000650823.td-b3lyp_6-31g+(d).inp 000650823.td-b3lyp_6-31g+(d).log.xz

000650823.td-b3lyp_6-31+g(d).qchem.inp (generated)

000650823.td-b3lyp_6-31+g(d).gjf (generated)

000650823.td-b3lyp_6-31+g(d).firefly.inp (generated)

000650823.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000650823.mol 000650823.PUBCHEM 000650823.mol (via Jmol)
000650827.b3lyp_6-31g(d).inp

000650827.b3lyp_6-31g(d).qchem.inp (generated)

000650827.b3lyp_6-31g(d).gjf (generated)

000650827.b3lyp_6-31g(d).firefly.inp (generated)

000650827.b3lyp_6-31g(d).smash.inp (generated)

000650827.b3lyp_6-31g(d).nwchem.inp (generated) 000650827.b3lyp_6-31g(d).log.xz 000650827.td-b3lyp_6-31g+(d).inp 000650827.td-b3lyp_6-31g+(d).log.xz

000650827.td-b3lyp_6-31+g(d).qchem.inp (generated)

000650827.td-b3lyp_6-31+g(d).gjf (generated)

000650827.td-b3lyp_6-31+g(d).firefly.inp (generated)

000650827.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000650827.mol 000650827.PUBCHEM 000650827.mol (via Jmol)
000650834.b3lyp_6-31g(d).inp

000650834.b3lyp_6-31g(d).qchem.inp (generated)

000650834.b3lyp_6-31g(d).gjf (generated)

000650834.b3lyp_6-31g(d).firefly.inp (generated)

000650834.b3lyp_6-31g(d).smash.inp (generated)

000650834.b3lyp_6-31g(d).nwchem.inp (generated) 000650834.b3lyp_6-31g(d).log.xz 000650834.td-b3lyp_6-31g+(d).inp 000650834.td-b3lyp_6-31g+(d).log.xz

000650834.td-b3lyp_6-31+g(d).qchem.inp (generated)

000650834.td-b3lyp_6-31+g(d).gjf (generated)

000650834.td-b3lyp_6-31+g(d).firefly.inp (generated)

000650834.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000650834.mol 000650834.PUBCHEM 000650834.mol (via Jmol)
000650848.b3lyp_6-31g(d).inp

000650848.b3lyp_6-31g(d).qchem.inp (generated)

000650848.b3lyp_6-31g(d).gjf (generated)

000650848.b3lyp_6-31g(d).firefly.inp (generated)

000650848.b3lyp_6-31g(d).smash.inp (generated)

000650848.b3lyp_6-31g(d).nwchem.inp (generated) 000650848.b3lyp_6-31g(d).log.xz 000650848.td-b3lyp_6-31g+(d).inp 000650848.td-b3lyp_6-31g+(d).log.xz

000650848.td-b3lyp_6-31+g(d).qchem.inp (generated)

000650848.td-b3lyp_6-31+g(d).gjf (generated)

000650848.td-b3lyp_6-31+g(d).firefly.inp (generated)

000650848.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000650848.mol 000650848.PUBCHEM 000650848.mol (via Jmol)
000650874.b3lyp_6-31g(d).inp

000650874.b3lyp_6-31g(d).qchem.inp (generated)

000650874.b3lyp_6-31g(d).gjf (generated)

000650874.b3lyp_6-31g(d).firefly.inp (generated)

000650874.b3lyp_6-31g(d).smash.inp (generated)

000650874.b3lyp_6-31g(d).nwchem.inp (generated) 000650874.b3lyp_6-31g(d).log.xz 000650874.mol 000650874.PUBCHEM 000650874.mol (via Jmol)
000650896.b3lyp_6-31g(d).inp

000650896.b3lyp_6-31g(d).qchem.inp (generated)

000650896.b3lyp_6-31g(d).gjf (generated)

000650896.b3lyp_6-31g(d).firefly.inp (generated)

000650896.b3lyp_6-31g(d).smash.inp (generated)

000650896.b3lyp_6-31g(d).nwchem.inp (generated) 000650896.b3lyp_6-31g(d).log.xz 000650896.td-b3lyp_6-31g+(d).inp 000650896.td-b3lyp_6-31g+(d).log.xz

000650896.td-b3lyp_6-31+g(d).qchem.inp (generated)

000650896.td-b3lyp_6-31+g(d).gjf (generated)

000650896.td-b3lyp_6-31+g(d).firefly.inp (generated)

000650896.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000650896.mol 000650896.PUBCHEM 000650896.mol (via Jmol)
000650991.b3lyp_6-31g(d).inp

000650991.b3lyp_6-31g(d).qchem.inp (generated)

000650991.b3lyp_6-31g(d).gjf (generated)

000650991.b3lyp_6-31g(d).firefly.inp (generated)

000650991.b3lyp_6-31g(d).smash.inp (generated)

000650991.b3lyp_6-31g(d).nwchem.inp (generated) 000650991.b3lyp_6-31g(d).log.xz 000650991.td-b3lyp_6-31g+(d).inp 000650991.td-b3lyp_6-31g+(d).log.xz

000650991.td-b3lyp_6-31+g(d).qchem.inp (generated)

000650991.td-b3lyp_6-31+g(d).gjf (generated)

000650991.td-b3lyp_6-31+g(d).firefly.inp (generated)

000650991.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000650991.mol 000650991.PUBCHEM 000650991.mol (via Jmol)
000651053.b3lyp_6-31g(d).inp

000651053.b3lyp_6-31g(d).qchem.inp (generated)

000651053.b3lyp_6-31g(d).gjf (generated)

000651053.b3lyp_6-31g(d).firefly.inp (generated)

000651053.b3lyp_6-31g(d).smash.inp (generated)

000651053.b3lyp_6-31g(d).nwchem.inp (generated) 000651053.b3lyp_6-31g(d).log.xz 000651053.td-b3lyp_6-31g+(d).inp 000651053.td-b3lyp_6-31g+(d).log.xz

000651053.td-b3lyp_6-31+g(d).qchem.inp (generated)

000651053.td-b3lyp_6-31+g(d).gjf (generated)

000651053.td-b3lyp_6-31+g(d).firefly.inp (generated)

000651053.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000651053.mol 000651053.PUBCHEM 000651053.mol (via Jmol)
000651055.b3lyp_6-31g(d).inp

000651055.b3lyp_6-31g(d).qchem.inp (generated)

000651055.b3lyp_6-31g(d).gjf (generated)

000651055.b3lyp_6-31g(d).firefly.inp (generated)

000651055.b3lyp_6-31g(d).smash.inp (generated)

000651055.b3lyp_6-31g(d).nwchem.inp (generated) 000651055.b3lyp_6-31g(d).log.xz 000651055.td-b3lyp_6-31g+(d).inp 000651055.td-b3lyp_6-31g+(d).log.xz

000651055.td-b3lyp_6-31+g(d).qchem.inp (generated)

000651055.td-b3lyp_6-31+g(d).gjf (generated)

000651055.td-b3lyp_6-31+g(d).firefly.inp (generated)

000651055.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000651055.mol 000651055.PUBCHEM 000651055.mol (via Jmol)
000651128.b3lyp_6-31g(d).inp

000651128.b3lyp_6-31g(d).qchem.inp (generated)

000651128.b3lyp_6-31g(d).gjf (generated)

000651128.b3lyp_6-31g(d).firefly.inp (generated)

000651128.b3lyp_6-31g(d).smash.inp (generated)

000651128.b3lyp_6-31g(d).nwchem.inp (generated) 000651128.b3lyp_6-31g(d).log.xz 000651128.td-b3lyp_6-31g+(d).inp 000651128.td-b3lyp_6-31g+(d).log.xz

000651128.td-b3lyp_6-31+g(d).qchem.inp (generated)

000651128.td-b3lyp_6-31+g(d).gjf (generated)

000651128.td-b3lyp_6-31+g(d).firefly.inp (generated)

000651128.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000651128.mol 000651128.PUBCHEM 000651128.mol (via Jmol)
000651148.b3lyp_6-31g(d).inp

000651148.b3lyp_6-31g(d).qchem.inp (generated)

000651148.b3lyp_6-31g(d).gjf (generated)

000651148.b3lyp_6-31g(d).firefly.inp (generated)

000651148.b3lyp_6-31g(d).smash.inp (generated)

000651148.b3lyp_6-31g(d).nwchem.inp (generated) 000651148.b3lyp_6-31g(d).log.xz 000651148.mol 000651148.PUBCHEM 000651148.mol (via Jmol)
000651166.b3lyp_6-31g(d).inp

000651166.b3lyp_6-31g(d).qchem.inp (generated)

000651166.b3lyp_6-31g(d).gjf (generated)

000651166.b3lyp_6-31g(d).firefly.inp (generated)

000651166.b3lyp_6-31g(d).smash.inp (generated)

000651166.b3lyp_6-31g(d).nwchem.inp (generated) 000651166.b3lyp_6-31g(d).log.xz 000651166.td-b3lyp_6-31g+(d).inp 000651166.td-b3lyp_6-31g+(d).log.xz

000651166.td-b3lyp_6-31+g(d).qchem.inp (generated)

000651166.td-b3lyp_6-31+g(d).gjf (generated)

000651166.td-b3lyp_6-31+g(d).firefly.inp (generated)

000651166.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000651166.mol 000651166.PUBCHEM 000651166.mol (via Jmol)
000651205.b3lyp_6-31g(d).inp

000651205.b3lyp_6-31g(d).qchem.inp (generated)

000651205.b3lyp_6-31g(d).gjf (generated)

000651205.b3lyp_6-31g(d).firefly.inp (generated)

000651205.b3lyp_6-31g(d).smash.inp (generated)

000651205.b3lyp_6-31g(d).nwchem.inp (generated) 000651205.b3lyp_6-31g(d).log.xz 000651205.td-b3lyp_6-31g+(d).inp 000651205.td-b3lyp_6-31g+(d).log.xz

000651205.td-b3lyp_6-31+g(d).qchem.inp (generated)

000651205.td-b3lyp_6-31+g(d).gjf (generated)

000651205.td-b3lyp_6-31+g(d).firefly.inp (generated)

000651205.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000651205.mol 000651205.PUBCHEM 000651205.mol (via Jmol)
000651208.b3lyp_6-31g(d).inp

000651208.b3lyp_6-31g(d).qchem.inp (generated)

000651208.b3lyp_6-31g(d).gjf (generated)

000651208.b3lyp_6-31g(d).firefly.inp (generated)

000651208.b3lyp_6-31g(d).smash.inp (generated)

000651208.b3lyp_6-31g(d).nwchem.inp (generated) 000651208.b3lyp_6-31g(d).log.xz 000651208.td-b3lyp_6-31g+(d).inp 000651208.td-b3lyp_6-31g+(d).log.xz

000651208.td-b3lyp_6-31+g(d).qchem.inp (generated)

000651208.td-b3lyp_6-31+g(d).gjf (generated)

000651208.td-b3lyp_6-31+g(d).firefly.inp (generated)

000651208.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000651208.mol 000651208.PUBCHEM 000651208.mol (via Jmol)
000651214.b3lyp_6-31g(d).inp

000651214.b3lyp_6-31g(d).qchem.inp (generated)

000651214.b3lyp_6-31g(d).gjf (generated)

000651214.b3lyp_6-31g(d).firefly.inp (generated)

000651214.b3lyp_6-31g(d).smash.inp (generated)

000651214.b3lyp_6-31g(d).nwchem.inp (generated) 000651214.b3lyp_6-31g(d).log.xz 000651214.td-b3lyp_6-31g+(d).inp 000651214.td-b3lyp_6-31g+(d).log.xz

000651214.td-b3lyp_6-31+g(d).qchem.inp (generated)

000651214.td-b3lyp_6-31+g(d).gjf (generated)

000651214.td-b3lyp_6-31+g(d).firefly.inp (generated)

000651214.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000651214.mol 000651214.PUBCHEM 000651214.mol (via Jmol)
000651228.b3lyp_6-31g(d).inp

000651228.b3lyp_6-31g(d).qchem.inp (generated)

000651228.b3lyp_6-31g(d).gjf (generated)

000651228.b3lyp_6-31g(d).firefly.inp (generated)

000651228.b3lyp_6-31g(d).smash.inp (generated)

000651228.b3lyp_6-31g(d).nwchem.inp (generated) 000651228.b3lyp_6-31g(d).log.xz 000651228.td-b3lyp_6-31g+(d).inp 000651228.td-b3lyp_6-31g+(d).log.xz

000651228.td-b3lyp_6-31+g(d).qchem.inp (generated)

000651228.td-b3lyp_6-31+g(d).gjf (generated)

000651228.td-b3lyp_6-31+g(d).firefly.inp (generated)

000651228.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000651228.mol 000651228.PUBCHEM 000651228.mol (via Jmol)
000651230.b3lyp_6-31g(d).inp

000651230.b3lyp_6-31g(d).qchem.inp (generated)

000651230.b3lyp_6-31g(d).gjf (generated)

000651230.b3lyp_6-31g(d).firefly.inp (generated)

000651230.b3lyp_6-31g(d).smash.inp (generated)

000651230.b3lyp_6-31g(d).nwchem.inp (generated) 000651230.b3lyp_6-31g(d).log.xz 000651230.td-b3lyp_6-31g+(d).inp 000651230.td-b3lyp_6-31g+(d).log.xz

000651230.td-b3lyp_6-31+g(d).qchem.inp (generated)

000651230.td-b3lyp_6-31+g(d).gjf (generated)

000651230.td-b3lyp_6-31+g(d).firefly.inp (generated)

000651230.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000651230.mol 000651230.PUBCHEM 000651230.mol (via Jmol)
000651282.b3lyp_6-31g(d).inp

000651282.b3lyp_6-31g(d).qchem.inp (generated)

000651282.b3lyp_6-31g(d).gjf (generated)

000651282.b3lyp_6-31g(d).firefly.inp (generated)

000651282.b3lyp_6-31g(d).smash.inp (generated)

000651282.b3lyp_6-31g(d).nwchem.inp (generated) 000651282.b3lyp_6-31g(d).log.xz 000651282.td-b3lyp_6-31g+(d).inp 000651282.td-b3lyp_6-31g+(d).log.xz

000651282.td-b3lyp_6-31+g(d).qchem.inp (generated)

000651282.td-b3lyp_6-31+g(d).gjf (generated)

000651282.td-b3lyp_6-31+g(d).firefly.inp (generated)

000651282.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000651282.mol 000651282.PUBCHEM 000651282.mol (via Jmol)
000651285.b3lyp_6-31g(d).inp

000651285.b3lyp_6-31g(d).qchem.inp (generated)

000651285.b3lyp_6-31g(d).gjf (generated)

000651285.b3lyp_6-31g(d).firefly.inp (generated)

000651285.b3lyp_6-31g(d).smash.inp (generated)

000651285.b3lyp_6-31g(d).nwchem.inp (generated) 000651285.b3lyp_6-31g(d).log.xz 000651285.mol 000651285.PUBCHEM 000651285.mol (via Jmol)
000651302.b3lyp_6-31g(d).inp

000651302.b3lyp_6-31g(d).qchem.inp (generated)

000651302.b3lyp_6-31g(d).gjf (generated)

000651302.b3lyp_6-31g(d).firefly.inp (generated)

000651302.b3lyp_6-31g(d).smash.inp (generated)

000651302.b3lyp_6-31g(d).nwchem.inp (generated) 000651302.b3lyp_6-31g(d).log.xz 000651302.td-b3lyp_6-31g+(d).inp 000651302.td-b3lyp_6-31g+(d).log.xz

000651302.td-b3lyp_6-31+g(d).qchem.inp (generated)

000651302.td-b3lyp_6-31+g(d).gjf (generated)

000651302.td-b3lyp_6-31+g(d).firefly.inp (generated)

000651302.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000651302.mol 000651302.PUBCHEM 000651302.mol (via Jmol)
000651308.b3lyp_6-31g(d).inp

000651308.b3lyp_6-31g(d).qchem.inp (generated)

000651308.b3lyp_6-31g(d).gjf (generated)

000651308.b3lyp_6-31g(d).firefly.inp (generated)

000651308.b3lyp_6-31g(d).smash.inp (generated)

000651308.b3lyp_6-31g(d).nwchem.inp (generated) 000651308.b3lyp_6-31g(d).log.xz 000651308.td-b3lyp_6-31g+(d).inp 000651308.td-b3lyp_6-31g+(d).log.xz

000651308.td-b3lyp_6-31+g(d).qchem.inp (generated)

000651308.td-b3lyp_6-31+g(d).gjf (generated)

000651308.td-b3lyp_6-31+g(d).firefly.inp (generated)

000651308.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000651308.mol 000651308.PUBCHEM 000651308.mol (via Jmol)
000651355.b3lyp_6-31g(d).inp

000651355.b3lyp_6-31g(d).qchem.inp (generated)

000651355.b3lyp_6-31g(d).gjf (generated)

000651355.b3lyp_6-31g(d).firefly.inp (generated)

000651355.b3lyp_6-31g(d).smash.inp (generated)

000651355.b3lyp_6-31g(d).nwchem.inp (generated) 000651355.b3lyp_6-31g(d).log.xz 000651355.td-b3lyp_6-31g+(d).inp 000651355.td-b3lyp_6-31g+(d).log.xz

000651355.td-b3lyp_6-31+g(d).qchem.inp (generated)

000651355.td-b3lyp_6-31+g(d).gjf (generated)

000651355.td-b3lyp_6-31+g(d).firefly.inp (generated)

000651355.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000651355.mol 000651355.PUBCHEM 000651355.mol (via Jmol)
000651388.b3lyp_6-31g(d).inp

000651388.b3lyp_6-31g(d).qchem.inp (generated)

000651388.b3lyp_6-31g(d).gjf (generated)

000651388.b3lyp_6-31g(d).firefly.inp (generated)

000651388.b3lyp_6-31g(d).smash.inp (generated)

000651388.b3lyp_6-31g(d).nwchem.inp (generated) 000651388.b3lyp_6-31g(d).log.xz 000651388.td-b3lyp_6-31g+(d).inp 000651388.td-b3lyp_6-31g+(d).log.xz

000651388.td-b3lyp_6-31+g(d).qchem.inp (generated)

000651388.td-b3lyp_6-31+g(d).gjf (generated)

000651388.td-b3lyp_6-31+g(d).firefly.inp (generated)

000651388.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000651388.mol 000651388.PUBCHEM 000651388.mol (via Jmol)
000651391.b3lyp_6-31g(d).inp

000651391.b3lyp_6-31g(d).qchem.inp (generated)

000651391.b3lyp_6-31g(d).gjf (generated)

000651391.b3lyp_6-31g(d).firefly.inp (generated)

000651391.b3lyp_6-31g(d).smash.inp (generated)

000651391.b3lyp_6-31g(d).nwchem.inp (generated) 000651391.b3lyp_6-31g(d).log.xz 000651391.mol 000651391.PUBCHEM 000651391.mol (via Jmol)
000651410.b3lyp_6-31g(d).inp

000651410.b3lyp_6-31g(d).qchem.inp (generated)

000651410.b3lyp_6-31g(d).gjf (generated)

000651410.b3lyp_6-31g(d).firefly.inp (generated)

000651410.b3lyp_6-31g(d).smash.inp (generated)

000651410.b3lyp_6-31g(d).nwchem.inp (generated) 000651410.b3lyp_6-31g(d).log.xz 000651410.td-b3lyp_6-31g+(d).inp 000651410.td-b3lyp_6-31g+(d).log.xz

000651410.td-b3lyp_6-31+g(d).qchem.inp (generated)

000651410.td-b3lyp_6-31+g(d).gjf (generated)

000651410.td-b3lyp_6-31+g(d).firefly.inp (generated)

000651410.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000651410.mol 000651410.PUBCHEM 000651410.mol (via Jmol)
000651423.b3lyp_6-31g(d).inp

000651423.b3lyp_6-31g(d).qchem.inp (generated)

000651423.b3lyp_6-31g(d).gjf (generated)

000651423.b3lyp_6-31g(d).firefly.inp (generated)

000651423.b3lyp_6-31g(d).smash.inp (generated)

000651423.b3lyp_6-31g(d).nwchem.inp (generated) 000651423.b3lyp_6-31g(d).log.xz 000651423.td-b3lyp_6-31g+(d).inp 000651423.td-b3lyp_6-31g+(d).log.xz

000651423.td-b3lyp_6-31+g(d).qchem.inp (generated)

000651423.td-b3lyp_6-31+g(d).gjf (generated)

000651423.td-b3lyp_6-31+g(d).firefly.inp (generated)

000651423.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000651423.mol 000651423.PUBCHEM 000651423.mol (via Jmol)
000651466.b3lyp_6-31g(d).inp

000651466.b3lyp_6-31g(d).qchem.inp (generated)

000651466.b3lyp_6-31g(d).gjf (generated)

000651466.b3lyp_6-31g(d).firefly.inp (generated)

000651466.b3lyp_6-31g(d).smash.inp (generated)

000651466.b3lyp_6-31g(d).nwchem.inp (generated) 000651466.b3lyp_6-31g(d).log.xz 000651466.mol 000651466.PUBCHEM 000651466.mol (via Jmol)
000651475.b3lyp_6-31g(d).inp

000651475.b3lyp_6-31g(d).qchem.inp (generated)

000651475.b3lyp_6-31g(d).gjf (generated)

000651475.b3lyp_6-31g(d).firefly.inp (generated)

000651475.b3lyp_6-31g(d).smash.inp (generated)

000651475.b3lyp_6-31g(d).nwchem.inp (generated) 000651475.b3lyp_6-31g(d).log.xz 000651475.mol 000651475.PUBCHEM 000651475.mol (via Jmol)
000651501.b3lyp_6-31g(d).inp

000651501.b3lyp_6-31g(d).qchem.inp (generated)

000651501.b3lyp_6-31g(d).gjf (generated)

000651501.b3lyp_6-31g(d).firefly.inp (generated)

000651501.b3lyp_6-31g(d).smash.inp (generated)

000651501.b3lyp_6-31g(d).nwchem.inp (generated) 000651501.b3lyp_6-31g(d).log.xz 000651501.td-b3lyp_6-31g+(d).inp 000651501.td-b3lyp_6-31g+(d).log.xz

000651501.td-b3lyp_6-31+g(d).qchem.inp (generated)

000651501.td-b3lyp_6-31+g(d).gjf (generated)

000651501.td-b3lyp_6-31+g(d).firefly.inp (generated)

000651501.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000651501.mol 000651501.PUBCHEM 000651501.mol (via Jmol)
000651502.b3lyp_6-31g(d).inp

000651502.b3lyp_6-31g(d).qchem.inp (generated)

000651502.b3lyp_6-31g(d).gjf (generated)

000651502.b3lyp_6-31g(d).firefly.inp (generated)

000651502.b3lyp_6-31g(d).smash.inp (generated)

000651502.b3lyp_6-31g(d).nwchem.inp (generated) 000651502.b3lyp_6-31g(d).log.xz 000651502.td-b3lyp_6-31g+(d).inp 000651502.td-b3lyp_6-31g+(d).log.xz

000651502.td-b3lyp_6-31+g(d).qchem.inp (generated)

000651502.td-b3lyp_6-31+g(d).gjf (generated)

000651502.td-b3lyp_6-31+g(d).firefly.inp (generated)

000651502.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000651502.mol 000651502.PUBCHEM 000651502.mol (via Jmol)
000651512.b3lyp_6-31g(d).inp

000651512.b3lyp_6-31g(d).qchem.inp (generated)

000651512.b3lyp_6-31g(d).gjf (generated)

000651512.b3lyp_6-31g(d).firefly.inp (generated)

000651512.b3lyp_6-31g(d).smash.inp (generated)

000651512.b3lyp_6-31g(d).nwchem.inp (generated) 000651512.b3lyp_6-31g(d).log.xz 000651512.mol 000651512.PUBCHEM 000651512.mol (via Jmol)
000651547.b3lyp_6-31g(d).inp

000651547.b3lyp_6-31g(d).qchem.inp (generated)

000651547.b3lyp_6-31g(d).gjf (generated)

000651547.b3lyp_6-31g(d).firefly.inp (generated)

000651547.b3lyp_6-31g(d).smash.inp (generated)

000651547.b3lyp_6-31g(d).nwchem.inp (generated) 000651547.b3lyp_6-31g(d).log.xz 000651547.td-b3lyp_6-31g+(d).inp 000651547.td-b3lyp_6-31g+(d).log.xz

000651547.td-b3lyp_6-31+g(d).qchem.inp (generated)

000651547.td-b3lyp_6-31+g(d).gjf (generated)

000651547.td-b3lyp_6-31+g(d).firefly.inp (generated)

000651547.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000651547.mol 000651547.PUBCHEM 000651547.mol (via Jmol)
000651580.b3lyp_6-31g(d).inp

000651580.b3lyp_6-31g(d).qchem.inp (generated)

000651580.b3lyp_6-31g(d).gjf (generated)

000651580.b3lyp_6-31g(d).firefly.inp (generated)

000651580.b3lyp_6-31g(d).smash.inp (generated)

000651580.b3lyp_6-31g(d).nwchem.inp (generated) 000651580.b3lyp_6-31g(d).log.xz 000651580.td-b3lyp_6-31g+(d).inp 000651580.td-b3lyp_6-31g+(d).log.xz

000651580.td-b3lyp_6-31+g(d).qchem.inp (generated)

000651580.td-b3lyp_6-31+g(d).gjf (generated)

000651580.td-b3lyp_6-31+g(d).firefly.inp (generated)

000651580.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000651580.mol 000651580.PUBCHEM 000651580.mol (via Jmol)
000651581.b3lyp_6-31g(d).inp

000651581.b3lyp_6-31g(d).qchem.inp (generated)

000651581.b3lyp_6-31g(d).gjf (generated)

000651581.b3lyp_6-31g(d).firefly.inp (generated)

000651581.b3lyp_6-31g(d).smash.inp (generated)

000651581.b3lyp_6-31g(d).nwchem.inp (generated) 000651581.b3lyp_6-31g(d).log.xz 000651581.mol 000651581.PUBCHEM 000651581.mol (via Jmol)
000651593.b3lyp_6-31g(d).inp

000651593.b3lyp_6-31g(d).qchem.inp (generated)

000651593.b3lyp_6-31g(d).gjf (generated)

000651593.b3lyp_6-31g(d).firefly.inp (generated)

000651593.b3lyp_6-31g(d).smash.inp (generated)

000651593.b3lyp_6-31g(d).nwchem.inp (generated) 000651593.b3lyp_6-31g(d).log.xz 000651593.td-b3lyp_6-31g+(d).inp 000651593.td-b3lyp_6-31g+(d).log.xz

000651593.td-b3lyp_6-31+g(d).qchem.inp (generated)

000651593.td-b3lyp_6-31+g(d).gjf (generated)

000651593.td-b3lyp_6-31+g(d).firefly.inp (generated)

000651593.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000651593.mol 000651593.PUBCHEM 000651593.mol (via Jmol)
000651661.b3lyp_6-31g(d).inp

000651661.b3lyp_6-31g(d).qchem.inp (generated)

000651661.b3lyp_6-31g(d).gjf (generated)

000651661.b3lyp_6-31g(d).firefly.inp (generated)

000651661.b3lyp_6-31g(d).smash.inp (generated)

000651661.b3lyp_6-31g(d).nwchem.inp (generated) 000651661.b3lyp_6-31g(d).log.xz 000651661.td-b3lyp_6-31g+(d).inp 000651661.td-b3lyp_6-31g+(d).log.xz

000651661.td-b3lyp_6-31+g(d).qchem.inp (generated)

000651661.td-b3lyp_6-31+g(d).gjf (generated)

000651661.td-b3lyp_6-31+g(d).firefly.inp (generated)

000651661.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000651661.mol 000651661.PUBCHEM 000651661.mol (via Jmol)
000651721.b3lyp_6-31g(d).inp

000651721.b3lyp_6-31g(d).qchem.inp (generated)

000651721.b3lyp_6-31g(d).gjf (generated)

000651721.b3lyp_6-31g(d).firefly.inp (generated)

000651721.b3lyp_6-31g(d).smash.inp (generated)

000651721.b3lyp_6-31g(d).nwchem.inp (generated) 000651721.b3lyp_6-31g(d).log.xz 000651721.td-b3lyp_6-31g+(d).inp 000651721.td-b3lyp_6-31g+(d).log.xz

000651721.td-b3lyp_6-31+g(d).qchem.inp (generated)

000651721.td-b3lyp_6-31+g(d).gjf (generated)

000651721.td-b3lyp_6-31+g(d).firefly.inp (generated)

000651721.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000651721.mol 000651721.PUBCHEM 000651721.mol (via Jmol)
000651752.b3lyp_6-31g(d).inp

000651752.b3lyp_6-31g(d).qchem.inp (generated)

000651752.b3lyp_6-31g(d).gjf (generated)

000651752.b3lyp_6-31g(d).firefly.inp (generated)

000651752.b3lyp_6-31g(d).smash.inp (generated)

000651752.b3lyp_6-31g(d).nwchem.inp (generated) 000651752.b3lyp_6-31g(d).log.xz 000651752.td-b3lyp_6-31g+(d).inp 000651752.td-b3lyp_6-31g+(d).log.xz

000651752.td-b3lyp_6-31+g(d).qchem.inp (generated)

000651752.td-b3lyp_6-31+g(d).gjf (generated)

000651752.td-b3lyp_6-31+g(d).firefly.inp (generated)

000651752.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000651752.mol 000651752.PUBCHEM 000651752.mol (via Jmol)
000651753.b3lyp_6-31g(d).inp

000651753.b3lyp_6-31g(d).qchem.inp (generated)

000651753.b3lyp_6-31g(d).gjf (generated)

000651753.b3lyp_6-31g(d).firefly.inp (generated)

000651753.b3lyp_6-31g(d).smash.inp (generated)

000651753.b3lyp_6-31g(d).nwchem.inp (generated) 000651753.b3lyp_6-31g(d).log.xz 000651753.td-b3lyp_6-31g+(d).inp 000651753.td-b3lyp_6-31g+(d).log.xz

000651753.td-b3lyp_6-31+g(d).qchem.inp (generated)

000651753.td-b3lyp_6-31+g(d).gjf (generated)

000651753.td-b3lyp_6-31+g(d).firefly.inp (generated)

000651753.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000651753.mol 000651753.PUBCHEM 000651753.mol (via Jmol)
000651805.b3lyp_6-31g(d).inp

000651805.b3lyp_6-31g(d).qchem.inp (generated)

000651805.b3lyp_6-31g(d).gjf (generated)

000651805.b3lyp_6-31g(d).firefly.inp (generated)

000651805.b3lyp_6-31g(d).smash.inp (generated)

000651805.b3lyp_6-31g(d).nwchem.inp (generated) 000651805.b3lyp_6-31g(d).log.xz 000651805.td-b3lyp_6-31g+(d).inp 000651805.td-b3lyp_6-31g+(d).log.xz

000651805.td-b3lyp_6-31+g(d).qchem.inp (generated)

000651805.td-b3lyp_6-31+g(d).gjf (generated)

000651805.td-b3lyp_6-31+g(d).firefly.inp (generated)

000651805.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000651805.mol 000651805.PUBCHEM 000651805.mol (via Jmol)
000651817.b3lyp_6-31g(d).inp

000651817.b3lyp_6-31g(d).qchem.inp (generated)

000651817.b3lyp_6-31g(d).gjf (generated)

000651817.b3lyp_6-31g(d).firefly.inp (generated)

000651817.b3lyp_6-31g(d).smash.inp (generated)

000651817.b3lyp_6-31g(d).nwchem.inp (generated) 000651817.b3lyp_6-31g(d).log.xz 000651817.td-b3lyp_6-31g+(d).inp 000651817.td-b3lyp_6-31g+(d).log.xz

000651817.td-b3lyp_6-31+g(d).qchem.inp (generated)

000651817.td-b3lyp_6-31+g(d).gjf (generated)

000651817.td-b3lyp_6-31+g(d).firefly.inp (generated)

000651817.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000651817.mol 000651817.PUBCHEM 000651817.mol (via Jmol)
000651861.b3lyp_6-31g(d).inp

000651861.b3lyp_6-31g(d).qchem.inp (generated)

000651861.b3lyp_6-31g(d).gjf (generated)

000651861.b3lyp_6-31g(d).firefly.inp (generated)

000651861.b3lyp_6-31g(d).smash.inp (generated)

000651861.b3lyp_6-31g(d).nwchem.inp (generated) 000651861.b3lyp_6-31g(d).log.xz 000651861.mol 000651861.PUBCHEM 000651861.mol (via Jmol)
000651862.b3lyp_6-31g(d).inp

000651862.b3lyp_6-31g(d).qchem.inp (generated)

000651862.b3lyp_6-31g(d).gjf (generated)

000651862.b3lyp_6-31g(d).firefly.inp (generated)

000651862.b3lyp_6-31g(d).smash.inp (generated)

000651862.b3lyp_6-31g(d).nwchem.inp (generated) 000651862.b3lyp_6-31g(d).log.xz 000651862.td-b3lyp_6-31g+(d).inp 000651862.td-b3lyp_6-31g+(d).log.xz

000651862.td-b3lyp_6-31+g(d).qchem.inp (generated)

000651862.td-b3lyp_6-31+g(d).gjf (generated)

000651862.td-b3lyp_6-31+g(d).firefly.inp (generated)

000651862.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000651862.mol 000651862.PUBCHEM 000651862.mol (via Jmol)
000651882.b3lyp_6-31g(d).inp

000651882.b3lyp_6-31g(d).qchem.inp (generated)

000651882.b3lyp_6-31g(d).gjf (generated)

000651882.b3lyp_6-31g(d).firefly.inp (generated)

000651882.b3lyp_6-31g(d).smash.inp (generated)

000651882.b3lyp_6-31g(d).nwchem.inp (generated) 000651882.b3lyp_6-31g(d).log.xz 000651882.td-b3lyp_6-31g+(d).inp 000651882.td-b3lyp_6-31g+(d).log.xz

000651882.td-b3lyp_6-31+g(d).qchem.inp (generated)

000651882.td-b3lyp_6-31+g(d).gjf (generated)

000651882.td-b3lyp_6-31+g(d).firefly.inp (generated)

000651882.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000651882.mol 000651882.PUBCHEM 000651882.mol (via Jmol)
000651893.b3lyp_6-31g(d).inp

000651893.b3lyp_6-31g(d).qchem.inp (generated)

000651893.b3lyp_6-31g(d).gjf (generated)

000651893.b3lyp_6-31g(d).firefly.inp (generated)

000651893.b3lyp_6-31g(d).smash.inp (generated)

000651893.b3lyp_6-31g(d).nwchem.inp (generated) 000651893.b3lyp_6-31g(d).log.xz 000651893.td-b3lyp_6-31g+(d).inp 000651893.td-b3lyp_6-31g+(d).log.xz

000651893.td-b3lyp_6-31+g(d).qchem.inp (generated)

000651893.td-b3lyp_6-31+g(d).gjf (generated)

000651893.td-b3lyp_6-31+g(d).firefly.inp (generated)

000651893.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000651893.mol 000651893.PUBCHEM 000651893.mol (via Jmol)
000651907.b3lyp_6-31g(d).inp

000651907.b3lyp_6-31g(d).qchem.inp (generated)

000651907.b3lyp_6-31g(d).gjf (generated)

000651907.b3lyp_6-31g(d).firefly.inp (generated)

000651907.b3lyp_6-31g(d).smash.inp (generated)

000651907.b3lyp_6-31g(d).nwchem.inp (generated) 000651907.b3lyp_6-31g(d).log.xz 000651907.mol 000651907.PUBCHEM 000651907.mol (via Jmol)
000651910.b3lyp_6-31g(d).inp

000651910.b3lyp_6-31g(d).qchem.inp (generated)

000651910.b3lyp_6-31g(d).gjf (generated)

000651910.b3lyp_6-31g(d).firefly.inp (generated)

000651910.b3lyp_6-31g(d).smash.inp (generated)

000651910.b3lyp_6-31g(d).nwchem.inp (generated) 000651910.b3lyp_6-31g(d).log.xz 000651910.td-b3lyp_6-31g+(d).inp 000651910.td-b3lyp_6-31g+(d).log.xz

000651910.td-b3lyp_6-31+g(d).qchem.inp (generated)

000651910.td-b3lyp_6-31+g(d).gjf (generated)

000651910.td-b3lyp_6-31+g(d).firefly.inp (generated)

000651910.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000651910.mol 000651910.PUBCHEM 000651910.mol (via Jmol)
000651922.b3lyp_6-31g(d).inp

000651922.b3lyp_6-31g(d).qchem.inp (generated)

000651922.b3lyp_6-31g(d).gjf (generated)

000651922.b3lyp_6-31g(d).firefly.inp (generated)

000651922.b3lyp_6-31g(d).smash.inp (generated)

000651922.b3lyp_6-31g(d).nwchem.inp (generated) 000651922.b3lyp_6-31g(d).log.xz 000651922.td-b3lyp_6-31g+(d).inp 000651922.td-b3lyp_6-31g+(d).log.xz

000651922.td-b3lyp_6-31+g(d).qchem.inp (generated)

000651922.td-b3lyp_6-31+g(d).gjf (generated)

000651922.td-b3lyp_6-31+g(d).firefly.inp (generated)

000651922.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000651922.mol 000651922.PUBCHEM 000651922.mol (via Jmol)
000651943.b3lyp_6-31g(d).inp

000651943.b3lyp_6-31g(d).qchem.inp (generated)

000651943.b3lyp_6-31g(d).gjf (generated)

000651943.b3lyp_6-31g(d).firefly.inp (generated)

000651943.b3lyp_6-31g(d).smash.inp (generated)

000651943.b3lyp_6-31g(d).nwchem.inp (generated) 000651943.b3lyp_6-31g(d).log.xz 000651943.td-b3lyp_6-31g+(d).inp 000651943.td-b3lyp_6-31g+(d).log.xz

000651943.td-b3lyp_6-31+g(d).qchem.inp (generated)

000651943.td-b3lyp_6-31+g(d).gjf (generated)

000651943.td-b3lyp_6-31+g(d).firefly.inp (generated)

000651943.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000651943.mol 000651943.PUBCHEM 000651943.mol (via Jmol)
000651978.b3lyp_6-31g(d).inp

000651978.b3lyp_6-31g(d).qchem.inp (generated)

000651978.b3lyp_6-31g(d).gjf (generated)

000651978.b3lyp_6-31g(d).firefly.inp (generated)

000651978.b3lyp_6-31g(d).smash.inp (generated)

000651978.b3lyp_6-31g(d).nwchem.inp (generated) 000651978.b3lyp_6-31g(d).log.xz 000651978.td-b3lyp_6-31g+(d).inp 000651978.td-b3lyp_6-31g+(d).log.xz

000651978.td-b3lyp_6-31+g(d).qchem.inp (generated)

000651978.td-b3lyp_6-31+g(d).gjf (generated)

000651978.td-b3lyp_6-31+g(d).firefly.inp (generated)

000651978.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000651978.mol 000651978.PUBCHEM 000651978.mol (via Jmol)
000652009.b3lyp_6-31g(d).inp

000652009.b3lyp_6-31g(d).qchem.inp (generated)

000652009.b3lyp_6-31g(d).gjf (generated)

000652009.b3lyp_6-31g(d).firefly.inp (generated)

000652009.b3lyp_6-31g(d).smash.inp (generated)

000652009.b3lyp_6-31g(d).nwchem.inp (generated) 000652009.b3lyp_6-31g(d).log.xz 000652009.td-b3lyp_6-31g+(d).inp 000652009.td-b3lyp_6-31g+(d).log.xz

000652009.td-b3lyp_6-31+g(d).qchem.inp (generated)

000652009.td-b3lyp_6-31+g(d).gjf (generated)

000652009.td-b3lyp_6-31+g(d).firefly.inp (generated)

000652009.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000652009.mol 000652009.PUBCHEM 000652009.mol (via Jmol)
000652029.b3lyp_6-31g(d).inp

000652029.b3lyp_6-31g(d).qchem.inp (generated)

000652029.b3lyp_6-31g(d).gjf (generated)

000652029.b3lyp_6-31g(d).firefly.inp (generated)

000652029.b3lyp_6-31g(d).smash.inp (generated)

000652029.b3lyp_6-31g(d).nwchem.inp (generated) 000652029.b3lyp_6-31g(d).log.xz 000652029.td-b3lyp_6-31g+(d).inp 000652029.td-b3lyp_6-31g+(d).log.xz

000652029.td-b3lyp_6-31+g(d).qchem.inp (generated)

000652029.td-b3lyp_6-31+g(d).gjf (generated)

000652029.td-b3lyp_6-31+g(d).firefly.inp (generated)

000652029.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000652029.mol 000652029.PUBCHEM 000652029.mol (via Jmol)
000652098.b3lyp_6-31g(d).inp

000652098.b3lyp_6-31g(d).qchem.inp (generated)

000652098.b3lyp_6-31g(d).gjf (generated)

000652098.b3lyp_6-31g(d).firefly.inp (generated)

000652098.b3lyp_6-31g(d).smash.inp (generated)

000652098.b3lyp_6-31g(d).nwchem.inp (generated) 000652098.b3lyp_6-31g(d).log.xz 000652098.td-b3lyp_6-31g+(d).inp 000652098.td-b3lyp_6-31g+(d).log.xz

000652098.td-b3lyp_6-31+g(d).qchem.inp (generated)

000652098.td-b3lyp_6-31+g(d).gjf (generated)

000652098.td-b3lyp_6-31+g(d).firefly.inp (generated)

000652098.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000652098.mol 000652098.PUBCHEM 000652098.mol (via Jmol)
000652106.b3lyp_6-31g(d).inp

000652106.b3lyp_6-31g(d).qchem.inp (generated)

