Index of

Last updated : Thu Aug 17 01:52:36 JST 2017
Total : 486 (419) in this page
004000177.b3lyp_6-31g(d).inp

004000177.b3lyp_6-31g(d).qchem.inp (generated)

004000177.b3lyp_6-31g(d).gjf (generated)

004000177.b3lyp_6-31g(d).firefly.inp (generated)

004000177.b3lyp_6-31g(d).smash.inp (generated)

004000177.b3lyp_6-31g(d).nwchem.inp (generated) 004000177.b3lyp_6-31g(d).log.xz 004000177.td-b3lyp_6-31g+(d).inp 004000177.td-b3lyp_6-31g+(d).log.xz

004000177.td-b3lyp_6-31+g(d).qchem.inp (generated)

004000177.td-b3lyp_6-31+g(d).gjf (generated)

004000177.td-b3lyp_6-31+g(d).firefly.inp (generated)

004000177.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004000177.mol 004000177.PUBCHEM 004000177.mol (via Jmol)
004000219.b3lyp_6-31g(d).inp

004000219.b3lyp_6-31g(d).qchem.inp (generated)

004000219.b3lyp_6-31g(d).gjf (generated)

004000219.b3lyp_6-31g(d).firefly.inp (generated)

004000219.b3lyp_6-31g(d).smash.inp (generated)

004000219.b3lyp_6-31g(d).nwchem.inp (generated) 004000219.b3lyp_6-31g(d).log.xz 004000219.td-b3lyp_6-31g+(d).inp 004000219.td-b3lyp_6-31g+(d).log.xz

004000219.td-b3lyp_6-31+g(d).qchem.inp (generated)

004000219.td-b3lyp_6-31+g(d).gjf (generated)

004000219.td-b3lyp_6-31+g(d).firefly.inp (generated)

004000219.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004000219.mol 004000219.PUBCHEM 004000219.mol (via Jmol)
004000270.b3lyp_6-31g(d).inp

004000270.b3lyp_6-31g(d).qchem.inp (generated)

004000270.b3lyp_6-31g(d).gjf (generated)

004000270.b3lyp_6-31g(d).firefly.inp (generated)

004000270.b3lyp_6-31g(d).smash.inp (generated)

004000270.b3lyp_6-31g(d).nwchem.inp (generated) 004000270.b3lyp_6-31g(d).log.xz 004000270.td-b3lyp_6-31g+(d).inp 004000270.td-b3lyp_6-31g+(d).log.xz

004000270.td-b3lyp_6-31+g(d).qchem.inp (generated)

004000270.td-b3lyp_6-31+g(d).gjf (generated)

004000270.td-b3lyp_6-31+g(d).firefly.inp (generated)

004000270.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004000270.mol 004000270.PUBCHEM 004000270.mol (via Jmol)
004000307.b3lyp_6-31g(d).inp

004000307.b3lyp_6-31g(d).qchem.inp (generated)

004000307.b3lyp_6-31g(d).gjf (generated)

004000307.b3lyp_6-31g(d).firefly.inp (generated)

004000307.b3lyp_6-31g(d).smash.inp (generated)

004000307.b3lyp_6-31g(d).nwchem.inp (generated) 004000307.b3lyp_6-31g(d).log.xz 004000307.td-b3lyp_6-31g+(d).inp 004000307.td-b3lyp_6-31g+(d).log.xz

004000307.td-b3lyp_6-31+g(d).qchem.inp (generated)

004000307.td-b3lyp_6-31+g(d).gjf (generated)

004000307.td-b3lyp_6-31+g(d).firefly.inp (generated)

004000307.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004000307.mol 004000307.PUBCHEM 004000307.mol (via Jmol)
004000532.b3lyp_6-31g(d).inp

004000532.b3lyp_6-31g(d).qchem.inp (generated)

004000532.b3lyp_6-31g(d).gjf (generated)

004000532.b3lyp_6-31g(d).firefly.inp (generated)

004000532.b3lyp_6-31g(d).smash.inp (generated)

004000532.b3lyp_6-31g(d).nwchem.inp (generated) 004000532.b3lyp_6-31g(d).log.xz 004000532.td-b3lyp_6-31g+(d).inp 004000532.td-b3lyp_6-31g+(d).log.xz

004000532.td-b3lyp_6-31+g(d).qchem.inp (generated)

004000532.td-b3lyp_6-31+g(d).gjf (generated)

004000532.td-b3lyp_6-31+g(d).firefly.inp (generated)

004000532.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004000532.mol 004000532.PUBCHEM 004000532.mol (via Jmol)
004000539.b3lyp_6-31g(d).inp

004000539.b3lyp_6-31g(d).qchem.inp (generated)

004000539.b3lyp_6-31g(d).gjf (generated)

004000539.b3lyp_6-31g(d).firefly.inp (generated)

004000539.b3lyp_6-31g(d).smash.inp (generated)

004000539.b3lyp_6-31g(d).nwchem.inp (generated) 004000539.b3lyp_6-31g(d).log.xz 004000539.td-b3lyp_6-31g+(d).inp 004000539.td-b3lyp_6-31g+(d).log.xz

004000539.td-b3lyp_6-31+g(d).qchem.inp (generated)

004000539.td-b3lyp_6-31+g(d).gjf (generated)