000652106.b3lyp_6-31g(d).gjf (generated)

000652106.b3lyp_6-31g(d).firefly.inp (generated)

000652106.b3lyp_6-31g(d).smash.inp (generated)

000652106.b3lyp_6-31g(d).nwchem.inp (generated) 000652106.b3lyp_6-31g(d).log.xz 000652106.mol 000652106.PUBCHEM 000652106.mol (via Jmol)
000652108.b3lyp_6-31g(d).inp

000652108.b3lyp_6-31g(d).qchem.inp (generated)

000652108.b3lyp_6-31g(d).gjf (generated)

000652108.b3lyp_6-31g(d).firefly.inp (generated)

000652108.b3lyp_6-31g(d).smash.inp (generated)

000652108.b3lyp_6-31g(d).nwchem.inp (generated) 000652108.b3lyp_6-31g(d).log.xz 000652108.td-b3lyp_6-31g+(d).inp 000652108.td-b3lyp_6-31g+(d).log.xz

000652108.td-b3lyp_6-31+g(d).qchem.inp (generated)

000652108.td-b3lyp_6-31+g(d).gjf (generated)

000652108.td-b3lyp_6-31+g(d).firefly.inp (generated)

000652108.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000652108.mol 000652108.PUBCHEM 000652108.mol (via Jmol)
000652109.b3lyp_6-31g(d).inp

000652109.b3lyp_6-31g(d).qchem.inp (generated)

000652109.b3lyp_6-31g(d).gjf (generated)

000652109.b3lyp_6-31g(d).firefly.inp (generated)

000652109.b3lyp_6-31g(d).smash.inp (generated)

000652109.b3lyp_6-31g(d).nwchem.inp (generated) 000652109.b3lyp_6-31g(d).log.xz 000652109.td-b3lyp_6-31g+(d).inp 000652109.td-b3lyp_6-31g+(d).log.xz

000652109.td-b3lyp_6-31+g(d).qchem.inp (generated)

000652109.td-b3lyp_6-31+g(d).gjf (generated)

000652109.td-b3lyp_6-31+g(d).firefly.inp (generated)

000652109.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000652109.mol 000652109.PUBCHEM 000652109.mol (via Jmol)
000652125.b3lyp_6-31g(d).inp

000652125.b3lyp_6-31g(d).qchem.inp (generated)

000652125.b3lyp_6-31g(d).gjf (generated)

000652125.b3lyp_6-31g(d).firefly.inp (generated)

000652125.b3lyp_6-31g(d).smash.inp (generated)

000652125.b3lyp_6-31g(d).nwchem.inp (generated) 000652125.b3lyp_6-31g(d).log.xz 000652125.mol 000652125.PUBCHEM 000652125.mol (via Jmol)
000652178.b3lyp_6-31g(d).inp

000652178.b3lyp_6-31g(d).qchem.inp (generated)

000652178.b3lyp_6-31g(d).gjf (generated)

000652178.b3lyp_6-31g(d).firefly.inp (generated)

000652178.b3lyp_6-31g(d).smash.inp (generated)

000652178.b3lyp_6-31g(d).nwchem.inp (generated) 000652178.b3lyp_6-31g(d).log.xz 000652178.td-b3lyp_6-31g+(d).inp 000652178.td-b3lyp_6-31g+(d).log.xz

000652178.td-b3lyp_6-31+g(d).qchem.inp (generated)

000652178.td-b3lyp_6-31+g(d).gjf (generated)

000652178.td-b3lyp_6-31+g(d).firefly.inp (generated)

000652178.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000652178.mol 000652178.PUBCHEM 000652178.mol (via Jmol)
000652224.b3lyp_6-31g(d).inp

000652224.b3lyp_6-31g(d).qchem.inp (generated)

000652224.b3lyp_6-31g(d).gjf (generated)

000652224.b3lyp_6-31g(d).firefly.inp (generated)

000652224.b3lyp_6-31g(d).smash.inp (generated)

000652224.b3lyp_6-31g(d).nwchem.inp (generated) 000652224.b3lyp_6-31g(d).log.xz 000652224.td-b3lyp_6-31g+(d).inp 000652224.td-b3lyp_6-31g+(d).log.xz

000652224.td-b3lyp_6-31+g(d).qchem.inp (generated)

000652224.td-b3lyp_6-31+g(d).gjf (generated)

000652224.td-b3lyp_6-31+g(d).firefly.inp (generated)

000652224.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000652224.mol 000652224.PUBCHEM 000652224.mol (via Jmol)
000652271.b3lyp_6-31g(d).inp

000652271.b3lyp_6-31g(d).qchem.inp (generated)

000652271.b3lyp_6-31g(d).gjf (generated)

000652271.b3lyp_6-31g(d).firefly.inp (generated)

000652271.b3lyp_6-31g(d).smash.inp (generated)

000652271.b3lyp_6-31g(d).nwchem.inp (generated) 000652271.b3lyp_6-31g(d).log.xz 000652271.td-b3lyp_6-31g+(d).inp 000652271.td-b3lyp_6-31g+(d).log.xz

000652271.td-b3lyp_6-31+g(d).qchem.inp (generated)

000652271.td-b3lyp_6-31+g(d).gjf (generated)

000652271.td-b3lyp_6-31+g(d).firefly.inp (generated)

000652271.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000652271.mol 000652271.PUBCHEM 000652271.mol (via Jmol)
000652278.b3lyp_6-31g(d).inp

000652278.b3lyp_6-31g(d).qchem.inp (generated)

000652278.b3lyp_6-31g(d).gjf (generated)

000652278.b3lyp_6-31g(d).firefly.inp (generated)

000652278.b3lyp_6-31g(d).smash.inp (generated)

000652278.b3lyp_6-31g(d).nwchem.inp (generated) 000652278.b3lyp_6-31g(d).log.xz 000652278.mol 000652278.PUBCHEM 000652278.mol (via Jmol)
000652289.b3lyp_6-31g(d).inp

000652289.b3lyp_6-31g(d).qchem.inp (generated)

000652289.b3lyp_6-31g(d).gjf (generated)

000652289.b3lyp_6-31g(d).firefly.inp (generated)

000652289.b3lyp_6-31g(d).smash.inp (generated)

000652289.b3lyp_6-31g(d).nwchem.inp (generated) 000652289.b3lyp_6-31g(d).log.xz 000652289.td-b3lyp_6-31g+(d).inp 000652289.td-b3lyp_6-31g+(d).log.xz

000652289.td-b3lyp_6-31+g(d).qchem.inp (generated)

000652289.td-b3lyp_6-31+g(d).gjf (generated)

000652289.td-b3lyp_6-31+g(d).firefly.inp (generated)

000652289.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000652289.mol 000652289.PUBCHEM 000652289.mol (via Jmol)
000652295.b3lyp_6-31g(d).inp

000652295.b3lyp_6-31g(d).qchem.inp (generated)

000652295.b3lyp_6-31g(d).gjf (generated)

000652295.b3lyp_6-31g(d).firefly.inp (generated)

000652295.b3lyp_6-31g(d).smash.inp (generated)

000652295.b3lyp_6-31g(d).nwchem.inp (generated) 000652295.b3lyp_6-31g(d).log.xz 000652295.td-b3lyp_6-31g+(d).inp 000652295.td-b3lyp_6-31g+(d).log.xz

000652295.td-b3lyp_6-31+g(d).qchem.inp (generated)

000652295.td-b3lyp_6-31+g(d).gjf (generated)

000652295.td-b3lyp_6-31+g(d).firefly.inp (generated)

000652295.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000652295.mol 000652295.PUBCHEM 000652295.mol (via Jmol)
000652306.b3lyp_6-31g(d).inp

000652306.b3lyp_6-31g(d).qchem.inp (generated)

000652306.b3lyp_6-31g(d).gjf (generated)

000652306.b3lyp_6-31g(d).firefly.inp (generated)

000652306.b3lyp_6-31g(d).smash.inp (generated)

000652306.b3lyp_6-31g(d).nwchem.inp (generated) 000652306.b3lyp_6-31g(d).log.xz 000652306.td-b3lyp_6-31g+(d).inp 000652306.td-b3lyp_6-31g+(d).log.xz

000652306.td-b3lyp_6-31+g(d).qchem.inp (generated)

000652306.td-b3lyp_6-31+g(d).gjf (generated)

000652306.td-b3lyp_6-31+g(d).firefly.inp (generated)

000652306.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000652306.mol 000652306.PUBCHEM 000652306.mol (via Jmol)
000652318.b3lyp_6-31g(d).inp

000652318.b3lyp_6-31g(d).qchem.inp (generated)

000652318.b3lyp_6-31g(d).gjf (generated)

000652318.b3lyp_6-31g(d).firefly.inp (generated)

000652318.b3lyp_6-31g(d).smash.inp (generated)

000652318.b3lyp_6-31g(d).nwchem.inp (generated) 000652318.b3lyp_6-31g(d).log.xz 000652318.td-b3lyp_6-31g+(d).inp 000652318.td-b3lyp_6-31g+(d).log.xz

000652318.td-b3lyp_6-31+g(d).qchem.inp (generated)

000652318.td-b3lyp_6-31+g(d).gjf (generated)

000652318.td-b3lyp_6-31+g(d).firefly.inp (generated)

000652318.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000652318.mol 000652318.PUBCHEM 000652318.mol (via Jmol)
000652324.b3lyp_6-31g(d).inp

000652324.b3lyp_6-31g(d).qchem.inp (generated)

000652324.b3lyp_6-31g(d).gjf (generated)

000652324.b3lyp_6-31g(d).firefly.inp (generated)

000652324.b3lyp_6-31g(d).smash.inp (generated)

000652324.b3lyp_6-31g(d).nwchem.inp (generated) 000652324.b3lyp_6-31g(d).log.xz 000652324.td-b3lyp_6-31g+(d).inp 000652324.td-b3lyp_6-31g+(d).log.xz

000652324.td-b3lyp_6-31+g(d).qchem.inp (generated)

000652324.td-b3lyp_6-31+g(d).gjf (generated)

000652324.td-b3lyp_6-31+g(d).firefly.inp (generated)

000652324.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000652324.mol 000652324.PUBCHEM 000652324.mol (via Jmol)
000652342.b3lyp_6-31g(d).inp

000652342.b3lyp_6-31g(d).qchem.inp (generated)

000652342.b3lyp_6-31g(d).gjf (generated)

000652342.b3lyp_6-31g(d).firefly.inp (generated)

000652342.b3lyp_6-31g(d).smash.inp (generated)

000652342.b3lyp_6-31g(d).nwchem.inp (generated) 000652342.b3lyp_6-31g(d).log.xz 000652342.td-b3lyp_6-31g+(d).inp 000652342.td-b3lyp_6-31g+(d).log.xz

000652342.td-b3lyp_6-31+g(d).qchem.inp (generated)

000652342.td-b3lyp_6-31+g(d).gjf (generated)

000652342.td-b3lyp_6-31+g(d).firefly.inp (generated)

000652342.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000652342.mol 000652342.PUBCHEM 000652342.mol (via Jmol)
000652349.b3lyp_6-31g(d).inp

000652349.b3lyp_6-31g(d).qchem.inp (generated)

000652349.b3lyp_6-31g(d).gjf (generated)

000652349.b3lyp_6-31g(d).firefly.inp (generated)

000652349.b3lyp_6-31g(d).smash.inp (generated)

000652349.b3lyp_6-31g(d).nwchem.inp (generated) 000652349.b3lyp_6-31g(d).log.xz 000652349.td-b3lyp_6-31g+(d).inp 000652349.td-b3lyp_6-31g+(d).log.xz

000652349.td-b3lyp_6-31+g(d).qchem.inp (generated)

000652349.td-b3lyp_6-31+g(d).gjf (generated)

000652349.td-b3lyp_6-31+g(d).firefly.inp (generated)

000652349.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000652349.mol 000652349.PUBCHEM 000652349.mol (via Jmol)
000652386.b3lyp_6-31g(d).inp

000652386.b3lyp_6-31g(d).qchem.inp (generated)

000652386.b3lyp_6-31g(d).gjf (generated)

000652386.b3lyp_6-31g(d).firefly.inp (generated)

000652386.b3lyp_6-31g(d).smash.inp (generated)

000652386.b3lyp_6-31g(d).nwchem.inp (generated) 000652386.b3lyp_6-31g(d).log.xz 000652386.mol 000652386.PUBCHEM 000652386.mol (via Jmol)
000652414.b3lyp_6-31g(d).inp

000652414.b3lyp_6-31g(d).qchem.inp (generated)

000652414.b3lyp_6-31g(d).gjf (generated)

000652414.b3lyp_6-31g(d).firefly.inp (generated)

000652414.b3lyp_6-31g(d).smash.inp (generated)

000652414.b3lyp_6-31g(d).nwchem.inp (generated) 000652414.b3lyp_6-31g(d).log.xz 000652414.td-b3lyp_6-31g+(d).inp 000652414.td-b3lyp_6-31g+(d).log.xz

000652414.td-b3lyp_6-31+g(d).qchem.inp (generated)

000652414.td-b3lyp_6-31+g(d).gjf (generated)

000652414.td-b3lyp_6-31+g(d).firefly.inp (generated)

000652414.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000652414.mol 000652414.PUBCHEM 000652414.mol (via Jmol)
000652468.b3lyp_6-31g(d).inp

000652468.b3lyp_6-31g(d).qchem.inp (generated)

000652468.b3lyp_6-31g(d).gjf (generated)

000652468.b3lyp_6-31g(d).firefly.inp (generated)

000652468.b3lyp_6-31g(d).smash.inp (generated)

000652468.b3lyp_6-31g(d).nwchem.inp (generated) 000652468.b3lyp_6-31g(d).log.xz 000652468.mol 000652468.PUBCHEM 000652468.mol (via Jmol)
000652469.b3lyp_6-31g(d).inp

000652469.b3lyp_6-31g(d).qchem.inp (generated)

000652469.b3lyp_6-31g(d).gjf (generated)

000652469.b3lyp_6-31g(d).firefly.inp (generated)

000652469.b3lyp_6-31g(d).smash.inp (generated)

000652469.b3lyp_6-31g(d).nwchem.inp (generated) 000652469.b3lyp_6-31g(d).log.xz 000652469.td-b3lyp_6-31g+(d).inp 000652469.td-b3lyp_6-31g+(d).log.xz

000652469.td-b3lyp_6-31+g(d).qchem.inp (generated)

000652469.td-b3lyp_6-31+g(d).gjf (generated)

000652469.td-b3lyp_6-31+g(d).firefly.inp (generated)

000652469.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000652469.mol 000652469.PUBCHEM 000652469.mol (via Jmol)
000652497.b3lyp_6-31g(d).inp

000652497.b3lyp_6-31g(d).qchem.inp (generated)

000652497.b3lyp_6-31g(d).gjf (generated)

000652497.b3lyp_6-31g(d).firefly.inp (generated)

000652497.b3lyp_6-31g(d).smash.inp (generated)

000652497.b3lyp_6-31g(d).nwchem.inp (generated) 000652497.b3lyp_6-31g(d).log.xz 000652497.td-b3lyp_6-31g+(d).inp 000652497.td-b3lyp_6-31g+(d).log.xz

000652497.td-b3lyp_6-31+g(d).qchem.inp (generated)

000652497.td-b3lyp_6-31+g(d).gjf (generated)

000652497.td-b3lyp_6-31+g(d).firefly.inp (generated)

000652497.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000652497.mol 000652497.PUBCHEM 000652497.mol (via Jmol)
000652541.b3lyp_6-31g(d).inp

000652541.b3lyp_6-31g(d).qchem.inp (generated)

000652541.b3lyp_6-31g(d).gjf (generated)

000652541.b3lyp_6-31g(d).firefly.inp (generated)

000652541.b3lyp_6-31g(d).smash.inp (generated)

000652541.b3lyp_6-31g(d).nwchem.inp (generated) 000652541.b3lyp_6-31g(d).log.xz 000652541.td-b3lyp_6-31g+(d).inp 000652541.td-b3lyp_6-31g+(d).log.xz

000652541.td-b3lyp_6-31+g(d).qchem.inp (generated)

000652541.td-b3lyp_6-31+g(d).gjf (generated)

000652541.td-b3lyp_6-31+g(d).firefly.inp (generated)

000652541.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000652541.mol 000652541.PUBCHEM 000652541.mol (via Jmol)
000652583.b3lyp_6-31g(d).inp

000652583.b3lyp_6-31g(d).qchem.inp (generated)

000652583.b3lyp_6-31g(d).gjf (generated)

000652583.b3lyp_6-31g(d).firefly.inp (generated)

000652583.b3lyp_6-31g(d).smash.inp (generated)

000652583.b3lyp_6-31g(d).nwchem.inp (generated) 000652583.b3lyp_6-31g(d).log.xz 000652583.mol 000652583.PUBCHEM 000652583.mol (via Jmol)
000652586.b3lyp_6-31g(d).inp

000652586.b3lyp_6-31g(d).qchem.inp (generated)

000652586.b3lyp_6-31g(d).gjf (generated)

000652586.b3lyp_6-31g(d).firefly.inp (generated)

000652586.b3lyp_6-31g(d).smash.inp (generated)

000652586.b3lyp_6-31g(d).nwchem.inp (generated) 000652586.b3lyp_6-31g(d).log.xz 000652586.td-b3lyp_6-31g+(d).inp 000652586.td-b3lyp_6-31g+(d).log.xz

000652586.td-b3lyp_6-31+g(d).qchem.inp (generated)

000652586.td-b3lyp_6-31+g(d).gjf (generated)

000652586.td-b3lyp_6-31+g(d).firefly.inp (generated)

000652586.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000652586.mol 000652586.PUBCHEM 000652586.mol (via Jmol)
000652587.b3lyp_6-31g(d).inp

000652587.b3lyp_6-31g(d).qchem.inp (generated)

000652587.b3lyp_6-31g(d).gjf (generated)

000652587.b3lyp_6-31g(d).firefly.inp (generated)

000652587.b3lyp_6-31g(d).smash.inp (generated)

000652587.b3lyp_6-31g(d).nwchem.inp (generated) 000652587.b3lyp_6-31g(d).log.xz 000652587.td-b3lyp_6-31g+(d).inp 000652587.td-b3lyp_6-31g+(d).log.xz

000652587.td-b3lyp_6-31+g(d).qchem.inp (generated)

000652587.td-b3lyp_6-31+g(d).gjf (generated)

000652587.td-b3lyp_6-31+g(d).firefly.inp (generated)

000652587.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000652587.mol 000652587.PUBCHEM 000652587.mol (via Jmol)
000652588.b3lyp_6-31g(d).inp

000652588.b3lyp_6-31g(d).qchem.inp (generated)

000652588.b3lyp_6-31g(d).gjf (generated)

000652588.b3lyp_6-31g(d).firefly.inp (generated)

000652588.b3lyp_6-31g(d).smash.inp (generated)

000652588.b3lyp_6-31g(d).nwchem.inp (generated) 000652588.b3lyp_6-31g(d).log.xz 000652588.mol 000652588.PUBCHEM 000652588.mol (via Jmol)
000652614.b3lyp_6-31g(d).inp

000652614.b3lyp_6-31g(d).qchem.inp (generated)

000652614.b3lyp_6-31g(d).gjf (generated)

000652614.b3lyp_6-31g(d).firefly.inp (generated)

000652614.b3lyp_6-31g(d).smash.inp (generated)

000652614.b3lyp_6-31g(d).nwchem.inp (generated) 000652614.b3lyp_6-31g(d).log.xz 000652614.td-b3lyp_6-31g+(d).inp 000652614.td-b3lyp_6-31g+(d).log.xz

000652614.td-b3lyp_6-31+g(d).qchem.inp (generated)

000652614.td-b3lyp_6-31+g(d).gjf (generated)

000652614.td-b3lyp_6-31+g(d).firefly.inp (generated)

000652614.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000652614.mol 000652614.PUBCHEM 000652614.mol (via Jmol)
000652625.b3lyp_6-31g(d).inp

000652625.b3lyp_6-31g(d).qchem.inp (generated)

000652625.b3lyp_6-31g(d).gjf (generated)

000652625.b3lyp_6-31g(d).firefly.inp (generated)

000652625.b3lyp_6-31g(d).smash.inp (generated)

000652625.b3lyp_6-31g(d).nwchem.inp (generated) 000652625.b3lyp_6-31g(d).log.xz 000652625.td-b3lyp_6-31g+(d).inp 000652625.td-b3lyp_6-31g+(d).log.xz

000652625.td-b3lyp_6-31+g(d).qchem.inp (generated)

000652625.td-b3lyp_6-31+g(d).gjf (generated)

000652625.td-b3lyp_6-31+g(d).firefly.inp (generated)

000652625.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000652625.mol 000652625.PUBCHEM 000652625.mol (via Jmol)
000652629.b3lyp_6-31g(d).inp

000652629.b3lyp_6-31g(d).qchem.inp (generated)

000652629.b3lyp_6-31g(d).gjf (generated)

000652629.b3lyp_6-31g(d).firefly.inp (generated)

000652629.b3lyp_6-31g(d).smash.inp (generated)

000652629.b3lyp_6-31g(d).nwchem.inp (generated) 000652629.b3lyp_6-31g(d).log.xz 000652629.td-b3lyp_6-31g+(d).inp 000652629.td-b3lyp_6-31g+(d).log.xz

000652629.td-b3lyp_6-31+g(d).qchem.inp (generated)

000652629.td-b3lyp_6-31+g(d).gjf (generated)

000652629.td-b3lyp_6-31+g(d).firefly.inp (generated)

000652629.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000652629.mol 000652629.PUBCHEM 000652629.mol (via Jmol)
000652633.b3lyp_6-31g(d).inp

000652633.b3lyp_6-31g(d).qchem.inp (generated)

000652633.b3lyp_6-31g(d).gjf (generated)

000652633.b3lyp_6-31g(d).firefly.inp (generated)

000652633.b3lyp_6-31g(d).smash.inp (generated)

000652633.b3lyp_6-31g(d).nwchem.inp (generated) 000652633.b3lyp_6-31g(d).log.xz 000652633.mol 000652633.PUBCHEM 000652633.mol (via Jmol)
000652667.b3lyp_6-31g(d).inp

000652667.b3lyp_6-31g(d).qchem.inp (generated)

000652667.b3lyp_6-31g(d).gjf (generated)

000652667.b3lyp_6-31g(d).firefly.inp (generated)

000652667.b3lyp_6-31g(d).smash.inp (generated)

000652667.b3lyp_6-31g(d).nwchem.inp (generated) 000652667.b3lyp_6-31g(d).log.xz 000652667.mol 000652667.PUBCHEM 000652667.mol (via Jmol)
000652673.b3lyp_6-31g(d).inp

000652673.b3lyp_6-31g(d).qchem.inp (generated)

000652673.b3lyp_6-31g(d).gjf (generated)

000652673.b3lyp_6-31g(d).firefly.inp (generated)

000652673.b3lyp_6-31g(d).smash.inp (generated)

000652673.b3lyp_6-31g(d).nwchem.inp (generated) 000652673.b3lyp_6-31g(d).log.xz 000652673.mol 000652673.PUBCHEM 000652673.mol (via Jmol)
000652683.b3lyp_6-31g(d).inp

000652683.b3lyp_6-31g(d).qchem.inp (generated)

000652683.b3lyp_6-31g(d).gjf (generated)

000652683.b3lyp_6-31g(d).firefly.inp (generated)

000652683.b3lyp_6-31g(d).smash.inp (generated)

000652683.b3lyp_6-31g(d).nwchem.inp (generated) 000652683.b3lyp_6-31g(d).log.xz 000652683.td-b3lyp_6-31g+(d).inp 000652683.td-b3lyp_6-31g+(d).log.xz

000652683.td-b3lyp_6-31+g(d).qchem.inp (generated)

000652683.td-b3lyp_6-31+g(d).gjf (generated)

000652683.td-b3lyp_6-31+g(d).firefly.inp (generated)

000652683.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000652683.mol 000652683.PUBCHEM 000652683.mol (via Jmol)
000652709.b3lyp_6-31g(d).inp

000652709.b3lyp_6-31g(d).qchem.inp (generated)

000652709.b3lyp_6-31g(d).gjf (generated)

000652709.b3lyp_6-31g(d).firefly.inp (generated)

000652709.b3lyp_6-31g(d).smash.inp (generated)

000652709.b3lyp_6-31g(d).nwchem.inp (generated) 000652709.b3lyp_6-31g(d).log.xz 000652709.td-b3lyp_6-31g+(d).inp 000652709.td-b3lyp_6-31g+(d).log.xz

000652709.td-b3lyp_6-31+g(d).qchem.inp (generated)

000652709.td-b3lyp_6-31+g(d).gjf (generated)

000652709.td-b3lyp_6-31+g(d).firefly.inp (generated)

000652709.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000652709.mol 000652709.PUBCHEM 000652709.mol (via Jmol)
000652762.b3lyp_6-31g(d).inp

000652762.b3lyp_6-31g(d).qchem.inp (generated)

000652762.b3lyp_6-31g(d).gjf (generated)

000652762.b3lyp_6-31g(d).firefly.inp (generated)

000652762.b3lyp_6-31g(d).smash.inp (generated)

000652762.b3lyp_6-31g(d).nwchem.inp (generated) 000652762.b3lyp_6-31g(d).log.xz 000652762.td-b3lyp_6-31g+(d).inp 000652762.td-b3lyp_6-31g+(d).log.xz

000652762.td-b3lyp_6-31+g(d).qchem.inp (generated)

000652762.td-b3lyp_6-31+g(d).gjf (generated)

000652762.td-b3lyp_6-31+g(d).firefly.inp (generated)

000652762.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000652762.mol 000652762.PUBCHEM 000652762.mol (via Jmol)
000652782.b3lyp_6-31g(d).inp

000652782.b3lyp_6-31g(d).qchem.inp (generated)

000652782.b3lyp_6-31g(d).gjf (generated)

000652782.b3lyp_6-31g(d).firefly.inp (generated)

000652782.b3lyp_6-31g(d).smash.inp (generated)

000652782.b3lyp_6-31g(d).nwchem.inp (generated) 000652782.b3lyp_6-31g(d).log.xz 000652782.td-b3lyp_6-31g+(d).inp 000652782.td-b3lyp_6-31g+(d).log.xz

000652782.td-b3lyp_6-31+g(d).qchem.inp (generated)

000652782.td-b3lyp_6-31+g(d).gjf (generated)

000652782.td-b3lyp_6-31+g(d).firefly.inp (generated)

000652782.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000652782.mol 000652782.PUBCHEM 000652782.mol (via Jmol)
000652826.b3lyp_6-31g(d).inp

000652826.b3lyp_6-31g(d).qchem.inp (generated)

000652826.b3lyp_6-31g(d).gjf (generated)

000652826.b3lyp_6-31g(d).firefly.inp (generated)

000652826.b3lyp_6-31g(d).smash.inp (generated)

000652826.b3lyp_6-31g(d).nwchem.inp (generated) 000652826.b3lyp_6-31g(d).log.xz 000652826.td-b3lyp_6-31g+(d).inp 000652826.td-b3lyp_6-31g+(d).log.xz

000652826.td-b3lyp_6-31+g(d).qchem.inp (generated)

000652826.td-b3lyp_6-31+g(d).gjf (generated)

000652826.td-b3lyp_6-31+g(d).firefly.inp (generated)

000652826.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000652826.mol 000652826.PUBCHEM 000652826.mol (via Jmol)
000652841.b3lyp_6-31g(d).inp

000652841.b3lyp_6-31g(d).qchem.inp (generated)

000652841.b3lyp_6-31g(d).gjf (generated)

000652841.b3lyp_6-31g(d).firefly.inp (generated)

000652841.b3lyp_6-31g(d).smash.inp (generated)

000652841.b3lyp_6-31g(d).nwchem.inp (generated) 000652841.b3lyp_6-31g(d).log.xz 000652841.td-b3lyp_6-31g+(d).inp 000652841.td-b3lyp_6-31g+(d).log.xz

000652841.td-b3lyp_6-31+g(d).qchem.inp (generated)

000652841.td-b3lyp_6-31+g(d).gjf (generated)

000652841.td-b3lyp_6-31+g(d).firefly.inp (generated)

000652841.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000652841.mol 000652841.PUBCHEM 000652841.mol (via Jmol)
000652879.b3lyp_6-31g(d).inp

000652879.b3lyp_6-31g(d).qchem.inp (generated)

000652879.b3lyp_6-31g(d).gjf (generated)

000652879.b3lyp_6-31g(d).firefly.inp (generated)

000652879.b3lyp_6-31g(d).smash.inp (generated)

000652879.b3lyp_6-31g(d).nwchem.inp (generated) 000652879.b3lyp_6-31g(d).log.xz 000652879.td-b3lyp_6-31g+(d).inp 000652879.td-b3lyp_6-31g+(d).log.xz

000652879.td-b3lyp_6-31+g(d).qchem.inp (generated)

000652879.td-b3lyp_6-31+g(d).gjf (generated)

000652879.td-b3lyp_6-31+g(d).firefly.inp (generated)

000652879.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000652879.mol 000652879.PUBCHEM 000652879.mol (via Jmol)
000652896.b3lyp_6-31g(d).inp

000652896.b3lyp_6-31g(d).qchem.inp (generated)

000652896.b3lyp_6-31g(d).gjf (generated)

000652896.b3lyp_6-31g(d).firefly.inp (generated)

000652896.b3lyp_6-31g(d).smash.inp (generated)

000652896.b3lyp_6-31g(d).nwchem.inp (generated) 000652896.b3lyp_6-31g(d).log.xz 000652896.td-b3lyp_6-31g+(d).inp 000652896.td-b3lyp_6-31g+(d).log.xz

000652896.td-b3lyp_6-31+g(d).qchem.inp (generated)

000652896.td-b3lyp_6-31+g(d).gjf (generated)

000652896.td-b3lyp_6-31+g(d).firefly.inp (generated)

000652896.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000652896.mol 000652896.PUBCHEM 000652896.mol (via Jmol)
000652898.b3lyp_6-31g(d).inp

000652898.b3lyp_6-31g(d).qchem.inp (generated)

000652898.b3lyp_6-31g(d).gjf (generated)

000652898.b3lyp_6-31g(d).firefly.inp (generated)

000652898.b3lyp_6-31g(d).smash.inp (generated)

000652898.b3lyp_6-31g(d).nwchem.inp (generated) 000652898.b3lyp_6-31g(d).log.xz 000652898.td-b3lyp_6-31g+(d).inp 000652898.td-b3lyp_6-31g+(d).log.xz

000652898.td-b3lyp_6-31+g(d).qchem.inp (generated)

000652898.td-b3lyp_6-31+g(d).gjf (generated)

000652898.td-b3lyp_6-31+g(d).firefly.inp (generated)

000652898.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000652898.mol 000652898.PUBCHEM 000652898.mol (via Jmol)
000652923.b3lyp_6-31g(d).inp

000652923.b3lyp_6-31g(d).qchem.inp (generated)

000652923.b3lyp_6-31g(d).gjf (generated)

000652923.b3lyp_6-31g(d).firefly.inp (generated)

000652923.b3lyp_6-31g(d).smash.inp (generated)

000652923.b3lyp_6-31g(d).nwchem.inp (generated) 000652923.b3lyp_6-31g(d).log.xz 000652923.mol 000652923.PUBCHEM 000652923.mol (via Jmol)
000652953.b3lyp_6-31g(d).inp

000652953.b3lyp_6-31g(d).qchem.inp (generated)

000652953.b3lyp_6-31g(d).gjf (generated)

000652953.b3lyp_6-31g(d).firefly.inp (generated)

000652953.b3lyp_6-31g(d).smash.inp (generated)

000652953.b3lyp_6-31g(d).nwchem.inp (generated) 000652953.b3lyp_6-31g(d).log.xz 000652953.td-b3lyp_6-31g+(d).inp 000652953.td-b3lyp_6-31g+(d).log.xz

000652953.td-b3lyp_6-31+g(d).qchem.inp (generated)

000652953.td-b3lyp_6-31+g(d).gjf (generated)

000652953.td-b3lyp_6-31+g(d).firefly.inp (generated)

000652953.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000652953.mol 000652953.PUBCHEM 000652953.mol (via Jmol)
000652955.b3lyp_6-31g(d).inp

000652955.b3lyp_6-31g(d).qchem.inp (generated)

000652955.b3lyp_6-31g(d).gjf (generated)

000652955.b3lyp_6-31g(d).firefly.inp (generated)

000652955.b3lyp_6-31g(d).smash.inp (generated)

000652955.b3lyp_6-31g(d).nwchem.inp (generated) 000652955.b3lyp_6-31g(d).log.xz 000652955.td-b3lyp_6-31g+(d).inp 000652955.td-b3lyp_6-31g+(d).log.xz

000652955.td-b3lyp_6-31+g(d).qchem.inp (generated)

000652955.td-b3lyp_6-31+g(d).gjf (generated)

000652955.td-b3lyp_6-31+g(d).firefly.inp (generated)

000652955.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000652955.mol 000652955.PUBCHEM 000652955.mol (via Jmol)
000652960.b3lyp_6-31g(d).inp

000652960.b3lyp_6-31g(d).qchem.inp (generated)

000652960.b3lyp_6-31g(d).gjf (generated)

000652960.b3lyp_6-31g(d).firefly.inp (generated)

000652960.b3lyp_6-31g(d).smash.inp (generated)

000652960.b3lyp_6-31g(d).nwchem.inp (generated) 000652960.b3lyp_6-31g(d).log.xz 000652960.mol 000652960.PUBCHEM 000652960.mol (via Jmol)
000652966.b3lyp_6-31g(d).inp

000652966.b3lyp_6-31g(d).qchem.inp (generated)

000652966.b3lyp_6-31g(d).gjf (generated)

000652966.b3lyp_6-31g(d).firefly.inp (generated)

000652966.b3lyp_6-31g(d).smash.inp (generated)

000652966.b3lyp_6-31g(d).nwchem.inp (generated) 000652966.b3lyp_6-31g(d).log.xz 000652966.td-b3lyp_6-31g+(d).inp 000652966.td-b3lyp_6-31g+(d).log.xz

000652966.td-b3lyp_6-31+g(d).qchem.inp (generated)

000652966.td-b3lyp_6-31+g(d).gjf (generated)

000652966.td-b3lyp_6-31+g(d).firefly.inp (generated)

000652966.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000652966.mol 000652966.PUBCHEM 000652966.mol (via Jmol)
000652978.b3lyp_6-31g(d).inp

000652978.b3lyp_6-31g(d).qchem.inp (generated)

000652978.b3lyp_6-31g(d).gjf (generated)

000652978.b3lyp_6-31g(d).firefly.inp (generated)

000652978.b3lyp_6-31g(d).smash.inp (generated)

000652978.b3lyp_6-31g(d).nwchem.inp (generated) 000652978.b3lyp_6-31g(d).log.xz 000652978.mol 000652978.PUBCHEM 000652978.mol (via Jmol)
000652985.b3lyp_6-31g(d).inp

000652985.b3lyp_6-31g(d).qchem.inp (generated)

000652985.b3lyp_6-31g(d).gjf (generated)

000652985.b3lyp_6-31g(d).firefly.inp (generated)

000652985.b3lyp_6-31g(d).smash.inp (generated)

000652985.b3lyp_6-31g(d).nwchem.inp (generated) 000652985.b3lyp_6-31g(d).log.xz 000652985.td-b3lyp_6-31g+(d).inp 000652985.td-b3lyp_6-31g+(d).log.xz

000652985.td-b3lyp_6-31+g(d).qchem.inp (generated)

000652985.td-b3lyp_6-31+g(d).gjf (generated)

000652985.td-b3lyp_6-31+g(d).firefly.inp (generated)

000652985.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000652985.mol 000652985.PUBCHEM 000652985.mol (via Jmol)
000652989.b3lyp_6-31g(d).inp

000652989.b3lyp_6-31g(d).qchem.inp (generated)

000652989.b3lyp_6-31g(d).gjf (generated)

000652989.b3lyp_6-31g(d).firefly.inp (generated)

000652989.b3lyp_6-31g(d).smash.inp (generated)

000652989.b3lyp_6-31g(d).nwchem.inp (generated) 000652989.b3lyp_6-31g(d).log.xz 000652989.td-b3lyp_6-31g+(d).inp 000652989.td-b3lyp_6-31g+(d).log.xz

000652989.td-b3lyp_6-31+g(d).qchem.inp (generated)

000652989.td-b3lyp_6-31+g(d).gjf (generated)

000652989.td-b3lyp_6-31+g(d).firefly.inp (generated)

000652989.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000652989.mol 000652989.PUBCHEM 000652989.mol (via Jmol)
000653012.b3lyp_6-31g(d).inp

000653012.b3lyp_6-31g(d).qchem.inp (generated)

000653012.b3lyp_6-31g(d).gjf (generated)

000653012.b3lyp_6-31g(d).firefly.inp (generated)

000653012.b3lyp_6-31g(d).smash.inp (generated)

000653012.b3lyp_6-31g(d).nwchem.inp (generated) 000653012.b3lyp_6-31g(d).log.xz 000653012.td-b3lyp_6-31g+(d).inp 000653012.td-b3lyp_6-31g+(d).log.xz

000653012.td-b3lyp_6-31+g(d).qchem.inp (generated)

000653012.td-b3lyp_6-31+g(d).gjf (generated)

000653012.td-b3lyp_6-31+g(d).firefly.inp (generated)

000653012.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000653012.mol 000653012.PUBCHEM 000653012.mol (via Jmol)
000653081.b3lyp_6-31g(d).inp

000653081.b3lyp_6-31g(d).qchem.inp (generated)

000653081.b3lyp_6-31g(d).gjf (generated)

000653081.b3lyp_6-31g(d).firefly.inp (generated)

000653081.b3lyp_6-31g(d).smash.inp (generated)

000653081.b3lyp_6-31g(d).nwchem.inp (generated) 000653081.b3lyp_6-31g(d).log.xz 000653081.td-b3lyp_6-31g+(d).inp 000653081.td-b3lyp_6-31g+(d).log.xz

000653081.td-b3lyp_6-31+g(d).qchem.inp (generated)

000653081.td-b3lyp_6-31+g(d).gjf (generated)

000653081.td-b3lyp_6-31+g(d).firefly.inp (generated)

000653081.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000653081.mol 000653081.PUBCHEM 000653081.mol (via Jmol)
000653133.b3lyp_6-31g(d).inp

000653133.b3lyp_6-31g(d).qchem.inp (generated)

000653133.b3lyp_6-31g(d).gjf (generated)

000653133.b3lyp_6-31g(d).firefly.inp (generated)

000653133.b3lyp_6-31g(d).smash.inp (generated)

000653133.b3lyp_6-31g(d).nwchem.inp (generated) 000653133.b3lyp_6-31g(d).log.xz 000653133.td-b3lyp_6-31g+(d).inp 000653133.td-b3lyp_6-31g+(d).log.xz

000653133.td-b3lyp_6-31+g(d).qchem.inp (generated)

000653133.td-b3lyp_6-31+g(d).gjf (generated)

000653133.td-b3lyp_6-31+g(d).firefly.inp (generated)

000653133.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000653133.mol 000653133.PUBCHEM 000653133.mol (via Jmol)
000653155.b3lyp_6-31g(d).inp

000653155.b3lyp_6-31g(d).qchem.inp (generated)

000653155.b3lyp_6-31g(d).gjf (generated)

000653155.b3lyp_6-31g(d).firefly.inp (generated)

000653155.b3lyp_6-31g(d).smash.inp (generated)

000653155.b3lyp_6-31g(d).nwchem.inp (generated) 000653155.b3lyp_6-31g(d).log.xz 000653155.td-b3lyp_6-31g+(d).inp 000653155.td-b3lyp_6-31g+(d).log.xz

000653155.td-b3lyp_6-31+g(d).qchem.inp (generated)

000653155.td-b3lyp_6-31+g(d).gjf (generated)

000653155.td-b3lyp_6-31+g(d).firefly.inp (generated)

000653155.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000653155.mol 000653155.PUBCHEM 000653155.mol (via Jmol)
000653180.b3lyp_6-31g(d).inp

000653180.b3lyp_6-31g(d).qchem.inp (generated)

000653180.b3lyp_6-31g(d).gjf (generated)

000653180.b3lyp_6-31g(d).firefly.inp (generated)

000653180.b3lyp_6-31g(d).smash.inp (generated)

000653180.b3lyp_6-31g(d).nwchem.inp (generated) 000653180.b3lyp_6-31g(d).log.xz 000653180.td-b3lyp_6-31g+(d).inp 000653180.td-b3lyp_6-31g+(d).log.xz

000653180.td-b3lyp_6-31+g(d).qchem.inp (generated)

000653180.td-b3lyp_6-31+g(d).gjf (generated)

000653180.td-b3lyp_6-31+g(d).firefly.inp (generated)

000653180.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000653180.mol 000653180.PUBCHEM 000653180.mol (via Jmol)
000653215.b3lyp_6-31g(d).inp

000653215.b3lyp_6-31g(d).qchem.inp (generated)

000653215.b3lyp_6-31g(d).gjf (generated)

000653215.b3lyp_6-31g(d).firefly.inp (generated)

000653215.b3lyp_6-31g(d).smash.inp (generated)

000653215.b3lyp_6-31g(d).nwchem.inp (generated) 000653215.b3lyp_6-31g(d).log.xz 000653215.td-b3lyp_6-31g+(d).inp 000653215.td-b3lyp_6-31g+(d).log.xz

000653215.td-b3lyp_6-31+g(d).qchem.inp (generated)

000653215.td-b3lyp_6-31+g(d).gjf (generated)

000653215.td-b3lyp_6-31+g(d).firefly.inp (generated)

000653215.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000653215.mol 000653215.PUBCHEM 000653215.mol (via Jmol)
000653226.b3lyp_6-31g(d).inp

000653226.b3lyp_6-31g(d).qchem.inp (generated)

000653226.b3lyp_6-31g(d).gjf (generated)

000653226.b3lyp_6-31g(d).firefly.inp (generated)

000653226.b3lyp_6-31g(d).smash.inp (generated)

000653226.b3lyp_6-31g(d).nwchem.inp (generated) 000653226.b3lyp_6-31g(d).log.xz 000653226.td-b3lyp_6-31g+(d).inp 000653226.td-b3lyp_6-31g+(d).log.xz

000653226.td-b3lyp_6-31+g(d).qchem.inp (generated)

000653226.td-b3lyp_6-31+g(d).gjf (generated)

000653226.td-b3lyp_6-31+g(d).firefly.inp (generated)

000653226.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000653226.mol 000653226.PUBCHEM 000653226.mol (via Jmol)
000653292.b3lyp_6-31g(d).inp

000653292.b3lyp_6-31g(d).qchem.inp (generated)

000653292.b3lyp_6-31g(d).gjf (generated)

000653292.b3lyp_6-31g(d).firefly.inp (generated)

000653292.b3lyp_6-31g(d).smash.inp (generated)

000653292.b3lyp_6-31g(d).nwchem.inp (generated) 000653292.b3lyp_6-31g(d).log.xz 000653292.mol 000653292.PUBCHEM 000653292.mol (via Jmol)
000653309.b3lyp_6-31g(d).inp

000653309.b3lyp_6-31g(d).qchem.inp (generated)

000653309.b3lyp_6-31g(d).gjf (generated)

000653309.b3lyp_6-31g(d).firefly.inp (generated)

000653309.b3lyp_6-31g(d).smash.inp (generated)

000653309.b3lyp_6-31g(d).nwchem.inp (generated) 000653309.b3lyp_6-31g(d).log.xz 000653309.mol 000653309.PUBCHEM 000653309.mol (via Jmol)
000653320.b3lyp_6-31g(d).inp

000653320.b3lyp_6-31g(d).qchem.inp (generated)

000653320.b3lyp_6-31g(d).gjf (generated)

000653320.b3lyp_6-31g(d).firefly.inp (generated)

000653320.b3lyp_6-31g(d).smash.inp (generated)

000653320.b3lyp_6-31g(d).nwchem.inp (generated) 000653320.b3lyp_6-31g(d).log.xz 000653320.td-b3lyp_6-31g+(d).inp 000653320.td-b3lyp_6-31g+(d).log.xz

000653320.td-b3lyp_6-31+g(d).qchem.inp (generated)

000653320.td-b3lyp_6-31+g(d).gjf (generated)

000653320.td-b3lyp_6-31+g(d).firefly.inp (generated)

000653320.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000653320.mol 000653320.PUBCHEM 000653320.mol (via Jmol)
000653344.b3lyp_6-31g(d).inp

000653344.b3lyp_6-31g(d).qchem.inp (generated)

000653344.b3lyp_6-31g(d).gjf (generated)

000653344.b3lyp_6-31g(d).firefly.inp (generated)

000653344.b3lyp_6-31g(d).smash.inp (generated)

000653344.b3lyp_6-31g(d).nwchem.inp (generated) 000653344.b3lyp_6-31g(d).log.xz 000653344.td-b3lyp_6-31g+(d).inp 000653344.td-b3lyp_6-31g+(d).log.xz

000653344.td-b3lyp_6-31+g(d).qchem.inp (generated)

000653344.td-b3lyp_6-31+g(d).gjf (generated)

000653344.td-b3lyp_6-31+g(d).firefly.inp (generated)

000653344.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000653344.mol 000653344.PUBCHEM 000653344.mol (via Jmol)
000653346.b3lyp_6-31g(d).inp

000653346.b3lyp_6-31g(d).qchem.inp (generated)

000653346.b3lyp_6-31g(d).gjf (generated)

000653346.b3lyp_6-31g(d).firefly.inp (generated)

000653346.b3lyp_6-31g(d).smash.inp (generated)

000653346.b3lyp_6-31g(d).nwchem.inp (generated) 000653346.b3lyp_6-31g(d).log.xz 000653346.td-b3lyp_6-31g+(d).inp 000653346.td-b3lyp_6-31g+(d).log.xz

000653346.td-b3lyp_6-31+g(d).qchem.inp (generated)

000653346.td-b3lyp_6-31+g(d).gjf (generated)

000653346.td-b3lyp_6-31+g(d).firefly.inp (generated)

000653346.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000653346.mol 000653346.PUBCHEM 000653346.mol (via Jmol)
000653352.b3lyp_6-31g(d).inp

000653352.b3lyp_6-31g(d).qchem.inp (generated)

000653352.b3lyp_6-31g(d).gjf (generated)

000653352.b3lyp_6-31g(d).firefly.inp (generated)

000653352.b3lyp_6-31g(d).smash.inp (generated)

000653352.b3lyp_6-31g(d).nwchem.inp (generated) 000653352.b3lyp_6-31g(d).log.xz 000653352.td-b3lyp_6-31g+(d).inp 000653352.td-b3lyp_6-31g+(d).log.xz

000653352.td-b3lyp_6-31+g(d).qchem.inp (generated)

000653352.td-b3lyp_6-31+g(d).gjf (generated)

000653352.td-b3lyp_6-31+g(d).firefly.inp (generated)

000653352.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000653352.mol 000653352.PUBCHEM 000653352.mol (via Jmol)
000653357.b3lyp_6-31g(d).inp

000653357.b3lyp_6-31g(d).qchem.inp (generated)

000653357.b3lyp_6-31g(d).gjf (generated)

000653357.b3lyp_6-31g(d).firefly.inp (generated)

000653357.b3lyp_6-31g(d).smash.inp (generated)

000653357.b3lyp_6-31g(d).nwchem.inp (generated) 000653357.b3lyp_6-31g(d).log.xz 000653357.td-b3lyp_6-31g+(d).inp 000653357.td-b3lyp_6-31g+(d).log.xz

000653357.td-b3lyp_6-31+g(d).qchem.inp (generated)

000653357.td-b3lyp_6-31+g(d).gjf (generated)

000653357.td-b3lyp_6-31+g(d).firefly.inp (generated)

000653357.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000653357.mol 000653357.PUBCHEM 000653357.mol (via Jmol)
000653376.b3lyp_6-31g(d).inp

000653376.b3lyp_6-31g(d).qchem.inp (generated)

000653376.b3lyp_6-31g(d).gjf (generated)

000653376.b3lyp_6-31g(d).firefly.inp (generated)

000653376.b3lyp_6-31g(d).smash.inp (generated)

000653376.b3lyp_6-31g(d).nwchem.inp (generated) 000653376.b3lyp_6-31g(d).log.xz 000653376.mol 000653376.PUBCHEM 000653376.mol (via Jmol)
000653379.b3lyp_6-31g(d).inp

000653379.b3lyp_6-31g(d).qchem.inp (generated)

000653379.b3lyp_6-31g(d).gjf (generated)

000653379.b3lyp_6-31g(d).firefly.inp (generated)

000653379.b3lyp_6-31g(d).smash.inp (generated)

000653379.b3lyp_6-31g(d).nwchem.inp (generated) 000653379.b3lyp_6-31g(d).log.xz 000653379.td-b3lyp_6-31g+(d).inp 000653379.td-b3lyp_6-31g+(d).log.xz

000653379.td-b3lyp_6-31+g(d).qchem.inp (generated)

000653379.td-b3lyp_6-31+g(d).gjf (generated)

000653379.td-b3lyp_6-31+g(d).firefly.inp (generated)

000653379.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000653379.mol 000653379.PUBCHEM 000653379.mol (via Jmol)
000653397.b3lyp_6-31g(d).inp

000653397.b3lyp_6-31g(d).qchem.inp (generated)

000653397.b3lyp_6-31g(d).gjf (generated)

000653397.b3lyp_6-31g(d).firefly.inp (generated)

000653397.b3lyp_6-31g(d).smash.inp (generated)

000653397.b3lyp_6-31g(d).nwchem.inp (generated) 000653397.b3lyp_6-31g(d).log.xz 000653397.td-b3lyp_6-31g+(d).inp 000653397.td-b3lyp_6-31g+(d).log.xz

000653397.td-b3lyp_6-31+g(d).qchem.inp (generated)

000653397.td-b3lyp_6-31+g(d).gjf (generated)

000653397.td-b3lyp_6-31+g(d).firefly.inp (generated)

000653397.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000653397.mol 000653397.PUBCHEM 000653397.mol (via Jmol)
000653424.b3lyp_6-31g(d).inp

000653424.b3lyp_6-31g(d).qchem.inp (generated)

000653424.b3lyp_6-31g(d).gjf (generated)

000653424.b3lyp_6-31g(d).firefly.inp (generated)

000653424.b3lyp_6-31g(d).smash.inp (generated)

000653424.b3lyp_6-31g(d).nwchem.inp (generated) 000653424.b3lyp_6-31g(d).log.xz 000653424.mol 000653424.PUBCHEM 000653424.mol (via Jmol)
000653428.b3lyp_6-31g(d).inp

000653428.b3lyp_6-31g(d).qchem.inp (generated)

000653428.b3lyp_6-31g(d).gjf (generated)

000653428.b3lyp_6-31g(d).firefly.inp (generated)

000653428.b3lyp_6-31g(d).smash.inp (generated)

000653428.b3lyp_6-31g(d).nwchem.inp (generated) 000653428.b3lyp_6-31g(d).log.xz 000653428.td-b3lyp_6-31g+(d).inp 000653428.td-b3lyp_6-31g+(d).log.xz

000653428.td-b3lyp_6-31+g(d).qchem.inp (generated)

000653428.td-b3lyp_6-31+g(d).gjf (generated)

000653428.td-b3lyp_6-31+g(d).firefly.inp (generated)

000653428.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000653428.mol 000653428.PUBCHEM 000653428.mol (via Jmol)
000653440.b3lyp_6-31g(d).inp

000653440.b3lyp_6-31g(d).qchem.inp (generated)

000653440.b3lyp_6-31g(d).gjf (generated)

000653440.b3lyp_6-31g(d).firefly.inp (generated)

000653440.b3lyp_6-31g(d).smash.inp (generated)

000653440.b3lyp_6-31g(d).nwchem.inp (generated) 000653440.b3lyp_6-31g(d).log.xz 000653440.td-b3lyp_6-31g+(d).inp 000653440.td-b3lyp_6-31g+(d).log.xz

000653440.td-b3lyp_6-31+g(d).qchem.inp (generated)

000653440.td-b3lyp_6-31+g(d).gjf (generated)

000653440.td-b3lyp_6-31+g(d).firefly.inp (generated)

000653440.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000653440.mol 000653440.PUBCHEM 000653440.mol (via Jmol)
000653464.b3lyp_6-31g(d).inp

000653464.b3lyp_6-31g(d).qchem.inp (generated)

000653464.b3lyp_6-31g(d).gjf (generated)

000653464.b3lyp_6-31g(d).firefly.inp (generated)

000653464.b3lyp_6-31g(d).smash.inp (generated)

000653464.b3lyp_6-31g(d).nwchem.inp (generated) 000653464.b3lyp_6-31g(d).log.xz 000653464.td-b3lyp_6-31g+(d).inp 000653464.td-b3lyp_6-31g+(d).log.xz

000653464.td-b3lyp_6-31+g(d).qchem.inp (generated)

000653464.td-b3lyp_6-31+g(d).gjf (generated)

000653464.td-b3lyp_6-31+g(d).firefly.inp (generated)

000653464.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000653464.mol 000653464.PUBCHEM 000653464.mol (via Jmol)
000653478.b3lyp_6-31g(d).inp

000653478.b3lyp_6-31g(d).qchem.inp (generated)

000653478.b3lyp_6-31g(d).gjf (generated)

000653478.b3lyp_6-31g(d).firefly.inp (generated)

000653478.b3lyp_6-31g(d).smash.inp (generated)

000653478.b3lyp_6-31g(d).nwchem.inp (generated) 000653478.b3lyp_6-31g(d).log.xz 000653478.td-b3lyp_6-31g+(d).inp 000653478.td-b3lyp_6-31g+(d).log.xz

000653478.td-b3lyp_6-31+g(d).qchem.inp (generated)

000653478.td-b3lyp_6-31+g(d).gjf (generated)

000653478.td-b3lyp_6-31+g(d).firefly.inp (generated)

000653478.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000653478.mol 000653478.PUBCHEM 000653478.mol (via Jmol)
000653548.b3lyp_6-31g(d).inp

000653548.b3lyp_6-31g(d).qchem.inp (generated)

000653548.b3lyp_6-31g(d).gjf (generated)

000653548.b3lyp_6-31g(d).firefly.inp (generated)

000653548.b3lyp_6-31g(d).smash.inp (generated)

000653548.b3lyp_6-31g(d).nwchem.inp (generated) 000653548.b3lyp_6-31g(d).log.xz 000653548.mol 000653548.PUBCHEM 000653548.mol (via Jmol)
000653577.b3lyp_6-31g(d).inp

000653577.b3lyp_6-31g(d).qchem.inp (generated)

000653577.b3lyp_6-31g(d).gjf (generated)

000653577.b3lyp_6-31g(d).firefly.inp (generated)

000653577.b3lyp_6-31g(d).smash.inp (generated)

000653577.b3lyp_6-31g(d).nwchem.inp (generated) 000653577.b3lyp_6-31g(d).log.xz 000653577.td-b3lyp_6-31g+(d).inp 000653577.td-b3lyp_6-31g+(d).log.xz

000653577.td-b3lyp_6-31+g(d).qchem.inp (generated)

000653577.td-b3lyp_6-31+g(d).gjf (generated)

000653577.td-b3lyp_6-31+g(d).firefly.inp (generated)

000653577.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000653577.mol 000653577.PUBCHEM 000653577.mol (via Jmol)
000653604.b3lyp_6-31g(d).inp

000653604.b3lyp_6-31g(d).qchem.inp (generated)

000653604.b3lyp_6-31g(d).gjf (generated)

000653604.b3lyp_6-31g(d).firefly.inp (generated)

000653604.b3lyp_6-31g(d).smash.inp (generated)

000653604.b3lyp_6-31g(d).nwchem.inp (generated) 000653604.b3lyp_6-31g(d).log.xz 000653604.td-b3lyp_6-31g+(d).inp 000653604.td-b3lyp_6-31g+(d).log.xz

000653604.td-b3lyp_6-31+g(d).qchem.inp (generated)

000653604.td-b3lyp_6-31+g(d).gjf (generated)

000653604.td-b3lyp_6-31+g(d).firefly.inp (generated)

000653604.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000653604.mol 000653604.PUBCHEM 000653604.mol (via Jmol)
000653647.b3lyp_6-31g(d).inp

000653647.b3lyp_6-31g(d).qchem.inp (generated)

000653647.b3lyp_6-31g(d).gjf (generated)

000653647.b3lyp_6-31g(d).firefly.inp (generated)

000653647.b3lyp_6-31g(d).smash.inp (generated)

000653647.b3lyp_6-31g(d).nwchem.inp (generated) 000653647.b3lyp_6-31g(d).log.xz 000653647.td-b3lyp_6-31g+(d).inp 000653647.td-b3lyp_6-31g+(d).log.xz

000653647.td-b3lyp_6-31+g(d).qchem.inp (generated)

000653647.td-b3lyp_6-31+g(d).gjf (generated)

000653647.td-b3lyp_6-31+g(d).firefly.inp (generated)

000653647.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000653647.mol 000653647.PUBCHEM 000653647.mol (via Jmol)
000653648.b3lyp_6-31g(d).inp

000653648.b3lyp_6-31g(d).qchem.inp (generated)

000653648.b3lyp_6-31g(d).gjf (generated)

000653648.b3lyp_6-31g(d).firefly.inp (generated)

000653648.b3lyp_6-31g(d).smash.inp (generated)

000653648.b3lyp_6-31g(d).nwchem.inp (generated) 000653648.b3lyp_6-31g(d).log.xz 000653648.td-b3lyp_6-31g+(d).inp 000653648.td-b3lyp_6-31g+(d).log.xz

000653648.td-b3lyp_6-31+g(d).qchem.inp (generated)

000653648.td-b3lyp_6-31+g(d).gjf (generated)

000653648.td-b3lyp_6-31+g(d).firefly.inp (generated)

000653648.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000653648.mol 000653648.PUBCHEM 000653648.mol (via Jmol)
000653654.b3lyp_6-31g(d).inp

000653654.b3lyp_6-31g(d).qchem.inp (generated)

000653654.b3lyp_6-31g(d).gjf (generated)

000653654.b3lyp_6-31g(d).firefly.inp (generated)

000653654.b3lyp_6-31g(d).smash.inp (generated)

000653654.b3lyp_6-31g(d).nwchem.inp (generated) 000653654.b3lyp_6-31g(d).log.xz 000653654.td-b3lyp_6-31g+(d).inp 000653654.td-b3lyp_6-31g+(d).log.xz

000653654.td-b3lyp_6-31+g(d).qchem.inp (generated)

000653654.td-b3lyp_6-31+g(d).gjf (generated)

000653654.td-b3lyp_6-31+g(d).firefly.inp (generated)

000653654.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000653654.mol 000653654.PUBCHEM 000653654.mol (via Jmol)
000653661.b3lyp_6-31g(d).inp

000653661.b3lyp_6-31g(d).qchem.inp (generated)

000653661.b3lyp_6-31g(d).gjf (generated)

000653661.b3lyp_6-31g(d).firefly.inp (generated)

000653661.b3lyp_6-31g(d).smash.inp (generated)

000653661.b3lyp_6-31g(d).nwchem.inp (generated) 000653661.b3lyp_6-31g(d).log.xz 000653661.td-b3lyp_6-31g+(d).inp 000653661.td-b3lyp_6-31g+(d).log.xz

000653661.td-b3lyp_6-31+g(d).qchem.inp (generated)

000653661.td-b3lyp_6-31+g(d).gjf (generated)

000653661.td-b3lyp_6-31+g(d).firefly.inp (generated)

000653661.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000653661.mol 000653661.PUBCHEM 000653661.mol (via Jmol)
000653685.b3lyp_6-31g(d).inp

000653685.b3lyp_6-31g(d).qchem.inp (generated)

000653685.b3lyp_6-31g(d).gjf (generated)

000653685.b3lyp_6-31g(d).firefly.inp (generated)

000653685.b3lyp_6-31g(d).smash.inp (generated)

000653685.b3lyp_6-31g(d).nwchem.inp (generated) 000653685.b3lyp_6-31g(d).log.xz 000653685.td-b3lyp_6-31g+(d).inp 000653685.td-b3lyp_6-31g+(d).log.xz

000653685.td-b3lyp_6-31+g(d).qchem.inp (generated)

000653685.td-b3lyp_6-31+g(d).gjf (generated)

000653685.td-b3lyp_6-31+g(d).firefly.inp (generated)

000653685.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000653685.mol 000653685.PUBCHEM 000653685.mol (via Jmol)
000653687.b3lyp_6-31g(d).inp

000653687.b3lyp_6-31g(d).qchem.inp (generated)

000653687.b3lyp_6-31g(d).gjf (generated)

000653687.b3lyp_6-31g(d).firefly.inp (generated)

000653687.b3lyp_6-31g(d).smash.inp (generated)

000653687.b3lyp_6-31g(d).nwchem.inp (generated) 000653687.b3lyp_6-31g(d).log.xz 000653687.td-b3lyp_6-31g+(d).inp 000653687.td-b3lyp_6-31g+(d).log.xz

000653687.td-b3lyp_6-31+g(d).qchem.inp (generated)

000653687.td-b3lyp_6-31+g(d).gjf (generated)

000653687.td-b3lyp_6-31+g(d).firefly.inp (generated)

000653687.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000653687.mol 000653687.PUBCHEM 000653687.mol (via Jmol)
000653743.b3lyp_6-31g(d).inp

000653743.b3lyp_6-31g(d).qchem.inp (generated)

000653743.b3lyp_6-31g(d).gjf (generated)

000653743.b3lyp_6-31g(d).firefly.inp (generated)

000653743.b3lyp_6-31g(d).smash.inp (generated)

000653743.b3lyp_6-31g(d).nwchem.inp (generated) 000653743.b3lyp_6-31g(d).log.xz 000653743.td-b3lyp_6-31g+(d).inp 000653743.td-b3lyp_6-31g+(d).log.xz

000653743.td-b3lyp_6-31+g(d).qchem.inp (generated)

000653743.td-b3lyp_6-31+g(d).gjf (generated)

000653743.td-b3lyp_6-31+g(d).firefly.inp (generated)

000653743.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000653743.mol 000653743.PUBCHEM 000653743.mol (via Jmol)
000653756.b3lyp_6-31g(d).inp

000653756.b3lyp_6-31g(d).qchem.inp (generated)

000653756.b3lyp_6-31g(d).gjf (generated)

000653756.b3lyp_6-31g(d).firefly.inp (generated)

000653756.b3lyp_6-31g(d).smash.inp (generated)

000653756.b3lyp_6-31g(d).nwchem.inp (generated) 000653756.b3lyp_6-31g(d).log.xz 000653756.td-b3lyp_6-31g+(d).inp 000653756.td-b3lyp_6-31g+(d).log.xz

000653756.td-b3lyp_6-31+g(d).qchem.inp (generated)

000653756.td-b3lyp_6-31+g(d).gjf (generated)

000653756.td-b3lyp_6-31+g(d).firefly.inp (generated)

000653756.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000653756.mol 000653756.PUBCHEM 000653756.mol (via Jmol)
000653824.b3lyp_6-31g(d).inp

000653824.b3lyp_6-31g(d).qchem.inp (generated)

000653824.b3lyp_6-31g(d).gjf (generated)

000653824.b3lyp_6-31g(d).firefly.inp (generated)

000653824.b3lyp_6-31g(d).smash.inp (generated)

000653824.b3lyp_6-31g(d).nwchem.inp (generated) 000653824.b3lyp_6-31g(d).log.xz 000653824.td-b3lyp_6-31g+(d).inp 000653824.td-b3lyp_6-31g+(d).log.xz

000653824.td-b3lyp_6-31+g(d).qchem.inp (generated)

000653824.td-b3lyp_6-31+g(d).gjf (generated)

000653824.td-b3lyp_6-31+g(d).firefly.inp (generated)

000653824.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000653824.mol 000653824.PUBCHEM 000653824.mol (via Jmol)
000653848.b3lyp_6-31g(d).inp

000653848.b3lyp_6-31g(d).qchem.inp (generated)

000653848.b3lyp_6-31g(d).gjf (generated)

000653848.b3lyp_6-31g(d).firefly.inp (generated)

000653848.b3lyp_6-31g(d).smash.inp (generated)

000653848.b3lyp_6-31g(d).nwchem.inp (generated) 000653848.b3lyp_6-31g(d).log.xz 000653848.td-b3lyp_6-31g+(d).inp 000653848.td-b3lyp_6-31g+(d).log.xz

000653848.td-b3lyp_6-31+g(d).qchem.inp (generated)

000653848.td-b3lyp_6-31+g(d).gjf (generated)

000653848.td-b3lyp_6-31+g(d).firefly.inp (generated)

000653848.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000653848.mol 000653848.PUBCHEM 000653848.mol (via Jmol)
000653889.b3lyp_6-31g(d).inp

000653889.b3lyp_6-31g(d).qchem.inp (generated)

000653889.b3lyp_6-31g(d).gjf (generated)

000653889.b3lyp_6-31g(d).firefly.inp (generated)

000653889.b3lyp_6-31g(d).smash.inp (generated)

000653889.b3lyp_6-31g(d).nwchem.inp (generated) 000653889.b3lyp_6-31g(d).log.xz 000653889.td-b3lyp_6-31g+(d).inp 000653889.td-b3lyp_6-31g+(d).log.xz

000653889.td-b3lyp_6-31+g(d).qchem.inp (generated)

000653889.td-b3lyp_6-31+g(d).gjf (generated)

000653889.td-b3lyp_6-31+g(d).firefly.inp (generated)

000653889.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000653889.mol 000653889.PUBCHEM 000653889.mol (via Jmol)
000653890.b3lyp_6-31g(d).inp

000653890.b3lyp_6-31g(d).qchem.inp (generated)

000653890.b3lyp_6-31g(d).gjf (generated)

000653890.b3lyp_6-31g(d).firefly.inp (generated)

000653890.b3lyp_6-31g(d).smash.inp (generated)

000653890.b3lyp_6-31g(d).nwchem.inp (generated) 000653890.b3lyp_6-31g(d).log.xz 000653890.td-b3lyp_6-31g+(d).inp 000653890.td-b3lyp_6-31g+(d).log.xz

000653890.td-b3lyp_6-31+g(d).qchem.inp (generated)

000653890.td-b3lyp_6-31+g(d).gjf (generated)

000653890.td-b3lyp_6-31+g(d).firefly.inp (generated)

000653890.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000653890.mol 000653890.PUBCHEM 000653890.mol (via Jmol)
000653897.b3lyp_6-31g(d).inp

000653897.b3lyp_6-31g(d).qchem.inp (generated)

000653897.b3lyp_6-31g(d).gjf (generated)

000653897.b3lyp_6-31g(d).firefly.inp (generated)

000653897.b3lyp_6-31g(d).smash.inp (generated)

000653897.b3lyp_6-31g(d).nwchem.inp (generated) 000653897.b3lyp_6-31g(d).log.xz 000653897.td-b3lyp_6-31g+(d).inp 000653897.td-b3lyp_6-31g+(d).log.xz

000653897.td-b3lyp_6-31+g(d).qchem.inp (generated)

000653897.td-b3lyp_6-31+g(d).gjf (generated)

000653897.td-b3lyp_6-31+g(d).firefly.inp (generated)

000653897.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000653897.mol 000653897.PUBCHEM 000653897.mol (via Jmol)
000653899.b3lyp_6-31g(d).inp

000653899.b3lyp_6-31g(d).qchem.inp (generated)

000653899.b3lyp_6-31g(d).gjf (generated)

000653899.b3lyp_6-31g(d).firefly.inp (generated)

000653899.b3lyp_6-31g(d).smash.inp (generated)

000653899.b3lyp_6-31g(d).nwchem.inp (generated) 000653899.b3lyp_6-31g(d).log.xz 000653899.td-b3lyp_6-31g+(d).inp 000653899.td-b3lyp_6-31g+(d).log.xz

000653899.td-b3lyp_6-31+g(d).qchem.inp (generated)

000653899.td-b3lyp_6-31+g(d).gjf (generated)

000653899.td-b3lyp_6-31+g(d).firefly.inp (generated)

000653899.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000653899.mol 000653899.PUBCHEM 000653899.mol (via Jmol)
000653923.b3lyp_6-31g(d).inp

000653923.b3lyp_6-31g(d).qchem.inp (generated)

000653923.b3lyp_6-31g(d).gjf (generated)

000653923.b3lyp_6-31g(d).firefly.inp (generated)

000653923.b3lyp_6-31g(d).smash.inp (generated)

000653923.b3lyp_6-31g(d).nwchem.inp (generated) 000653923.b3lyp_6-31g(d).log.xz 000653923.td-b3lyp_6-31g+(d).inp 000653923.td-b3lyp_6-31g+(d).log.xz

000653923.td-b3lyp_6-31+g(d).qchem.inp (generated)

000653923.td-b3lyp_6-31+g(d).gjf (generated)

000653923.td-b3lyp_6-31+g(d).firefly.inp (generated)

000653923.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000653923.mol 000653923.PUBCHEM 000653923.mol (via Jmol)
000653930.b3lyp_6-31g(d).inp

000653930.b3lyp_6-31g(d).qchem.inp (generated)

000653930.b3lyp_6-31g(d).gjf (generated)

000653930.b3lyp_6-31g(d).firefly.inp (generated)

000653930.b3lyp_6-31g(d).smash.inp (generated)

000653930.b3lyp_6-31g(d).nwchem.inp (generated) 000653930.b3lyp_6-31g(d).log.xz 000653930.td-b3lyp_6-31g+(d).inp 000653930.td-b3lyp_6-31g+(d).log.xz

000653930.td-b3lyp_6-31+g(d).qchem.inp (generated)

000653930.td-b3lyp_6-31+g(d).gjf (generated)

000653930.td-b3lyp_6-31+g(d).firefly.inp (generated)

000653930.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000653930.mol 000653930.PUBCHEM 000653930.mol (via Jmol)
000653935.b3lyp_6-31g(d).inp

000653935.b3lyp_6-31g(d).qchem.inp (generated)

000653935.b3lyp_6-31g(d).gjf (generated)

000653935.b3lyp_6-31g(d).firefly.inp (generated)

000653935.b3lyp_6-31g(d).smash.inp (generated)

000653935.b3lyp_6-31g(d).nwchem.inp (generated) 000653935.b3lyp_6-31g(d).log.xz 000653935.td-b3lyp_6-31g+(d).inp 000653935.td-b3lyp_6-31g+(d).log.xz

000653935.td-b3lyp_6-31+g(d).qchem.inp (generated)

000653935.td-b3lyp_6-31+g(d).gjf (generated)

000653935.td-b3lyp_6-31+g(d).firefly.inp (generated)

000653935.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000653935.mol 000653935.PUBCHEM 000653935.mol (via Jmol)
000653940.b3lyp_6-31g(d).inp

000653940.b3lyp_6-31g(d).qchem.inp (generated)

000653940.b3lyp_6-31g(d).gjf (generated)

000653940.b3lyp_6-31g(d).firefly.inp (generated)

000653940.b3lyp_6-31g(d).smash.inp (generated)

000653940.b3lyp_6-31g(d).nwchem.inp (generated) 000653940.b3lyp_6-31g(d).log.xz 000653940.td-b3lyp_6-31g+(d).inp 000653940.td-b3lyp_6-31g+(d).log.xz

000653940.td-b3lyp_6-31+g(d).qchem.inp (generated)

000653940.td-b3lyp_6-31+g(d).gjf (generated)

000653940.td-b3lyp_6-31+g(d).firefly.inp (generated)

000653940.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000653940.mol 000653940.PUBCHEM 000653940.mol (via Jmol)
000653949.b3lyp_6-31g(d).inp

000653949.b3lyp_6-31g(d).qchem.inp (generated)

000653949.b3lyp_6-31g(d).gjf (generated)

000653949.b3lyp_6-31g(d).firefly.inp (generated)

000653949.b3lyp_6-31g(d).smash.inp (generated)

000653949.b3lyp_6-31g(d).nwchem.inp (generated) 000653949.b3lyp_6-31g(d).log.xz 000653949.mol 000653949.PUBCHEM 000653949.mol (via Jmol)
000654018.b3lyp_6-31g(d).inp

000654018.b3lyp_6-31g(d).qchem.inp (generated)

000654018.b3lyp_6-31g(d).gjf (generated)

000654018.b3lyp_6-31g(d).firefly.inp (generated)

000654018.b3lyp_6-31g(d).smash.inp (generated)

000654018.b3lyp_6-31g(d).nwchem.inp (generated) 000654018.b3lyp_6-31g(d).log.xz 000654018.td-b3lyp_6-31g+(d).inp 000654018.td-b3lyp_6-31g+(d).log.xz

000654018.td-b3lyp_6-31+g(d).qchem.inp (generated)

000654018.td-b3lyp_6-31+g(d).gjf (generated)

000654018.td-b3lyp_6-31+g(d).firefly.inp (generated)

000654018.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000654018.mol 000654018.PUBCHEM 000654018.mol (via Jmol)
000654022.b3lyp_6-31g(d).inp

000654022.b3lyp_6-31g(d).qchem.inp (generated)

000654022.b3lyp_6-31g(d).gjf (generated)

000654022.b3lyp_6-31g(d).firefly.inp (generated)

000654022.b3lyp_6-31g(d).smash.inp (generated)

000654022.b3lyp_6-31g(d).nwchem.inp (generated) 000654022.b3lyp_6-31g(d).log.xz 000654022.td-b3lyp_6-31g+(d).inp 000654022.td-b3lyp_6-31g+(d).log.xz

000654022.td-b3lyp_6-31+g(d).qchem.inp (generated)

000654022.td-b3lyp_6-31+g(d).gjf (generated)

000654022.td-b3lyp_6-31+g(d).firefly.inp (generated)

000654022.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000654022.mol 000654022.PUBCHEM 000654022.mol (via Jmol)
000654039.b3lyp_6-31g(d).inp

000654039.b3lyp_6-31g(d).qchem.inp (generated)

000654039.b3lyp_6-31g(d).gjf (generated)

000654039.b3lyp_6-31g(d).firefly.inp (generated)

000654039.b3lyp_6-31g(d).smash.inp (generated)

000654039.b3lyp_6-31g(d).nwchem.inp (generated) 000654039.b3lyp_6-31g(d).log.xz 000654039.td-b3lyp_6-31g+(d).inp 000654039.td-b3lyp_6-31g+(d).log.xz

000654039.td-b3lyp_6-31+g(d).qchem.inp (generated)

000654039.td-b3lyp_6-31+g(d).gjf (generated)

000654039.td-b3lyp_6-31+g(d).firefly.inp (generated)

000654039.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000654039.mol 000654039.PUBCHEM 000654039.mol (via Jmol)
000654048.b3lyp_6-31g(d).inp

000654048.b3lyp_6-31g(d).qchem.inp (generated)

000654048.b3lyp_6-31g(d).gjf (generated)

000654048.b3lyp_6-31g(d).firefly.inp (generated)

000654048.b3lyp_6-31g(d).smash.inp (generated)

000654048.b3lyp_6-31g(d).nwchem.inp (generated) 000654048.b3lyp_6-31g(d).log.xz 000654048.mol 000654048.PUBCHEM 000654048.mol (via Jmol)
000654062.b3lyp_6-31g(d).inp

000654062.b3lyp_6-31g(d).qchem.inp (generated)

000654062.b3lyp_6-31g(d).gjf (generated)

000654062.b3lyp_6-31g(d).firefly.inp (generated)

000654062.b3lyp_6-31g(d).smash.inp (generated)

000654062.b3lyp_6-31g(d).nwchem.inp (generated) 000654062.b3lyp_6-31g(d).log.xz 000654062.mol 000654062.PUBCHEM 000654062.mol (via Jmol)
000654086.b3lyp_6-31g(d).inp

000654086.b3lyp_6-31g(d).qchem.inp (generated)

000654086.b3lyp_6-31g(d).gjf (generated)

000654086.b3lyp_6-31g(d).firefly.inp (generated)

000654086.b3lyp_6-31g(d).smash.inp (generated)

000654086.b3lyp_6-31g(d).nwchem.inp (generated) 000654086.b3lyp_6-31g(d).log.xz 000654086.td-b3lyp_6-31g+(d).inp 000654086.td-b3lyp_6-31g+(d).log.xz

000654086.td-b3lyp_6-31+g(d).qchem.inp (generated)

000654086.td-b3lyp_6-31+g(d).gjf (generated)

000654086.td-b3lyp_6-31+g(d).firefly.inp (generated)

000654086.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000654086.mol 000654086.PUBCHEM 000654086.mol (via Jmol)
000654089.b3lyp_6-31g(d).inp

000654089.b3lyp_6-31g(d).qchem.inp (generated)

000654089.b3lyp_6-31g(d).gjf (generated)

000654089.b3lyp_6-31g(d).firefly.inp (generated)

000654089.b3lyp_6-31g(d).smash.inp (generated)

000654089.b3lyp_6-31g(d).nwchem.inp (generated) 000654089.b3lyp_6-31g(d).log.xz 000654089.td-b3lyp_6-31g+(d).inp 000654089.td-b3lyp_6-31g+(d).log.xz

000654089.td-b3lyp_6-31+g(d).qchem.inp (generated)

000654089.td-b3lyp_6-31+g(d).gjf (generated)

000654089.td-b3lyp_6-31+g(d).firefly.inp (generated)

000654089.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000654089.mol 000654089.PUBCHEM 000654089.mol (via Jmol)
000654095.b3lyp_6-31g(d).inp

000654095.b3lyp_6-31g(d).qchem.inp (generated)

000654095.b3lyp_6-31g(d).gjf (generated)

000654095.b3lyp_6-31g(d).firefly.inp (generated)

000654095.b3lyp_6-31g(d).smash.inp (generated)

000654095.b3lyp_6-31g(d).nwchem.inp (generated) 000654095.b3lyp_6-31g(d).log.xz 000654095.td-b3lyp_6-31g+(d).inp 000654095.td-b3lyp_6-31g+(d).log.xz

000654095.td-b3lyp_6-31+g(d).qchem.inp (generated)

000654095.td-b3lyp_6-31+g(d).gjf (generated)

000654095.td-b3lyp_6-31+g(d).firefly.inp (generated)

000654095.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000654095.mol 000654095.PUBCHEM 000654095.mol (via Jmol)
000654129.b3lyp_6-31g(d).inp

000654129.b3lyp_6-31g(d).qchem.inp (generated)

000654129.b3lyp_6-31g(d).gjf (generated)

000654129.b3lyp_6-31g(d).firefly.inp (generated)

000654129.b3lyp_6-31g(d).smash.inp (generated)

000654129.b3lyp_6-31g(d).nwchem.inp (generated) 000654129.b3lyp_6-31g(d).log.xz 000654129.mol 000654129.PUBCHEM 000654129.mol (via Jmol)
000654148.b3lyp_6-31g(d).inp

000654148.b3lyp_6-31g(d).qchem.inp (generated)

000654148.b3lyp_6-31g(d).gjf (generated)

000654148.b3lyp_6-31g(d).firefly.inp (generated)

000654148.b3lyp_6-31g(d).smash.inp (generated)

000654148.b3lyp_6-31g(d).nwchem.inp (generated) 000654148.b3lyp_6-31g(d).log.xz 000654148.td-b3lyp_6-31g+(d).inp 000654148.td-b3lyp_6-31g+(d).log.xz

000654148.td-b3lyp_6-31+g(d).qchem.inp (generated)

000654148.td-b3lyp_6-31+g(d).gjf (generated)

000654148.td-b3lyp_6-31+g(d).firefly.inp (generated)

000654148.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000654148.mol 000654148.PUBCHEM 000654148.mol (via Jmol)
000654150.b3lyp_6-31g(d).inp

000654150.b3lyp_6-31g(d).qchem.inp (generated)

000654150.b3lyp_6-31g(d).gjf (generated)

000654150.b3lyp_6-31g(d).firefly.inp (generated)

000654150.b3lyp_6-31g(d).smash.inp (generated)

000654150.b3lyp_6-31g(d).nwchem.inp (generated) 000654150.b3lyp_6-31g(d).log.xz 000654150.td-b3lyp_6-31g+(d).inp 000654150.td-b3lyp_6-31g+(d).log.xz

000654150.td-b3lyp_6-31+g(d).qchem.inp (generated)

000654150.td-b3lyp_6-31+g(d).gjf (generated)

000654150.td-b3lyp_6-31+g(d).firefly.inp (generated)

000654150.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000654150.mol 000654150.PUBCHEM 000654150.mol (via Jmol)
000654164.b3lyp_6-31g(d).inp

000654164.b3lyp_6-31g(d).qchem.inp (generated)

000654164.b3lyp_6-31g(d).gjf (generated)

000654164.b3lyp_6-31g(d).firefly.inp (generated)

000654164.b3lyp_6-31g(d).smash.inp (generated)

000654164.b3lyp_6-31g(d).nwchem.inp (generated) 000654164.b3lyp_6-31g(d).log.xz 000654164.mol 000654164.PUBCHEM 000654164.mol (via Jmol)
000654171.b3lyp_6-31g(d).inp

000654171.b3lyp_6-31g(d).qchem.inp (generated)

000654171.b3lyp_6-31g(d).gjf (generated)

000654171.b3lyp_6-31g(d).firefly.inp (generated)

000654171.b3lyp_6-31g(d).smash.inp (generated)

000654171.b3lyp_6-31g(d).nwchem.inp (generated) 000654171.b3lyp_6-31g(d).log.xz 000654171.td-b3lyp_6-31g+(d).inp 000654171.td-b3lyp_6-31g+(d).log.xz

000654171.td-b3lyp_6-31+g(d).qchem.inp (generated)

000654171.td-b3lyp_6-31+g(d).gjf (generated)

000654171.td-b3lyp_6-31+g(d).firefly.inp (generated)

000654171.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000654171.mol 000654171.PUBCHEM 000654171.mol (via Jmol)
000654213.b3lyp_6-31g(d).inp

000654213.b3lyp_6-31g(d).qchem.inp (generated)

000654213.b3lyp_6-31g(d).gjf (generated)

000654213.b3lyp_6-31g(d).firefly.inp (generated)

000654213.b3lyp_6-31g(d).smash.inp (generated)

000654213.b3lyp_6-31g(d).nwchem.inp (generated) 000654213.b3lyp_6-31g(d).log.xz 000654213.td-b3lyp_6-31g+(d).inp 000654213.td-b3lyp_6-31g+(d).log.xz

000654213.td-b3lyp_6-31+g(d).qchem.inp (generated)

000654213.td-b3lyp_6-31+g(d).gjf (generated)

000654213.td-b3lyp_6-31+g(d).firefly.inp (generated)

000654213.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000654213.mol 000654213.PUBCHEM 000654213.mol (via Jmol)
000654246.b3lyp_6-31g(d).inp

000654246.b3lyp_6-31g(d).qchem.inp (generated)

000654246.b3lyp_6-31g(d).gjf (generated)

000654246.b3lyp_6-31g(d).firefly.inp (generated)

000654246.b3lyp_6-31g(d).smash.inp (generated)

000654246.b3lyp_6-31g(d).nwchem.inp (generated) 000654246.b3lyp_6-31g(d).log.xz 000654246.mol 000654246.PUBCHEM 000654246.mol (via Jmol)
000654387.b3lyp_6-31g(d).inp