004000539.td-b3lyp_6-31+g(d).firefly.inp (generated)

004000539.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004000539.mol 004000539.PUBCHEM 004000539.mol (via Jmol)
004000577.b3lyp_6-31g(d).inp

004000577.b3lyp_6-31g(d).qchem.inp (generated)

004000577.b3lyp_6-31g(d).gjf (generated)

004000577.b3lyp_6-31g(d).firefly.inp (generated)

004000577.b3lyp_6-31g(d).smash.inp (generated)

004000577.b3lyp_6-31g(d).nwchem.inp (generated) 004000577.b3lyp_6-31g(d).log.xz 004000577.td-b3lyp_6-31g+(d).inp 004000577.td-b3lyp_6-31g+(d).log.xz

004000577.td-b3lyp_6-31+g(d).qchem.inp (generated)

004000577.td-b3lyp_6-31+g(d).gjf (generated)

004000577.td-b3lyp_6-31+g(d).firefly.inp (generated)

004000577.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004000577.mol 004000577.PUBCHEM 004000577.mol (via Jmol)
004000704.b3lyp_6-31g(d).inp

004000704.b3lyp_6-31g(d).qchem.inp (generated)

004000704.b3lyp_6-31g(d).gjf (generated)

004000704.b3lyp_6-31g(d).firefly.inp (generated)

004000704.b3lyp_6-31g(d).smash.inp (generated)

004000704.b3lyp_6-31g(d).nwchem.inp (generated) 004000704.b3lyp_6-31g(d).log.xz 004000704.mol 004000704.PUBCHEM 004000704.mol (via Jmol)
004000725.b3lyp_6-31g(d).inp

004000725.b3lyp_6-31g(d).qchem.inp (generated)

004000725.b3lyp_6-31g(d).gjf (generated)

004000725.b3lyp_6-31g(d).firefly.inp (generated)

004000725.b3lyp_6-31g(d).smash.inp (generated)

004000725.b3lyp_6-31g(d).nwchem.inp (generated) 004000725.b3lyp_6-31g(d).log.xz 004000725.td-b3lyp_6-31g+(d).inp 004000725.td-b3lyp_6-31g+(d).log.xz

004000725.td-b3lyp_6-31+g(d).qchem.inp (generated)

004000725.td-b3lyp_6-31+g(d).gjf (generated)

004000725.td-b3lyp_6-31+g(d).firefly.inp (generated)

004000725.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004000725.mol 004000725.PUBCHEM 004000725.mol (via Jmol)
004000726.b3lyp_6-31g(d).inp

004000726.b3lyp_6-31g(d).qchem.inp (generated)

004000726.b3lyp_6-31g(d).gjf (generated)

004000726.b3lyp_6-31g(d).firefly.inp (generated)

004000726.b3lyp_6-31g(d).smash.inp (generated)

004000726.b3lyp_6-31g(d).nwchem.inp (generated) 004000726.b3lyp_6-31g(d).log.xz 004000726.td-b3lyp_6-31g+(d).inp 004000726.td-b3lyp_6-31g+(d).log.xz

004000726.td-b3lyp_6-31+g(d).qchem.inp (generated)

004000726.td-b3lyp_6-31+g(d).gjf (generated)

004000726.td-b3lyp_6-31+g(d).firefly.inp (generated)

004000726.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004000726.mol 004000726.PUBCHEM 004000726.mol (via Jmol)
004000775.b3lyp_6-31g(d).inp

004000775.b3lyp_6-31g(d).qchem.inp (generated)

004000775.b3lyp_6-31g(d).gjf (generated)

004000775.b3lyp_6-31g(d).firefly.inp (generated)

004000775.b3lyp_6-31g(d).smash.inp (generated)

004000775.b3lyp_6-31g(d).nwchem.inp (generated) 004000775.b3lyp_6-31g(d).log.xz 004000775.td-b3lyp_6-31g+(d).inp 004000775.td-b3lyp_6-31g+(d).log.xz

004000775.td-b3lyp_6-31+g(d).qchem.inp (generated)

004000775.td-b3lyp_6-31+g(d).gjf (generated)

004000775.td-b3lyp_6-31+g(d).firefly.inp (generated)

004000775.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004000775.mol 004000775.PUBCHEM 004000775.mol (via Jmol)
004000779.b3lyp_6-31g(d).inp

004000779.b3lyp_6-31g(d).qchem.inp (generated)

004000779.b3lyp_6-31g(d).gjf (generated)

004000779.b3lyp_6-31g(d).firefly.inp (generated)

004000779.b3lyp_6-31g(d).smash.inp (generated)

004000779.b3lyp_6-31g(d).nwchem.inp (generated) 004000779.b3lyp_6-31g(d).log.xz 004000779.td-b3lyp_6-31g+(d).inp 004000779.td-b3lyp_6-31g+(d).log.xz

004000779.td-b3lyp_6-31+g(d).qchem.inp (generated)

004000779.td-b3lyp_6-31+g(d).gjf (generated)

004000779.td-b3lyp_6-31+g(d).firefly.inp (generated)

004000779.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004000779.mol 004000779.PUBCHEM 004000779.mol (via Jmol)
004000825.b3lyp_6-31g(d).inp

004000825.b3lyp_6-31g(d).qchem.inp (generated)

004000825.b3lyp_6-31g(d).gjf (generated)