000654387.b3lyp_6-31g(d).qchem.inp (generated)

000654387.b3lyp_6-31g(d).gjf (generated)

000654387.b3lyp_6-31g(d).firefly.inp (generated)

000654387.b3lyp_6-31g(d).smash.inp (generated)

000654387.b3lyp_6-31g(d).nwchem.inp (generated) 000654387.b3lyp_6-31g(d).log.xz 000654387.td-b3lyp_6-31g+(d).inp 000654387.td-b3lyp_6-31g+(d).log.xz

000654387.td-b3lyp_6-31+g(d).qchem.inp (generated)

000654387.td-b3lyp_6-31+g(d).gjf (generated)

000654387.td-b3lyp_6-31+g(d).firefly.inp (generated)

000654387.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000654387.mol 000654387.PUBCHEM 000654387.mol (via Jmol)
000654436.b3lyp_6-31g(d).inp

000654436.b3lyp_6-31g(d).qchem.inp (generated)

000654436.b3lyp_6-31g(d).gjf (generated)

000654436.b3lyp_6-31g(d).firefly.inp (generated)

000654436.b3lyp_6-31g(d).smash.inp (generated)

000654436.b3lyp_6-31g(d).nwchem.inp (generated) 000654436.b3lyp_6-31g(d).log.xz 000654436.td-b3lyp_6-31g+(d).inp 000654436.td-b3lyp_6-31g+(d).log.xz

000654436.td-b3lyp_6-31+g(d).qchem.inp (generated)

000654436.td-b3lyp_6-31+g(d).gjf (generated)

000654436.td-b3lyp_6-31+g(d).firefly.inp (generated)

000654436.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000654436.mol 000654436.PUBCHEM 000654436.mol (via Jmol)
000654440.b3lyp_6-31g(d).inp

000654440.b3lyp_6-31g(d).qchem.inp (generated)

000654440.b3lyp_6-31g(d).gjf (generated)

000654440.b3lyp_6-31g(d).firefly.inp (generated)

000654440.b3lyp_6-31g(d).smash.inp (generated)

000654440.b3lyp_6-31g(d).nwchem.inp (generated) 000654440.b3lyp_6-31g(d).log.xz 000654440.mol 000654440.PUBCHEM 000654440.mol (via Jmol)
000654472.b3lyp_6-31g(d).inp

000654472.b3lyp_6-31g(d).qchem.inp (generated)

000654472.b3lyp_6-31g(d).gjf (generated)

000654472.b3lyp_6-31g(d).firefly.inp (generated)

000654472.b3lyp_6-31g(d).smash.inp (generated)

000654472.b3lyp_6-31g(d).nwchem.inp (generated) 000654472.b3lyp_6-31g(d).log.xz 000654472.td-b3lyp_6-31g+(d).inp 000654472.td-b3lyp_6-31g+(d).log.xz

000654472.td-b3lyp_6-31+g(d).qchem.inp (generated)

000654472.td-b3lyp_6-31+g(d).gjf (generated)

000654472.td-b3lyp_6-31+g(d).firefly.inp (generated)

000654472.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000654472.mol 000654472.PUBCHEM 000654472.mol (via Jmol)
000654474.b3lyp_6-31g(d).inp

000654474.b3lyp_6-31g(d).qchem.inp (generated)

000654474.b3lyp_6-31g(d).gjf (generated)

000654474.b3lyp_6-31g(d).firefly.inp (generated)

000654474.b3lyp_6-31g(d).smash.inp (generated)

000654474.b3lyp_6-31g(d).nwchem.inp (generated) 000654474.b3lyp_6-31g(d).log.xz 000654474.td-b3lyp_6-31g+(d).inp 000654474.td-b3lyp_6-31g+(d).log.xz

000654474.td-b3lyp_6-31+g(d).qchem.inp (generated)

000654474.td-b3lyp_6-31+g(d).gjf (generated)

000654474.td-b3lyp_6-31+g(d).firefly.inp (generated)

000654474.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000654474.mol 000654474.PUBCHEM 000654474.mol (via Jmol)
000654478.b3lyp_6-31g(d).inp

000654478.b3lyp_6-31g(d).qchem.inp (generated)

000654478.b3lyp_6-31g(d).gjf (generated)

000654478.b3lyp_6-31g(d).firefly.inp (generated)

000654478.b3lyp_6-31g(d).smash.inp (generated)

000654478.b3lyp_6-31g(d).nwchem.inp (generated) 000654478.b3lyp_6-31g(d).log.xz 000654478.mol 000654478.PUBCHEM 000654478.mol (via Jmol)
000654521.b3lyp_6-31g(d).inp

000654521.b3lyp_6-31g(d).qchem.inp (generated)

000654521.b3lyp_6-31g(d).gjf (generated)

000654521.b3lyp_6-31g(d).firefly.inp (generated)

000654521.b3lyp_6-31g(d).smash.inp (generated)

000654521.b3lyp_6-31g(d).nwchem.inp (generated) 000654521.b3lyp_6-31g(d).log.xz 000654521.td-b3lyp_6-31g+(d).inp 000654521.td-b3lyp_6-31g+(d).log.xz

000654521.td-b3lyp_6-31+g(d).qchem.inp (generated)

000654521.td-b3lyp_6-31+g(d).gjf (generated)

000654521.td-b3lyp_6-31+g(d).firefly.inp (generated)

000654521.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000654521.mol 000654521.PUBCHEM 000654521.mol (via Jmol)
000654527.b3lyp_6-31g(d).inp

000654527.b3lyp_6-31g(d).qchem.inp (generated)

000654527.b3lyp_6-31g(d).gjf (generated)

000654527.b3lyp_6-31g(d).firefly.inp (generated)

000654527.b3lyp_6-31g(d).smash.inp (generated)

000654527.b3lyp_6-31g(d).nwchem.inp (generated) 000654527.b3lyp_6-31g(d).log.xz 000654527.td-b3lyp_6-31g+(d).inp 000654527.td-b3lyp_6-31g+(d).log.xz

000654527.td-b3lyp_6-31+g(d).qchem.inp (generated)

000654527.td-b3lyp_6-31+g(d).gjf (generated)

000654527.td-b3lyp_6-31+g(d).firefly.inp (generated)

000654527.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000654527.mol 000654527.PUBCHEM 000654527.mol (via Jmol)
000654542.b3lyp_6-31g(d).inp

000654542.b3lyp_6-31g(d).qchem.inp (generated)

000654542.b3lyp_6-31g(d).gjf (generated)

000654542.b3lyp_6-31g(d).firefly.inp (generated)

000654542.b3lyp_6-31g(d).smash.inp (generated)

000654542.b3lyp_6-31g(d).nwchem.inp (generated) 000654542.b3lyp_6-31g(d).log.xz 000654542.td-b3lyp_6-31g+(d).inp 000654542.td-b3lyp_6-31g+(d).log.xz

000654542.td-b3lyp_6-31+g(d).qchem.inp (generated)

000654542.td-b3lyp_6-31+g(d).gjf (generated)

000654542.td-b3lyp_6-31+g(d).firefly.inp (generated)

000654542.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000654542.mol 000654542.PUBCHEM 000654542.mol (via Jmol)
000654565.b3lyp_6-31g(d).inp

000654565.b3lyp_6-31g(d).qchem.inp (generated)

000654565.b3lyp_6-31g(d).gjf (generated)

000654565.b3lyp_6-31g(d).firefly.inp (generated)

000654565.b3lyp_6-31g(d).smash.inp (generated)

000654565.b3lyp_6-31g(d).nwchem.inp (generated) 000654565.b3lyp_6-31g(d).log.xz 000654565.mol 000654565.PUBCHEM 000654565.mol (via Jmol)
000654582.b3lyp_6-31g(d).inp

000654582.b3lyp_6-31g(d).qchem.inp (generated)

000654582.b3lyp_6-31g(d).gjf (generated)

000654582.b3lyp_6-31g(d).firefly.inp (generated)

000654582.b3lyp_6-31g(d).smash.inp (generated)

000654582.b3lyp_6-31g(d).nwchem.inp (generated) 000654582.b3lyp_6-31g(d).log.xz 000654582.td-b3lyp_6-31g+(d).inp 000654582.td-b3lyp_6-31g+(d).log.xz

000654582.td-b3lyp_6-31+g(d).qchem.inp (generated)

000654582.td-b3lyp_6-31+g(d).gjf (generated)

000654582.td-b3lyp_6-31+g(d).firefly.inp (generated)

000654582.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000654582.mol 000654582.PUBCHEM 000654582.mol (via Jmol)
000654584.b3lyp_6-31g(d).inp

000654584.b3lyp_6-31g(d).qchem.inp (generated)

000654584.b3lyp_6-31g(d).gjf (generated)

000654584.b3lyp_6-31g(d).firefly.inp (generated)

000654584.b3lyp_6-31g(d).smash.inp (generated)

000654584.b3lyp_6-31g(d).nwchem.inp (generated) 000654584.b3lyp_6-31g(d).log.xz 000654584.td-b3lyp_6-31g+(d).inp 000654584.td-b3lyp_6-31g+(d).log.xz

000654584.td-b3lyp_6-31+g(d).qchem.inp (generated)

000654584.td-b3lyp_6-31+g(d).gjf (generated)

000654584.td-b3lyp_6-31+g(d).firefly.inp (generated)

000654584.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000654584.mol 000654584.PUBCHEM 000654584.mol (via Jmol)
000654601.b3lyp_6-31g(d).inp

000654601.b3lyp_6-31g(d).qchem.inp (generated)

000654601.b3lyp_6-31g(d).gjf (generated)

000654601.b3lyp_6-31g(d).firefly.inp (generated)

000654601.b3lyp_6-31g(d).smash.inp (generated)

000654601.b3lyp_6-31g(d).nwchem.inp (generated) 000654601.b3lyp_6-31g(d).log.xz 000654601.td-b3lyp_6-31g+(d).inp 000654601.td-b3lyp_6-31g+(d).log.xz

000654601.td-b3lyp_6-31+g(d).qchem.inp (generated)

000654601.td-b3lyp_6-31+g(d).gjf (generated)

000654601.td-b3lyp_6-31+g(d).firefly.inp (generated)

000654601.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000654601.mol 000654601.PUBCHEM 000654601.mol (via Jmol)
000654627.b3lyp_6-31g(d).inp

000654627.b3lyp_6-31g(d).qchem.inp (generated)

000654627.b3lyp_6-31g(d).gjf (generated)

000654627.b3lyp_6-31g(d).firefly.inp (generated)

000654627.b3lyp_6-31g(d).smash.inp (generated)

000654627.b3lyp_6-31g(d).nwchem.inp (generated) 000654627.b3lyp_6-31g(d).log.xz 000654627.td-b3lyp_6-31g+(d).inp 000654627.td-b3lyp_6-31g+(d).log.xz

000654627.td-b3lyp_6-31+g(d).qchem.inp (generated)

000654627.td-b3lyp_6-31+g(d).gjf (generated)

000654627.td-b3lyp_6-31+g(d).firefly.inp (generated)

000654627.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000654627.mol 000654627.PUBCHEM 000654627.mol (via Jmol)
000654655.b3lyp_6-31g(d).inp

000654655.b3lyp_6-31g(d).qchem.inp (generated)

000654655.b3lyp_6-31g(d).gjf (generated)

000654655.b3lyp_6-31g(d).firefly.inp (generated)

000654655.b3lyp_6-31g(d).smash.inp (generated)

000654655.b3lyp_6-31g(d).nwchem.inp (generated) 000654655.b3lyp_6-31g(d).log.xz 000654655.mol 000654655.PUBCHEM 000654655.mol (via Jmol)
000654661.b3lyp_6-31g(d).inp

000654661.b3lyp_6-31g(d).qchem.inp (generated)

000654661.b3lyp_6-31g(d).gjf (generated)

000654661.b3lyp_6-31g(d).firefly.inp (generated)

000654661.b3lyp_6-31g(d).smash.inp (generated)

000654661.b3lyp_6-31g(d).nwchem.inp (generated) 000654661.b3lyp_6-31g(d).log.xz 000654661.td-b3lyp_6-31g+(d).inp 000654661.td-b3lyp_6-31g+(d).log.xz

000654661.td-b3lyp_6-31+g(d).qchem.inp (generated)

000654661.td-b3lyp_6-31+g(d).gjf (generated)

000654661.td-b3lyp_6-31+g(d).firefly.inp (generated)

000654661.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000654661.mol 000654661.PUBCHEM 000654661.mol (via Jmol)
000654663.b3lyp_6-31g(d).inp

000654663.b3lyp_6-31g(d).qchem.inp (generated)

000654663.b3lyp_6-31g(d).gjf (generated)

000654663.b3lyp_6-31g(d).firefly.inp (generated)

000654663.b3lyp_6-31g(d).smash.inp (generated)

000654663.b3lyp_6-31g(d).nwchem.inp (generated) 000654663.b3lyp_6-31g(d).log.xz 000654663.td-b3lyp_6-31g+(d).inp 000654663.td-b3lyp_6-31g+(d).log.xz

000654663.td-b3lyp_6-31+g(d).qchem.inp (generated)

000654663.td-b3lyp_6-31+g(d).gjf (generated)

000654663.td-b3lyp_6-31+g(d).firefly.inp (generated)

000654663.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000654663.mol 000654663.PUBCHEM 000654663.mol (via Jmol)
000654667.b3lyp_6-31g(d).inp

000654667.b3lyp_6-31g(d).qchem.inp (generated)

000654667.b3lyp_6-31g(d).gjf (generated)

000654667.b3lyp_6-31g(d).firefly.inp (generated)

000654667.b3lyp_6-31g(d).smash.inp (generated)

000654667.b3lyp_6-31g(d).nwchem.inp (generated) 000654667.b3lyp_6-31g(d).log.xz 000654667.td-b3lyp_6-31g+(d).inp 000654667.td-b3lyp_6-31g+(d).log.xz

000654667.td-b3lyp_6-31+g(d).qchem.inp (generated)

000654667.td-b3lyp_6-31+g(d).gjf (generated)

000654667.td-b3lyp_6-31+g(d).firefly.inp (generated)

000654667.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000654667.mol 000654667.PUBCHEM 000654667.mol (via Jmol)
000654702.b3lyp_6-31g(d).inp

000654702.b3lyp_6-31g(d).qchem.inp (generated)

000654702.b3lyp_6-31g(d).gjf (generated)

000654702.b3lyp_6-31g(d).firefly.inp (generated)

000654702.b3lyp_6-31g(d).smash.inp (generated)

000654702.b3lyp_6-31g(d).nwchem.inp (generated) 000654702.b3lyp_6-31g(d).log.xz 000654702.td-b3lyp_6-31g+(d).inp 000654702.td-b3lyp_6-31g+(d).log.xz

000654702.td-b3lyp_6-31+g(d).qchem.inp (generated)

000654702.td-b3lyp_6-31+g(d).gjf (generated)

000654702.td-b3lyp_6-31+g(d).firefly.inp (generated)

000654702.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000654702.mol 000654702.PUBCHEM 000654702.mol (via Jmol)
000654705.b3lyp_6-31g(d).inp

000654705.b3lyp_6-31g(d).qchem.inp (generated)

000654705.b3lyp_6-31g(d).gjf (generated)

000654705.b3lyp_6-31g(d).firefly.inp (generated)

000654705.b3lyp_6-31g(d).smash.inp (generated)

000654705.b3lyp_6-31g(d).nwchem.inp (generated) 000654705.b3lyp_6-31g(d).log.xz 000654705.td-b3lyp_6-31g+(d).inp 000654705.td-b3lyp_6-31g+(d).log.xz

000654705.td-b3lyp_6-31+g(d).qchem.inp (generated)

000654705.td-b3lyp_6-31+g(d).gjf (generated)

000654705.td-b3lyp_6-31+g(d).firefly.inp (generated)

000654705.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000654705.mol 000654705.PUBCHEM 000654705.mol (via Jmol)
000654747.b3lyp_6-31g(d).inp

000654747.b3lyp_6-31g(d).qchem.inp (generated)

000654747.b3lyp_6-31g(d).gjf (generated)

000654747.b3lyp_6-31g(d).firefly.inp (generated)

000654747.b3lyp_6-31g(d).smash.inp (generated)

000654747.b3lyp_6-31g(d).nwchem.inp (generated) 000654747.b3lyp_6-31g(d).log.xz 000654747.td-b3lyp_6-31g+(d).inp 000654747.td-b3lyp_6-31g+(d).log.xz

000654747.td-b3lyp_6-31+g(d).qchem.inp (generated)

000654747.td-b3lyp_6-31+g(d).gjf (generated)

000654747.td-b3lyp_6-31+g(d).firefly.inp (generated)

000654747.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000654747.mol 000654747.PUBCHEM 000654747.mol (via Jmol)
000654792.b3lyp_6-31g(d).inp

000654792.b3lyp_6-31g(d).qchem.inp (generated)

000654792.b3lyp_6-31g(d).gjf (generated)

000654792.b3lyp_6-31g(d).firefly.inp (generated)

000654792.b3lyp_6-31g(d).smash.inp (generated)

000654792.b3lyp_6-31g(d).nwchem.inp (generated) 000654792.b3lyp_6-31g(d).log.xz 000654792.td-b3lyp_6-31g+(d).inp 000654792.td-b3lyp_6-31g+(d).log.xz

000654792.td-b3lyp_6-31+g(d).qchem.inp (generated)

000654792.td-b3lyp_6-31+g(d).gjf (generated)

000654792.td-b3lyp_6-31+g(d).firefly.inp (generated)

000654792.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000654792.mol 000654792.PUBCHEM 000654792.mol (via Jmol)
000654809.b3lyp_6-31g(d).inp

000654809.b3lyp_6-31g(d).qchem.inp (generated)

000654809.b3lyp_6-31g(d).gjf (generated)

000654809.b3lyp_6-31g(d).firefly.inp (generated)

000654809.b3lyp_6-31g(d).smash.inp (generated)

000654809.b3lyp_6-31g(d).nwchem.inp (generated) 000654809.b3lyp_6-31g(d).log.xz 000654809.mol 000654809.PUBCHEM 000654809.mol (via Jmol)
000654908.b3lyp_6-31g(d).inp

000654908.b3lyp_6-31g(d).qchem.inp (generated)

000654908.b3lyp_6-31g(d).gjf (generated)

000654908.b3lyp_6-31g(d).firefly.inp (generated)

000654908.b3lyp_6-31g(d).smash.inp (generated)

000654908.b3lyp_6-31g(d).nwchem.inp (generated) 000654908.b3lyp_6-31g(d).log.xz 000654908.td-b3lyp_6-31g+(d).inp 000654908.td-b3lyp_6-31g+(d).log.xz

000654908.td-b3lyp_6-31+g(d).qchem.inp (generated)

000654908.td-b3lyp_6-31+g(d).gjf (generated)

000654908.td-b3lyp_6-31+g(d).firefly.inp (generated)

000654908.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000654908.mol 000654908.PUBCHEM 000654908.mol (via Jmol)
000654923.b3lyp_6-31g(d).inp

000654923.b3lyp_6-31g(d).qchem.inp (generated)

000654923.b3lyp_6-31g(d).gjf (generated)

000654923.b3lyp_6-31g(d).firefly.inp (generated)

000654923.b3lyp_6-31g(d).smash.inp (generated)

000654923.b3lyp_6-31g(d).nwchem.inp (generated) 000654923.b3lyp_6-31g(d).log.xz 000654923.td-b3lyp_6-31g+(d).inp 000654923.td-b3lyp_6-31g+(d).log.xz

000654923.td-b3lyp_6-31+g(d).qchem.inp (generated)

000654923.td-b3lyp_6-31+g(d).gjf (generated)

000654923.td-b3lyp_6-31+g(d).firefly.inp (generated)

000654923.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000654923.mol 000654923.PUBCHEM 000654923.mol (via Jmol)
000654924.b3lyp_6-31g(d).inp

000654924.b3lyp_6-31g(d).qchem.inp (generated)

000654924.b3lyp_6-31g(d).gjf (generated)

000654924.b3lyp_6-31g(d).firefly.inp (generated)

000654924.b3lyp_6-31g(d).smash.inp (generated)

000654924.b3lyp_6-31g(d).nwchem.inp (generated) 000654924.b3lyp_6-31g(d).log.xz 000654924.td-b3lyp_6-31g+(d).inp 000654924.td-b3lyp_6-31g+(d).log.xz

000654924.td-b3lyp_6-31+g(d).qchem.inp (generated)

000654924.td-b3lyp_6-31+g(d).gjf (generated)

000654924.td-b3lyp_6-31+g(d).firefly.inp (generated)

000654924.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000654924.mol 000654924.PUBCHEM 000654924.mol (via Jmol)
000654976.b3lyp_6-31g(d).inp

000654976.b3lyp_6-31g(d).qchem.inp (generated)

000654976.b3lyp_6-31g(d).gjf (generated)

000654976.b3lyp_6-31g(d).firefly.inp (generated)

000654976.b3lyp_6-31g(d).smash.inp (generated)

000654976.b3lyp_6-31g(d).nwchem.inp (generated) 000654976.b3lyp_6-31g(d).log.xz 000654976.td-b3lyp_6-31g+(d).inp 000654976.td-b3lyp_6-31g+(d).log.xz

000654976.td-b3lyp_6-31+g(d).qchem.inp (generated)

000654976.td-b3lyp_6-31+g(d).gjf (generated)

000654976.td-b3lyp_6-31+g(d).firefly.inp (generated)

000654976.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000654976.mol 000654976.PUBCHEM 000654976.mol (via Jmol)
000654980.b3lyp_6-31g(d).inp

000654980.b3lyp_6-31g(d).qchem.inp (generated)

000654980.b3lyp_6-31g(d).gjf (generated)

000654980.b3lyp_6-31g(d).firefly.inp (generated)

000654980.b3lyp_6-31g(d).smash.inp (generated)

000654980.b3lyp_6-31g(d).nwchem.inp (generated) 000654980.b3lyp_6-31g(d).log.xz 000654980.mol 000654980.PUBCHEM 000654980.mol (via Jmol)
000654997.b3lyp_6-31g(d).inp

000654997.b3lyp_6-31g(d).qchem.inp (generated)

000654997.b3lyp_6-31g(d).gjf (generated)

000654997.b3lyp_6-31g(d).firefly.inp (generated)

000654997.b3lyp_6-31g(d).smash.inp (generated)

000654997.b3lyp_6-31g(d).nwchem.inp (generated) 000654997.b3lyp_6-31g(d).log.xz 000654997.td-b3lyp_6-31g+(d).inp 000654997.td-b3lyp_6-31g+(d).log.xz

000654997.td-b3lyp_6-31+g(d).qchem.inp (generated)

000654997.td-b3lyp_6-31+g(d).gjf (generated)

000654997.td-b3lyp_6-31+g(d).firefly.inp (generated)

000654997.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000654997.mol 000654997.PUBCHEM 000654997.mol (via Jmol)
000655020.b3lyp_6-31g(d).inp

000655020.b3lyp_6-31g(d).qchem.inp (generated)

000655020.b3lyp_6-31g(d).gjf (generated)

000655020.b3lyp_6-31g(d).firefly.inp (generated)

000655020.b3lyp_6-31g(d).smash.inp (generated)

000655020.b3lyp_6-31g(d).nwchem.inp (generated) 000655020.b3lyp_6-31g(d).log.xz 000655020.td-b3lyp_6-31g+(d).inp 000655020.td-b3lyp_6-31g+(d).log.xz

000655020.td-b3lyp_6-31+g(d).qchem.inp (generated)

000655020.td-b3lyp_6-31+g(d).gjf (generated)

000655020.td-b3lyp_6-31+g(d).firefly.inp (generated)

000655020.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000655020.mol 000655020.PUBCHEM 000655020.mol (via Jmol)
000655050.b3lyp_6-31g(d).inp

000655050.b3lyp_6-31g(d).qchem.inp (generated)

000655050.b3lyp_6-31g(d).gjf (generated)

000655050.b3lyp_6-31g(d).firefly.inp (generated)

000655050.b3lyp_6-31g(d).smash.inp (generated)

000655050.b3lyp_6-31g(d).nwchem.inp (generated) 000655050.b3lyp_6-31g(d).log.xz 000655050.td-b3lyp_6-31g+(d).inp 000655050.td-b3lyp_6-31g+(d).log.xz

000655050.td-b3lyp_6-31+g(d).qchem.inp (generated)

000655050.td-b3lyp_6-31+g(d).gjf (generated)

000655050.td-b3lyp_6-31+g(d).firefly.inp (generated)

000655050.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000655050.mol 000655050.PUBCHEM 000655050.mol (via Jmol)
000655106.b3lyp_6-31g(d).inp

000655106.b3lyp_6-31g(d).qchem.inp (generated)

000655106.b3lyp_6-31g(d).gjf (generated)

000655106.b3lyp_6-31g(d).firefly.inp (generated)

000655106.b3lyp_6-31g(d).smash.inp (generated)

000655106.b3lyp_6-31g(d).nwchem.inp (generated) 000655106.b3lyp_6-31g(d).log.xz 000655106.mol 000655106.PUBCHEM 000655106.mol (via Jmol)
000655114.b3lyp_6-31g(d).inp

000655114.b3lyp_6-31g(d).qchem.inp (generated)

000655114.b3lyp_6-31g(d).gjf (generated)

000655114.b3lyp_6-31g(d).firefly.inp (generated)

000655114.b3lyp_6-31g(d).smash.inp (generated)

000655114.b3lyp_6-31g(d).nwchem.inp (generated) 000655114.b3lyp_6-31g(d).log.xz 000655114.td-b3lyp_6-31g+(d).inp 000655114.td-b3lyp_6-31g+(d).log.xz

000655114.td-b3lyp_6-31+g(d).qchem.inp (generated)

000655114.td-b3lyp_6-31+g(d).gjf (generated)

000655114.td-b3lyp_6-31+g(d).firefly.inp (generated)

000655114.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000655114.mol 000655114.PUBCHEM 000655114.mol (via Jmol)
000655167.b3lyp_6-31g(d).inp

000655167.b3lyp_6-31g(d).qchem.inp (generated)

000655167.b3lyp_6-31g(d).gjf (generated)

000655167.b3lyp_6-31g(d).firefly.inp (generated)

000655167.b3lyp_6-31g(d).smash.inp (generated)

000655167.b3lyp_6-31g(d).nwchem.inp (generated) 000655167.b3lyp_6-31g(d).log.xz 000655167.td-b3lyp_6-31g+(d).inp 000655167.td-b3lyp_6-31g+(d).log.xz

000655167.td-b3lyp_6-31+g(d).qchem.inp (generated)

000655167.td-b3lyp_6-31+g(d).gjf (generated)

000655167.td-b3lyp_6-31+g(d).firefly.inp (generated)

000655167.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000655167.mol 000655167.PUBCHEM 000655167.mol (via Jmol)
000655176.b3lyp_6-31g(d).inp

000655176.b3lyp_6-31g(d).qchem.inp (generated)

000655176.b3lyp_6-31g(d).gjf (generated)

000655176.b3lyp_6-31g(d).firefly.inp (generated)

000655176.b3lyp_6-31g(d).smash.inp (generated)

000655176.b3lyp_6-31g(d).nwchem.inp (generated) 000655176.b3lyp_6-31g(d).log.xz 000655176.td-b3lyp_6-31g+(d).inp 000655176.td-b3lyp_6-31g+(d).log.xz

000655176.td-b3lyp_6-31+g(d).qchem.inp (generated)

000655176.td-b3lyp_6-31+g(d).gjf (generated)

000655176.td-b3lyp_6-31+g(d).firefly.inp (generated)

000655176.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000655176.mol 000655176.PUBCHEM 000655176.mol (via Jmol)
000655179.b3lyp_6-31g(d).inp

000655179.b3lyp_6-31g(d).qchem.inp (generated)

000655179.b3lyp_6-31g(d).gjf (generated)

000655179.b3lyp_6-31g(d).firefly.inp (generated)

000655179.b3lyp_6-31g(d).smash.inp (generated)

000655179.b3lyp_6-31g(d).nwchem.inp (generated) 000655179.b3lyp_6-31g(d).log.xz 000655179.td-b3lyp_6-31g+(d).inp 000655179.td-b3lyp_6-31g+(d).log.xz

000655179.td-b3lyp_6-31+g(d).qchem.inp (generated)

000655179.td-b3lyp_6-31+g(d).gjf (generated)

000655179.td-b3lyp_6-31+g(d).firefly.inp (generated)

000655179.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000655179.mol 000655179.PUBCHEM 000655179.mol (via Jmol)
000655188.b3lyp_6-31g(d).inp

000655188.b3lyp_6-31g(d).qchem.inp (generated)

000655188.b3lyp_6-31g(d).gjf (generated)

000655188.b3lyp_6-31g(d).firefly.inp (generated)

000655188.b3lyp_6-31g(d).smash.inp (generated)

000655188.b3lyp_6-31g(d).nwchem.inp (generated) 000655188.b3lyp_6-31g(d).log.xz 000655188.td-b3lyp_6-31g+(d).inp 000655188.td-b3lyp_6-31g+(d).log.xz

000655188.td-b3lyp_6-31+g(d).qchem.inp (generated)

000655188.td-b3lyp_6-31+g(d).gjf (generated)

000655188.td-b3lyp_6-31+g(d).firefly.inp (generated)

000655188.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000655188.mol 000655188.PUBCHEM 000655188.mol (via Jmol)
000655202.b3lyp_6-31g(d).inp

000655202.b3lyp_6-31g(d).qchem.inp (generated)

000655202.b3lyp_6-31g(d).gjf (generated)

000655202.b3lyp_6-31g(d).firefly.inp (generated)

000655202.b3lyp_6-31g(d).smash.inp (generated)

000655202.b3lyp_6-31g(d).nwchem.inp (generated) 000655202.b3lyp_6-31g(d).log.xz 000655202.mol 000655202.PUBCHEM 000655202.mol (via Jmol)
000655209.b3lyp_6-31g(d).inp

000655209.b3lyp_6-31g(d).qchem.inp (generated)

000655209.b3lyp_6-31g(d).gjf (generated)

000655209.b3lyp_6-31g(d).firefly.inp (generated)

000655209.b3lyp_6-31g(d).smash.inp (generated)

000655209.b3lyp_6-31g(d).nwchem.inp (generated) 000655209.b3lyp_6-31g(d).log.xz 000655209.td-b3lyp_6-31g+(d).inp 000655209.td-b3lyp_6-31g+(d).log.xz

000655209.td-b3lyp_6-31+g(d).qchem.inp (generated)

000655209.td-b3lyp_6-31+g(d).gjf (generated)

000655209.td-b3lyp_6-31+g(d).firefly.inp (generated)

000655209.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000655209.mol 000655209.PUBCHEM 000655209.mol (via Jmol)
000655313.b3lyp_6-31g(d).inp

000655313.b3lyp_6-31g(d).qchem.inp (generated)

000655313.b3lyp_6-31g(d).gjf (generated)

000655313.b3lyp_6-31g(d).firefly.inp (generated)

000655313.b3lyp_6-31g(d).smash.inp (generated)

000655313.b3lyp_6-31g(d).nwchem.inp (generated) 000655313.b3lyp_6-31g(d).log.xz 000655313.td-b3lyp_6-31g+(d).inp 000655313.td-b3lyp_6-31g+(d).log.xz

000655313.td-b3lyp_6-31+g(d).qchem.inp (generated)

000655313.td-b3lyp_6-31+g(d).gjf (generated)

000655313.td-b3lyp_6-31+g(d).firefly.inp (generated)

000655313.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000655313.mol 000655313.PUBCHEM 000655313.mol (via Jmol)
000655331.b3lyp_6-31g(d).inp

000655331.b3lyp_6-31g(d).qchem.inp (generated)

000655331.b3lyp_6-31g(d).gjf (generated)

000655331.b3lyp_6-31g(d).firefly.inp (generated)

000655331.b3lyp_6-31g(d).smash.inp (generated)

000655331.b3lyp_6-31g(d).nwchem.inp (generated) 000655331.b3lyp_6-31g(d).log.xz 000655331.td-b3lyp_6-31g+(d).inp 000655331.td-b3lyp_6-31g+(d).log.xz

000655331.td-b3lyp_6-31+g(d).qchem.inp (generated)

000655331.td-b3lyp_6-31+g(d).gjf (generated)

000655331.td-b3lyp_6-31+g(d).firefly.inp (generated)

000655331.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000655331.mol 000655331.PUBCHEM 000655331.mol (via Jmol)
000655343.b3lyp_6-31g(d).inp

000655343.b3lyp_6-31g(d).qchem.inp (generated)

000655343.b3lyp_6-31g(d).gjf (generated)

000655343.b3lyp_6-31g(d).firefly.inp (generated)

000655343.b3lyp_6-31g(d).smash.inp (generated)

000655343.b3lyp_6-31g(d).nwchem.inp (generated) 000655343.b3lyp_6-31g(d).log.xz 000655343.td-b3lyp_6-31g+(d).inp 000655343.td-b3lyp_6-31g+(d).log.xz

000655343.td-b3lyp_6-31+g(d).qchem.inp (generated)

000655343.td-b3lyp_6-31+g(d).gjf (generated)

000655343.td-b3lyp_6-31+g(d).firefly.inp (generated)

000655343.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000655343.mol 000655343.PUBCHEM 000655343.mol (via Jmol)
000655378.b3lyp_6-31g(d).inp

000655378.b3lyp_6-31g(d).qchem.inp (generated)

000655378.b3lyp_6-31g(d).gjf (generated)

000655378.b3lyp_6-31g(d).firefly.inp (generated)

000655378.b3lyp_6-31g(d).smash.inp (generated)

000655378.b3lyp_6-31g(d).nwchem.inp (generated) 000655378.b3lyp_6-31g(d).log.xz 000655378.mol 000655378.PUBCHEM 000655378.mol (via Jmol)
000655428.b3lyp_6-31g(d).inp

000655428.b3lyp_6-31g(d).qchem.inp (generated)

000655428.b3lyp_6-31g(d).gjf (generated)

000655428.b3lyp_6-31g(d).firefly.inp (generated)

000655428.b3lyp_6-31g(d).smash.inp (generated)

000655428.b3lyp_6-31g(d).nwchem.inp (generated) 000655428.b3lyp_6-31g(d).log.xz 000655428.td-b3lyp_6-31g+(d).inp 000655428.td-b3lyp_6-31g+(d).log.xz

000655428.td-b3lyp_6-31+g(d).qchem.inp (generated)

000655428.td-b3lyp_6-31+g(d).gjf (generated)

000655428.td-b3lyp_6-31+g(d).firefly.inp (generated)

000655428.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000655428.mol 000655428.PUBCHEM 000655428.mol (via Jmol)
000655445.b3lyp_6-31g(d).inp

000655445.b3lyp_6-31g(d).qchem.inp (generated)

000655445.b3lyp_6-31g(d).gjf (generated)

000655445.b3lyp_6-31g(d).firefly.inp (generated)

000655445.b3lyp_6-31g(d).smash.inp (generated)

000655445.b3lyp_6-31g(d).nwchem.inp (generated) 000655445.b3lyp_6-31g(d).log.xz 000655445.td-b3lyp_6-31g+(d).inp 000655445.td-b3lyp_6-31g+(d).log.xz

000655445.td-b3lyp_6-31+g(d).qchem.inp (generated)

000655445.td-b3lyp_6-31+g(d).gjf (generated)

000655445.td-b3lyp_6-31+g(d).firefly.inp (generated)

000655445.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000655445.mol 000655445.PUBCHEM 000655445.mol (via Jmol)
000655447.b3lyp_6-31g(d).inp

000655447.b3lyp_6-31g(d).qchem.inp (generated)

000655447.b3lyp_6-31g(d).gjf (generated)

000655447.b3lyp_6-31g(d).firefly.inp (generated)

000655447.b3lyp_6-31g(d).smash.inp (generated)

000655447.b3lyp_6-31g(d).nwchem.inp (generated) 000655447.b3lyp_6-31g(d).log.xz 000655447.td-b3lyp_6-31g+(d).inp 000655447.td-b3lyp_6-31g+(d).log.xz

000655447.td-b3lyp_6-31+g(d).qchem.inp (generated)

000655447.td-b3lyp_6-31+g(d).gjf (generated)

000655447.td-b3lyp_6-31+g(d).firefly.inp (generated)

000655447.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000655447.mol 000655447.PUBCHEM 000655447.mol (via Jmol)
000655456.b3lyp_6-31g(d).inp

000655456.b3lyp_6-31g(d).qchem.inp (generated)

000655456.b3lyp_6-31g(d).gjf (generated)

000655456.b3lyp_6-31g(d).firefly.inp (generated)

000655456.b3lyp_6-31g(d).smash.inp (generated)

000655456.b3lyp_6-31g(d).nwchem.inp (generated) 000655456.b3lyp_6-31g(d).log.xz 000655456.td-b3lyp_6-31g+(d).inp 000655456.td-b3lyp_6-31g+(d).log.xz

000655456.td-b3lyp_6-31+g(d).qchem.inp (generated)

000655456.td-b3lyp_6-31+g(d).gjf (generated)

000655456.td-b3lyp_6-31+g(d).firefly.inp (generated)

000655456.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000655456.mol 000655456.PUBCHEM 000655456.mol (via Jmol)
000655495.b3lyp_6-31g(d).inp

000655495.b3lyp_6-31g(d).qchem.inp (generated)

000655495.b3lyp_6-31g(d).gjf (generated)

000655495.b3lyp_6-31g(d).firefly.inp (generated)

000655495.b3lyp_6-31g(d).smash.inp (generated)

000655495.b3lyp_6-31g(d).nwchem.inp (generated) 000655495.b3lyp_6-31g(d).log.xz 000655495.td-b3lyp_6-31g+(d).inp 000655495.td-b3lyp_6-31g+(d).log.xz

000655495.td-b3lyp_6-31+g(d).qchem.inp (generated)

000655495.td-b3lyp_6-31+g(d).gjf (generated)

000655495.td-b3lyp_6-31+g(d).firefly.inp (generated)

000655495.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000655495.mol 000655495.PUBCHEM 000655495.mol (via Jmol)
000655510.b3lyp_6-31g(d).inp

000655510.b3lyp_6-31g(d).qchem.inp (generated)

000655510.b3lyp_6-31g(d).gjf (generated)

000655510.b3lyp_6-31g(d).firefly.inp (generated)

000655510.b3lyp_6-31g(d).smash.inp (generated)

000655510.b3lyp_6-31g(d).nwchem.inp (generated) 000655510.b3lyp_6-31g(d).log.xz 000655510.td-b3lyp_6-31g+(d).inp 000655510.td-b3lyp_6-31g+(d).log.xz

000655510.td-b3lyp_6-31+g(d).qchem.inp (generated)

000655510.td-b3lyp_6-31+g(d).gjf (generated)

000655510.td-b3lyp_6-31+g(d).firefly.inp (generated)

000655510.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000655510.mol 000655510.PUBCHEM 000655510.mol (via Jmol)
000655519.b3lyp_6-31g(d).inp

000655519.b3lyp_6-31g(d).qchem.inp (generated)

000655519.b3lyp_6-31g(d).gjf (generated)

000655519.b3lyp_6-31g(d).firefly.inp (generated)

000655519.b3lyp_6-31g(d).smash.inp (generated)

000655519.b3lyp_6-31g(d).nwchem.inp (generated) 000655519.b3lyp_6-31g(d).log.xz 000655519.mol 000655519.PUBCHEM 000655519.mol (via Jmol)
000655545.b3lyp_6-31g(d).inp

000655545.b3lyp_6-31g(d).qchem.inp (generated)

000655545.b3lyp_6-31g(d).gjf (generated)

000655545.b3lyp_6-31g(d).firefly.inp (generated)

000655545.b3lyp_6-31g(d).smash.inp (generated)

000655545.b3lyp_6-31g(d).nwchem.inp (generated) 000655545.b3lyp_6-31g(d).log.xz 000655545.td-b3lyp_6-31g+(d).inp 000655545.td-b3lyp_6-31g+(d).log.xz

000655545.td-b3lyp_6-31+g(d).qchem.inp (generated)

000655545.td-b3lyp_6-31+g(d).gjf (generated)

000655545.td-b3lyp_6-31+g(d).firefly.inp (generated)

000655545.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000655545.mol 000655545.PUBCHEM 000655545.mol (via Jmol)
000655553.b3lyp_6-31g(d).inp

000655553.b3lyp_6-31g(d).qchem.inp (generated)

000655553.b3lyp_6-31g(d).gjf (generated)

000655553.b3lyp_6-31g(d).firefly.inp (generated)

000655553.b3lyp_6-31g(d).smash.inp (generated)

000655553.b3lyp_6-31g(d).nwchem.inp (generated) 000655553.b3lyp_6-31g(d).log.xz 000655553.td-b3lyp_6-31g+(d).inp 000655553.td-b3lyp_6-31g+(d).log.xz

000655553.td-b3lyp_6-31+g(d).qchem.inp (generated)

000655553.td-b3lyp_6-31+g(d).gjf (generated)

000655553.td-b3lyp_6-31+g(d).firefly.inp (generated)

000655553.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000655553.mol 000655553.PUBCHEM 000655553.mol (via Jmol)
000655601.b3lyp_6-31g(d).inp

000655601.b3lyp_6-31g(d).qchem.inp (generated)

000655601.b3lyp_6-31g(d).gjf (generated)

000655601.b3lyp_6-31g(d).firefly.inp (generated)

000655601.b3lyp_6-31g(d).smash.inp (generated)

000655601.b3lyp_6-31g(d).nwchem.inp (generated) 000655601.b3lyp_6-31g(d).log.xz 000655601.td-b3lyp_6-31g+(d).inp 000655601.td-b3lyp_6-31g+(d).log.xz

000655601.td-b3lyp_6-31+g(d).qchem.inp (generated)