004000825.b3lyp_6-31g(d).firefly.inp (generated)

004000825.b3lyp_6-31g(d).smash.inp (generated)

004000825.b3lyp_6-31g(d).nwchem.inp (generated) 004000825.b3lyp_6-31g(d).log.xz 004000825.td-b3lyp_6-31g+(d).inp 004000825.td-b3lyp_6-31g+(d).log.xz

004000825.td-b3lyp_6-31+g(d).qchem.inp (generated)

004000825.td-b3lyp_6-31+g(d).gjf (generated)

004000825.td-b3lyp_6-31+g(d).firefly.inp (generated)

004000825.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004000825.mol 004000825.PUBCHEM 004000825.mol (via Jmol)
004000826.b3lyp_6-31g(d).inp

004000826.b3lyp_6-31g(d).qchem.inp (generated)

004000826.b3lyp_6-31g(d).gjf (generated)

004000826.b3lyp_6-31g(d).firefly.inp (generated)

004000826.b3lyp_6-31g(d).smash.inp (generated)

004000826.b3lyp_6-31g(d).nwchem.inp (generated) 004000826.b3lyp_6-31g(d).log.xz 004000826.td-b3lyp_6-31g+(d).inp 004000826.td-b3lyp_6-31g+(d).log.xz

004000826.td-b3lyp_6-31+g(d).qchem.inp (generated)

004000826.td-b3lyp_6-31+g(d).gjf (generated)

004000826.td-b3lyp_6-31+g(d).firefly.inp (generated)

004000826.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004000826.mol 004000826.PUBCHEM 004000826.mol (via Jmol)
004000977.b3lyp_6-31g(d).inp

004000977.b3lyp_6-31g(d).qchem.inp (generated)

004000977.b3lyp_6-31g(d).gjf (generated)

004000977.b3lyp_6-31g(d).firefly.inp (generated)

004000977.b3lyp_6-31g(d).smash.inp (generated)

004000977.b3lyp_6-31g(d).nwchem.inp (generated) 004000977.b3lyp_6-31g(d).log.xz 004000977.td-b3lyp_6-31g+(d).inp 004000977.td-b3lyp_6-31g+(d).log.xz

004000977.td-b3lyp_6-31+g(d).qchem.inp (generated)

004000977.td-b3lyp_6-31+g(d).gjf (generated)

004000977.td-b3lyp_6-31+g(d).firefly.inp (generated)

004000977.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004000977.mol 004000977.PUBCHEM 004000977.mol (via Jmol)
004001017.b3lyp_6-31g(d).inp

004001017.b3lyp_6-31g(d).qchem.inp (generated)

004001017.b3lyp_6-31g(d).gjf (generated)

004001017.b3lyp_6-31g(d).firefly.inp (generated)

004001017.b3lyp_6-31g(d).smash.inp (generated)

004001017.b3lyp_6-31g(d).nwchem.inp (generated) 004001017.b3lyp_6-31g(d).log.xz 004001017.td-b3lyp_6-31g+(d).inp 004001017.td-b3lyp_6-31g+(d).log.xz

004001017.td-b3lyp_6-31+g(d).qchem.inp (generated)

004001017.td-b3lyp_6-31+g(d).gjf (generated)

004001017.td-b3lyp_6-31+g(d).firefly.inp (generated)

004001017.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004001017.mol 004001017.PUBCHEM 004001017.mol (via Jmol)
004001032.b3lyp_6-31g(d).inp

004001032.b3lyp_6-31g(d).qchem.inp (generated)

004001032.b3lyp_6-31g(d).gjf (generated)

004001032.b3lyp_6-31g(d).firefly.inp (generated)

004001032.b3lyp_6-31g(d).smash.inp (generated)

004001032.b3lyp_6-31g(d).nwchem.inp (generated) 004001032.b3lyp_6-31g(d).log.xz 004001032.td-b3lyp_6-31g+(d).inp 004001032.td-b3lyp_6-31g+(d).log.xz

004001032.td-b3lyp_6-31+g(d).qchem.inp (generated)

004001032.td-b3lyp_6-31+g(d).gjf (generated)

004001032.td-b3lyp_6-31+g(d).firefly.inp (generated)

004001032.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004001032.mol 004001032.PUBCHEM 004001032.mol (via Jmol)
004001075.b3lyp_6-31g(d).inp

004001075.b3lyp_6-31g(d).qchem.inp (generated)

004001075.b3lyp_6-31g(d).gjf (generated)

004001075.b3lyp_6-31g(d).firefly.inp (generated)

004001075.b3lyp_6-31g(d).smash.inp (generated)

004001075.b3lyp_6-31g(d).nwchem.inp (generated) 004001075.b3lyp_6-31g(d).log.xz 004001075.td-b3lyp_6-31g+(d).inp 004001075.td-b3lyp_6-31g+(d).log.xz

004001075.td-b3lyp_6-31+g(d).qchem.inp (generated)

004001075.td-b3lyp_6-31+g(d).gjf (generated)

004001075.td-b3lyp_6-31+g(d).firefly.inp (generated)

004001075.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004001075.mol 004001075.PUBCHEM 004001075.mol (via Jmol)
004001082.b3lyp_6-31g(d).inp

004001082.b3lyp_6-31g(d).qchem.inp (generated)

004001082.b3lyp_6-31g(d).gjf (generated)

004001082.b3lyp_6-31g(d).firefly.inp (generated)

004001082.b3lyp_6-31g(d).smash.inp (generated)

004001082.b3lyp_6-31g(d).nwchem.inp (generated) 004001082.b3lyp_6-31g(d).log.xz 004001082.td-b3lyp_6-31g+(d).inp 004001082.td-b3lyp_6-31g+(d).log.xz

004001082.td-b3lyp_6-31+g(d).qchem.inp (generated)

004001082.td-b3lyp_6-31+g(d).gjf (generated)

004001082.td-b3lyp_6-31+g(d).firefly.inp (generated)

004001082.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004001082.mol 004001082.PUBCHEM 004001082.mol (via Jmol)
004001149.b3lyp_6-31g(d).inp

004001149.b3lyp_6-31g(d).qchem.inp (generated)

004001149.b3lyp_6-31g(d).gjf (generated)

004001149.b3lyp_6-31g(d).firefly.inp (generated)

004001149.b3lyp_6-31g(d).smash.inp (generated)

004001149.b3lyp_6-31g(d).nwchem.inp (generated) 004001149.b3lyp_6-31g(d).log.xz 004001149.td-b3lyp_6-31g+(d).inp 004001149.td-b3lyp_6-31g+(d).log.xz

004001149.td-b3lyp_6-31+g(d).qchem.inp (generated)

004001149.td-b3lyp_6-31+g(d).gjf (generated)

004001149.td-b3lyp_6-31+g(d).firefly.inp (generated)

004001149.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004001149.mol 004001149.PUBCHEM 004001149.mol (via Jmol)
004001215.b3lyp_6-31g(d).inp

004001215.b3lyp_6-31g(d).qchem.inp (generated)

004001215.b3lyp_6-31g(d).gjf (generated)

004001215.b3lyp_6-31g(d).firefly.inp (generated)

004001215.b3lyp_6-31g(d).smash.inp (generated)

004001215.b3lyp_6-31g(d).nwchem.inp (generated) 004001215.b3lyp_6-31g(d).log.xz 004001215.td-b3lyp_6-31g+(d).inp 004001215.td-b3lyp_6-31g+(d).log.xz

004001215.td-b3lyp_6-31+g(d).qchem.inp (generated)

004001215.td-b3lyp_6-31+g(d).gjf (generated)

004001215.td-b3lyp_6-31+g(d).firefly.inp (generated)

004001215.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004001215.mol 004001215.PUBCHEM 004001215.mol (via Jmol)
004001236.b3lyp_6-31g(d).inp

004001236.b3lyp_6-31g(d).qchem.inp (generated)

004001236.b3lyp_6-31g(d).gjf (generated)

004001236.b3lyp_6-31g(d).firefly.inp (generated)

004001236.b3lyp_6-31g(d).smash.inp (generated)

004001236.b3lyp_6-31g(d).nwchem.inp (generated) 004001236.b3lyp_6-31g(d).log.xz 004001236.td-b3lyp_6-31g+(d).inp 004001236.td-b3lyp_6-31g+(d).log.xz

004001236.td-b3lyp_6-31+g(d).qchem.inp (generated)

004001236.td-b3lyp_6-31+g(d).gjf (generated)

004001236.td-b3lyp_6-31+g(d).firefly.inp (generated)

004001236.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004001236.mol 004001236.PUBCHEM 004001236.mol (via Jmol)
004001243.b3lyp_6-31g(d).inp

004001243.b3lyp_6-31g(d).qchem.inp (generated)

004001243.b3lyp_6-31g(d).gjf (generated)

004001243.b3lyp_6-31g(d).firefly.inp (generated)

004001243.b3lyp_6-31g(d).smash.inp (generated)

004001243.b3lyp_6-31g(d).nwchem.inp (generated) 004001243.b3lyp_6-31g(d).log.xz 004001243.td-b3lyp_6-31g+(d).inp 004001243.td-b3lyp_6-31g+(d).log.xz

004001243.td-b3lyp_6-31+g(d).qchem.inp (generated)

004001243.td-b3lyp_6-31+g(d).gjf (generated)

004001243.td-b3lyp_6-31+g(d).firefly.inp (generated)

004001243.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004001243.mol 004001243.PUBCHEM 004001243.mol (via Jmol)
004001385.b3lyp_6-31g(d).inp

004001385.b3lyp_6-31g(d).qchem.inp (generated)

004001385.b3lyp_6-31g(d).gjf (generated)

004001385.b3lyp_6-31g(d).firefly.inp (generated)

004001385.b3lyp_6-31g(d).smash.inp (generated)

004001385.b3lyp_6-31g(d).nwchem.inp (generated) 004001385.b3lyp_6-31g(d).log.xz 004001385.td-b3lyp_6-31g+(d).inp 004001385.td-b3lyp_6-31g+(d).log.xz

004001385.td-b3lyp_6-31+g(d).qchem.inp (generated)

004001385.td-b3lyp_6-31+g(d).gjf (generated)

004001385.td-b3lyp_6-31+g(d).firefly.inp (generated)

004001385.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004001385.mol 004001385.PUBCHEM 004001385.mol (via Jmol)
004001464.b3lyp_6-31g(d).inp