000655601.td-b3lyp_6-31+g(d).gjf (generated)

000655601.td-b3lyp_6-31+g(d).firefly.inp (generated)

000655601.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000655601.mol 000655601.PUBCHEM 000655601.mol (via Jmol)
000655629.b3lyp_6-31g(d).inp

000655629.b3lyp_6-31g(d).qchem.inp (generated)

000655629.b3lyp_6-31g(d).gjf (generated)

000655629.b3lyp_6-31g(d).firefly.inp (generated)

000655629.b3lyp_6-31g(d).smash.inp (generated)

000655629.b3lyp_6-31g(d).nwchem.inp (generated) 000655629.b3lyp_6-31g(d).log.xz 000655629.td-b3lyp_6-31g+(d).inp 000655629.td-b3lyp_6-31g+(d).log.xz

000655629.td-b3lyp_6-31+g(d).qchem.inp (generated)

000655629.td-b3lyp_6-31+g(d).gjf (generated)

000655629.td-b3lyp_6-31+g(d).firefly.inp (generated)

000655629.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000655629.mol 000655629.PUBCHEM 000655629.mol (via Jmol)
000655677.b3lyp_6-31g(d).inp

000655677.b3lyp_6-31g(d).qchem.inp (generated)

000655677.b3lyp_6-31g(d).gjf (generated)

000655677.b3lyp_6-31g(d).firefly.inp (generated)

000655677.b3lyp_6-31g(d).smash.inp (generated)

000655677.b3lyp_6-31g(d).nwchem.inp (generated) 000655677.b3lyp_6-31g(d).log.xz 000655677.td-b3lyp_6-31g+(d).inp 000655677.td-b3lyp_6-31g+(d).log.xz

000655677.td-b3lyp_6-31+g(d).qchem.inp (generated)

000655677.td-b3lyp_6-31+g(d).gjf (generated)

000655677.td-b3lyp_6-31+g(d).firefly.inp (generated)

000655677.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000655677.mol 000655677.PUBCHEM 000655677.mol (via Jmol)
000655726.b3lyp_6-31g(d).inp

000655726.b3lyp_6-31g(d).qchem.inp (generated)

000655726.b3lyp_6-31g(d).gjf (generated)

000655726.b3lyp_6-31g(d).firefly.inp (generated)

000655726.b3lyp_6-31g(d).smash.inp (generated)

000655726.b3lyp_6-31g(d).nwchem.inp (generated) 000655726.b3lyp_6-31g(d).log.xz 000655726.mol 000655726.PUBCHEM 000655726.mol (via Jmol)
000655730.b3lyp_6-31g(d).inp

000655730.b3lyp_6-31g(d).qchem.inp (generated)

000655730.b3lyp_6-31g(d).gjf (generated)

000655730.b3lyp_6-31g(d).firefly.inp (generated)

000655730.b3lyp_6-31g(d).smash.inp (generated)

000655730.b3lyp_6-31g(d).nwchem.inp (generated) 000655730.b3lyp_6-31g(d).log.xz 000655730.td-b3lyp_6-31g+(d).inp 000655730.td-b3lyp_6-31g+(d).log.xz

000655730.td-b3lyp_6-31+g(d).qchem.inp (generated)

000655730.td-b3lyp_6-31+g(d).gjf (generated)

000655730.td-b3lyp_6-31+g(d).firefly.inp (generated)

000655730.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000655730.mol 000655730.PUBCHEM 000655730.mol (via Jmol)
000655736.b3lyp_6-31g(d).inp

000655736.b3lyp_6-31g(d).qchem.inp (generated)

000655736.b3lyp_6-31g(d).gjf (generated)

000655736.b3lyp_6-31g(d).firefly.inp (generated)

000655736.b3lyp_6-31g(d).smash.inp (generated)

000655736.b3lyp_6-31g(d).nwchem.inp (generated) 000655736.b3lyp_6-31g(d).log.xz 000655736.td-b3lyp_6-31g+(d).inp 000655736.td-b3lyp_6-31g+(d).log.xz

000655736.td-b3lyp_6-31+g(d).qchem.inp (generated)

000655736.td-b3lyp_6-31+g(d).gjf (generated)

000655736.td-b3lyp_6-31+g(d).firefly.inp (generated)

000655736.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000655736.mol 000655736.PUBCHEM 000655736.mol (via Jmol)
000655777.b3lyp_6-31g(d).inp

000655777.b3lyp_6-31g(d).qchem.inp (generated)

000655777.b3lyp_6-31g(d).gjf (generated)

000655777.b3lyp_6-31g(d).firefly.inp (generated)

000655777.b3lyp_6-31g(d).smash.inp (generated)

000655777.b3lyp_6-31g(d).nwchem.inp (generated) 000655777.b3lyp_6-31g(d).log.xz 000655777.td-b3lyp_6-31g+(d).inp 000655777.td-b3lyp_6-31g+(d).log.xz

000655777.td-b3lyp_6-31+g(d).qchem.inp (generated)

000655777.td-b3lyp_6-31+g(d).gjf (generated)

000655777.td-b3lyp_6-31+g(d).firefly.inp (generated)

000655777.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000655777.mol 000655777.PUBCHEM 000655777.mol (via Jmol)
000655781.b3lyp_6-31g(d).inp

000655781.b3lyp_6-31g(d).qchem.inp (generated)

000655781.b3lyp_6-31g(d).gjf (generated)

000655781.b3lyp_6-31g(d).firefly.inp (generated)

000655781.b3lyp_6-31g(d).smash.inp (generated)

000655781.b3lyp_6-31g(d).nwchem.inp (generated) 000655781.b3lyp_6-31g(d).log.xz 000655781.mol 000655781.PUBCHEM 000655781.mol (via Jmol)
000655803.b3lyp_6-31g(d).inp

000655803.b3lyp_6-31g(d).qchem.inp (generated)

000655803.b3lyp_6-31g(d).gjf (generated)

000655803.b3lyp_6-31g(d).firefly.inp (generated)

000655803.b3lyp_6-31g(d).smash.inp (generated)

000655803.b3lyp_6-31g(d).nwchem.inp (generated) 000655803.b3lyp_6-31g(d).log.xz 000655803.td-b3lyp_6-31g+(d).inp 000655803.td-b3lyp_6-31g+(d).log.xz

000655803.td-b3lyp_6-31+g(d).qchem.inp (generated)

000655803.td-b3lyp_6-31+g(d).gjf (generated)

000655803.td-b3lyp_6-31+g(d).firefly.inp (generated)

000655803.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000655803.mol 000655803.PUBCHEM 000655803.mol (via Jmol)
000655810.b3lyp_6-31g(d).inp

000655810.b3lyp_6-31g(d).qchem.inp (generated)

000655810.b3lyp_6-31g(d).gjf (generated)

000655810.b3lyp_6-31g(d).firefly.inp (generated)

000655810.b3lyp_6-31g(d).smash.inp (generated)

000655810.b3lyp_6-31g(d).nwchem.inp (generated) 000655810.b3lyp_6-31g(d).log.xz 000655810.td-b3lyp_6-31g+(d).inp 000655810.td-b3lyp_6-31g+(d).log.xz

000655810.td-b3lyp_6-31+g(d).qchem.inp (generated)

000655810.td-b3lyp_6-31+g(d).gjf (generated)

000655810.td-b3lyp_6-31+g(d).firefly.inp (generated)

000655810.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000655810.mol 000655810.PUBCHEM 000655810.mol (via Jmol)
000655817.b3lyp_6-31g(d).inp

000655817.b3lyp_6-31g(d).qchem.inp (generated)

000655817.b3lyp_6-31g(d).gjf (generated)

000655817.b3lyp_6-31g(d).firefly.inp (generated)

000655817.b3lyp_6-31g(d).smash.inp (generated)

000655817.b3lyp_6-31g(d).nwchem.inp (generated) 000655817.b3lyp_6-31g(d).log.xz 000655817.mol 000655817.PUBCHEM 000655817.mol (via Jmol)
000655916.b3lyp_6-31g(d).inp

000655916.b3lyp_6-31g(d).qchem.inp (generated)

000655916.b3lyp_6-31g(d).gjf (generated)

000655916.b3lyp_6-31g(d).firefly.inp (generated)

000655916.b3lyp_6-31g(d).smash.inp (generated)

000655916.b3lyp_6-31g(d).nwchem.inp (generated) 000655916.b3lyp_6-31g(d).log.xz 000655916.td-b3lyp_6-31g+(d).inp 000655916.td-b3lyp_6-31g+(d).log.xz

000655916.td-b3lyp_6-31+g(d).qchem.inp (generated)

000655916.td-b3lyp_6-31+g(d).gjf (generated)

000655916.td-b3lyp_6-31+g(d).firefly.inp (generated)

000655916.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000655916.mol 000655916.PUBCHEM 000655916.mol (via Jmol)
000656005.b3lyp_6-31g(d).inp

000656005.b3lyp_6-31g(d).qchem.inp (generated)

000656005.b3lyp_6-31g(d).gjf (generated)

000656005.b3lyp_6-31g(d).firefly.inp (generated)

000656005.b3lyp_6-31g(d).smash.inp (generated)

000656005.b3lyp_6-31g(d).nwchem.inp (generated) 000656005.b3lyp_6-31g(d).log.xz 000656005.td-b3lyp_6-31g+(d).inp 000656005.td-b3lyp_6-31g+(d).log.xz

000656005.td-b3lyp_6-31+g(d).qchem.inp (generated)

000656005.td-b3lyp_6-31+g(d).gjf (generated)

000656005.td-b3lyp_6-31+g(d).firefly.inp (generated)

000656005.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000656005.mol 000656005.PUBCHEM 000656005.mol (via Jmol)
000656008.b3lyp_6-31g(d).inp

000656008.b3lyp_6-31g(d).qchem.inp (generated)

000656008.b3lyp_6-31g(d).gjf (generated)

000656008.b3lyp_6-31g(d).firefly.inp (generated)

000656008.b3lyp_6-31g(d).smash.inp (generated)

000656008.b3lyp_6-31g(d).nwchem.inp (generated) 000656008.b3lyp_6-31g(d).log.xz 000656008.td-b3lyp_6-31g+(d).inp 000656008.td-b3lyp_6-31g+(d).log.xz

000656008.td-b3lyp_6-31+g(d).qchem.inp (generated)

000656008.td-b3lyp_6-31+g(d).gjf (generated)

000656008.td-b3lyp_6-31+g(d).firefly.inp (generated)

000656008.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000656008.mol 000656008.PUBCHEM 000656008.mol (via Jmol)
000656025.b3lyp_6-31g(d).inp

000656025.b3lyp_6-31g(d).qchem.inp (generated)

000656025.b3lyp_6-31g(d).gjf (generated)

000656025.b3lyp_6-31g(d).firefly.inp (generated)

000656025.b3lyp_6-31g(d).smash.inp (generated)

000656025.b3lyp_6-31g(d).nwchem.inp (generated) 000656025.b3lyp_6-31g(d).log.xz 000656025.td-b3lyp_6-31g+(d).inp 000656025.td-b3lyp_6-31g+(d).log.xz

000656025.td-b3lyp_6-31+g(d).qchem.inp (generated)

000656025.td-b3lyp_6-31+g(d).gjf (generated)

000656025.td-b3lyp_6-31+g(d).firefly.inp (generated)

000656025.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000656025.mol 000656025.PUBCHEM 000656025.mol (via Jmol)
000656037.b3lyp_6-31g(d).inp

000656037.b3lyp_6-31g(d).qchem.inp (generated)

000656037.b3lyp_6-31g(d).gjf (generated)

000656037.b3lyp_6-31g(d).firefly.inp (generated)

000656037.b3lyp_6-31g(d).smash.inp (generated)

000656037.b3lyp_6-31g(d).nwchem.inp (generated) 000656037.b3lyp_6-31g(d).log.xz 000656037.td-b3lyp_6-31g+(d).inp 000656037.td-b3lyp_6-31g+(d).log.xz

000656037.td-b3lyp_6-31+g(d).qchem.inp (generated)

000656037.td-b3lyp_6-31+g(d).gjf (generated)

000656037.td-b3lyp_6-31+g(d).firefly.inp (generated)

000656037.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000656037.mol 000656037.PUBCHEM 000656037.mol (via Jmol)
000656040.b3lyp_6-31g(d).inp

000656040.b3lyp_6-31g(d).qchem.inp (generated)

000656040.b3lyp_6-31g(d).gjf (generated)

000656040.b3lyp_6-31g(d).firefly.inp (generated)

000656040.b3lyp_6-31g(d).smash.inp (generated)

000656040.b3lyp_6-31g(d).nwchem.inp (generated) 000656040.b3lyp_6-31g(d).log.xz 000656040.td-b3lyp_6-31g+(d).inp 000656040.td-b3lyp_6-31g+(d).log.xz

000656040.td-b3lyp_6-31+g(d).qchem.inp (generated)

000656040.td-b3lyp_6-31+g(d).gjf (generated)

000656040.td-b3lyp_6-31+g(d).firefly.inp (generated)

000656040.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000656040.mol 000656040.PUBCHEM 000656040.mol (via Jmol)
000656089.b3lyp_6-31g(d).inp

000656089.b3lyp_6-31g(d).qchem.inp (generated)

000656089.b3lyp_6-31g(d).gjf (generated)

000656089.b3lyp_6-31g(d).firefly.inp (generated)

000656089.b3lyp_6-31g(d).smash.inp (generated)

000656089.b3lyp_6-31g(d).nwchem.inp (generated) 000656089.b3lyp_6-31g(d).log.xz 000656089.td-b3lyp_6-31g+(d).inp 000656089.td-b3lyp_6-31g+(d).log.xz

000656089.td-b3lyp_6-31+g(d).qchem.inp (generated)

000656089.td-b3lyp_6-31+g(d).gjf (generated)

000656089.td-b3lyp_6-31+g(d).firefly.inp (generated)

000656089.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000656089.mol 000656089.PUBCHEM 000656089.mol (via Jmol)
000656129.b3lyp_6-31g(d).inp

000656129.b3lyp_6-31g(d).qchem.inp (generated)

000656129.b3lyp_6-31g(d).gjf (generated)

000656129.b3lyp_6-31g(d).firefly.inp (generated)

000656129.b3lyp_6-31g(d).smash.inp (generated)

000656129.b3lyp_6-31g(d).nwchem.inp (generated) 000656129.b3lyp_6-31g(d).log.xz 000656129.td-b3lyp_6-31g+(d).inp 000656129.td-b3lyp_6-31g+(d).log.xz

000656129.td-b3lyp_6-31+g(d).qchem.inp (generated)

000656129.td-b3lyp_6-31+g(d).gjf (generated)

000656129.td-b3lyp_6-31+g(d).firefly.inp (generated)

000656129.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000656129.mol 000656129.PUBCHEM 000656129.mol (via Jmol)
000656143.b3lyp_6-31g(d).inp

000656143.b3lyp_6-31g(d).qchem.inp (generated)

000656143.b3lyp_6-31g(d).gjf (generated)

000656143.b3lyp_6-31g(d).firefly.inp (generated)

000656143.b3lyp_6-31g(d).smash.inp (generated)

000656143.b3lyp_6-31g(d).nwchem.inp (generated) 000656143.b3lyp_6-31g(d).log.xz 000656143.td-b3lyp_6-31g+(d).inp 000656143.td-b3lyp_6-31g+(d).log.xz

000656143.td-b3lyp_6-31+g(d).qchem.inp (generated)

000656143.td-b3lyp_6-31+g(d).gjf (generated)

000656143.td-b3lyp_6-31+g(d).firefly.inp (generated)

000656143.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000656143.mol 000656143.PUBCHEM 000656143.mol (via Jmol)
000656160.b3lyp_6-31g(d).inp

000656160.b3lyp_6-31g(d).qchem.inp (generated)

000656160.b3lyp_6-31g(d).gjf (generated)

000656160.b3lyp_6-31g(d).firefly.inp (generated)

000656160.b3lyp_6-31g(d).smash.inp (generated)

000656160.b3lyp_6-31g(d).nwchem.inp (generated) 000656160.b3lyp_6-31g(d).log.xz 000656160.td-b3lyp_6-31g+(d).inp 000656160.td-b3lyp_6-31g+(d).log.xz

000656160.td-b3lyp_6-31+g(d).qchem.inp (generated)

000656160.td-b3lyp_6-31+g(d).gjf (generated)

000656160.td-b3lyp_6-31+g(d).firefly.inp (generated)

000656160.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000656160.mol 000656160.PUBCHEM 000656160.mol (via Jmol)
000656176.b3lyp_6-31g(d).inp

000656176.b3lyp_6-31g(d).qchem.inp (generated)

000656176.b3lyp_6-31g(d).gjf (generated)

000656176.b3lyp_6-31g(d).firefly.inp (generated)

000656176.b3lyp_6-31g(d).smash.inp (generated)

000656176.b3lyp_6-31g(d).nwchem.inp (generated) 000656176.b3lyp_6-31g(d).log.xz 000656176.td-b3lyp_6-31g+(d).inp 000656176.td-b3lyp_6-31g+(d).log.xz

000656176.td-b3lyp_6-31+g(d).qchem.inp (generated)

000656176.td-b3lyp_6-31+g(d).gjf (generated)

000656176.td-b3lyp_6-31+g(d).firefly.inp (generated)

000656176.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000656176.mol 000656176.PUBCHEM 000656176.mol (via Jmol)
000656203.b3lyp_6-31g(d).inp

000656203.b3lyp_6-31g(d).qchem.inp (generated)

000656203.b3lyp_6-31g(d).gjf (generated)

000656203.b3lyp_6-31g(d).firefly.inp (generated)

000656203.b3lyp_6-31g(d).smash.inp (generated)

000656203.b3lyp_6-31g(d).nwchem.inp (generated) 000656203.b3lyp_6-31g(d).log.xz 000656203.mol 000656203.PUBCHEM 000656203.mol (via Jmol)
000656226.b3lyp_6-31g(d).inp

000656226.b3lyp_6-31g(d).qchem.inp (generated)

000656226.b3lyp_6-31g(d).gjf (generated)

000656226.b3lyp_6-31g(d).firefly.inp (generated)

000656226.b3lyp_6-31g(d).smash.inp (generated)

000656226.b3lyp_6-31g(d).nwchem.inp (generated) 000656226.b3lyp_6-31g(d).log.xz 000656226.td-b3lyp_6-31g+(d).inp 000656226.td-b3lyp_6-31g+(d).log.xz

000656226.td-b3lyp_6-31+g(d).qchem.inp (generated)

000656226.td-b3lyp_6-31+g(d).gjf (generated)

000656226.td-b3lyp_6-31+g(d).firefly.inp (generated)

000656226.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000656226.mol 000656226.PUBCHEM 000656226.mol (via Jmol)
000656232.b3lyp_6-31g(d).inp

000656232.b3lyp_6-31g(d).qchem.inp (generated)

000656232.b3lyp_6-31g(d).gjf (generated)

000656232.b3lyp_6-31g(d).firefly.inp (generated)

000656232.b3lyp_6-31g(d).smash.inp (generated)

000656232.b3lyp_6-31g(d).nwchem.inp (generated) 000656232.b3lyp_6-31g(d).log.xz 000656232.td-b3lyp_6-31g+(d).inp 000656232.td-b3lyp_6-31g+(d).log.xz

000656232.td-b3lyp_6-31+g(d).qchem.inp (generated)

000656232.td-b3lyp_6-31+g(d).gjf (generated)

000656232.td-b3lyp_6-31+g(d).firefly.inp (generated)

000656232.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000656232.mol 000656232.PUBCHEM 000656232.mol (via Jmol)
000656251.b3lyp_6-31g(d).inp

000656251.b3lyp_6-31g(d).qchem.inp (generated)

000656251.b3lyp_6-31g(d).gjf (generated)

000656251.b3lyp_6-31g(d).firefly.inp (generated)

000656251.b3lyp_6-31g(d).smash.inp (generated)

000656251.b3lyp_6-31g(d).nwchem.inp (generated) 000656251.b3lyp_6-31g(d).log.xz 000656251.td-b3lyp_6-31g+(d).inp 000656251.td-b3lyp_6-31g+(d).log.xz

000656251.td-b3lyp_6-31+g(d).qchem.inp (generated)

000656251.td-b3lyp_6-31+g(d).gjf (generated)

000656251.td-b3lyp_6-31+g(d).firefly.inp (generated)

000656251.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000656251.mol 000656251.PUBCHEM 000656251.mol (via Jmol)
000656262.b3lyp_6-31g(d).inp

000656262.b3lyp_6-31g(d).qchem.inp (generated)

000656262.b3lyp_6-31g(d).gjf (generated)

000656262.b3lyp_6-31g(d).firefly.inp (generated)

000656262.b3lyp_6-31g(d).smash.inp (generated)

000656262.b3lyp_6-31g(d).nwchem.inp (generated) 000656262.b3lyp_6-31g(d).log.xz 000656262.mol 000656262.PUBCHEM 000656262.mol (via Jmol)
000656294.b3lyp_6-31g(d).inp

000656294.b3lyp_6-31g(d).qchem.inp (generated)

000656294.b3lyp_6-31g(d).gjf (generated)

000656294.b3lyp_6-31g(d).firefly.inp (generated)

000656294.b3lyp_6-31g(d).smash.inp (generated)

000656294.b3lyp_6-31g(d).nwchem.inp (generated) 000656294.b3lyp_6-31g(d).log.xz 000656294.td-b3lyp_6-31g+(d).inp 000656294.td-b3lyp_6-31g+(d).log.xz

000656294.td-b3lyp_6-31+g(d).qchem.inp (generated)

000656294.td-b3lyp_6-31+g(d).gjf (generated)

000656294.td-b3lyp_6-31+g(d).firefly.inp (generated)

000656294.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000656294.mol 000656294.PUBCHEM 000656294.mol (via Jmol)
000656297.b3lyp_6-31g(d).inp

000656297.b3lyp_6-31g(d).qchem.inp (generated)

000656297.b3lyp_6-31g(d).gjf (generated)

000656297.b3lyp_6-31g(d).firefly.inp (generated)

000656297.b3lyp_6-31g(d).smash.inp (generated)

000656297.b3lyp_6-31g(d).nwchem.inp (generated) 000656297.b3lyp_6-31g(d).log.xz 000656297.td-b3lyp_6-31g+(d).inp 000656297.td-b3lyp_6-31g+(d).log.xz

000656297.td-b3lyp_6-31+g(d).qchem.inp (generated)

000656297.td-b3lyp_6-31+g(d).gjf (generated)

000656297.td-b3lyp_6-31+g(d).firefly.inp (generated)

000656297.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000656297.mol 000656297.PUBCHEM 000656297.mol (via Jmol)
000656320.b3lyp_6-31g(d).inp

000656320.b3lyp_6-31g(d).qchem.inp (generated)

000656320.b3lyp_6-31g(d).gjf (generated)

000656320.b3lyp_6-31g(d).firefly.inp (generated)

000656320.b3lyp_6-31g(d).smash.inp (generated)

000656320.b3lyp_6-31g(d).nwchem.inp (generated) 000656320.b3lyp_6-31g(d).log.xz 000656320.mol 000656320.PUBCHEM 000656320.mol (via Jmol)
000656321.b3lyp_6-31g(d).inp

000656321.b3lyp_6-31g(d).qchem.inp (generated)

000656321.b3lyp_6-31g(d).gjf (generated)

000656321.b3lyp_6-31g(d).firefly.inp (generated)

000656321.b3lyp_6-31g(d).smash.inp (generated)

000656321.b3lyp_6-31g(d).nwchem.inp (generated) 000656321.b3lyp_6-31g(d).log.xz 000656321.td-b3lyp_6-31g+(d).inp 000656321.td-b3lyp_6-31g+(d).log.xz

000656321.td-b3lyp_6-31+g(d).qchem.inp (generated)

000656321.td-b3lyp_6-31+g(d).gjf (generated)

000656321.td-b3lyp_6-31+g(d).firefly.inp (generated)

000656321.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000656321.mol 000656321.PUBCHEM 000656321.mol (via Jmol)
000656359.b3lyp_6-31g(d).inp

000656359.b3lyp_6-31g(d).qchem.inp (generated)

000656359.b3lyp_6-31g(d).gjf (generated)

000656359.b3lyp_6-31g(d).firefly.inp (generated)

000656359.b3lyp_6-31g(d).smash.inp (generated)

000656359.b3lyp_6-31g(d).nwchem.inp (generated) 000656359.b3lyp_6-31g(d).log.xz 000656359.mol 000656359.PUBCHEM 000656359.mol (via Jmol)
000656362.b3lyp_6-31g(d).inp

000656362.b3lyp_6-31g(d).qchem.inp (generated)

000656362.b3lyp_6-31g(d).gjf (generated)

000656362.b3lyp_6-31g(d).firefly.inp (generated)

000656362.b3lyp_6-31g(d).smash.inp (generated)

000656362.b3lyp_6-31g(d).nwchem.inp (generated) 000656362.b3lyp_6-31g(d).log.xz 000656362.td-b3lyp_6-31g+(d).inp 000656362.td-b3lyp_6-31g+(d).log.xz

000656362.td-b3lyp_6-31+g(d).qchem.inp (generated)

000656362.td-b3lyp_6-31+g(d).gjf (generated)

000656362.td-b3lyp_6-31+g(d).firefly.inp (generated)

000656362.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000656362.mol 000656362.PUBCHEM 000656362.mol (via Jmol)
000656374.b3lyp_6-31g(d).inp

000656374.b3lyp_6-31g(d).qchem.inp (generated)

000656374.b3lyp_6-31g(d).gjf (generated)

000656374.b3lyp_6-31g(d).firefly.inp (generated)

000656374.b3lyp_6-31g(d).smash.inp (generated)

000656374.b3lyp_6-31g(d).nwchem.inp (generated) 000656374.b3lyp_6-31g(d).log.xz 000656374.td-b3lyp_6-31g+(d).inp 000656374.td-b3lyp_6-31g+(d).log.xz

000656374.td-b3lyp_6-31+g(d).qchem.inp (generated)

000656374.td-b3lyp_6-31+g(d).gjf (generated)

000656374.td-b3lyp_6-31+g(d).firefly.inp (generated)

000656374.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000656374.mol 000656374.PUBCHEM 000656374.mol (via Jmol)
000656393.b3lyp_6-31g(d).inp

000656393.b3lyp_6-31g(d).qchem.inp (generated)

000656393.b3lyp_6-31g(d).gjf (generated)

000656393.b3lyp_6-31g(d).firefly.inp (generated)

000656393.b3lyp_6-31g(d).smash.inp (generated)

000656393.b3lyp_6-31g(d).nwchem.inp (generated) 000656393.b3lyp_6-31g(d).log.xz 000656393.td-b3lyp_6-31g+(d).inp 000656393.td-b3lyp_6-31g+(d).log.xz

000656393.td-b3lyp_6-31+g(d).qchem.inp (generated)

000656393.td-b3lyp_6-31+g(d).gjf (generated)

000656393.td-b3lyp_6-31+g(d).firefly.inp (generated)

000656393.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000656393.mol 000656393.PUBCHEM 000656393.mol (via Jmol)
000656395.b3lyp_6-31g(d).inp

000656395.b3lyp_6-31g(d).qchem.inp (generated)

000656395.b3lyp_6-31g(d).gjf (generated)

000656395.b3lyp_6-31g(d).firefly.inp (generated)

000656395.b3lyp_6-31g(d).smash.inp (generated)

000656395.b3lyp_6-31g(d).nwchem.inp (generated) 000656395.b3lyp_6-31g(d).log.xz 000656395.mol 000656395.PUBCHEM 000656395.mol (via Jmol)
000656405.b3lyp_6-31g(d).inp

000656405.b3lyp_6-31g(d).qchem.inp (generated)

000656405.b3lyp_6-31g(d).gjf (generated)

000656405.b3lyp_6-31g(d).firefly.inp (generated)

000656405.b3lyp_6-31g(d).smash.inp (generated)

000656405.b3lyp_6-31g(d).nwchem.inp (generated) 000656405.b3lyp_6-31g(d).log.xz 000656405.td-b3lyp_6-31g+(d).inp 000656405.td-b3lyp_6-31g+(d).log.xz

000656405.td-b3lyp_6-31+g(d).qchem.inp (generated)

000656405.td-b3lyp_6-31+g(d).gjf (generated)

000656405.td-b3lyp_6-31+g(d).firefly.inp (generated)

000656405.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000656405.mol 000656405.PUBCHEM 000656405.mol (via Jmol)
000656410.b3lyp_6-31g(d).inp

000656410.b3lyp_6-31g(d).qchem.inp (generated)

000656410.b3lyp_6-31g(d).gjf (generated)

000656410.b3lyp_6-31g(d).firefly.inp (generated)

000656410.b3lyp_6-31g(d).smash.inp (generated)

000656410.b3lyp_6-31g(d).nwchem.inp (generated) 000656410.b3lyp_6-31g(d).log.xz 000656410.td-b3lyp_6-31g+(d).inp 000656410.td-b3lyp_6-31g+(d).log.xz

000656410.td-b3lyp_6-31+g(d).qchem.inp (generated)

000656410.td-b3lyp_6-31+g(d).gjf (generated)

000656410.td-b3lyp_6-31+g(d).firefly.inp (generated)

000656410.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000656410.mol 000656410.PUBCHEM 000656410.mol (via Jmol)
000656417.b3lyp_6-31g(d).inp

000656417.b3lyp_6-31g(d).qchem.inp (generated)

000656417.b3lyp_6-31g(d).gjf (generated)

000656417.b3lyp_6-31g(d).firefly.inp (generated)

000656417.b3lyp_6-31g(d).smash.inp (generated)

000656417.b3lyp_6-31g(d).nwchem.inp (generated) 000656417.b3lyp_6-31g(d).log.xz 000656417.td-b3lyp_6-31g+(d).inp 000656417.td-b3lyp_6-31g+(d).log.xz

000656417.td-b3lyp_6-31+g(d).qchem.inp (generated)

000656417.td-b3lyp_6-31+g(d).gjf (generated)

000656417.td-b3lyp_6-31+g(d).firefly.inp (generated)

000656417.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000656417.mol 000656417.PUBCHEM 000656417.mol (via Jmol)
000656419.b3lyp_6-31g(d).inp

000656419.b3lyp_6-31g(d).qchem.inp (generated)

000656419.b3lyp_6-31g(d).gjf (generated)

000656419.b3lyp_6-31g(d).firefly.inp (generated)

000656419.b3lyp_6-31g(d).smash.inp (generated)

000656419.b3lyp_6-31g(d).nwchem.inp (generated) 000656419.b3lyp_6-31g(d).log.xz 000656419.td-b3lyp_6-31g+(d).inp 000656419.td-b3lyp_6-31g+(d).log.xz

000656419.td-b3lyp_6-31+g(d).qchem.inp (generated)

000656419.td-b3lyp_6-31+g(d).gjf (generated)

000656419.td-b3lyp_6-31+g(d).firefly.inp (generated)

000656419.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000656419.mol 000656419.PUBCHEM 000656419.mol (via Jmol)
000656422.b3lyp_6-31g(d).inp

000656422.b3lyp_6-31g(d).qchem.inp (generated)

000656422.b3lyp_6-31g(d).gjf (generated)

000656422.b3lyp_6-31g(d).firefly.inp (generated)

000656422.b3lyp_6-31g(d).smash.inp (generated)

000656422.b3lyp_6-31g(d).nwchem.inp (generated) 000656422.b3lyp_6-31g(d).log.xz 000656422.td-b3lyp_6-31g+(d).inp 000656422.td-b3lyp_6-31g+(d).log.xz

000656422.td-b3lyp_6-31+g(d).qchem.inp (generated)

000656422.td-b3lyp_6-31+g(d).gjf (generated)

000656422.td-b3lyp_6-31+g(d).firefly.inp (generated)

000656422.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000656422.mol 000656422.PUBCHEM 000656422.mol (via Jmol)
000656467.b3lyp_6-31g(d).inp

000656467.b3lyp_6-31g(d).qchem.inp (generated)

000656467.b3lyp_6-31g(d).gjf (generated)

000656467.b3lyp_6-31g(d).firefly.inp (generated)

000656467.b3lyp_6-31g(d).smash.inp (generated)

000656467.b3lyp_6-31g(d).nwchem.inp (generated) 000656467.b3lyp_6-31g(d).log.xz 000656467.td-b3lyp_6-31g+(d).inp 000656467.td-b3lyp_6-31g+(d).log.xz

000656467.td-b3lyp_6-31+g(d).qchem.inp (generated)

000656467.td-b3lyp_6-31+g(d).gjf (generated)

000656467.td-b3lyp_6-31+g(d).firefly.inp (generated)

000656467.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000656467.mol 000656467.PUBCHEM 000656467.mol (via Jmol)
000656472.b3lyp_6-31g(d).inp

000656472.b3lyp_6-31g(d).qchem.inp (generated)

000656472.b3lyp_6-31g(d).gjf (generated)

000656472.b3lyp_6-31g(d).firefly.inp (generated)

000656472.b3lyp_6-31g(d).smash.inp (generated)

000656472.b3lyp_6-31g(d).nwchem.inp (generated) 000656472.b3lyp_6-31g(d).log.xz 000656472.td-b3lyp_6-31g+(d).inp 000656472.td-b3lyp_6-31g+(d).log.xz

000656472.td-b3lyp_6-31+g(d).qchem.inp (generated)

000656472.td-b3lyp_6-31+g(d).gjf (generated)

000656472.td-b3lyp_6-31+g(d).firefly.inp (generated)

000656472.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000656472.mol 000656472.PUBCHEM 000656472.mol (via Jmol)
000656473.b3lyp_6-31g(d).inp

000656473.b3lyp_6-31g(d).qchem.inp (generated)

000656473.b3lyp_6-31g(d).gjf (generated)

000656473.b3lyp_6-31g(d).firefly.inp (generated)

000656473.b3lyp_6-31g(d).smash.inp (generated)

000656473.b3lyp_6-31g(d).nwchem.inp (generated) 000656473.b3lyp_6-31g(d).log.xz 000656473.td-b3lyp_6-31g+(d).inp 000656473.td-b3lyp_6-31g+(d).log.xz

000656473.td-b3lyp_6-31+g(d).qchem.inp (generated)

000656473.td-b3lyp_6-31+g(d).gjf (generated)

000656473.td-b3lyp_6-31+g(d).firefly.inp (generated)

000656473.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000656473.mol 000656473.PUBCHEM 000656473.mol (via Jmol)
000656476.b3lyp_6-31g(d).inp

000656476.b3lyp_6-31g(d).qchem.inp (generated)

000656476.b3lyp_6-31g(d).gjf (generated)

000656476.b3lyp_6-31g(d).firefly.inp (generated)

000656476.b3lyp_6-31g(d).smash.inp (generated)

000656476.b3lyp_6-31g(d).nwchem.inp (generated) 000656476.b3lyp_6-31g(d).log.xz 000656476.td-b3lyp_6-31g+(d).inp 000656476.td-b3lyp_6-31g+(d).log.xz

000656476.td-b3lyp_6-31+g(d).qchem.inp (generated)

000656476.td-b3lyp_6-31+g(d).gjf (generated)

000656476.td-b3lyp_6-31+g(d).firefly.inp (generated)

000656476.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000656476.mol 000656476.PUBCHEM 000656476.mol (via Jmol)
000656481.b3lyp_6-31g(d).inp

000656481.b3lyp_6-31g(d).qchem.inp (generated)

000656481.b3lyp_6-31g(d).gjf (generated)

000656481.b3lyp_6-31g(d).firefly.inp (generated)

000656481.b3lyp_6-31g(d).smash.inp (generated)

000656481.b3lyp_6-31g(d).nwchem.inp (generated) 000656481.b3lyp_6-31g(d).log.xz 000656481.td-b3lyp_6-31g+(d).inp 000656481.td-b3lyp_6-31g+(d).log.xz

000656481.td-b3lyp_6-31+g(d).qchem.inp (generated)

000656481.td-b3lyp_6-31+g(d).gjf (generated)

000656481.td-b3lyp_6-31+g(d).firefly.inp (generated)

000656481.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000656481.mol 000656481.PUBCHEM 000656481.mol (via Jmol)
000656486.b3lyp_6-31g(d).inp

000656486.b3lyp_6-31g(d).qchem.inp (generated)

000656486.b3lyp_6-31g(d).gjf (generated)

000656486.b3lyp_6-31g(d).firefly.inp (generated)

000656486.b3lyp_6-31g(d).smash.inp (generated)

000656486.b3lyp_6-31g(d).nwchem.inp (generated) 000656486.b3lyp_6-31g(d).log.xz 000656486.td-b3lyp_6-31g+(d).inp 000656486.td-b3lyp_6-31g+(d).log.xz

000656486.td-b3lyp_6-31+g(d).qchem.inp (generated)

000656486.td-b3lyp_6-31+g(d).gjf (generated)

000656486.td-b3lyp_6-31+g(d).firefly.inp (generated)

000656486.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000656486.mol 000656486.PUBCHEM 000656486.mol (via Jmol)
000656502.b3lyp_6-31g(d).inp

000656502.b3lyp_6-31g(d).qchem.inp (generated)

000656502.b3lyp_6-31g(d).gjf (generated)

000656502.b3lyp_6-31g(d).firefly.inp (generated)

000656502.b3lyp_6-31g(d).smash.inp (generated)

000656502.b3lyp_6-31g(d).nwchem.inp (generated) 000656502.b3lyp_6-31g(d).log.xz 000656502.td-b3lyp_6-31g+(d).inp 000656502.td-b3lyp_6-31g+(d).log.xz

000656502.td-b3lyp_6-31+g(d).qchem.inp (generated)

000656502.td-b3lyp_6-31+g(d).gjf (generated)

000656502.td-b3lyp_6-31+g(d).firefly.inp (generated)

000656502.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000656502.mol 000656502.PUBCHEM 000656502.mol (via Jmol)
000656693.b3lyp_6-31g(d).inp

000656693.b3lyp_6-31g(d).qchem.inp (generated)

000656693.b3lyp_6-31g(d).gjf (generated)

000656693.b3lyp_6-31g(d).firefly.inp (generated)

000656693.b3lyp_6-31g(d).smash.inp (generated)

000656693.b3lyp_6-31g(d).nwchem.inp (generated) 000656693.b3lyp_6-31g(d).log.xz 000656693.mol 000656693.PUBCHEM 000656693.mol (via Jmol)
000656706.b3lyp_6-31g(d).inp

000656706.b3lyp_6-31g(d).qchem.inp (generated)

000656706.b3lyp_6-31g(d).gjf (generated)

000656706.b3lyp_6-31g(d).firefly.inp (generated)

000656706.b3lyp_6-31g(d).smash.inp (generated)

000656706.b3lyp_6-31g(d).nwchem.inp (generated) 000656706.b3lyp_6-31g(d).log.xz 000656706.mol 000656706.PUBCHEM 000656706.mol (via Jmol)
000656710.b3lyp_6-31g(d).inp

000656710.b3lyp_6-31g(d).qchem.inp (generated)

000656710.b3lyp_6-31g(d).gjf (generated)

000656710.b3lyp_6-31g(d).firefly.inp (generated)

000656710.b3lyp_6-31g(d).smash.inp (generated)

000656710.b3lyp_6-31g(d).nwchem.inp (generated) 000656710.b3lyp_6-31g(d).log.xz 000656710.td-b3lyp_6-31g+(d).inp 000656710.td-b3lyp_6-31g+(d).log.xz

000656710.td-b3lyp_6-31+g(d).qchem.inp (generated)

000656710.td-b3lyp_6-31+g(d).gjf (generated)

000656710.td-b3lyp_6-31+g(d).firefly.inp (generated)

000656710.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000656710.mol 000656710.PUBCHEM 000656710.mol (via Jmol)
000656716.b3lyp_6-31g(d).inp

000656716.b3lyp_6-31g(d).qchem.inp (generated)

000656716.b3lyp_6-31g(d).gjf (generated)

000656716.b3lyp_6-31g(d).firefly.inp (generated)

000656716.b3lyp_6-31g(d).smash.inp (generated)

000656716.b3lyp_6-31g(d).nwchem.inp (generated) 000656716.b3lyp_6-31g(d).log.xz 000656716.td-b3lyp_6-31g+(d).inp 000656716.td-b3lyp_6-31g+(d).log.xz

000656716.td-b3lyp_6-31+g(d).qchem.inp (generated)

000656716.td-b3lyp_6-31+g(d).gjf (generated)

000656716.td-b3lyp_6-31+g(d).firefly.inp (generated)

000656716.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000656716.mol 000656716.PUBCHEM 000656716.mol (via Jmol)
000656720.b3lyp_6-31g(d).inp

000656720.b3lyp_6-31g(d).qchem.inp (generated)

000656720.b3lyp_6-31g(d).gjf (generated)

000656720.b3lyp_6-31g(d).firefly.inp (generated)

000656720.b3lyp_6-31g(d).smash.inp (generated)

000656720.b3lyp_6-31g(d).nwchem.inp (generated) 000656720.b3lyp_6-31g(d).log.xz 000656720.td-b3lyp_6-31g+(d).inp 000656720.td-b3lyp_6-31g+(d).log.xz

000656720.td-b3lyp_6-31+g(d).qchem.inp (generated)

000656720.td-b3lyp_6-31+g(d).gjf (generated)

000656720.td-b3lyp_6-31+g(d).firefly.inp (generated)

000656720.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000656720.mol 000656720.PUBCHEM 000656720.mol (via Jmol)
000656724.b3lyp_6-31g(d).inp

000656724.b3lyp_6-31g(d).qchem.inp (generated)

000656724.b3lyp_6-31g(d).gjf (generated)

000656724.b3lyp_6-31g(d).firefly.inp (generated)

000656724.b3lyp_6-31g(d).smash.inp (generated)

000656724.b3lyp_6-31g(d).nwchem.inp (generated) 000656724.b3lyp_6-31g(d).log.xz 000656724.td-b3lyp_6-31g+(d).inp 000656724.td-b3lyp_6-31g+(d).log.xz

000656724.td-b3lyp_6-31+g(d).qchem.inp (generated)

000656724.td-b3lyp_6-31+g(d).gjf (generated)

000656724.td-b3lyp_6-31+g(d).firefly.inp (generated)

000656724.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000656724.mol 000656724.PUBCHEM 000656724.mol (via Jmol)
000656765.b3lyp_6-31g(d).inp

000656765.b3lyp_6-31g(d).qchem.inp (generated)

000656765.b3lyp_6-31g(d).gjf (generated)

000656765.b3lyp_6-31g(d).firefly.inp (generated)

000656765.b3lyp_6-31g(d).smash.inp (generated)

000656765.b3lyp_6-31g(d).nwchem.inp (generated) 000656765.b3lyp_6-31g(d).log.xz 000656765.td-b3lyp_6-31g+(d).inp 000656765.td-b3lyp_6-31g+(d).log.xz

000656765.td-b3lyp_6-31+g(d).qchem.inp (generated)

000656765.td-b3lyp_6-31+g(d).gjf (generated)

000656765.td-b3lyp_6-31+g(d).firefly.inp (generated)

000656765.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000656765.mol 000656765.PUBCHEM 000656765.mol (via Jmol)
000656869.b3lyp_6-31g(d).inp

000656869.b3lyp_6-31g(d).qchem.inp (generated)

000656869.b3lyp_6-31g(d).gjf (generated)

000656869.b3lyp_6-31g(d).firefly.inp (generated)

000656869.b3lyp_6-31g(d).smash.inp (generated)

000656869.b3lyp_6-31g(d).nwchem.inp (generated) 000656869.b3lyp_6-31g(d).log.xz 000656869.td-b3lyp_6-31g+(d).inp 000656869.td-b3lyp_6-31g+(d).log.xz

000656869.td-b3lyp_6-31+g(d).qchem.inp (generated)

000656869.td-b3lyp_6-31+g(d).gjf (generated)

000656869.td-b3lyp_6-31+g(d).firefly.inp (generated)

000656869.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000656869.mol 000656869.PUBCHEM 000656869.mol (via Jmol)
000656870.b3lyp_6-31g(d).inp

000656870.b3lyp_6-31g(d).qchem.inp (generated)

000656870.b3lyp_6-31g(d).gjf (generated)

000656870.b3lyp_6-31g(d).firefly.inp (generated)

000656870.b3lyp_6-31g(d).smash.inp (generated)

000656870.b3lyp_6-31g(d).nwchem.inp (generated) 000656870.b3lyp_6-31g(d).log.xz 000656870.td-b3lyp_6-31g+(d).inp 000656870.td-b3lyp_6-31g+(d).log.xz

000656870.td-b3lyp_6-31+g(d).qchem.inp (generated)

000656870.td-b3lyp_6-31+g(d).gjf (generated)

000656870.td-b3lyp_6-31+g(d).firefly.inp (generated)

000656870.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000656870.mol 000656870.PUBCHEM 000656870.mol (via Jmol)
000656873.b3lyp_6-31g(d).inp

000656873.b3lyp_6-31g(d).qchem.inp (generated)

000656873.b3lyp_6-31g(d).gjf (generated)

000656873.b3lyp_6-31g(d).firefly.inp (generated)

000656873.b3lyp_6-31g(d).smash.inp (generated)

000656873.b3lyp_6-31g(d).nwchem.inp (generated) 000656873.b3lyp_6-31g(d).log.xz 000656873.td-b3lyp_6-31g+(d).inp 000656873.td-b3lyp_6-31g+(d).log.xz

000656873.td-b3lyp_6-31+g(d).qchem.inp (generated)

000656873.td-b3lyp_6-31+g(d).gjf (generated)

000656873.td-b3lyp_6-31+g(d).firefly.inp (generated)

000656873.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000656873.mol 000656873.PUBCHEM 000656873.mol (via Jmol)
000656874.b3lyp_6-31g(d).inp

000656874.b3lyp_6-31g(d).qchem.inp (generated)

000656874.b3lyp_6-31g(d).gjf (generated)

000656874.b3lyp_6-31g(d).firefly.inp (generated)

000656874.b3lyp_6-31g(d).smash.inp (generated)

000656874.b3lyp_6-31g(d).nwchem.inp (generated) 000656874.b3lyp_6-31g(d).log.xz 000656874.td-b3lyp_6-31g+(d).inp 000656874.td-b3lyp_6-31g+(d).log.xz

000656874.td-b3lyp_6-31+g(d).qchem.inp (generated)

000656874.td-b3lyp_6-31+g(d).gjf (generated)

000656874.td-b3lyp_6-31+g(d).firefly.inp (generated)

000656874.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000656874.mol 000656874.PUBCHEM 000656874.mol (via Jmol)
000656876.b3lyp_6-31g(d).inp

000656876.b3lyp_6-31g(d).qchem.inp (generated)

000656876.b3lyp_6-31g(d).gjf (generated)

000656876.b3lyp_6-31g(d).firefly.inp (generated)

000656876.b3lyp_6-31g(d).smash.inp (generated)

000656876.b3lyp_6-31g(d).nwchem.inp (generated) 000656876.b3lyp_6-31g(d).log.xz 000656876.td-b3lyp_6-31g+(d).inp 000656876.td-b3lyp_6-31g+(d).log.xz

000656876.td-b3lyp_6-31+g(d).qchem.inp (generated)

000656876.td-b3lyp_6-31+g(d).gjf (generated)

000656876.td-b3lyp_6-31+g(d).firefly.inp (generated)

000656876.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000656876.mol 000656876.PUBCHEM 000656876.mol (via Jmol)
000656879.b3lyp_6-31g(d).inp

000656879.b3lyp_6-31g(d).qchem.inp (generated)

000656879.b3lyp_6-31g(d).gjf (generated)

000656879.b3lyp_6-31g(d).firefly.inp (generated)

000656879.b3lyp_6-31g(d).smash.inp (generated)

000656879.b3lyp_6-31g(d).nwchem.inp (generated) 000656879.b3lyp_6-31g(d).log.xz 000656879.td-b3lyp_6-31g+(d).inp 000656879.td-b3lyp_6-31g+(d).log.xz

000656879.td-b3lyp_6-31+g(d).qchem.inp (generated)

000656879.td-b3lyp_6-31+g(d).gjf (generated)

000656879.td-b3lyp_6-31+g(d).firefly.inp (generated)

000656879.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000656879.mol 000656879.PUBCHEM 000656879.mol (via Jmol)
000656880.b3lyp_6-31g(d).inp

000656880.b3lyp_6-31g(d).qchem.inp (generated)

000656880.b3lyp_6-31g(d).gjf (generated)

000656880.b3lyp_6-31g(d).firefly.inp (generated)

000656880.b3lyp_6-31g(d).smash.inp (generated)

000656880.b3lyp_6-31g(d).nwchem.inp (generated) 000656880.b3lyp_6-31g(d).log.xz 000656880.mol 000656880.PUBCHEM 000656880.mol (via Jmol)
000656881.b3lyp_6-31g(d).inp

000656881.b3lyp_6-31g(d).qchem.inp (generated)

000656881.b3lyp_6-31g(d).gjf (generated)

000656881.b3lyp_6-31g(d).firefly.inp (generated)

000656881.b3lyp_6-31g(d).smash.inp (generated)

000656881.b3lyp_6-31g(d).nwchem.inp (generated) 000656881.b3lyp_6-31g(d).log.xz 000656881.mol 000656881.PUBCHEM 000656881.mol (via Jmol)
000656882.b3lyp_6-31g(d).inp

000656882.b3lyp_6-31g(d).qchem.inp (generated)

000656882.b3lyp_6-31g(d).gjf (generated)

000656882.b3lyp_6-31g(d).firefly.inp (generated)

000656882.b3lyp_6-31g(d).smash.inp (generated)

000656882.b3lyp_6-31g(d).nwchem.inp (generated) 000656882.b3lyp_6-31g(d).log.xz 000656882.td-b3lyp_6-31g+(d).inp 000656882.td-b3lyp_6-31g+(d).log.xz

000656882.td-b3lyp_6-31+g(d).qchem.inp (generated)

000656882.td-b3lyp_6-31+g(d).gjf (generated)

000656882.td-b3lyp_6-31+g(d).firefly.inp (generated)

000656882.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000656882.mol 000656882.PUBCHEM 000656882.mol (via Jmol)
000656883.b3lyp_6-31g(d).inp

000656883.b3lyp_6-31g(d).qchem.inp (generated)

000656883.b3lyp_6-31g(d).gjf (generated)

000656883.b3lyp_6-31g(d).firefly.inp (generated)

000656883.b3lyp_6-31g(d).smash.inp (generated)

000656883.b3lyp_6-31g(d).nwchem.inp (generated) 000656883.b3lyp_6-31g(d).log.xz 000656883.td-b3lyp_6-31g+(d).inp 000656883.td-b3lyp_6-31g+(d).log.xz

000656883.td-b3lyp_6-31+g(d).qchem.inp (generated)

000656883.td-b3lyp_6-31+g(d).gjf (generated)

000656883.td-b3lyp_6-31+g(d).firefly.inp (generated)

000656883.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000656883.mol 000656883.PUBCHEM 000656883.mol (via Jmol)
000656885.b3lyp_6-31g(d).inp

000656885.b3lyp_6-31g(d).qchem.inp (generated)

000656885.b3lyp_6-31g(d).gjf (generated)

000656885.b3lyp_6-31g(d).firefly.inp (generated)

000656885.b3lyp_6-31g(d).smash.inp (generated)

000656885.b3lyp_6-31g(d).nwchem.inp (generated) 000656885.b3lyp_6-31g(d).log.xz 000656885.td-b3lyp_6-31g+(d).inp 000656885.td-b3lyp_6-31g+(d).log.xz

000656885.td-b3lyp_6-31+g(d).qchem.inp (generated)

000656885.td-b3lyp_6-31+g(d).gjf (generated)

000656885.td-b3lyp_6-31+g(d).firefly.inp (generated)

000656885.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000656885.mol 000656885.PUBCHEM 000656885.mol (via Jmol)
000656925.b3lyp_6-31g(d).inp

000656925.b3lyp_6-31g(d).qchem.inp (generated)

000656925.b3lyp_6-31g(d).gjf (generated)

000656925.b3lyp_6-31g(d).firefly.inp (generated)

000656925.b3lyp_6-31g(d).smash.inp (generated)

000656925.b3lyp_6-31g(d).nwchem.inp (generated) 000656925.b3lyp_6-31g(d).log.xz 000656925.mol 000656925.PUBCHEM 000656925.mol (via Jmol)
000656936.b3lyp_6-31g(d).inp

000656936.b3lyp_6-31g(d).qchem.inp (generated)

000656936.b3lyp_6-31g(d).gjf (generated)

000656936.b3lyp_6-31g(d).firefly.inp (generated)

000656936.b3lyp_6-31g(d).smash.inp (generated)

000656936.b3lyp_6-31g(d).nwchem.inp (generated) 000656936.b3lyp_6-31g(d).log.xz 000656936.mol 000656936.PUBCHEM 000656936.mol (via Jmol)
000656947.b3lyp_6-31g(d).inp

000656947.b3lyp_6-31g(d).qchem.inp (generated)

000656947.b3lyp_6-31g(d).gjf (generated)

000656947.b3lyp_6-31g(d).firefly.inp (generated)

000656947.b3lyp_6-31g(d).smash.inp (generated)

000656947.b3lyp_6-31g(d).nwchem.inp (generated) 000656947.b3lyp_6-31g(d).log.xz 000656947.td-b3lyp_6-31g+(d).inp 000656947.td-b3lyp_6-31g+(d).log.xz

000656947.td-b3lyp_6-31+g(d).qchem.inp (generated)

000656947.td-b3lyp_6-31+g(d).gjf (generated)

000656947.td-b3lyp_6-31+g(d).firefly.inp (generated)

000656947.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000656947.mol 000656947.PUBCHEM 000656947.mol (via Jmol)
000656982.b3lyp_6-31g(d).inp

000656982.b3lyp_6-31g(d).qchem.inp (generated)

000656982.b3lyp_6-31g(d).gjf (generated)

000656982.b3lyp_6-31g(d).firefly.inp (generated)

000656982.b3lyp_6-31g(d).smash.inp (generated)

000656982.b3lyp_6-31g(d).nwchem.inp (generated) 000656982.b3lyp_6-31g(d).log.xz 000656982.td-b3lyp_6-31g+(d).inp 000656982.td-b3lyp_6-31g+(d).log.xz

000656982.td-b3lyp_6-31+g(d).qchem.inp (generated)

000656982.td-b3lyp_6-31+g(d).gjf (generated)

000656982.td-b3lyp_6-31+g(d).firefly.inp (generated)

000656982.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000656982.mol 000656982.PUBCHEM 000656982.mol (via Jmol)
000657008.b3lyp_6-31g(d).inp

000657008.b3lyp_6-31g(d).qchem.inp (generated)

000657008.b3lyp_6-31g(d).gjf (generated)

000657008.b3lyp_6-31g(d).firefly.inp (generated)

000657008.b3lyp_6-31g(d).smash.inp (generated)

000657008.b3lyp_6-31g(d).nwchem.inp (generated) 000657008.b3lyp_6-31g(d).log.xz 000657008.td-b3lyp_6-31g+(d).inp 000657008.td-b3lyp_6-31g+(d).log.xz

000657008.td-b3lyp_6-31+g(d).qchem.inp (generated)

000657008.td-b3lyp_6-31+g(d).gjf (generated)

000657008.td-b3lyp_6-31+g(d).firefly.inp (generated)

000657008.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000657008.mol 000657008.PUBCHEM 000657008.mol (via Jmol)
000657014.b3lyp_6-31g(d).inp

000657014.b3lyp_6-31g(d).qchem.inp (generated)

000657014.b3lyp_6-31g(d).gjf (generated)

000657014.b3lyp_6-31g(d).firefly.inp (generated)

000657014.b3lyp_6-31g(d).smash.inp (generated)

000657014.b3lyp_6-31g(d).nwchem.inp (generated) 000657014.b3lyp_6-31g(d).log.xz 000657014.td-b3lyp_6-31g+(d).inp 000657014.td-b3lyp_6-31g+(d).log.xz

000657014.td-b3lyp_6-31+g(d).qchem.inp (generated)

000657014.td-b3lyp_6-31+g(d).gjf (generated)

000657014.td-b3lyp_6-31+g(d).firefly.inp (generated)

000657014.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000657014.mol 000657014.PUBCHEM 000657014.mol (via Jmol)
000657060.b3lyp_6-31g(d).inp

000657060.b3lyp_6-31g(d).qchem.inp (generated)

000657060.b3lyp_6-31g(d).gjf (generated)

000657060.b3lyp_6-31g(d).firefly.inp (generated)

000657060.b3lyp_6-31g(d).smash.inp (generated)

000657060.b3lyp_6-31g(d).nwchem.inp (generated) 000657060.b3lyp_6-31g(d).log.xz 000657060.td-b3lyp_6-31g+(d).inp 000657060.td-b3lyp_6-31g+(d).log.xz

000657060.td-b3lyp_6-31+g(d).qchem.inp (generated)

000657060.td-b3lyp_6-31+g(d).gjf (generated)

000657060.td-b3lyp_6-31+g(d).firefly.inp (generated)

000657060.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000657060.mol 000657060.PUBCHEM 000657060.mol (via Jmol)
000657066.b3lyp_6-31g(d).inp

000657066.b3lyp_6-31g(d).qchem.inp (generated)

000657066.b3lyp_6-31g(d).gjf (generated)

000657066.b3lyp_6-31g(d).firefly.inp (generated)

000657066.b3lyp_6-31g(d).smash.inp (generated)

000657066.b3lyp_6-31g(d).nwchem.inp (generated) 000657066.b3lyp_6-31g(d).log.xz 000657066.td-b3lyp_6-31g+(d).inp 000657066.td-b3lyp_6-31g+(d).log.xz

000657066.td-b3lyp_6-31+g(d).qchem.inp (generated)

000657066.td-b3lyp_6-31+g(d).gjf (generated)

000657066.td-b3lyp_6-31+g(d).firefly.inp (generated)

000657066.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000657066.mol 000657066.PUBCHEM 000657066.mol (via Jmol)
000657068.b3lyp_6-31g(d).inp

000657068.b3lyp_6-31g(d).qchem.inp (generated)

000657068.b3lyp_6-31g(d).gjf (generated)

000657068.b3lyp_6-31g(d).firefly.inp (generated)

000657068.b3lyp_6-31g(d).smash.inp (generated)

000657068.b3lyp_6-31g(d).nwchem.inp (generated) 000657068.b3lyp_6-31g(d).log.xz 000657068.td-b3lyp_6-31g+(d).inp 000657068.td-b3lyp_6-31g+(d).log.xz

000657068.td-b3lyp_6-31+g(d).qchem.inp (generated)

000657068.td-b3lyp_6-31+g(d).gjf (generated)

000657068.td-b3lyp_6-31+g(d).firefly.inp (generated)

000657068.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000657068.mol 000657068.PUBCHEM 000657068.mol (via Jmol)
000657081.b3lyp_6-31g(d).inp

000657081.b3lyp_6-31g(d).qchem.inp (generated)

000657081.b3lyp_6-31g(d).gjf (generated)

000657081.b3lyp_6-31g(d).firefly.inp (generated)

000657081.b3lyp_6-31g(d).smash.inp (generated)

000657081.b3lyp_6-31g(d).nwchem.inp (generated) 000657081.b3lyp_6-31g(d).log.xz 000657081.mol 000657081.PUBCHEM 000657081.mol (via Jmol)
000657082.b3lyp_6-31g(d).inp

000657082.b3lyp_6-31g(d).qchem.inp (generated)

000657082.b3lyp_6-31g(d).gjf (generated)

000657082.b3lyp_6-31g(d).firefly.inp (generated)

000657082.b3lyp_6-31g(d).smash.inp (generated)

000657082.b3lyp_6-31g(d).nwchem.inp (generated) 000657082.b3lyp_6-31g(d).log.xz 000657082.td-b3lyp_6-31g+(d).inp 000657082.td-b3lyp_6-31g+(d).log.xz

000657082.td-b3lyp_6-31+g(d).qchem.inp (generated)

000657082.td-b3lyp_6-31+g(d).gjf (generated)

000657082.td-b3lyp_6-31+g(d).firefly.inp (generated)

000657082.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000657082.mol 000657082.PUBCHEM 000657082.mol (via Jmol)
000657086.b3lyp_6-31g(d).inp

000657086.b3lyp_6-31g(d).qchem.inp (generated)

000657086.b3lyp_6-31g(d).gjf (generated)

000657086.b3lyp_6-31g(d).firefly.inp (generated)

000657086.b3lyp_6-31g(d).smash.inp (generated)

000657086.b3lyp_6-31g(d).nwchem.inp (generated) 000657086.b3lyp_6-31g(d).log.xz 000657086.td-b3lyp_6-31g+(d).inp 000657086.td-b3lyp_6-31g+(d).log.xz

000657086.td-b3lyp_6-31+g(d).qchem.inp (generated)

000657086.td-b3lyp_6-31+g(d).gjf (generated)

000657086.td-b3lyp_6-31+g(d).firefly.inp (generated)

000657086.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000657086.mol 000657086.PUBCHEM 000657086.mol (via Jmol)
000657087.b3lyp_6-31g(d).inp

000657087.b3lyp_6-31g(d).qchem.inp (generated)

000657087.b3lyp_6-31g(d).gjf (generated)

000657087.b3lyp_6-31g(d).firefly.inp (generated)

000657087.b3lyp_6-31g(d).smash.inp (generated)

000657087.b3lyp_6-31g(d).nwchem.inp (generated) 000657087.b3lyp_6-31g(d).log.xz 000657087.td-b3lyp_6-31g+(d).inp 000657087.td-b3lyp_6-31g+(d).log.xz

000657087.td-b3lyp_6-31+g(d).qchem.inp (generated)

000657087.td-b3lyp_6-31+g(d).gjf (generated)

000657087.td-b3lyp_6-31+g(d).firefly.inp (generated)

000657087.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000657087.mol 000657087.PUBCHEM 000657087.mol (via Jmol)
000657097.b3lyp_6-31g(d).inp

000657097.b3lyp_6-31g(d).qchem.inp (generated)

000657097.b3lyp_6-31g(d).gjf (generated)

000657097.b3lyp_6-31g(d).firefly.inp (generated)

000657097.b3lyp_6-31g(d).smash.inp (generated)

000657097.b3lyp_6-31g(d).nwchem.inp (generated) 000657097.b3lyp_6-31g(d).log.xz 000657097.td-b3lyp_6-31g+(d).inp 000657097.td-b3lyp_6-31g+(d).log.xz

000657097.td-b3lyp_6-31+g(d).qchem.inp (generated)

000657097.td-b3lyp_6-31+g(d).gjf (generated)

000657097.td-b3lyp_6-31+g(d).firefly.inp (generated)

000657097.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000657097.mol 000657097.PUBCHEM 000657097.mol (via Jmol)
000657102.b3lyp_6-31g(d).inp

000657102.b3lyp_6-31g(d).qchem.inp (generated)

000657102.b3lyp_6-31g(d).gjf (generated)

000657102.b3lyp_6-31g(d).firefly.inp (generated)

000657102.b3lyp_6-31g(d).smash.inp (generated)

000657102.b3lyp_6-31g(d).nwchem.inp (generated) 000657102.b3lyp_6-31g(d).log.xz 000657102.td-b3lyp_6-31g+(d).inp 000657102.td-b3lyp_6-31g+(d).log.xz

000657102.td-b3lyp_6-31+g(d).qchem.inp (generated)

000657102.td-b3lyp_6-31+g(d).gjf (generated)

000657102.td-b3lyp_6-31+g(d).firefly.inp (generated)

000657102.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000657102.mol 000657102.PUBCHEM 000657102.mol (via Jmol)
000657113.b3lyp_6-31g(d).inp

000657113.b3lyp_6-31g(d).qchem.inp (generated)

000657113.b3lyp_6-31g(d).gjf (generated)

000657113.b3lyp_6-31g(d).firefly.inp (generated)

000657113.b3lyp_6-31g(d).smash.inp (generated)

000657113.b3lyp_6-31g(d).nwchem.inp (generated) 000657113.b3lyp_6-31g(d).log.xz 000657113.td-b3lyp_6-31g+(d).inp 000657113.td-b3lyp_6-31g+(d).log.xz

000657113.td-b3lyp_6-31+g(d).qchem.inp (generated)

000657113.td-b3lyp_6-31+g(d).gjf (generated)

000657113.td-b3lyp_6-31+g(d).firefly.inp (generated)

000657113.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000657113.mol 000657113.PUBCHEM 000657113.mol (via Jmol)
000657114.b3lyp_6-31g(d).inp

000657114.b3lyp_6-31g(d).qchem.inp (generated)

000657114.b3lyp_6-31g(d).gjf (generated)

000657114.b3lyp_6-31g(d).firefly.inp (generated)

000657114.b3lyp_6-31g(d).smash.inp (generated)

000657114.b3lyp_6-31g(d).nwchem.inp (generated) 000657114.b3lyp_6-31g(d).log.xz 000657114.td-b3lyp_6-31g+(d).inp 000657114.td-b3lyp_6-31g+(d).log.xz

000657114.td-b3lyp_6-31+g(d).qchem.inp (generated)

000657114.td-b3lyp_6-31+g(d).gjf (generated)

000657114.td-b3lyp_6-31+g(d).firefly.inp (generated)

000657114.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000657114.mol 000657114.PUBCHEM 000657114.mol (via Jmol)
000657115.b3lyp_6-31g(d).inp

000657115.b3lyp_6-31g(d).qchem.inp (generated)

000657115.b3lyp_6-31g(d).gjf (generated)

000657115.b3lyp_6-31g(d).firefly.inp (generated)

000657115.b3lyp_6-31g(d).smash.inp (generated)

000657115.b3lyp_6-31g(d).nwchem.inp (generated) 000657115.b3lyp_6-31g(d).log.xz 000657115.td-b3lyp_6-31g+(d).inp 000657115.td-b3lyp_6-31g+(d).log.xz

000657115.td-b3lyp_6-31+g(d).qchem.inp (generated)

000657115.td-b3lyp_6-31+g(d).gjf (generated)

000657115.td-b3lyp_6-31+g(d).firefly.inp (generated)

000657115.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000657115.mol 000657115.PUBCHEM 000657115.mol (via Jmol)
000657116.b3lyp_6-31g(d).inp

000657116.b3lyp_6-31g(d).qchem.inp (generated)

000657116.b3lyp_6-31g(d).gjf (generated)

000657116.b3lyp_6-31g(d).firefly.inp (generated)

000657116.b3lyp_6-31g(d).smash.inp (generated)

000657116.b3lyp_6-31g(d).nwchem.inp (generated) 000657116.b3lyp_6-31g(d).log.xz 000657116.td-b3lyp_6-31g+(d).inp 000657116.td-b3lyp_6-31g+(d).log.xz

000657116.td-b3lyp_6-31+g(d).qchem.inp (generated)

000657116.td-b3lyp_6-31+g(d).gjf (generated)

000657116.td-b3lyp_6-31+g(d).firefly.inp (generated)

000657116.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000657116.mol 000657116.PUBCHEM 000657116.mol (via Jmol)
000657117.b3lyp_6-31g(d).inp

000657117.b3lyp_6-31g(d).qchem.inp (generated)

000657117.b3lyp_6-31g(d).gjf (generated)

000657117.b3lyp_6-31g(d).firefly.inp (generated)

000657117.b3lyp_6-31g(d).smash.inp (generated)

000657117.b3lyp_6-31g(d).nwchem.inp (generated) 000657117.b3lyp_6-31g(d).log.xz 000657117.td-b3lyp_6-31g+(d).inp 000657117.td-b3lyp_6-31g+(d).log.xz

000657117.td-b3lyp_6-31+g(d).qchem.inp (generated)

000657117.td-b3lyp_6-31+g(d).gjf (generated)

000657117.td-b3lyp_6-31+g(d).firefly.inp (generated)

000657117.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000657117.mol 000657117.PUBCHEM 000657117.mol (via Jmol)
000657125.b3lyp_6-31g(d).inp

000657125.b3lyp_6-31g(d).qchem.inp (generated)

000657125.b3lyp_6-31g(d).gjf (generated)

000657125.b3lyp_6-31g(d).firefly.inp (generated)

000657125.b3lyp_6-31g(d).smash.inp (generated)

000657125.b3lyp_6-31g(d).nwchem.inp (generated) 000657125.b3lyp_6-31g(d).log.xz 000657125.td-b3lyp_6-31g+(d).inp 000657125.td-b3lyp_6-31g+(d).log.xz

000657125.td-b3lyp_6-31+g(d).qchem.inp (generated)

000657125.td-b3lyp_6-31+g(d).gjf (generated)

000657125.td-b3lyp_6-31+g(d).firefly.inp (generated)

000657125.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000657125.mol 000657125.PUBCHEM 000657125.mol (via Jmol)
000657164.b3lyp_6-31g(d).inp

000657164.b3lyp_6-31g(d).qchem.inp (generated)

000657164.b3lyp_6-31g(d).gjf (generated)

000657164.b3lyp_6-31g(d).firefly.inp (generated)

000657164.b3lyp_6-31g(d).smash.inp (generated)

000657164.b3lyp_6-31g(d).nwchem.inp (generated) 000657164.b3lyp_6-31g(d).log.xz 000657164.td-b3lyp_6-31g+(d).inp 000657164.td-b3lyp_6-31g+(d).log.xz

000657164.td-b3lyp_6-31+g(d).qchem.inp (generated)

000657164.td-b3lyp_6-31+g(d).gjf (generated)

000657164.td-b3lyp_6-31+g(d).firefly.inp (generated)

000657164.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000657164.mol 000657164.PUBCHEM 000657164.mol (via Jmol)
000657167.b3lyp_6-31g(d).inp

000657167.b3lyp_6-31g(d).qchem.inp (generated)

000657167.b3lyp_6-31g(d).gjf (generated)

000657167.b3lyp_6-31g(d).firefly.inp (generated)

000657167.b3lyp_6-31g(d).smash.inp (generated)

000657167.b3lyp_6-31g(d).nwchem.inp (generated) 000657167.b3lyp_6-31g(d).log.xz 000657167.td-b3lyp_6-31g+(d).inp 000657167.td-b3lyp_6-31g+(d).log.xz

000657167.td-b3lyp_6-31+g(d).qchem.inp (generated)

000657167.td-b3lyp_6-31+g(d).gjf (generated)

000657167.td-b3lyp_6-31+g(d).firefly.inp (generated)

000657167.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000657167.mol 000657167.PUBCHEM 000657167.mol (via Jmol)
000657298.b3lyp_6-31g(d).inp

000657298.b3lyp_6-31g(d).qchem.inp (generated)

000657298.b3lyp_6-31g(d).gjf (generated)

000657298.b3lyp_6-31g(d).firefly.inp (generated)

000657298.b3lyp_6-31g(d).smash.inp (generated)

000657298.b3lyp_6-31g(d).nwchem.inp (generated) 000657298.b3lyp_6-31g(d).log.xz 000657298.td-b3lyp_6-31g+(d).inp 000657298.td-b3lyp_6-31g+(d).log.xz

000657298.td-b3lyp_6-31+g(d).qchem.inp (generated)

000657298.td-b3lyp_6-31+g(d).gjf (generated)

000657298.td-b3lyp_6-31+g(d).firefly.inp (generated)

000657298.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000657298.mol 000657298.PUBCHEM 000657298.mol (via Jmol)
000657347.b3lyp_6-31g(d).inp

000657347.b3lyp_6-31g(d).qchem.inp (generated)

000657347.b3lyp_6-31g(d).gjf (generated)

000657347.b3lyp_6-31g(d).firefly.inp (generated)

000657347.b3lyp_6-31g(d).smash.inp (generated)

000657347.b3lyp_6-31g(d).nwchem.inp (generated) 000657347.b3lyp_6-31g(d).log.xz 000657347.td-b3lyp_6-31g+(d).inp 000657347.td-b3lyp_6-31g+(d).log.xz

000657347.td-b3lyp_6-31+g(d).qchem.inp (generated)

000657347.td-b3lyp_6-31+g(d).gjf (generated)

000657347.td-b3lyp_6-31+g(d).firefly.inp (generated)

000657347.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000657347.mol 000657347.PUBCHEM 000657347.mol (via Jmol)
000657407.b3lyp_6-31g(d).inp

000657407.b3lyp_6-31g(d).qchem.inp (generated)

000657407.b3lyp_6-31g(d).gjf (generated)

000657407.b3lyp_6-31g(d).firefly.inp (generated)

000657407.b3lyp_6-31g(d).smash.inp (generated)

000657407.b3lyp_6-31g(d).nwchem.inp (generated) 000657407.b3lyp_6-31g(d).log.xz 000657407.td-b3lyp_6-31g+(d).inp 000657407.td-b3lyp_6-31g+(d).log.xz

000657407.td-b3lyp_6-31+g(d).qchem.inp (generated)

000657407.td-b3lyp_6-31+g(d).gjf (generated)

000657407.td-b3lyp_6-31+g(d).firefly.inp (generated)

000657407.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000657407.mol 000657407.PUBCHEM 000657407.mol (via Jmol)
000657409.b3lyp_6-31g(d).inp

000657409.b3lyp_6-31g(d).qchem.inp (generated)

000657409.b3lyp_6-31g(d).gjf (generated)

000657409.b3lyp_6-31g(d).firefly.inp (generated)

000657409.b3lyp_6-31g(d).smash.inp (generated)

000657409.b3lyp_6-31g(d).nwchem.inp (generated) 000657409.b3lyp_6-31g(d).log.xz 000657409.td-b3lyp_6-31g+(d).inp 000657409.td-b3lyp_6-31g+(d).log.xz

000657409.td-b3lyp_6-31+g(d).qchem.inp (generated)

000657409.td-b3lyp_6-31+g(d).gjf (generated)

000657409.td-b3lyp_6-31+g(d).firefly.inp (generated)

000657409.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000657409.mol 000657409.PUBCHEM 000657409.mol (via Jmol)
000657413.b3lyp_6-31g(d).inp

000657413.b3lyp_6-31g(d).qchem.inp (generated)

000657413.b3lyp_6-31g(d).gjf (generated)

000657413.b3lyp_6-31g(d).firefly.inp (generated)

000657413.b3lyp_6-31g(d).smash.inp (generated)

000657413.b3lyp_6-31g(d).nwchem.inp (generated) 000657413.b3lyp_6-31g(d).log.xz 000657413.td-b3lyp_6-31g+(d).inp 000657413.td-b3lyp_6-31g+(d).log.xz

000657413.td-b3lyp_6-31+g(d).qchem.inp (generated)

000657413.td-b3lyp_6-31+g(d).gjf (generated)

000657413.td-b3lyp_6-31+g(d).firefly.inp (generated)

000657413.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000657413.mol 000657413.PUBCHEM 000657413.mol (via Jmol)
000657419.b3lyp_6-31g(d).inp

000657419.b3lyp_6-31g(d).qchem.inp (generated)

000657419.b3lyp_6-31g(d).gjf (generated)

000657419.b3lyp_6-31g(d).firefly.inp (generated)

000657419.b3lyp_6-31g(d).smash.inp (generated)

000657419.b3lyp_6-31g(d).nwchem.inp (generated) 000657419.b3lyp_6-31g(d).log.xz 000657419.td-b3lyp_6-31g+(d).inp 000657419.td-b3lyp_6-31g+(d).log.xz

000657419.td-b3lyp_6-31+g(d).qchem.inp (generated)

000657419.td-b3lyp_6-31+g(d).gjf (generated)

000657419.td-b3lyp_6-31+g(d).firefly.inp (generated)

000657419.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000657419.mol 000657419.PUBCHEM 000657419.mol (via Jmol)
000657426.b3lyp_6-31g(d).inp

000657426.b3lyp_6-31g(d).qchem.inp (generated)

000657426.b3lyp_6-31g(d).gjf (generated)

000657426.b3lyp_6-31g(d).firefly.inp (generated)

000657426.b3lyp_6-31g(d).smash.inp (generated)

000657426.b3lyp_6-31g(d).nwchem.inp (generated) 000657426.b3lyp_6-31g(d).log.xz 000657426.td-b3lyp_6-31g+(d).inp 000657426.td-b3lyp_6-31g+(d).log.xz

000657426.td-b3lyp_6-31+g(d).qchem.inp (generated)

000657426.td-b3lyp_6-31+g(d).gjf (generated)

000657426.td-b3lyp_6-31+g(d).firefly.inp (generated)

000657426.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000657426.mol 000657426.PUBCHEM 000657426.mol (via Jmol)
000657436.b3lyp_6-31g(d).inp

000657436.b3lyp_6-31g(d).qchem.inp (generated)

000657436.b3lyp_6-31g(d).gjf (generated)

000657436.b3lyp_6-31g(d).firefly.inp (generated)

000657436.b3lyp_6-31g(d).smash.inp (generated)

000657436.b3lyp_6-31g(d).nwchem.inp (generated) 000657436.b3lyp_6-31g(d).log.xz 000657436.td-b3lyp_6-31g+(d).inp 000657436.td-b3lyp_6-31g+(d).log.xz

000657436.td-b3lyp_6-31+g(d).qchem.inp (generated)

000657436.td-b3lyp_6-31+g(d).gjf (generated)

000657436.td-b3lyp_6-31+g(d).firefly.inp (generated)

000657436.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000657436.mol 000657436.PUBCHEM 000657436.mol (via Jmol)
000657447.b3lyp_6-31g(d).inp

000657447.b3lyp_6-31g(d).qchem.inp (generated)

000657447.b3lyp_6-31g(d).gjf (generated)

000657447.b3lyp_6-31g(d).firefly.inp (generated)

000657447.b3lyp_6-31g(d).smash.inp (generated)

000657447.b3lyp_6-31g(d).nwchem.inp (generated) 000657447.b3lyp_6-31g(d).log.xz 000657447.td-b3lyp_6-31g+(d).inp 000657447.td-b3lyp_6-31g+(d).log.xz

000657447.td-b3lyp_6-31+g(d).qchem.inp (generated)

000657447.td-b3lyp_6-31+g(d).gjf (generated)

000657447.td-b3lyp_6-31+g(d).firefly.inp (generated)

000657447.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000657447.mol 000657447.PUBCHEM 000657447.mol (via Jmol)
000657448.b3lyp_6-31g(d).inp

000657448.b3lyp_6-31g(d).qchem.inp (generated)

000657448.b3lyp_6-31g(d).gjf (generated)

000657448.b3lyp_6-31g(d).firefly.inp (generated)

000657448.b3lyp_6-31g(d).smash.inp (generated)

000657448.b3lyp_6-31g(d).nwchem.inp (generated) 000657448.b3lyp_6-31g(d).log.xz 000657448.td-b3lyp_6-31g+(d).inp 000657448.td-b3lyp_6-31g+(d).log.xz

000657448.td-b3lyp_6-31+g(d).qchem.inp (generated)

000657448.td-b3lyp_6-31+g(d).gjf (generated)

000657448.td-b3lyp_6-31+g(d).firefly.inp (generated)

000657448.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000657448.mol 000657448.PUBCHEM 000657448.mol (via Jmol)
000657450.b3lyp_6-31g(d).inp

000657450.b3lyp_6-31g(d).qchem.inp (generated)

000657450.b3lyp_6-31g(d).gjf (generated)

000657450.b3lyp_6-31g(d).firefly.inp (generated)

000657450.b3lyp_6-31g(d).smash.inp (generated)

000657450.b3lyp_6-31g(d).nwchem.inp (generated) 000657450.b3lyp_6-31g(d).log.xz 000657450.td-b3lyp_6-31g+(d).inp 000657450.td-b3lyp_6-31g+(d).log.xz

000657450.td-b3lyp_6-31+g(d).qchem.inp (generated)

000657450.td-b3lyp_6-31+g(d).gjf (generated)

000657450.td-b3lyp_6-31+g(d).firefly.inp (generated)

000657450.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000657450.mol 000657450.PUBCHEM 000657450.mol (via Jmol)
000657455.b3lyp_6-31g(d).inp

000657455.b3lyp_6-31g(d).qchem.inp (generated)

000657455.b3lyp_6-31g(d).gjf (generated)

000657455.b3lyp_6-31g(d).firefly.inp (generated)

000657455.b3lyp_6-31g(d).smash.inp (generated)

000657455.b3lyp_6-31g(d).nwchem.inp (generated) 000657455.b3lyp_6-31g(d).log.xz 000657455.td-b3lyp_6-31g+(d).inp 000657455.td-b3lyp_6-31g+(d).log.xz

000657455.td-b3lyp_6-31+g(d).qchem.inp (generated)

000657455.td-b3lyp_6-31+g(d).gjf (generated)

000657455.td-b3lyp_6-31+g(d).firefly.inp (generated)

000657455.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000657455.mol 000657455.PUBCHEM 000657455.mol (via Jmol)
000657472.b3lyp_6-31g(d).inp

000657472.b3lyp_6-31g(d).qchem.inp (generated)

000657472.b3lyp_6-31g(d).gjf (generated)

000657472.b3lyp_6-31g(d).firefly.inp (generated)

000657472.b3lyp_6-31g(d).smash.inp (generated)

000657472.b3lyp_6-31g(d).nwchem.inp (generated) 000657472.b3lyp_6-31g(d).log.xz 000657472.td-b3lyp_6-31g+(d).inp 000657472.td-b3lyp_6-31g+(d).log.xz

000657472.td-b3lyp_6-31+g(d).qchem.inp (generated)

000657472.td-b3lyp_6-31+g(d).gjf (generated)

000657472.td-b3lyp_6-31+g(d).firefly.inp (generated)

000657472.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000657472.mol 000657472.PUBCHEM 000657472.mol (via Jmol)
000657473.b3lyp_6-31g(d).inp

000657473.b3lyp_6-31g(d).qchem.inp (generated)

000657473.b3lyp_6-31g(d).gjf (generated)

000657473.b3lyp_6-31g(d).firefly.inp (generated)

000657473.b3lyp_6-31g(d).smash.inp (generated)

000657473.b3lyp_6-31g(d).nwchem.inp (generated) 000657473.b3lyp_6-31g(d).log.xz 000657473.td-b3lyp_6-31g+(d).inp 000657473.td-b3lyp_6-31g+(d).log.xz

000657473.td-b3lyp_6-31+g(d).qchem.inp (generated)

000657473.td-b3lyp_6-31+g(d).gjf (generated)

000657473.td-b3lyp_6-31+g(d).firefly.inp (generated)

000657473.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000657473.mol 000657473.PUBCHEM 000657473.mol (via Jmol)
000657480.b3lyp_6-31g(d).inp

000657480.b3lyp_6-31g(d).qchem.inp (generated)

000657480.b3lyp_6-31g(d).gjf (generated)

000657480.b3lyp_6-31g(d).firefly.inp (generated)

000657480.b3lyp_6-31g(d).smash.inp (generated)

000657480.b3lyp_6-31g(d).nwchem.inp (generated) 000657480.b3lyp_6-31g(d).log.xz 000657480.td-b3lyp_6-31g+(d).inp 000657480.td-b3lyp_6-31g+(d).log.xz

000657480.td-b3lyp_6-31+g(d).qchem.inp (generated)

000657480.td-b3lyp_6-31+g(d).gjf (generated)

000657480.td-b3lyp_6-31+g(d).firefly.inp (generated)