004001464.b3lyp_6-31g(d).qchem.inp (generated)

004001464.b3lyp_6-31g(d).gjf (generated)

004001464.b3lyp_6-31g(d).firefly.inp (generated)

004001464.b3lyp_6-31g(d).smash.inp (generated)

004001464.b3lyp_6-31g(d).nwchem.inp (generated) 004001464.b3lyp_6-31g(d).log.xz 004001464.td-b3lyp_6-31g+(d).inp 004001464.td-b3lyp_6-31g+(d).log.xz

004001464.td-b3lyp_6-31+g(d).qchem.inp (generated)

004001464.td-b3lyp_6-31+g(d).gjf (generated)

004001464.td-b3lyp_6-31+g(d).firefly.inp (generated)

004001464.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004001464.mol 004001464.PUBCHEM 004001464.mol (via Jmol)
004001499.b3lyp_6-31g(d).inp

004001499.b3lyp_6-31g(d).qchem.inp (generated)

004001499.b3lyp_6-31g(d).gjf (generated)

004001499.b3lyp_6-31g(d).firefly.inp (generated)

004001499.b3lyp_6-31g(d).smash.inp (generated)

004001499.b3lyp_6-31g(d).nwchem.inp (generated) 004001499.b3lyp_6-31g(d).log.xz 004001499.td-b3lyp_6-31g+(d).inp 004001499.td-b3lyp_6-31g+(d).log.xz

004001499.td-b3lyp_6-31+g(d).qchem.inp (generated)

004001499.td-b3lyp_6-31+g(d).gjf (generated)

004001499.td-b3lyp_6-31+g(d).firefly.inp (generated)

004001499.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004001499.mol 004001499.PUBCHEM 004001499.mol (via Jmol)
004001573.b3lyp_6-31g(d).inp

004001573.b3lyp_6-31g(d).qchem.inp (generated)

004001573.b3lyp_6-31g(d).gjf (generated)

004001573.b3lyp_6-31g(d).firefly.inp (generated)

004001573.b3lyp_6-31g(d).smash.inp (generated)

004001573.b3lyp_6-31g(d).nwchem.inp (generated) 004001573.b3lyp_6-31g(d).log.xz 004001573.td-b3lyp_6-31g+(d).inp 004001573.td-b3lyp_6-31g+(d).log.xz

004001573.td-b3lyp_6-31+g(d).qchem.inp (generated)

004001573.td-b3lyp_6-31+g(d).gjf (generated)

004001573.td-b3lyp_6-31+g(d).firefly.inp (generated)

004001573.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004001573.mol 004001573.PUBCHEM 004001573.mol (via Jmol)
004001574.b3lyp_6-31g(d).inp

004001574.b3lyp_6-31g(d).qchem.inp (generated)

004001574.b3lyp_6-31g(d).gjf (generated)

004001574.b3lyp_6-31g(d).firefly.inp (generated)

004001574.b3lyp_6-31g(d).smash.inp (generated)

004001574.b3lyp_6-31g(d).nwchem.inp (generated) 004001574.b3lyp_6-31g(d).log.xz 004001574.td-b3lyp_6-31g+(d).inp 004001574.td-b3lyp_6-31g+(d).log.xz

004001574.td-b3lyp_6-31+g(d).qchem.inp (generated)

004001574.td-b3lyp_6-31+g(d).gjf (generated)

004001574.td-b3lyp_6-31+g(d).firefly.inp (generated)

004001574.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004001574.mol 004001574.PUBCHEM 004001574.mol (via Jmol)
004001814.b3lyp_6-31g(d).inp

004001814.b3lyp_6-31g(d).qchem.inp (generated)

004001814.b3lyp_6-31g(d).gjf (generated)

004001814.b3lyp_6-31g(d).firefly.inp (generated)

004001814.b3lyp_6-31g(d).smash.inp (generated)

004001814.b3lyp_6-31g(d).nwchem.inp (generated) 004001814.b3lyp_6-31g(d).log.xz 004001814.td-b3lyp_6-31g+(d).inp 004001814.td-b3lyp_6-31g+(d).log.xz

004001814.td-b3lyp_6-31+g(d).qchem.inp (generated)

004001814.td-b3lyp_6-31+g(d).gjf (generated)

004001814.td-b3lyp_6-31+g(d).firefly.inp (generated)

004001814.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004001814.mol 004001814.PUBCHEM 004001814.mol (via Jmol)
004001839.b3lyp_6-31g(d).inp

004001839.b3lyp_6-31g(d).qchem.inp (generated)

004001839.b3lyp_6-31g(d).gjf (generated)

004001839.b3lyp_6-31g(d).firefly.inp (generated)

004001839.b3lyp_6-31g(d).smash.inp (generated)

004001839.b3lyp_6-31g(d).nwchem.inp (generated) 004001839.b3lyp_6-31g(d).log.xz 004001839.td-b3lyp_6-31g+(d).inp 004001839.td-b3lyp_6-31g+(d).log.xz

004001839.td-b3lyp_6-31+g(d).qchem.inp (generated)

004001839.td-b3lyp_6-31+g(d).gjf (generated)

004001839.td-b3lyp_6-31+g(d).firefly.inp (generated)

004001839.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004001839.mol 004001839.PUBCHEM 004001839.mol (via Jmol)
004001855.b3lyp_6-31g(d).inp