000657480.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000657480.mol 000657480.PUBCHEM 000657480.mol (via Jmol)
000657482.b3lyp_6-31g(d).inp

000657482.b3lyp_6-31g(d).qchem.inp (generated)

000657482.b3lyp_6-31g(d).gjf (generated)

000657482.b3lyp_6-31g(d).firefly.inp (generated)

000657482.b3lyp_6-31g(d).smash.inp (generated)

000657482.b3lyp_6-31g(d).nwchem.inp (generated) 000657482.b3lyp_6-31g(d).log.xz 000657482.td-b3lyp_6-31g+(d).inp 000657482.td-b3lyp_6-31g+(d).log.xz

000657482.td-b3lyp_6-31+g(d).qchem.inp (generated)

000657482.td-b3lyp_6-31+g(d).gjf (generated)

000657482.td-b3lyp_6-31+g(d).firefly.inp (generated)

000657482.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000657482.mol 000657482.PUBCHEM 000657482.mol (via Jmol)
000657492.b3lyp_6-31g(d).inp

000657492.b3lyp_6-31g(d).qchem.inp (generated)

000657492.b3lyp_6-31g(d).gjf (generated)

000657492.b3lyp_6-31g(d).firefly.inp (generated)

000657492.b3lyp_6-31g(d).smash.inp (generated)

000657492.b3lyp_6-31g(d).nwchem.inp (generated) 000657492.b3lyp_6-31g(d).log.xz 000657492.td-b3lyp_6-31g+(d).inp 000657492.td-b3lyp_6-31g+(d).log.xz

000657492.td-b3lyp_6-31+g(d).qchem.inp (generated)

000657492.td-b3lyp_6-31+g(d).gjf (generated)

000657492.td-b3lyp_6-31+g(d).firefly.inp (generated)

000657492.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000657492.mol 000657492.PUBCHEM 000657492.mol (via Jmol)
000657495.b3lyp_6-31g(d).inp

000657495.b3lyp_6-31g(d).qchem.inp (generated)

000657495.b3lyp_6-31g(d).gjf (generated)

000657495.b3lyp_6-31g(d).firefly.inp (generated)

000657495.b3lyp_6-31g(d).smash.inp (generated)

000657495.b3lyp_6-31g(d).nwchem.inp (generated) 000657495.b3lyp_6-31g(d).log.xz 000657495.td-b3lyp_6-31g+(d).inp 000657495.td-b3lyp_6-31g+(d).log.xz

000657495.td-b3lyp_6-31+g(d).qchem.inp (generated)

000657495.td-b3lyp_6-31+g(d).gjf (generated)

000657495.td-b3lyp_6-31+g(d).firefly.inp (generated)

000657495.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000657495.mol 000657495.PUBCHEM 000657495.mol (via Jmol)
000657496.b3lyp_6-31g(d).inp

000657496.b3lyp_6-31g(d).qchem.inp (generated)

000657496.b3lyp_6-31g(d).gjf (generated)

000657496.b3lyp_6-31g(d).firefly.inp (generated)

000657496.b3lyp_6-31g(d).smash.inp (generated)

000657496.b3lyp_6-31g(d).nwchem.inp (generated) 000657496.b3lyp_6-31g(d).log.xz 000657496.td-b3lyp_6-31g+(d).inp 000657496.td-b3lyp_6-31g+(d).log.xz

000657496.td-b3lyp_6-31+g(d).qchem.inp (generated)

000657496.td-b3lyp_6-31+g(d).gjf (generated)

000657496.td-b3lyp_6-31+g(d).firefly.inp (generated)

000657496.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000657496.mol 000657496.PUBCHEM 000657496.mol (via Jmol)
000657503.b3lyp_6-31g(d).inp

000657503.b3lyp_6-31g(d).qchem.inp (generated)

000657503.b3lyp_6-31g(d).gjf (generated)

000657503.b3lyp_6-31g(d).firefly.inp (generated)

000657503.b3lyp_6-31g(d).smash.inp (generated)

000657503.b3lyp_6-31g(d).nwchem.inp (generated) 000657503.b3lyp_6-31g(d).log.xz 000657503.td-b3lyp_6-31g+(d).inp 000657503.td-b3lyp_6-31g+(d).log.xz

000657503.td-b3lyp_6-31+g(d).qchem.inp (generated)

000657503.td-b3lyp_6-31+g(d).gjf (generated)

000657503.td-b3lyp_6-31+g(d).firefly.inp (generated)

000657503.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000657503.mol 000657503.PUBCHEM 000657503.mol (via Jmol)
000657511.b3lyp_6-31g(d).inp

000657511.b3lyp_6-31g(d).qchem.inp (generated)

000657511.b3lyp_6-31g(d).gjf (generated)

000657511.b3lyp_6-31g(d).firefly.inp (generated)

000657511.b3lyp_6-31g(d).smash.inp (generated)

000657511.b3lyp_6-31g(d).nwchem.inp (generated) 000657511.b3lyp_6-31g(d).log.xz 000657511.td-b3lyp_6-31g+(d).inp 000657511.td-b3lyp_6-31g+(d).log.xz

000657511.td-b3lyp_6-31+g(d).qchem.inp (generated)

000657511.td-b3lyp_6-31+g(d).gjf (generated)

000657511.td-b3lyp_6-31+g(d).firefly.inp (generated)

000657511.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000657511.mol 000657511.PUBCHEM 000657511.mol (via Jmol)
000657513.b3lyp_6-31g(d).inp

000657513.b3lyp_6-31g(d).qchem.inp (generated)

000657513.b3lyp_6-31g(d).gjf (generated)

000657513.b3lyp_6-31g(d).firefly.inp (generated)

000657513.b3lyp_6-31g(d).smash.inp (generated)

000657513.b3lyp_6-31g(d).nwchem.inp (generated) 000657513.b3lyp_6-31g(d).log.xz 000657513.td-b3lyp_6-31g+(d).inp 000657513.td-b3lyp_6-31g+(d).log.xz

000657513.td-b3lyp_6-31+g(d).qchem.inp (generated)

000657513.td-b3lyp_6-31+g(d).gjf (generated)

000657513.td-b3lyp_6-31+g(d).firefly.inp (generated)

000657513.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000657513.mol 000657513.PUBCHEM 000657513.mol (via Jmol)
000657517.b3lyp_6-31g(d).inp

000657517.b3lyp_6-31g(d).qchem.inp (generated)

000657517.b3lyp_6-31g(d).gjf (generated)

000657517.b3lyp_6-31g(d).firefly.inp (generated)

000657517.b3lyp_6-31g(d).smash.inp (generated)

000657517.b3lyp_6-31g(d).nwchem.inp (generated) 000657517.b3lyp_6-31g(d).log.xz 000657517.td-b3lyp_6-31g+(d).inp 000657517.td-b3lyp_6-31g+(d).log.xz

000657517.td-b3lyp_6-31+g(d).qchem.inp (generated)

000657517.td-b3lyp_6-31+g(d).gjf (generated)

000657517.td-b3lyp_6-31+g(d).firefly.inp (generated)

000657517.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000657517.mol 000657517.PUBCHEM 000657517.mol (via Jmol)
000657521.b3lyp_6-31g(d).inp

000657521.b3lyp_6-31g(d).qchem.inp (generated)

000657521.b3lyp_6-31g(d).gjf (generated)

000657521.b3lyp_6-31g(d).firefly.inp (generated)

000657521.b3lyp_6-31g(d).smash.inp (generated)

000657521.b3lyp_6-31g(d).nwchem.inp (generated) 000657521.b3lyp_6-31g(d).log.xz 000657521.td-b3lyp_6-31g+(d).inp 000657521.td-b3lyp_6-31g+(d).log.xz

000657521.td-b3lyp_6-31+g(d).qchem.inp (generated)

000657521.td-b3lyp_6-31+g(d).gjf (generated)

000657521.td-b3lyp_6-31+g(d).firefly.inp (generated)

000657521.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000657521.mol 000657521.PUBCHEM 000657521.mol (via Jmol)
000657526.b3lyp_6-31g(d).inp

000657526.b3lyp_6-31g(d).qchem.inp (generated)

000657526.b3lyp_6-31g(d).gjf (generated)

000657526.b3lyp_6-31g(d).firefly.inp (generated)

000657526.b3lyp_6-31g(d).smash.inp (generated)

000657526.b3lyp_6-31g(d).nwchem.inp (generated) 000657526.b3lyp_6-31g(d).log.xz 000657526.mol 000657526.PUBCHEM 000657526.mol (via Jmol)
000657530.b3lyp_6-31g(d).inp

000657530.b3lyp_6-31g(d).qchem.inp (generated)

000657530.b3lyp_6-31g(d).gjf (generated)

000657530.b3lyp_6-31g(d).firefly.inp (generated)

000657530.b3lyp_6-31g(d).smash.inp (generated)

000657530.b3lyp_6-31g(d).nwchem.inp (generated) 000657530.b3lyp_6-31g(d).log.xz 000657530.mol 000657530.PUBCHEM 000657530.mol (via Jmol)
000657537.b3lyp_6-31g(d).inp

000657537.b3lyp_6-31g(d).qchem.inp (generated)

000657537.b3lyp_6-31g(d).gjf (generated)

000657537.b3lyp_6-31g(d).firefly.inp (generated)

000657537.b3lyp_6-31g(d).smash.inp (generated)

000657537.b3lyp_6-31g(d).nwchem.inp (generated) 000657537.b3lyp_6-31g(d).log.xz 000657537.td-b3lyp_6-31g+(d).inp 000657537.td-b3lyp_6-31g+(d).log.xz

000657537.td-b3lyp_6-31+g(d).qchem.inp (generated)

000657537.td-b3lyp_6-31+g(d).gjf (generated)

000657537.td-b3lyp_6-31+g(d).firefly.inp (generated)

000657537.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000657537.mol 000657537.PUBCHEM 000657537.mol (via Jmol)
000657539.b3lyp_6-31g(d).inp

000657539.b3lyp_6-31g(d).qchem.inp (generated)

000657539.b3lyp_6-31g(d).gjf (generated)

000657539.b3lyp_6-31g(d).firefly.inp (generated)

000657539.b3lyp_6-31g(d).smash.inp (generated)

000657539.b3lyp_6-31g(d).nwchem.inp (generated) 000657539.b3lyp_6-31g(d).log.xz 000657539.td-b3lyp_6-31g+(d).inp 000657539.td-b3lyp_6-31g+(d).log.xz

000657539.td-b3lyp_6-31+g(d).qchem.inp (generated)

000657539.td-b3lyp_6-31+g(d).gjf (generated)

000657539.td-b3lyp_6-31+g(d).firefly.inp (generated)

000657539.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000657539.mol 000657539.PUBCHEM 000657539.mol (via Jmol)
000657541.b3lyp_6-31g(d).inp

000657541.b3lyp_6-31g(d).qchem.inp (generated)

000657541.b3lyp_6-31g(d).gjf (generated)

000657541.b3lyp_6-31g(d).firefly.inp (generated)

000657541.b3lyp_6-31g(d).smash.inp (generated)

000657541.b3lyp_6-31g(d).nwchem.inp (generated) 000657541.b3lyp_6-31g(d).log.xz 000657541.td-b3lyp_6-31g+(d).inp 000657541.td-b3lyp_6-31g+(d).log.xz

000657541.td-b3lyp_6-31+g(d).qchem.inp (generated)

000657541.td-b3lyp_6-31+g(d).gjf (generated)

000657541.td-b3lyp_6-31+g(d).firefly.inp (generated)

000657541.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000657541.mol 000657541.PUBCHEM 000657541.mol (via Jmol)
000657543.b3lyp_6-31g(d).inp

000657543.b3lyp_6-31g(d).qchem.inp (generated)

000657543.b3lyp_6-31g(d).gjf (generated)

000657543.b3lyp_6-31g(d).firefly.inp (generated)

000657543.b3lyp_6-31g(d).smash.inp (generated)

000657543.b3lyp_6-31g(d).nwchem.inp (generated) 000657543.b3lyp_6-31g(d).log.xz 000657543.td-b3lyp_6-31g+(d).inp 000657543.td-b3lyp_6-31g+(d).log.xz

000657543.td-b3lyp_6-31+g(d).qchem.inp (generated)

000657543.td-b3lyp_6-31+g(d).gjf (generated)

000657543.td-b3lyp_6-31+g(d).firefly.inp (generated)

000657543.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000657543.mol 000657543.PUBCHEM 000657543.mol (via Jmol)
000657545.b3lyp_6-31g(d).inp

000657545.b3lyp_6-31g(d).qchem.inp (generated)

000657545.b3lyp_6-31g(d).gjf (generated)

000657545.b3lyp_6-31g(d).firefly.inp (generated)

000657545.b3lyp_6-31g(d).smash.inp (generated)

000657545.b3lyp_6-31g(d).nwchem.inp (generated) 000657545.b3lyp_6-31g(d).log.xz 000657545.td-b3lyp_6-31g+(d).inp 000657545.td-b3lyp_6-31g+(d).log.xz

000657545.td-b3lyp_6-31+g(d).qchem.inp (generated)

000657545.td-b3lyp_6-31+g(d).gjf (generated)

000657545.td-b3lyp_6-31+g(d).firefly.inp (generated)

000657545.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000657545.mol 000657545.PUBCHEM 000657545.mol (via Jmol)
000657549.b3lyp_6-31g(d).inp

000657549.b3lyp_6-31g(d).qchem.inp (generated)

000657549.b3lyp_6-31g(d).gjf (generated)

000657549.b3lyp_6-31g(d).firefly.inp (generated)

000657549.b3lyp_6-31g(d).smash.inp (generated)

000657549.b3lyp_6-31g(d).nwchem.inp (generated) 000657549.b3lyp_6-31g(d).log.xz 000657549.td-b3lyp_6-31g+(d).inp 000657549.td-b3lyp_6-31g+(d).log.xz

000657549.td-b3lyp_6-31+g(d).qchem.inp (generated)

000657549.td-b3lyp_6-31+g(d).gjf (generated)

000657549.td-b3lyp_6-31+g(d).firefly.inp (generated)

000657549.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000657549.mol 000657549.PUBCHEM 000657549.mol (via Jmol)
000657554.b3lyp_6-31g(d).inp

000657554.b3lyp_6-31g(d).qchem.inp (generated)

000657554.b3lyp_6-31g(d).gjf (generated)

000657554.b3lyp_6-31g(d).firefly.inp (generated)

000657554.b3lyp_6-31g(d).smash.inp (generated)

000657554.b3lyp_6-31g(d).nwchem.inp (generated) 000657554.b3lyp_6-31g(d).log.xz 000657554.td-b3lyp_6-31g+(d).inp 000657554.td-b3lyp_6-31g+(d).log.xz

000657554.td-b3lyp_6-31+g(d).qchem.inp (generated)

000657554.td-b3lyp_6-31+g(d).gjf (generated)

000657554.td-b3lyp_6-31+g(d).firefly.inp (generated)

000657554.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000657554.mol 000657554.PUBCHEM 000657554.mol (via Jmol)
000657559.b3lyp_6-31g(d).inp

000657559.b3lyp_6-31g(d).qchem.inp (generated)

000657559.b3lyp_6-31g(d).gjf (generated)

000657559.b3lyp_6-31g(d).firefly.inp (generated)

000657559.b3lyp_6-31g(d).smash.inp (generated)

000657559.b3lyp_6-31g(d).nwchem.inp (generated) 000657559.b3lyp_6-31g(d).log.xz 000657559.td-b3lyp_6-31g+(d).inp 000657559.td-b3lyp_6-31g+(d).log.xz

000657559.td-b3lyp_6-31+g(d).qchem.inp (generated)

000657559.td-b3lyp_6-31+g(d).gjf (generated)

000657559.td-b3lyp_6-31+g(d).firefly.inp (generated)

000657559.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000657559.mol 000657559.PUBCHEM 000657559.mol (via Jmol)
000657562.b3lyp_6-31g(d).inp

000657562.b3lyp_6-31g(d).qchem.inp (generated)

000657562.b3lyp_6-31g(d).gjf (generated)

000657562.b3lyp_6-31g(d).firefly.inp (generated)

000657562.b3lyp_6-31g(d).smash.inp (generated)

000657562.b3lyp_6-31g(d).nwchem.inp (generated) 000657562.b3lyp_6-31g(d).log.xz 000657562.td-b3lyp_6-31g+(d).inp 000657562.td-b3lyp_6-31g+(d).log.xz

000657562.td-b3lyp_6-31+g(d).qchem.inp (generated)

000657562.td-b3lyp_6-31+g(d).gjf (generated)

000657562.td-b3lyp_6-31+g(d).firefly.inp (generated)

000657562.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000657562.mol 000657562.PUBCHEM 000657562.mol (via Jmol)
000657565.b3lyp_6-31g(d).inp

000657565.b3lyp_6-31g(d).qchem.inp (generated)

000657565.b3lyp_6-31g(d).gjf (generated)

000657565.b3lyp_6-31g(d).firefly.inp (generated)

000657565.b3lyp_6-31g(d).smash.inp (generated)

000657565.b3lyp_6-31g(d).nwchem.inp (generated) 000657565.b3lyp_6-31g(d).log.xz 000657565.td-b3lyp_6-31g+(d).inp 000657565.td-b3lyp_6-31g+(d).log.xz

000657565.td-b3lyp_6-31+g(d).qchem.inp (generated)

000657565.td-b3lyp_6-31+g(d).gjf (generated)

000657565.td-b3lyp_6-31+g(d).firefly.inp (generated)

000657565.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000657565.mol 000657565.PUBCHEM 000657565.mol (via Jmol)
000657569.b3lyp_6-31g(d).inp

000657569.b3lyp_6-31g(d).qchem.inp (generated)

000657569.b3lyp_6-31g(d).gjf (generated)

000657569.b3lyp_6-31g(d).firefly.inp (generated)

000657569.b3lyp_6-31g(d).smash.inp (generated)

000657569.b3lyp_6-31g(d).nwchem.inp (generated) 000657569.b3lyp_6-31g(d).log.xz 000657569.td-b3lyp_6-31g+(d).inp 000657569.td-b3lyp_6-31g+(d).log.xz

000657569.td-b3lyp_6-31+g(d).qchem.inp (generated)

000657569.td-b3lyp_6-31+g(d).gjf (generated)

000657569.td-b3lyp_6-31+g(d).firefly.inp (generated)

000657569.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000657569.mol 000657569.PUBCHEM 000657569.mol (via Jmol)
000657570.b3lyp_6-31g(d).inp

000657570.b3lyp_6-31g(d).qchem.inp (generated)

000657570.b3lyp_6-31g(d).gjf (generated)

000657570.b3lyp_6-31g(d).firefly.inp (generated)

000657570.b3lyp_6-31g(d).smash.inp (generated)

000657570.b3lyp_6-31g(d).nwchem.inp (generated) 000657570.b3lyp_6-31g(d).log.xz 000657570.td-b3lyp_6-31g+(d).inp 000657570.td-b3lyp_6-31g+(d).log.xz

000657570.td-b3lyp_6-31+g(d).qchem.inp (generated)

000657570.td-b3lyp_6-31+g(d).gjf (generated)

000657570.td-b3lyp_6-31+g(d).firefly.inp (generated)

000657570.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000657570.mol 000657570.PUBCHEM 000657570.mol (via Jmol)
000657573.b3lyp_6-31g(d).inp

000657573.b3lyp_6-31g(d).qchem.inp (generated)

000657573.b3lyp_6-31g(d).gjf (generated)

000657573.b3lyp_6-31g(d).firefly.inp (generated)

000657573.b3lyp_6-31g(d).smash.inp (generated)

000657573.b3lyp_6-31g(d).nwchem.inp (generated) 000657573.b3lyp_6-31g(d).log.xz 000657573.td-b3lyp_6-31g+(d).inp 000657573.td-b3lyp_6-31g+(d).log.xz

000657573.td-b3lyp_6-31+g(d).qchem.inp (generated)

000657573.td-b3lyp_6-31+g(d).gjf (generated)

000657573.td-b3lyp_6-31+g(d).firefly.inp (generated)

000657573.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000657573.mol 000657573.PUBCHEM 000657573.mol (via Jmol)
000657577.b3lyp_6-31g(d).inp

000657577.b3lyp_6-31g(d).qchem.inp (generated)

000657577.b3lyp_6-31g(d).gjf (generated)

000657577.b3lyp_6-31g(d).firefly.inp (generated)

000657577.b3lyp_6-31g(d).smash.inp (generated)

000657577.b3lyp_6-31g(d).nwchem.inp (generated) 000657577.b3lyp_6-31g(d).log.xz 000657577.mol 000657577.PUBCHEM 000657577.mol (via Jmol)
000657582.b3lyp_6-31g(d).inp

000657582.b3lyp_6-31g(d).qchem.inp (generated)

000657582.b3lyp_6-31g(d).gjf (generated)

000657582.b3lyp_6-31g(d).firefly.inp (generated)

000657582.b3lyp_6-31g(d).smash.inp (generated)

000657582.b3lyp_6-31g(d).nwchem.inp (generated) 000657582.b3lyp_6-31g(d).log.xz 000657582.td-b3lyp_6-31g+(d).inp 000657582.td-b3lyp_6-31g+(d).log.xz

000657582.td-b3lyp_6-31+g(d).qchem.inp (generated)

000657582.td-b3lyp_6-31+g(d).gjf (generated)

000657582.td-b3lyp_6-31+g(d).firefly.inp (generated)

000657582.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000657582.mol 000657582.PUBCHEM 000657582.mol (via Jmol)
000657587.b3lyp_6-31g(d).inp

000657587.b3lyp_6-31g(d).qchem.inp (generated)

000657587.b3lyp_6-31g(d).gjf (generated)

000657587.b3lyp_6-31g(d).firefly.inp (generated)

000657587.b3lyp_6-31g(d).smash.inp (generated)

000657587.b3lyp_6-31g(d).nwchem.inp (generated) 000657587.b3lyp_6-31g(d).log.xz 000657587.td-b3lyp_6-31g+(d).inp 000657587.td-b3lyp_6-31g+(d).log.xz

000657587.td-b3lyp_6-31+g(d).qchem.inp (generated)

000657587.td-b3lyp_6-31+g(d).gjf (generated)

000657587.td-b3lyp_6-31+g(d).firefly.inp (generated)

000657587.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000657587.mol 000657587.PUBCHEM 000657587.mol (via Jmol)
000657595.b3lyp_6-31g(d).inp

000657595.b3lyp_6-31g(d).qchem.inp (generated)

000657595.b3lyp_6-31g(d).gjf (generated)

000657595.b3lyp_6-31g(d).firefly.inp (generated)

000657595.b3lyp_6-31g(d).smash.inp (generated)

000657595.b3lyp_6-31g(d).nwchem.inp (generated) 000657595.b3lyp_6-31g(d).log.xz 000657595.td-b3lyp_6-31g+(d).inp 000657595.td-b3lyp_6-31g+(d).log.xz

000657595.td-b3lyp_6-31+g(d).qchem.inp (generated)

000657595.td-b3lyp_6-31+g(d).gjf (generated)

000657595.td-b3lyp_6-31+g(d).firefly.inp (generated)

000657595.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000657595.mol 000657595.PUBCHEM 000657595.mol (via Jmol)
000657599.b3lyp_6-31g(d).inp

000657599.b3lyp_6-31g(d).qchem.inp (generated)

000657599.b3lyp_6-31g(d).gjf (generated)

000657599.b3lyp_6-31g(d).firefly.inp (generated)

000657599.b3lyp_6-31g(d).smash.inp (generated)

000657599.b3lyp_6-31g(d).nwchem.inp (generated) 000657599.b3lyp_6-31g(d).log.xz 000657599.td-b3lyp_6-31g+(d).inp 000657599.td-b3lyp_6-31g+(d).log.xz

000657599.td-b3lyp_6-31+g(d).qchem.inp (generated)

000657599.td-b3lyp_6-31+g(d).gjf (generated)

000657599.td-b3lyp_6-31+g(d).firefly.inp (generated)

000657599.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000657599.mol 000657599.PUBCHEM 000657599.mol (via Jmol)
000657601.b3lyp_6-31g(d).inp

000657601.b3lyp_6-31g(d).qchem.inp (generated)

000657601.b3lyp_6-31g(d).gjf (generated)

000657601.b3lyp_6-31g(d).firefly.inp (generated)

000657601.b3lyp_6-31g(d).smash.inp (generated)

000657601.b3lyp_6-31g(d).nwchem.inp (generated) 000657601.b3lyp_6-31g(d).log.xz 000657601.td-b3lyp_6-31g+(d).inp 000657601.td-b3lyp_6-31g+(d).log.xz

000657601.td-b3lyp_6-31+g(d).qchem.inp (generated)

000657601.td-b3lyp_6-31+g(d).gjf (generated)

000657601.td-b3lyp_6-31+g(d).firefly.inp (generated)

000657601.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000657601.mol 000657601.PUBCHEM 000657601.mol (via Jmol)
000657609.b3lyp_6-31g(d).inp

000657609.b3lyp_6-31g(d).qchem.inp (generated)

000657609.b3lyp_6-31g(d).gjf (generated)

000657609.b3lyp_6-31g(d).firefly.inp (generated)

000657609.b3lyp_6-31g(d).smash.inp (generated)

000657609.b3lyp_6-31g(d).nwchem.inp (generated) 000657609.b3lyp_6-31g(d).log.xz 000657609.mol 000657609.PUBCHEM 000657609.mol (via Jmol)
000657627.b3lyp_6-31g(d).inp

000657627.b3lyp_6-31g(d).qchem.inp (generated)

000657627.b3lyp_6-31g(d).gjf (generated)

000657627.b3lyp_6-31g(d).firefly.inp (generated)

000657627.b3lyp_6-31g(d).smash.inp (generated)

000657627.b3lyp_6-31g(d).nwchem.inp (generated) 000657627.b3lyp_6-31g(d).log.xz 000657627.td-b3lyp_6-31g+(d).inp 000657627.td-b3lyp_6-31g+(d).log.xz

000657627.td-b3lyp_6-31+g(d).qchem.inp (generated)

000657627.td-b3lyp_6-31+g(d).gjf (generated)

000657627.td-b3lyp_6-31+g(d).firefly.inp (generated)

000657627.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000657627.mol 000657627.PUBCHEM 000657627.mol (via Jmol)
000657640.b3lyp_6-31g(d).inp

000657640.b3lyp_6-31g(d).qchem.inp (generated)

000657640.b3lyp_6-31g(d).gjf (generated)

000657640.b3lyp_6-31g(d).firefly.inp (generated)

000657640.b3lyp_6-31g(d).smash.inp (generated)

000657640.b3lyp_6-31g(d).nwchem.inp (generated) 000657640.b3lyp_6-31g(d).log.xz 000657640.td-b3lyp_6-31g+(d).inp 000657640.td-b3lyp_6-31g+(d).log.xz

000657640.td-b3lyp_6-31+g(d).qchem.inp (generated)

000657640.td-b3lyp_6-31+g(d).gjf (generated)

000657640.td-b3lyp_6-31+g(d).firefly.inp (generated)

000657640.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000657640.mol 000657640.PUBCHEM 000657640.mol (via Jmol)
000657642.b3lyp_6-31g(d).inp

000657642.b3lyp_6-31g(d).qchem.inp (generated)

000657642.b3lyp_6-31g(d).gjf (generated)

000657642.b3lyp_6-31g(d).firefly.inp (generated)

000657642.b3lyp_6-31g(d).smash.inp (generated)

000657642.b3lyp_6-31g(d).nwchem.inp (generated) 000657642.b3lyp_6-31g(d).log.xz 000657642.td-b3lyp_6-31g+(d).inp 000657642.td-b3lyp_6-31g+(d).log.xz

000657642.td-b3lyp_6-31+g(d).qchem.inp (generated)

000657642.td-b3lyp_6-31+g(d).gjf (generated)

000657642.td-b3lyp_6-31+g(d).firefly.inp (generated)

000657642.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000657642.mol 000657642.PUBCHEM 000657642.mol (via Jmol)
000657645.b3lyp_6-31g(d).inp

000657645.b3lyp_6-31g(d).qchem.inp (generated)

000657645.b3lyp_6-31g(d).gjf (generated)

000657645.b3lyp_6-31g(d).firefly.inp (generated)

000657645.b3lyp_6-31g(d).smash.inp (generated)

000657645.b3lyp_6-31g(d).nwchem.inp (generated) 000657645.b3lyp_6-31g(d).log.xz 000657645.td-b3lyp_6-31g+(d).inp 000657645.td-b3lyp_6-31g+(d).log.xz

000657645.td-b3lyp_6-31+g(d).qchem.inp (generated)

000657645.td-b3lyp_6-31+g(d).gjf (generated)

000657645.td-b3lyp_6-31+g(d).firefly.inp (generated)

000657645.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000657645.mol 000657645.PUBCHEM 000657645.mol (via Jmol)
000657649.b3lyp_6-31g(d).inp

000657649.b3lyp_6-31g(d).qchem.inp (generated)

000657649.b3lyp_6-31g(d).gjf (generated)

000657649.b3lyp_6-31g(d).firefly.inp (generated)

000657649.b3lyp_6-31g(d).smash.inp (generated)

000657649.b3lyp_6-31g(d).nwchem.inp (generated) 000657649.b3lyp_6-31g(d).log.xz 000657649.td-b3lyp_6-31g+(d).inp 000657649.td-b3lyp_6-31g+(d).log.xz

000657649.td-b3lyp_6-31+g(d).qchem.inp (generated)

000657649.td-b3lyp_6-31+g(d).gjf (generated)

000657649.td-b3lyp_6-31+g(d).firefly.inp (generated)

000657649.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000657649.mol 000657649.PUBCHEM 000657649.mol (via Jmol)
000657651.b3lyp_6-31g(d).inp

000657651.b3lyp_6-31g(d).qchem.inp (generated)

000657651.b3lyp_6-31g(d).gjf (generated)

000657651.b3lyp_6-31g(d).firefly.inp (generated)

000657651.b3lyp_6-31g(d).smash.inp (generated)

000657651.b3lyp_6-31g(d).nwchem.inp (generated) 000657651.b3lyp_6-31g(d).log.xz 000657651.td-b3lyp_6-31g+(d).inp 000657651.td-b3lyp_6-31g+(d).log.xz

000657651.td-b3lyp_6-31+g(d).qchem.inp (generated)

000657651.td-b3lyp_6-31+g(d).gjf (generated)

000657651.td-b3lyp_6-31+g(d).firefly.inp (generated)

000657651.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000657651.mol 000657651.PUBCHEM 000657651.mol (via Jmol)
000657675.b3lyp_6-31g(d).inp

000657675.b3lyp_6-31g(d).qchem.inp (generated)

000657675.b3lyp_6-31g(d).gjf (generated)

000657675.b3lyp_6-31g(d).firefly.inp (generated)

000657675.b3lyp_6-31g(d).smash.inp (generated)

000657675.b3lyp_6-31g(d).nwchem.inp (generated) 000657675.b3lyp_6-31g(d).log.xz 000657675.td-b3lyp_6-31g+(d).inp 000657675.td-b3lyp_6-31g+(d).log.xz

000657675.td-b3lyp_6-31+g(d).qchem.inp (generated)

000657675.td-b3lyp_6-31+g(d).gjf (generated)

000657675.td-b3lyp_6-31+g(d).firefly.inp (generated)

000657675.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000657675.mol 000657675.PUBCHEM 000657675.mol (via Jmol)
000657678.b3lyp_6-31g(d).inp

000657678.b3lyp_6-31g(d).qchem.inp (generated)

000657678.b3lyp_6-31g(d).gjf (generated)

000657678.b3lyp_6-31g(d).firefly.inp (generated)

000657678.b3lyp_6-31g(d).smash.inp (generated)

000657678.b3lyp_6-31g(d).nwchem.inp (generated) 000657678.b3lyp_6-31g(d).log.xz 000657678.td-b3lyp_6-31g+(d).inp 000657678.td-b3lyp_6-31g+(d).log.xz

000657678.td-b3lyp_6-31+g(d).qchem.inp (generated)

000657678.td-b3lyp_6-31+g(d).gjf (generated)

000657678.td-b3lyp_6-31+g(d).firefly.inp (generated)

000657678.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000657678.mol 000657678.PUBCHEM 000657678.mol (via Jmol)
000657681.b3lyp_6-31g(d).inp

000657681.b3lyp_6-31g(d).qchem.inp (generated)

000657681.b3lyp_6-31g(d).gjf (generated)

000657681.b3lyp_6-31g(d).firefly.inp (generated)

000657681.b3lyp_6-31g(d).smash.inp (generated)

000657681.b3lyp_6-31g(d).nwchem.inp (generated) 000657681.b3lyp_6-31g(d).log.xz 000657681.mol 000657681.PUBCHEM 000657681.mol (via Jmol)
000657685.b3lyp_6-31g(d).inp

000657685.b3lyp_6-31g(d).qchem.inp (generated)

000657685.b3lyp_6-31g(d).gjf (generated)

000657685.b3lyp_6-31g(d).firefly.inp (generated)

000657685.b3lyp_6-31g(d).smash.inp (generated)

000657685.b3lyp_6-31g(d).nwchem.inp (generated) 000657685.b3lyp_6-31g(d).log.xz 000657685.td-b3lyp_6-31g+(d).inp 000657685.td-b3lyp_6-31g+(d).log.xz

000657685.td-b3lyp_6-31+g(d).qchem.inp (generated)

000657685.td-b3lyp_6-31+g(d).gjf (generated)

000657685.td-b3lyp_6-31+g(d).firefly.inp (generated)

000657685.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000657685.mol 000657685.PUBCHEM 000657685.mol (via Jmol)
000657688.b3lyp_6-31g(d).inp

000657688.b3lyp_6-31g(d).qchem.inp (generated)

000657688.b3lyp_6-31g(d).gjf (generated)

000657688.b3lyp_6-31g(d).firefly.inp (generated)

000657688.b3lyp_6-31g(d).smash.inp (generated)

000657688.b3lyp_6-31g(d).nwchem.inp (generated) 000657688.b3lyp_6-31g(d).log.xz 000657688.td-b3lyp_6-31g+(d).inp 000657688.td-b3lyp_6-31g+(d).log.xz

000657688.td-b3lyp_6-31+g(d).qchem.inp (generated)

000657688.td-b3lyp_6-31+g(d).gjf (generated)

000657688.td-b3lyp_6-31+g(d).firefly.inp (generated)

000657688.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000657688.mol 000657688.PUBCHEM 000657688.mol (via Jmol)
000657690.b3lyp_6-31g(d).inp

000657690.b3lyp_6-31g(d).qchem.inp (generated)

000657690.b3lyp_6-31g(d).gjf (generated)

000657690.b3lyp_6-31g(d).firefly.inp (generated)

000657690.b3lyp_6-31g(d).smash.inp (generated)

000657690.b3lyp_6-31g(d).nwchem.inp (generated) 000657690.b3lyp_6-31g(d).log.xz 000657690.td-b3lyp_6-31g+(d).inp 000657690.td-b3lyp_6-31g+(d).log.xz

000657690.td-b3lyp_6-31+g(d).qchem.inp (generated)

000657690.td-b3lyp_6-31+g(d).gjf (generated)

000657690.td-b3lyp_6-31+g(d).firefly.inp (generated)

000657690.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000657690.mol 000657690.PUBCHEM 000657690.mol (via Jmol)
000657694.b3lyp_6-31g(d).inp

000657694.b3lyp_6-31g(d).qchem.inp (generated)

000657694.b3lyp_6-31g(d).gjf (generated)

000657694.b3lyp_6-31g(d).firefly.inp (generated)

000657694.b3lyp_6-31g(d).smash.inp (generated)

000657694.b3lyp_6-31g(d).nwchem.inp (generated) 000657694.b3lyp_6-31g(d).log.xz 000657694.td-b3lyp_6-31g+(d).inp 000657694.td-b3lyp_6-31g+(d).log.xz

000657694.td-b3lyp_6-31+g(d).qchem.inp (generated)

000657694.td-b3lyp_6-31+g(d).gjf (generated)

000657694.td-b3lyp_6-31+g(d).firefly.inp (generated)

000657694.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000657694.mol 000657694.PUBCHEM 000657694.mol (via Jmol)
000657705.b3lyp_6-31g(d).inp

000657705.b3lyp_6-31g(d).qchem.inp (generated)

000657705.b3lyp_6-31g(d).gjf (generated)

000657705.b3lyp_6-31g(d).firefly.inp (generated)

000657705.b3lyp_6-31g(d).smash.inp (generated)

000657705.b3lyp_6-31g(d).nwchem.inp (generated) 000657705.b3lyp_6-31g(d).log.xz 000657705.td-b3lyp_6-31g+(d).inp 000657705.td-b3lyp_6-31g+(d).log.xz

000657705.td-b3lyp_6-31+g(d).qchem.inp (generated)

000657705.td-b3lyp_6-31+g(d).gjf (generated)

000657705.td-b3lyp_6-31+g(d).firefly.inp (generated)

000657705.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000657705.mol 000657705.PUBCHEM 000657705.mol (via Jmol)
000657706.b3lyp_6-31g(d).inp

000657706.b3lyp_6-31g(d).qchem.inp (generated)

000657706.b3lyp_6-31g(d).gjf (generated)

000657706.b3lyp_6-31g(d).firefly.inp (generated)

000657706.b3lyp_6-31g(d).smash.inp (generated)

000657706.b3lyp_6-31g(d).nwchem.inp (generated) 000657706.b3lyp_6-31g(d).log.xz 000657706.td-b3lyp_6-31g+(d).inp 000657706.td-b3lyp_6-31g+(d).log.xz

000657706.td-b3lyp_6-31+g(d).qchem.inp (generated)

000657706.td-b3lyp_6-31+g(d).gjf (generated)

000657706.td-b3lyp_6-31+g(d).firefly.inp (generated)

000657706.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000657706.mol 000657706.PUBCHEM 000657706.mol (via Jmol)
000657714.b3lyp_6-31g(d).inp

000657714.b3lyp_6-31g(d).qchem.inp (generated)

000657714.b3lyp_6-31g(d).gjf (generated)

000657714.b3lyp_6-31g(d).firefly.inp (generated)

000657714.b3lyp_6-31g(d).smash.inp (generated)

000657714.b3lyp_6-31g(d).nwchem.inp (generated) 000657714.b3lyp_6-31g(d).log.xz 000657714.td-b3lyp_6-31g+(d).inp 000657714.td-b3lyp_6-31g+(d).log.xz

000657714.td-b3lyp_6-31+g(d).qchem.inp (generated)

000657714.td-b3lyp_6-31+g(d).gjf (generated)

000657714.td-b3lyp_6-31+g(d).firefly.inp (generated)

000657714.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000657714.mol 000657714.PUBCHEM 000657714.mol (via Jmol)
000657716.b3lyp_6-31g(d).inp

000657716.b3lyp_6-31g(d).qchem.inp (generated)

000657716.b3lyp_6-31g(d).gjf (generated)

000657716.b3lyp_6-31g(d).firefly.inp (generated)

000657716.b3lyp_6-31g(d).smash.inp (generated)

000657716.b3lyp_6-31g(d).nwchem.inp (generated) 000657716.b3lyp_6-31g(d).log.xz 000657716.td-b3lyp_6-31g+(d).inp 000657716.td-b3lyp_6-31g+(d).log.xz

000657716.td-b3lyp_6-31+g(d).qchem.inp (generated)

000657716.td-b3lyp_6-31+g(d).gjf (generated)

000657716.td-b3lyp_6-31+g(d).firefly.inp (generated)

000657716.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000657716.mol 000657716.PUBCHEM 000657716.mol (via Jmol)
000657718.b3lyp_6-31g(d).inp

000657718.b3lyp_6-31g(d).qchem.inp (generated)

000657718.b3lyp_6-31g(d).gjf (generated)

000657718.b3lyp_6-31g(d).firefly.inp (generated)

000657718.b3lyp_6-31g(d).smash.inp (generated)

000657718.b3lyp_6-31g(d).nwchem.inp (generated) 000657718.b3lyp_6-31g(d).log.xz 000657718.td-b3lyp_6-31g+(d).inp 000657718.td-b3lyp_6-31g+(d).log.xz

000657718.td-b3lyp_6-31+g(d).qchem.inp (generated)

000657718.td-b3lyp_6-31+g(d).gjf (generated)

000657718.td-b3lyp_6-31+g(d).firefly.inp (generated)

000657718.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000657718.mol 000657718.PUBCHEM 000657718.mol (via Jmol)
000657721.b3lyp_6-31g(d).inp

000657721.b3lyp_6-31g(d).qchem.inp (generated)

000657721.b3lyp_6-31g(d).gjf (generated)

000657721.b3lyp_6-31g(d).firefly.inp (generated)

000657721.b3lyp_6-31g(d).smash.inp (generated)

000657721.b3lyp_6-31g(d).nwchem.inp (generated) 000657721.b3lyp_6-31g(d).log.xz 000657721.td-b3lyp_6-31g+(d).inp 000657721.td-b3lyp_6-31g+(d).log.xz

000657721.td-b3lyp_6-31+g(d).qchem.inp (generated)

000657721.td-b3lyp_6-31+g(d).gjf (generated)

000657721.td-b3lyp_6-31+g(d).firefly.inp (generated)

000657721.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000657721.mol 000657721.PUBCHEM 000657721.mol (via Jmol)
000657724.b3lyp_6-31g(d).inp

000657724.b3lyp_6-31g(d).qchem.inp (generated)

000657724.b3lyp_6-31g(d).gjf (generated)

000657724.b3lyp_6-31g(d).firefly.inp (generated)

000657724.b3lyp_6-31g(d).smash.inp (generated)

000657724.b3lyp_6-31g(d).nwchem.inp (generated) 000657724.b3lyp_6-31g(d).log.xz 000657724.td-b3lyp_6-31g+(d).inp 000657724.td-b3lyp_6-31g+(d).log.xz