004001855.b3lyp_6-31g(d).qchem.inp (generated)

004001855.b3lyp_6-31g(d).gjf (generated)

004001855.b3lyp_6-31g(d).firefly.inp (generated)

004001855.b3lyp_6-31g(d).smash.inp (generated)

004001855.b3lyp_6-31g(d).nwchem.inp (generated) 004001855.b3lyp_6-31g(d).log.xz 004001855.td-b3lyp_6-31g+(d).inp 004001855.td-b3lyp_6-31g+(d).log.xz

004001855.td-b3lyp_6-31+g(d).qchem.inp (generated)

004001855.td-b3lyp_6-31+g(d).gjf (generated)

004001855.td-b3lyp_6-31+g(d).firefly.inp (generated)

004001855.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004001855.mol 004001855.PUBCHEM 004001855.mol (via Jmol)
004001971.b3lyp_6-31g(d).inp

004001971.b3lyp_6-31g(d).qchem.inp (generated)

004001971.b3lyp_6-31g(d).gjf (generated)

004001971.b3lyp_6-31g(d).firefly.inp (generated)

004001971.b3lyp_6-31g(d).smash.inp (generated)

004001971.b3lyp_6-31g(d).nwchem.inp (generated) 004001971.b3lyp_6-31g(d).log.xz 004001971.td-b3lyp_6-31g+(d).inp 004001971.td-b3lyp_6-31g+(d).log.xz

004001971.td-b3lyp_6-31+g(d).qchem.inp (generated)

004001971.td-b3lyp_6-31+g(d).gjf (generated)

004001971.td-b3lyp_6-31+g(d).firefly.inp (generated)

004001971.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004001971.mol 004001971.PUBCHEM 004001971.mol (via Jmol)
004002048.b3lyp_6-31g(d).inp

004002048.b3lyp_6-31g(d).qchem.inp (generated)

004002048.b3lyp_6-31g(d).gjf (generated)

004002048.b3lyp_6-31g(d).firefly.inp (generated)

004002048.b3lyp_6-31g(d).smash.inp (generated)

004002048.b3lyp_6-31g(d).nwchem.inp (generated) 004002048.b3lyp_6-31g(d).log.xz 004002048.td-b3lyp_6-31g+(d).inp 004002048.td-b3lyp_6-31g+(d).log.xz

004002048.td-b3lyp_6-31+g(d).qchem.inp (generated)

004002048.td-b3lyp_6-31+g(d).gjf (generated)

004002048.td-b3lyp_6-31+g(d).firefly.inp (generated)

004002048.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004002048.mol 004002048.PUBCHEM 004002048.mol (via Jmol)
004002049.b3lyp_6-31g(d).inp

004002049.b3lyp_6-31g(d).qchem.inp (generated)

004002049.b3lyp_6-31g(d).gjf (generated)

004002049.b3lyp_6-31g(d).firefly.inp (generated)

004002049.b3lyp_6-31g(d).smash.inp (generated)

004002049.b3lyp_6-31g(d).nwchem.inp (generated) 004002049.b3lyp_6-31g(d).log.xz 004002049.td-b3lyp_6-31g+(d).inp 004002049.td-b3lyp_6-31g+(d).log.xz

004002049.td-b3lyp_6-31+g(d).qchem.inp (generated)

004002049.td-b3lyp_6-31+g(d).gjf (generated)

004002049.td-b3lyp_6-31+g(d).firefly.inp (generated)

004002049.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004002049.mol 004002049.PUBCHEM 004002049.mol (via Jmol)
004002093.b3lyp_6-31g(d).inp

004002093.b3lyp_6-31g(d).qchem.inp (generated)

004002093.b3lyp_6-31g(d).gjf (generated)

004002093.b3lyp_6-31g(d).firefly.inp (generated)

004002093.b3lyp_6-31g(d).smash.inp (generated)

004002093.b3lyp_6-31g(d).nwchem.inp (generated) 004002093.b3lyp_6-31g(d).log.xz 004002093.td-b3lyp_6-31g+(d).inp 004002093.td-b3lyp_6-31g+(d).log.xz

004002093.td-b3lyp_6-31+g(d).qchem.inp (generated)

004002093.td-b3lyp_6-31+g(d).gjf (generated)

004002093.td-b3lyp_6-31+g(d).firefly.inp (generated)

004002093.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004002093.mol 004002093.PUBCHEM 004002093.mol (via Jmol)
004002421.b3lyp_6-31g(d).inp

004002421.b3lyp_6-31g(d).qchem.inp (generated)

004002421.b3lyp_6-31g(d).gjf (generated)

004002421.b3lyp_6-31g(d).firefly.inp (generated)

004002421.b3lyp_6-31g(d).smash.inp (generated)

004002421.b3lyp_6-31g(d).nwchem.inp (generated) 004002421.b3lyp_6-31g(d).log.xz 004002421.td-b3lyp_6-31g+(d).inp 004002421.td-b3lyp_6-31g+(d).log.xz

004002421.td-b3lyp_6-31+g(d).qchem.inp (generated)

004002421.td-b3lyp_6-31+g(d).gjf (generated)

004002421.td-b3lyp_6-31+g(d).firefly.inp (generated)

004002421.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004002421.mol 004002421.PUBCHEM 004002421.mol (via Jmol)
004002731.b3lyp_6-31g(d).inp

004002731.b3lyp_6-31g(d).qchem.inp (generated)

004002731.b3lyp_6-31g(d).gjf (generated)

004002731.b3lyp_6-31g(d).firefly.inp (generated)

004002731.b3lyp_6-31g(d).smash.inp (generated)

004002731.b3lyp_6-31g(d).nwchem.inp (generated) 004002731.b3lyp_6-31g(d).log.xz 004002731.td-b3lyp_6-31g+(d).inp 004002731.td-b3lyp_6-31g+(d).log.xz

004002731.td-b3lyp_6-31+g(d).qchem.inp (generated)

004002731.td-b3lyp_6-31+g(d).gjf (generated)

004002731.td-b3lyp_6-31+g(d).firefly.inp (generated)

004002731.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004002731.mol 004002731.PUBCHEM 004002731.mol (via Jmol)
004002747.b3lyp_6-31g(d).inp

004002747.b3lyp_6-31g(d).qchem.inp (generated)

004002747.b3lyp_6-31g(d).gjf (generated)

004002747.b3lyp_6-31g(d).firefly.inp (generated)

004002747.b3lyp_6-31g(d).smash.inp (generated)

004002747.b3lyp_6-31g(d).nwchem.inp (generated) 004002747.b3lyp_6-31g(d).log.xz 004002747.td-b3lyp_6-31g+(d).inp 004002747.td-b3lyp_6-31g+(d).log.xz

004002747.td-b3lyp_6-31+g(d).qchem.inp (generated)

004002747.td-b3lyp_6-31+g(d).gjf (generated)

004002747.td-b3lyp_6-31+g(d).firefly.inp (generated)

004002747.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004002747.mol 004002747.PUBCHEM 004002747.mol (via Jmol)
004002749.b3lyp_6-31g(d).inp

004002749.b3lyp_6-31g(d).qchem.inp (generated)

004002749.b3lyp_6-31g(d).gjf (generated)

004002749.b3lyp_6-31g(d).firefly.inp (generated)

004002749.b3lyp_6-31g(d).smash.inp (generated)

004002749.b3lyp_6-31g(d).nwchem.inp (generated) 004002749.b3lyp_6-31g(d).log.xz 004002749.td-b3lyp_6-31g+(d).inp 004002749.td-b3lyp_6-31g+(d).log.xz

004002749.td-b3lyp_6-31+g(d).qchem.inp (generated)

004002749.td-b3lyp_6-31+g(d).gjf (generated)

004002749.td-b3lyp_6-31+g(d).firefly.inp (generated)

004002749.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004002749.mol 004002749.PUBCHEM 004002749.mol (via Jmol)
004002828.b3lyp_6-31g(d).inp

004002828.b3lyp_6-31g(d).qchem.inp (generated)

004002828.b3lyp_6-31g(d).gjf (generated)

004002828.b3lyp_6-31g(d).firefly.inp (generated)

004002828.b3lyp_6-31g(d).smash.inp (generated)

004002828.b3lyp_6-31g(d).nwchem.inp (generated) 004002828.b3lyp_6-31g(d).log.xz 004002828.td-b3lyp_6-31g+(d).inp 004002828.td-b3lyp_6-31g+(d).log.xz

004002828.td-b3lyp_6-31+g(d).qchem.inp (generated)

004002828.td-b3lyp_6-31+g(d).gjf (generated)

004002828.td-b3lyp_6-31+g(d).firefly.inp (generated)

004002828.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004002828.mol 004002828.PUBCHEM 004002828.mol (via Jmol)
004002881.b3lyp_6-31g(d).inp

004002881.b3lyp_6-31g(d).qchem.inp (generated)

004002881.b3lyp_6-31g(d).gjf (generated)

004002881.b3lyp_6-31g(d).firefly.inp (generated)

004002881.b3lyp_6-31g(d).smash.inp (generated)

004002881.b3lyp_6-31g(d).nwchem.inp (generated) 004002881.b3lyp_6-31g(d).log.xz 004002881.td-b3lyp_6-31g+(d).inp 004002881.td-b3lyp_6-31g+(d).log.xz

004002881.td-b3lyp_6-31+g(d).qchem.inp (generated)

004002881.td-b3lyp_6-31+g(d).gjf (generated)

004002881.td-b3lyp_6-31+g(d).firefly.inp (generated)

004002881.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004002881.mol 004002881.PUBCHEM 004002881.mol (via Jmol)
004002931.b3lyp_6-31g(d).inp

004002931.b3lyp_6-31g(d).qchem.inp (generated)

004002931.b3lyp_6-31g(d).gjf (generated)

004002931.b3lyp_6-31g(d).firefly.inp (generated)

004002931.b3lyp_6-31g(d).smash.inp (generated)

004002931.b3lyp_6-31g(d).nwchem.inp (generated) 004002931.b3lyp_6-31g(d).log.xz 004002931.td-b3lyp_6-31g+(d).inp 004002931.td-b3lyp_6-31g+(d).log.xz

004002931.td-b3lyp_6-31+g(d).qchem.inp (generated)

004002931.td-b3lyp_6-31+g(d).gjf (generated)

004002931.td-b3lyp_6-31+g(d).firefly.inp (generated)