000657724.td-b3lyp_6-31+g(d).qchem.inp (generated)

000657724.td-b3lyp_6-31+g(d).gjf (generated)

000657724.td-b3lyp_6-31+g(d).firefly.inp (generated)

000657724.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000657724.mol 000657724.PUBCHEM 000657724.mol (via Jmol)
000657726.b3lyp_6-31g(d).inp

000657726.b3lyp_6-31g(d).qchem.inp (generated)

000657726.b3lyp_6-31g(d).gjf (generated)

000657726.b3lyp_6-31g(d).firefly.inp (generated)

000657726.b3lyp_6-31g(d).smash.inp (generated)

000657726.b3lyp_6-31g(d).nwchem.inp (generated) 000657726.b3lyp_6-31g(d).log.xz 000657726.td-b3lyp_6-31g+(d).inp 000657726.td-b3lyp_6-31g+(d).log.xz

000657726.td-b3lyp_6-31+g(d).qchem.inp (generated)

000657726.td-b3lyp_6-31+g(d).gjf (generated)

000657726.td-b3lyp_6-31+g(d).firefly.inp (generated)

000657726.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000657726.mol 000657726.PUBCHEM 000657726.mol (via Jmol)
000657734.b3lyp_6-31g(d).inp

000657734.b3lyp_6-31g(d).qchem.inp (generated)

000657734.b3lyp_6-31g(d).gjf (generated)

000657734.b3lyp_6-31g(d).firefly.inp (generated)

000657734.b3lyp_6-31g(d).smash.inp (generated)

000657734.b3lyp_6-31g(d).nwchem.inp (generated) 000657734.b3lyp_6-31g(d).log.xz 000657734.td-b3lyp_6-31g+(d).inp 000657734.td-b3lyp_6-31g+(d).log.xz

000657734.td-b3lyp_6-31+g(d).qchem.inp (generated)

000657734.td-b3lyp_6-31+g(d).gjf (generated)

000657734.td-b3lyp_6-31+g(d).firefly.inp (generated)

000657734.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000657734.mol 000657734.PUBCHEM 000657734.mol (via Jmol)
000657740.b3lyp_6-31g(d).inp

000657740.b3lyp_6-31g(d).qchem.inp (generated)

000657740.b3lyp_6-31g(d).gjf (generated)

000657740.b3lyp_6-31g(d).firefly.inp (generated)

000657740.b3lyp_6-31g(d).smash.inp (generated)

000657740.b3lyp_6-31g(d).nwchem.inp (generated) 000657740.b3lyp_6-31g(d).log.xz 000657740.td-b3lyp_6-31g+(d).inp 000657740.td-b3lyp_6-31g+(d).log.xz

000657740.td-b3lyp_6-31+g(d).qchem.inp (generated)

000657740.td-b3lyp_6-31+g(d).gjf (generated)

000657740.td-b3lyp_6-31+g(d).firefly.inp (generated)

000657740.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000657740.mol 000657740.PUBCHEM 000657740.mol (via Jmol)
000657742.b3lyp_6-31g(d).inp

000657742.b3lyp_6-31g(d).qchem.inp (generated)

000657742.b3lyp_6-31g(d).gjf (generated)

000657742.b3lyp_6-31g(d).firefly.inp (generated)

000657742.b3lyp_6-31g(d).smash.inp (generated)

000657742.b3lyp_6-31g(d).nwchem.inp (generated) 000657742.b3lyp_6-31g(d).log.xz 000657742.td-b3lyp_6-31g+(d).inp 000657742.td-b3lyp_6-31g+(d).log.xz

000657742.td-b3lyp_6-31+g(d).qchem.inp (generated)

000657742.td-b3lyp_6-31+g(d).gjf (generated)

000657742.td-b3lyp_6-31+g(d).firefly.inp (generated)

000657742.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000657742.mol 000657742.PUBCHEM 000657742.mol (via Jmol)
000657748.b3lyp_6-31g(d).inp

000657748.b3lyp_6-31g(d).qchem.inp (generated)

000657748.b3lyp_6-31g(d).gjf (generated)

000657748.b3lyp_6-31g(d).firefly.inp (generated)

000657748.b3lyp_6-31g(d).smash.inp (generated)

000657748.b3lyp_6-31g(d).nwchem.inp (generated) 000657748.b3lyp_6-31g(d).log.xz 000657748.td-b3lyp_6-31g+(d).inp 000657748.td-b3lyp_6-31g+(d).log.xz

000657748.td-b3lyp_6-31+g(d).qchem.inp (generated)

000657748.td-b3lyp_6-31+g(d).gjf (generated)

000657748.td-b3lyp_6-31+g(d).firefly.inp (generated)

000657748.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000657748.mol 000657748.PUBCHEM 000657748.mol (via Jmol)
000657751.b3lyp_6-31g(d).inp

000657751.b3lyp_6-31g(d).qchem.inp (generated)

000657751.b3lyp_6-31g(d).gjf (generated)

000657751.b3lyp_6-31g(d).firefly.inp (generated)

000657751.b3lyp_6-31g(d).smash.inp (generated)

000657751.b3lyp_6-31g(d).nwchem.inp (generated) 000657751.b3lyp_6-31g(d).log.xz 000657751.td-b3lyp_6-31g+(d).inp 000657751.td-b3lyp_6-31g+(d).log.xz

000657751.td-b3lyp_6-31+g(d).qchem.inp (generated)

000657751.td-b3lyp_6-31+g(d).gjf (generated)

000657751.td-b3lyp_6-31+g(d).firefly.inp (generated)

000657751.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000657751.mol 000657751.PUBCHEM 000657751.mol (via Jmol)
000657763.b3lyp_6-31g(d).inp

000657763.b3lyp_6-31g(d).qchem.inp (generated)

000657763.b3lyp_6-31g(d).gjf (generated)

000657763.b3lyp_6-31g(d).firefly.inp (generated)

000657763.b3lyp_6-31g(d).smash.inp (generated)

000657763.b3lyp_6-31g(d).nwchem.inp (generated) 000657763.b3lyp_6-31g(d).log.xz 000657763.mol 000657763.PUBCHEM 000657763.mol (via Jmol)
000657774.b3lyp_6-31g(d).inp

000657774.b3lyp_6-31g(d).qchem.inp (generated)

000657774.b3lyp_6-31g(d).gjf (generated)

000657774.b3lyp_6-31g(d).firefly.inp (generated)

000657774.b3lyp_6-31g(d).smash.inp (generated)

000657774.b3lyp_6-31g(d).nwchem.inp (generated) 000657774.b3lyp_6-31g(d).log.xz 000657774.td-b3lyp_6-31g+(d).inp 000657774.td-b3lyp_6-31g+(d).log.xz

000657774.td-b3lyp_6-31+g(d).qchem.inp (generated)

000657774.td-b3lyp_6-31+g(d).gjf (generated)

000657774.td-b3lyp_6-31+g(d).firefly.inp (generated)

000657774.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000657774.mol 000657774.PUBCHEM 000657774.mol (via Jmol)
000657778.b3lyp_6-31g(d).inp

000657778.b3lyp_6-31g(d).qchem.inp (generated)

000657778.b3lyp_6-31g(d).gjf (generated)

000657778.b3lyp_6-31g(d).firefly.inp (generated)

000657778.b3lyp_6-31g(d).smash.inp (generated)

000657778.b3lyp_6-31g(d).nwchem.inp (generated) 000657778.b3lyp_6-31g(d).log.xz 000657778.td-b3lyp_6-31g+(d).inp 000657778.td-b3lyp_6-31g+(d).log.xz

000657778.td-b3lyp_6-31+g(d).qchem.inp (generated)

000657778.td-b3lyp_6-31+g(d).gjf (generated)

000657778.td-b3lyp_6-31+g(d).firefly.inp (generated)

000657778.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000657778.mol 000657778.PUBCHEM 000657778.mol (via Jmol)
000657779.b3lyp_6-31g(d).inp

000657779.b3lyp_6-31g(d).qchem.inp (generated)

000657779.b3lyp_6-31g(d).gjf (generated)

000657779.b3lyp_6-31g(d).firefly.inp (generated)

000657779.b3lyp_6-31g(d).smash.inp (generated)

000657779.b3lyp_6-31g(d).nwchem.inp (generated) 000657779.b3lyp_6-31g(d).log.xz 000657779.td-b3lyp_6-31g+(d).inp 000657779.td-b3lyp_6-31g+(d).log.xz

000657779.td-b3lyp_6-31+g(d).qchem.inp (generated)

000657779.td-b3lyp_6-31+g(d).gjf (generated)

000657779.td-b3lyp_6-31+g(d).firefly.inp (generated)

000657779.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000657779.mol 000657779.PUBCHEM 000657779.mol (via Jmol)
000657794.b3lyp_6-31g(d).inp

000657794.b3lyp_6-31g(d).qchem.inp (generated)

000657794.b3lyp_6-31g(d).gjf (generated)

000657794.b3lyp_6-31g(d).firefly.inp (generated)

000657794.b3lyp_6-31g(d).smash.inp (generated)

000657794.b3lyp_6-31g(d).nwchem.inp (generated) 000657794.b3lyp_6-31g(d).log.xz 000657794.mol 000657794.PUBCHEM 000657794.mol (via Jmol)
000657801.b3lyp_6-31g(d).inp

000657801.b3lyp_6-31g(d).qchem.inp (generated)

000657801.b3lyp_6-31g(d).gjf (generated)

000657801.b3lyp_6-31g(d).firefly.inp (generated)

000657801.b3lyp_6-31g(d).smash.inp (generated)

000657801.b3lyp_6-31g(d).nwchem.inp (generated) 000657801.b3lyp_6-31g(d).log.xz 000657801.td-b3lyp_6-31g+(d).inp 000657801.td-b3lyp_6-31g+(d).log.xz

000657801.td-b3lyp_6-31+g(d).qchem.inp (generated)

000657801.td-b3lyp_6-31+g(d).gjf (generated)

000657801.td-b3lyp_6-31+g(d).firefly.inp (generated)

000657801.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000657801.mol 000657801.PUBCHEM 000657801.mol (via Jmol)
000657805.b3lyp_6-31g(d).inp

000657805.b3lyp_6-31g(d).qchem.inp (generated)

000657805.b3lyp_6-31g(d).gjf (generated)

000657805.b3lyp_6-31g(d).firefly.inp (generated)

000657805.b3lyp_6-31g(d).smash.inp (generated)

000657805.b3lyp_6-31g(d).nwchem.inp (generated) 000657805.b3lyp_6-31g(d).log.xz 000657805.td-b3lyp_6-31g+(d).inp 000657805.td-b3lyp_6-31g+(d).log.xz

000657805.td-b3lyp_6-31+g(d).qchem.inp (generated)

000657805.td-b3lyp_6-31+g(d).gjf (generated)

000657805.td-b3lyp_6-31+g(d).firefly.inp (generated)

000657805.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000657805.mol 000657805.PUBCHEM 000657805.mol (via Jmol)
000657808.b3lyp_6-31g(d).inp

000657808.b3lyp_6-31g(d).qchem.inp (generated)

000657808.b3lyp_6-31g(d).gjf (generated)

000657808.b3lyp_6-31g(d).firefly.inp (generated)

000657808.b3lyp_6-31g(d).smash.inp (generated)

000657808.b3lyp_6-31g(d).nwchem.inp (generated) 000657808.b3lyp_6-31g(d).log.xz 000657808.td-b3lyp_6-31g+(d).inp 000657808.td-b3lyp_6-31g+(d).log.xz

000657808.td-b3lyp_6-31+g(d).qchem.inp (generated)

000657808.td-b3lyp_6-31+g(d).gjf (generated)

000657808.td-b3lyp_6-31+g(d).firefly.inp (generated)

000657808.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000657808.mol 000657808.PUBCHEM 000657808.mol (via Jmol)
000657816.b3lyp_6-31g(d).inp

000657816.b3lyp_6-31g(d).qchem.inp (generated)

000657816.b3lyp_6-31g(d).gjf (generated)

000657816.b3lyp_6-31g(d).firefly.inp (generated)

000657816.b3lyp_6-31g(d).smash.inp (generated)

000657816.b3lyp_6-31g(d).nwchem.inp (generated) 000657816.b3lyp_6-31g(d).log.xz 000657816.td-b3lyp_6-31g+(d).inp 000657816.td-b3lyp_6-31g+(d).log.xz

000657816.td-b3lyp_6-31+g(d).qchem.inp (generated)

000657816.td-b3lyp_6-31+g(d).gjf (generated)

000657816.td-b3lyp_6-31+g(d).firefly.inp (generated)

000657816.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000657816.mol 000657816.PUBCHEM 000657816.mol (via Jmol)
000657823.b3lyp_6-31g(d).inp

000657823.b3lyp_6-31g(d).qchem.inp (generated)

000657823.b3lyp_6-31g(d).gjf (generated)

000657823.b3lyp_6-31g(d).firefly.inp (generated)

000657823.b3lyp_6-31g(d).smash.inp (generated)

000657823.b3lyp_6-31g(d).nwchem.inp (generated) 000657823.b3lyp_6-31g(d).log.xz 000657823.td-b3lyp_6-31g+(d).inp 000657823.td-b3lyp_6-31g+(d).log.xz

000657823.td-b3lyp_6-31+g(d).qchem.inp (generated)

000657823.td-b3lyp_6-31+g(d).gjf (generated)

000657823.td-b3lyp_6-31+g(d).firefly.inp (generated)

000657823.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000657823.mol 000657823.PUBCHEM 000657823.mol (via Jmol)
000657829.b3lyp_6-31g(d).inp

000657829.b3lyp_6-31g(d).qchem.inp (generated)

000657829.b3lyp_6-31g(d).gjf (generated)

000657829.b3lyp_6-31g(d).firefly.inp (generated)

000657829.b3lyp_6-31g(d).smash.inp (generated)

000657829.b3lyp_6-31g(d).nwchem.inp (generated) 000657829.b3lyp_6-31g(d).log.xz 000657829.td-b3lyp_6-31g+(d).inp 000657829.td-b3lyp_6-31g+(d).log.xz

000657829.td-b3lyp_6-31+g(d).qchem.inp (generated)

000657829.td-b3lyp_6-31+g(d).gjf (generated)

000657829.td-b3lyp_6-31+g(d).firefly.inp (generated)

000657829.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000657829.mol 000657829.PUBCHEM 000657829.mol (via Jmol)
000657834.b3lyp_6-31g(d).inp

000657834.b3lyp_6-31g(d).qchem.inp (generated)

000657834.b3lyp_6-31g(d).gjf (generated)

000657834.b3lyp_6-31g(d).firefly.inp (generated)

000657834.b3lyp_6-31g(d).smash.inp (generated)

000657834.b3lyp_6-31g(d).nwchem.inp (generated) 000657834.b3lyp_6-31g(d).log.xz 000657834.mol 000657834.PUBCHEM 000657834.mol (via Jmol)
000657838.b3lyp_6-31g(d).inp

000657838.b3lyp_6-31g(d).qchem.inp (generated)

000657838.b3lyp_6-31g(d).gjf (generated)

000657838.b3lyp_6-31g(d).firefly.inp (generated)

000657838.b3lyp_6-31g(d).smash.inp (generated)

000657838.b3lyp_6-31g(d).nwchem.inp (generated) 000657838.b3lyp_6-31g(d).log.xz 000657838.mol 000657838.PUBCHEM 000657838.mol (via Jmol)
000657849.b3lyp_6-31g(d).inp

000657849.b3lyp_6-31g(d).qchem.inp (generated)

000657849.b3lyp_6-31g(d).gjf (generated)

000657849.b3lyp_6-31g(d).firefly.inp (generated)

000657849.b3lyp_6-31g(d).smash.inp (generated)

000657849.b3lyp_6-31g(d).nwchem.inp (generated) 000657849.b3lyp_6-31g(d).log.xz 000657849.td-b3lyp_6-31g+(d).inp 000657849.td-b3lyp_6-31g+(d).log.xz

000657849.td-b3lyp_6-31+g(d).qchem.inp (generated)

000657849.td-b3lyp_6-31+g(d).gjf (generated)

000657849.td-b3lyp_6-31+g(d).firefly.inp (generated)

000657849.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000657849.mol 000657849.PUBCHEM 000657849.mol (via Jmol)
000657859.b3lyp_6-31g(d).inp

000657859.b3lyp_6-31g(d).qchem.inp (generated)

000657859.b3lyp_6-31g(d).gjf (generated)

000657859.b3lyp_6-31g(d).firefly.inp (generated)

000657859.b3lyp_6-31g(d).smash.inp (generated)

000657859.b3lyp_6-31g(d).nwchem.inp (generated) 000657859.b3lyp_6-31g(d).log.xz 000657859.td-b3lyp_6-31g+(d).inp 000657859.td-b3lyp_6-31g+(d).log.xz

000657859.td-b3lyp_6-31+g(d).qchem.inp (generated)

000657859.td-b3lyp_6-31+g(d).gjf (generated)

000657859.td-b3lyp_6-31+g(d).firefly.inp (generated)

000657859.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000657859.mol 000657859.PUBCHEM 000657859.mol (via Jmol)
000657876.b3lyp_6-31g(d).inp

000657876.b3lyp_6-31g(d).qchem.inp (generated)

000657876.b3lyp_6-31g(d).gjf (generated)

000657876.b3lyp_6-31g(d).firefly.inp (generated)

000657876.b3lyp_6-31g(d).smash.inp (generated)

000657876.b3lyp_6-31g(d).nwchem.inp (generated) 000657876.b3lyp_6-31g(d).log.xz 000657876.td-b3lyp_6-31g+(d).inp 000657876.td-b3lyp_6-31g+(d).log.xz

000657876.td-b3lyp_6-31+g(d).qchem.inp (generated)

000657876.td-b3lyp_6-31+g(d).gjf (generated)

000657876.td-b3lyp_6-31+g(d).firefly.inp (generated)

000657876.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000657876.mol 000657876.PUBCHEM 000657876.mol (via Jmol)
000657881.b3lyp_6-31g(d).inp

000657881.b3lyp_6-31g(d).qchem.inp (generated)

000657881.b3lyp_6-31g(d).gjf (generated)

000657881.b3lyp_6-31g(d).firefly.inp (generated)

000657881.b3lyp_6-31g(d).smash.inp (generated)

000657881.b3lyp_6-31g(d).nwchem.inp (generated) 000657881.b3lyp_6-31g(d).log.xz 000657881.td-b3lyp_6-31g+(d).inp 000657881.td-b3lyp_6-31g+(d).log.xz

000657881.td-b3lyp_6-31+g(d).qchem.inp (generated)

000657881.td-b3lyp_6-31+g(d).gjf (generated)

000657881.td-b3lyp_6-31+g(d).firefly.inp (generated)

000657881.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000657881.mol 000657881.PUBCHEM 000657881.mol (via Jmol)
000657899.b3lyp_6-31g(d).inp

000657899.b3lyp_6-31g(d).qchem.inp (generated)

000657899.b3lyp_6-31g(d).gjf (generated)

000657899.b3lyp_6-31g(d).firefly.inp (generated)

000657899.b3lyp_6-31g(d).smash.inp (generated)

000657899.b3lyp_6-31g(d).nwchem.inp (generated) 000657899.b3lyp_6-31g(d).log.xz 000657899.td-b3lyp_6-31g+(d).inp 000657899.td-b3lyp_6-31g+(d).log.xz

000657899.td-b3lyp_6-31+g(d).qchem.inp (generated)

000657899.td-b3lyp_6-31+g(d).gjf (generated)

000657899.td-b3lyp_6-31+g(d).firefly.inp (generated)

000657899.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000657899.mol 000657899.PUBCHEM 000657899.mol (via Jmol)
000657903.b3lyp_6-31g(d).inp

000657903.b3lyp_6-31g(d).qchem.inp (generated)

000657903.b3lyp_6-31g(d).gjf (generated)

000657903.b3lyp_6-31g(d).firefly.inp (generated)

000657903.b3lyp_6-31g(d).smash.inp (generated)

000657903.b3lyp_6-31g(d).nwchem.inp (generated) 000657903.b3lyp_6-31g(d).log.xz 000657903.td-b3lyp_6-31g+(d).inp 000657903.td-b3lyp_6-31g+(d).log.xz

000657903.td-b3lyp_6-31+g(d).qchem.inp (generated)

000657903.td-b3lyp_6-31+g(d).gjf (generated)

000657903.td-b3lyp_6-31+g(d).firefly.inp (generated)

000657903.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000657903.mol 000657903.PUBCHEM 000657903.mol (via Jmol)
000657923.b3lyp_6-31g(d).inp

000657923.b3lyp_6-31g(d).qchem.inp (generated)

000657923.b3lyp_6-31g(d).gjf (generated)

000657923.b3lyp_6-31g(d).firefly.inp (generated)

000657923.b3lyp_6-31g(d).smash.inp (generated)

000657923.b3lyp_6-31g(d).nwchem.inp (generated) 000657923.b3lyp_6-31g(d).log.xz 000657923.mol 000657923.PUBCHEM 000657923.mol (via Jmol)
000657927.b3lyp_6-31g(d).inp

000657927.b3lyp_6-31g(d).qchem.inp (generated)

000657927.b3lyp_6-31g(d).gjf (generated)

000657927.b3lyp_6-31g(d).firefly.inp (generated)

000657927.b3lyp_6-31g(d).smash.inp (generated)

000657927.b3lyp_6-31g(d).nwchem.inp (generated) 000657927.b3lyp_6-31g(d).log.xz 000657927.td-b3lyp_6-31g+(d).inp 000657927.td-b3lyp_6-31g+(d).log.xz

000657927.td-b3lyp_6-31+g(d).qchem.inp (generated)

000657927.td-b3lyp_6-31+g(d).gjf (generated)

000657927.td-b3lyp_6-31+g(d).firefly.inp (generated)

000657927.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000657927.mol 000657927.PUBCHEM 000657927.mol (via Jmol)
000657931.b3lyp_6-31g(d).inp

000657931.b3lyp_6-31g(d).qchem.inp (generated)

000657931.b3lyp_6-31g(d).gjf (generated)

000657931.b3lyp_6-31g(d).firefly.inp (generated)

000657931.b3lyp_6-31g(d).smash.inp (generated)

000657931.b3lyp_6-31g(d).nwchem.inp (generated) 000657931.b3lyp_6-31g(d).log.xz 000657931.mol 000657931.PUBCHEM 000657931.mol (via Jmol)
000657947.b3lyp_6-31g(d).inp

000657947.b3lyp_6-31g(d).qchem.inp (generated)

000657947.b3lyp_6-31g(d).gjf (generated)

000657947.b3lyp_6-31g(d).firefly.inp (generated)

000657947.b3lyp_6-31g(d).smash.inp (generated)

000657947.b3lyp_6-31g(d).nwchem.inp (generated) 000657947.b3lyp_6-31g(d).log.xz 000657947.td-b3lyp_6-31g+(d).inp 000657947.td-b3lyp_6-31g+(d).log.xz

000657947.td-b3lyp_6-31+g(d).qchem.inp (generated)

000657947.td-b3lyp_6-31+g(d).gjf (generated)

000657947.td-b3lyp_6-31+g(d).firefly.inp (generated)

000657947.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000657947.mol 000657947.PUBCHEM 000657947.mol (via Jmol)
000657967.b3lyp_6-31g(d).inp

000657967.b3lyp_6-31g(d).qchem.inp (generated)

000657967.b3lyp_6-31g(d).gjf (generated)

000657967.b3lyp_6-31g(d).firefly.inp (generated)

000657967.b3lyp_6-31g(d).smash.inp (generated)

000657967.b3lyp_6-31g(d).nwchem.inp (generated) 000657967.b3lyp_6-31g(d).log.xz 000657967.td-b3lyp_6-31g+(d).inp 000657967.td-b3lyp_6-31g+(d).log.xz

000657967.td-b3lyp_6-31+g(d).qchem.inp (generated)

000657967.td-b3lyp_6-31+g(d).gjf (generated)

000657967.td-b3lyp_6-31+g(d).firefly.inp (generated)

000657967.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000657967.mol 000657967.PUBCHEM 000657967.mol (via Jmol)
000657978.b3lyp_6-31g(d).inp

000657978.b3lyp_6-31g(d).qchem.inp (generated)

000657978.b3lyp_6-31g(d).gjf (generated)

000657978.b3lyp_6-31g(d).firefly.inp (generated)

000657978.b3lyp_6-31g(d).smash.inp (generated)

000657978.b3lyp_6-31g(d).nwchem.inp (generated) 000657978.b3lyp_6-31g(d).log.xz 000657978.mol 000657978.PUBCHEM 000657978.mol (via Jmol)
000657989.b3lyp_6-31g(d).inp

000657989.b3lyp_6-31g(d).qchem.inp (generated)

000657989.b3lyp_6-31g(d).gjf (generated)

000657989.b3lyp_6-31g(d).firefly.inp (generated)

000657989.b3lyp_6-31g(d).smash.inp (generated)

000657989.b3lyp_6-31g(d).nwchem.inp (generated) 000657989.b3lyp_6-31g(d).log.xz 000657989.td-b3lyp_6-31g+(d).inp 000657989.td-b3lyp_6-31g+(d).log.xz

000657989.td-b3lyp_6-31+g(d).qchem.inp (generated)

000657989.td-b3lyp_6-31+g(d).gjf (generated)

000657989.td-b3lyp_6-31+g(d).firefly.inp (generated)

000657989.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000657989.mol 000657989.PUBCHEM 000657989.mol (via Jmol)
000657997.b3lyp_6-31g(d).inp

000657997.b3lyp_6-31g(d).qchem.inp (generated)

000657997.b3lyp_6-31g(d).gjf (generated)

000657997.b3lyp_6-31g(d).firefly.inp (generated)

000657997.b3lyp_6-31g(d).smash.inp (generated)

000657997.b3lyp_6-31g(d).nwchem.inp (generated) 000657997.b3lyp_6-31g(d).log.xz 000657997.td-b3lyp_6-31g+(d).inp 000657997.td-b3lyp_6-31g+(d).log.xz

000657997.td-b3lyp_6-31+g(d).qchem.inp (generated)

000657997.td-b3lyp_6-31+g(d).gjf (generated)

000657997.td-b3lyp_6-31+g(d).firefly.inp (generated)

000657997.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000657997.mol 000657997.PUBCHEM 000657997.mol (via Jmol)
000658000.b3lyp_6-31g(d).inp

000658000.b3lyp_6-31g(d).qchem.inp (generated)

000658000.b3lyp_6-31g(d).gjf (generated)

000658000.b3lyp_6-31g(d).firefly.inp (generated)

000658000.b3lyp_6-31g(d).smash.inp (generated)

000658000.b3lyp_6-31g(d).nwchem.inp (generated) 000658000.b3lyp_6-31g(d).log.xz 000658000.td-b3lyp_6-31g+(d).inp 000658000.td-b3lyp_6-31g+(d).log.xz

000658000.td-b3lyp_6-31+g(d).qchem.inp (generated)

000658000.td-b3lyp_6-31+g(d).gjf (generated)

000658000.td-b3lyp_6-31+g(d).firefly.inp (generated)

000658000.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000658000.mol 000658000.PUBCHEM 000658000.mol (via Jmol)
000658002.b3lyp_6-31g(d).inp

000658002.b3lyp_6-31g(d).qchem.inp (generated)

000658002.b3lyp_6-31g(d).gjf (generated)

000658002.b3lyp_6-31g(d).firefly.inp (generated)

000658002.b3lyp_6-31g(d).smash.inp (generated)

000658002.b3lyp_6-31g(d).nwchem.inp (generated) 000658002.b3lyp_6-31g(d).log.xz 000658002.td-b3lyp_6-31g+(d).inp 000658002.td-b3lyp_6-31g+(d).log.xz

000658002.td-b3lyp_6-31+g(d).qchem.inp (generated)

000658002.td-b3lyp_6-31+g(d).gjf (generated)

000658002.td-b3lyp_6-31+g(d).firefly.inp (generated)

000658002.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000658002.mol 000658002.PUBCHEM 000658002.mol (via Jmol)
000658007.b3lyp_6-31g(d).inp

000658007.b3lyp_6-31g(d).qchem.inp (generated)

000658007.b3lyp_6-31g(d).gjf (generated)

000658007.b3lyp_6-31g(d).firefly.inp (generated)

000658007.b3lyp_6-31g(d).smash.inp (generated)

000658007.b3lyp_6-31g(d).nwchem.inp (generated) 000658007.b3lyp_6-31g(d).log.xz 000658007.td-b3lyp_6-31g+(d).inp 000658007.td-b3lyp_6-31g+(d).log.xz

000658007.td-b3lyp_6-31+g(d).qchem.inp (generated)

000658007.td-b3lyp_6-31+g(d).gjf (generated)

000658007.td-b3lyp_6-31+g(d).firefly.inp (generated)

000658007.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000658007.mol 000658007.PUBCHEM 000658007.mol (via Jmol)
000658026.b3lyp_6-31g(d).inp

000658026.b3lyp_6-31g(d).qchem.inp (generated)

000658026.b3lyp_6-31g(d).gjf (generated)

000658026.b3lyp_6-31g(d).firefly.inp (generated)

000658026.b3lyp_6-31g(d).smash.inp (generated)

000658026.b3lyp_6-31g(d).nwchem.inp (generated) 000658026.b3lyp_6-31g(d).log.xz 000658026.td-b3lyp_6-31g+(d).inp 000658026.td-b3lyp_6-31g+(d).log.xz

000658026.td-b3lyp_6-31+g(d).qchem.inp (generated)

000658026.td-b3lyp_6-31+g(d).gjf (generated)

000658026.td-b3lyp_6-31+g(d).firefly.inp (generated)

000658026.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000658026.mol 000658026.PUBCHEM 000658026.mol (via Jmol)
000658045.b3lyp_6-31g(d).inp

000658045.b3lyp_6-31g(d).qchem.inp (generated)

000658045.b3lyp_6-31g(d).gjf (generated)

000658045.b3lyp_6-31g(d).firefly.inp (generated)

000658045.b3lyp_6-31g(d).smash.inp (generated)

000658045.b3lyp_6-31g(d).nwchem.inp (generated) 000658045.b3lyp_6-31g(d).log.xz 000658045.td-b3lyp_6-31g+(d).inp 000658045.td-b3lyp_6-31g+(d).log.xz

000658045.td-b3lyp_6-31+g(d).qchem.inp (generated)

000658045.td-b3lyp_6-31+g(d).gjf (generated)

000658045.td-b3lyp_6-31+g(d).firefly.inp (generated)

000658045.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000658045.mol 000658045.PUBCHEM 000658045.mol (via Jmol)
000658047.b3lyp_6-31g(d).inp

000658047.b3lyp_6-31g(d).qchem.inp (generated)

000658047.b3lyp_6-31g(d).gjf (generated)

000658047.b3lyp_6-31g(d).firefly.inp (generated)

000658047.b3lyp_6-31g(d).smash.inp (generated)

000658047.b3lyp_6-31g(d).nwchem.inp (generated) 000658047.b3lyp_6-31g(d).log.xz 000658047.td-b3lyp_6-31g+(d).inp 000658047.td-b3lyp_6-31g+(d).log.xz

000658047.td-b3lyp_6-31+g(d).qchem.inp (generated)

000658047.td-b3lyp_6-31+g(d).gjf (generated)

000658047.td-b3lyp_6-31+g(d).firefly.inp (generated)

000658047.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000658047.mol 000658047.PUBCHEM 000658047.mol (via Jmol)
000658062.b3lyp_6-31g(d).inp

000658062.b3lyp_6-31g(d).qchem.inp (generated)

000658062.b3lyp_6-31g(d).gjf (generated)

000658062.b3lyp_6-31g(d).firefly.inp (generated)

000658062.b3lyp_6-31g(d).smash.inp (generated)

000658062.b3lyp_6-31g(d).nwchem.inp (generated) 000658062.b3lyp_6-31g(d).log.xz 000658062.td-b3lyp_6-31g+(d).inp 000658062.td-b3lyp_6-31g+(d).log.xz

000658062.td-b3lyp_6-31+g(d).qchem.inp (generated)

000658062.td-b3lyp_6-31+g(d).gjf (generated)

000658062.td-b3lyp_6-31+g(d).firefly.inp (generated)

000658062.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000658062.mol 000658062.PUBCHEM 000658062.mol (via Jmol)
000658079.b3lyp_6-31g(d).inp

000658079.b3lyp_6-31g(d).qchem.inp (generated)

000658079.b3lyp_6-31g(d).gjf (generated)

000658079.b3lyp_6-31g(d).firefly.inp (generated)

000658079.b3lyp_6-31g(d).smash.inp (generated)

000658079.b3lyp_6-31g(d).nwchem.inp (generated) 000658079.b3lyp_6-31g(d).log.xz 000658079.td-b3lyp_6-31g+(d).inp 000658079.td-b3lyp_6-31g+(d).log.xz

000658079.td-b3lyp_6-31+g(d).qchem.inp (generated)

000658079.td-b3lyp_6-31+g(d).gjf (generated)

000658079.td-b3lyp_6-31+g(d).firefly.inp (generated)

000658079.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000658079.mol 000658079.PUBCHEM 000658079.mol (via Jmol)
000658090.b3lyp_6-31g(d).inp

000658090.b3lyp_6-31g(d).qchem.inp (generated)

000658090.b3lyp_6-31g(d).gjf (generated)

000658090.b3lyp_6-31g(d).firefly.inp (generated)

000658090.b3lyp_6-31g(d).smash.inp (generated)

000658090.b3lyp_6-31g(d).nwchem.inp (generated) 000658090.b3lyp_6-31g(d).log.xz 000658090.mol 000658090.PUBCHEM 000658090.mol (via Jmol)
000658099.b3lyp_6-31g(d).inp

000658099.b3lyp_6-31g(d).qchem.inp (generated)

000658099.b3lyp_6-31g(d).gjf (generated)

000658099.b3lyp_6-31g(d).firefly.inp (generated)

000658099.b3lyp_6-31g(d).smash.inp (generated)

000658099.b3lyp_6-31g(d).nwchem.inp (generated) 000658099.b3lyp_6-31g(d).log.xz 000658099.td-b3lyp_6-31g+(d).inp 000658099.td-b3lyp_6-31g+(d).log.xz

000658099.td-b3lyp_6-31+g(d).qchem.inp (generated)

000658099.td-b3lyp_6-31+g(d).gjf (generated)

000658099.td-b3lyp_6-31+g(d).firefly.inp (generated)

000658099.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000658099.mol 000658099.PUBCHEM 000658099.mol (via Jmol)
000658108.b3lyp_6-31g(d).inp

000658108.b3lyp_6-31g(d).qchem.inp (generated)

000658108.b3lyp_6-31g(d).gjf (generated)

000658108.b3lyp_6-31g(d).firefly.inp (generated)

000658108.b3lyp_6-31g(d).smash.inp (generated)

000658108.b3lyp_6-31g(d).nwchem.inp (generated) 000658108.b3lyp_6-31g(d).log.xz 000658108.td-b3lyp_6-31g+(d).inp 000658108.td-b3lyp_6-31g+(d).log.xz

000658108.td-b3lyp_6-31+g(d).qchem.inp (generated)

000658108.td-b3lyp_6-31+g(d).gjf (generated)

000658108.td-b3lyp_6-31+g(d).firefly.inp (generated)

000658108.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000658108.mol 000658108.PUBCHEM 000658108.mol (via Jmol)
000658116.b3lyp_6-31g(d).inp

000658116.b3lyp_6-31g(d).qchem.inp (generated)

000658116.b3lyp_6-31g(d).gjf (generated)

000658116.b3lyp_6-31g(d).firefly.inp (generated)

000658116.b3lyp_6-31g(d).smash.inp (generated)

000658116.b3lyp_6-31g(d).nwchem.inp (generated) 000658116.b3lyp_6-31g(d).log.xz 000658116.td-b3lyp_6-31g+(d).inp 000658116.td-b3lyp_6-31g+(d).log.xz

000658116.td-b3lyp_6-31+g(d).qchem.inp (generated)

000658116.td-b3lyp_6-31+g(d).gjf (generated)

000658116.td-b3lyp_6-31+g(d).firefly.inp (generated)

000658116.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000658116.mol 000658116.PUBCHEM 000658116.mol (via Jmol)
000658122.b3lyp_6-31g(d).inp

000658122.b3lyp_6-31g(d).qchem.inp (generated)

000658122.b3lyp_6-31g(d).gjf (generated)

000658122.b3lyp_6-31g(d).firefly.inp (generated)

000658122.b3lyp_6-31g(d).smash.inp (generated)

000658122.b3lyp_6-31g(d).nwchem.inp (generated) 000658122.b3lyp_6-31g(d).log.xz 000658122.td-b3lyp_6-31g+(d).inp 000658122.td-b3lyp_6-31g+(d).log.xz

000658122.td-b3lyp_6-31+g(d).qchem.inp (generated)

000658122.td-b3lyp_6-31+g(d).gjf (generated)

000658122.td-b3lyp_6-31+g(d).firefly.inp (generated)

000658122.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000658122.mol 000658122.PUBCHEM 000658122.mol (via Jmol)
000658124.b3lyp_6-31g(d).inp

000658124.b3lyp_6-31g(d).qchem.inp (generated)

000658124.b3lyp_6-31g(d).gjf (generated)

000658124.b3lyp_6-31g(d).firefly.inp (generated)

000658124.b3lyp_6-31g(d).smash.inp (generated)

000658124.b3lyp_6-31g(d).nwchem.inp (generated) 000658124.b3lyp_6-31g(d).log.xz 000658124.td-b3lyp_6-31g+(d).inp 000658124.td-b3lyp_6-31g+(d).log.xz

000658124.td-b3lyp_6-31+g(d).qchem.inp (generated)

000658124.td-b3lyp_6-31+g(d).gjf (generated)

000658124.td-b3lyp_6-31+g(d).firefly.inp (generated)

000658124.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000658124.mol 000658124.PUBCHEM 000658124.mol (via Jmol)
000658125.b3lyp_6-31g(d).inp

000658125.b3lyp_6-31g(d).qchem.inp (generated)

000658125.b3lyp_6-31g(d).gjf (generated)

000658125.b3lyp_6-31g(d).firefly.inp (generated)

000658125.b3lyp_6-31g(d).smash.inp (generated)

000658125.b3lyp_6-31g(d).nwchem.inp (generated) 000658125.b3lyp_6-31g(d).log.xz 000658125.td-b3lyp_6-31g+(d).inp 000658125.td-b3lyp_6-31g+(d).log.xz

000658125.td-b3lyp_6-31+g(d).qchem.inp (generated)

000658125.td-b3lyp_6-31+g(d).gjf (generated)

000658125.td-b3lyp_6-31+g(d).firefly.inp (generated)

000658125.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000658125.mol 000658125.PUBCHEM 000658125.mol (via Jmol)
000658131.b3lyp_6-31g(d).inp

000658131.b3lyp_6-31g(d).qchem.inp (generated)

000658131.b3lyp_6-31g(d).gjf (generated)

000658131.b3lyp_6-31g(d).firefly.inp (generated)

000658131.b3lyp_6-31g(d).smash.inp (generated)

000658131.b3lyp_6-31g(d).nwchem.inp (generated) 000658131.b3lyp_6-31g(d).log.xz 000658131.td-b3lyp_6-31g+(d).inp 000658131.td-b3lyp_6-31g+(d).log.xz

000658131.td-b3lyp_6-31+g(d).qchem.inp (generated)

000658131.td-b3lyp_6-31+g(d).gjf (generated)

000658131.td-b3lyp_6-31+g(d).firefly.inp (generated)

000658131.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000658131.mol 000658131.PUBCHEM 000658131.mol (via Jmol)
000658141.b3lyp_6-31g(d).inp

000658141.b3lyp_6-31g(d).qchem.inp (generated)

000658141.b3lyp_6-31g(d).gjf (generated)

000658141.b3lyp_6-31g(d).firefly.inp (generated)

000658141.b3lyp_6-31g(d).smash.inp (generated)

000658141.b3lyp_6-31g(d).nwchem.inp (generated) 000658141.b3lyp_6-31g(d).log.xz 000658141.td-b3lyp_6-31g+(d).inp 000658141.td-b3lyp_6-31g+(d).log.xz

000658141.td-b3lyp_6-31+g(d).qchem.inp (generated)

000658141.td-b3lyp_6-31+g(d).gjf (generated)

000658141.td-b3lyp_6-31+g(d).firefly.inp (generated)

000658141.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000658141.mol 000658141.PUBCHEM 000658141.mol (via Jmol)
000658147.b3lyp_6-31g(d).inp

000658147.b3lyp_6-31g(d).qchem.inp (generated)

000658147.b3lyp_6-31g(d).gjf (generated)

000658147.b3lyp_6-31g(d).firefly.inp (generated)

000658147.b3lyp_6-31g(d).smash.inp (generated)

000658147.b3lyp_6-31g(d).nwchem.inp (generated) 000658147.b3lyp_6-31g(d).log.xz 000658147.td-b3lyp_6-31g+(d).inp 000658147.td-b3lyp_6-31g+(d).log.xz

000658147.td-b3lyp_6-31+g(d).qchem.inp (generated)

000658147.td-b3lyp_6-31+g(d).gjf (generated)

000658147.td-b3lyp_6-31+g(d).firefly.inp (generated)

000658147.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000658147.mol 000658147.PUBCHEM 000658147.mol (via Jmol)
000658154.b3lyp_6-31g(d).inp

000658154.b3lyp_6-31g(d).qchem.inp (generated)

000658154.b3lyp_6-31g(d).gjf (generated)

000658154.b3lyp_6-31g(d).firefly.inp (generated)

000658154.b3lyp_6-31g(d).smash.inp (generated)

000658154.b3lyp_6-31g(d).nwchem.inp (generated)