004002931.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004002931.mol 004002931.PUBCHEM 004002931.mol (via Jmol)
004002938.b3lyp_6-31g(d).inp

004002938.b3lyp_6-31g(d).qchem.inp (generated)

004002938.b3lyp_6-31g(d).gjf (generated)

004002938.b3lyp_6-31g(d).firefly.inp (generated)

004002938.b3lyp_6-31g(d).smash.inp (generated)

004002938.b3lyp_6-31g(d).nwchem.inp (generated) 004002938.b3lyp_6-31g(d).log.xz 004002938.td-b3lyp_6-31g+(d).inp 004002938.td-b3lyp_6-31g+(d).log.xz

004002938.td-b3lyp_6-31+g(d).qchem.inp (generated)

004002938.td-b3lyp_6-31+g(d).gjf (generated)

004002938.td-b3lyp_6-31+g(d).firefly.inp (generated)

004002938.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004002938.mol 004002938.PUBCHEM 004002938.mol (via Jmol)
004003029.b3lyp_6-31g(d).inp

004003029.b3lyp_6-31g(d).qchem.inp (generated)

004003029.b3lyp_6-31g(d).gjf (generated)

004003029.b3lyp_6-31g(d).firefly.inp (generated)

004003029.b3lyp_6-31g(d).smash.inp (generated)

004003029.b3lyp_6-31g(d).nwchem.inp (generated) 004003029.b3lyp_6-31g(d).log.xz 004003029.td-b3lyp_6-31g+(d).inp 004003029.td-b3lyp_6-31g+(d).log.xz

004003029.td-b3lyp_6-31+g(d).qchem.inp (generated)

004003029.td-b3lyp_6-31+g(d).gjf (generated)

004003029.td-b3lyp_6-31+g(d).firefly.inp (generated)

004003029.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004003029.mol 004003029.PUBCHEM 004003029.mol (via Jmol)
004003200.b3lyp_6-31g(d).inp

004003200.b3lyp_6-31g(d).qchem.inp (generated)

004003200.b3lyp_6-31g(d).gjf (generated)

004003200.b3lyp_6-31g(d).firefly.inp (generated)

004003200.b3lyp_6-31g(d).smash.inp (generated)

004003200.b3lyp_6-31g(d).nwchem.inp (generated) 004003200.b3lyp_6-31g(d).log.xz 004003200.td-b3lyp_6-31g+(d).inp 004003200.td-b3lyp_6-31g+(d).log.xz

004003200.td-b3lyp_6-31+g(d).qchem.inp (generated)

004003200.td-b3lyp_6-31+g(d).gjf (generated)

004003200.td-b3lyp_6-31+g(d).firefly.inp (generated)

004003200.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004003200.mol 004003200.PUBCHEM 004003200.mol (via Jmol)
004003263.b3lyp_6-31g(d).inp

004003263.b3lyp_6-31g(d).qchem.inp (generated)

004003263.b3lyp_6-31g(d).gjf (generated)

004003263.b3lyp_6-31g(d).firefly.inp (generated)

004003263.b3lyp_6-31g(d).smash.inp (generated)

004003263.b3lyp_6-31g(d).nwchem.inp (generated) 004003263.b3lyp_6-31g(d).log.xz 004003263.td-b3lyp_6-31g+(d).inp 004003263.td-b3lyp_6-31g+(d).log.xz

004003263.td-b3lyp_6-31+g(d).qchem.inp (generated)

004003263.td-b3lyp_6-31+g(d).gjf (generated)

004003263.td-b3lyp_6-31+g(d).firefly.inp (generated)

004003263.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004003263.mol 004003263.PUBCHEM 004003263.mol (via Jmol)
004003266.b3lyp_6-31g(d).inp

004003266.b3lyp_6-31g(d).qchem.inp (generated)

004003266.b3lyp_6-31g(d).gjf (generated)

004003266.b3lyp_6-31g(d).firefly.inp (generated)

004003266.b3lyp_6-31g(d).smash.inp (generated)

004003266.b3lyp_6-31g(d).nwchem.inp (generated) 004003266.b3lyp_6-31g(d).log.xz 004003266.td-b3lyp_6-31g+(d).inp 004003266.td-b3lyp_6-31g+(d).log.xz

004003266.td-b3lyp_6-31+g(d).qchem.inp (generated)

004003266.td-b3lyp_6-31+g(d).gjf (generated)

004003266.td-b3lyp_6-31+g(d).firefly.inp (generated)

004003266.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004003266.mol 004003266.PUBCHEM 004003266.mol (via Jmol)
004003338.b3lyp_6-31g(d).inp

004003338.b3lyp_6-31g(d).qchem.inp (generated)

004003338.b3lyp_6-31g(d).gjf (generated)

004003338.b3lyp_6-31g(d).firefly.inp (generated)

004003338.b3lyp_6-31g(d).smash.inp (generated)

004003338.b3lyp_6-31g(d).nwchem.inp (generated) 004003338.b3lyp_6-31g(d).log.xz 004003338.td-b3lyp_6-31g+(d).inp 004003338.td-b3lyp_6-31g+(d).log.xz

004003338.td-b3lyp_6-31+g(d).qchem.inp (generated)

004003338.td-b3lyp_6-31+g(d).gjf (generated)

004003338.td-b3lyp_6-31+g(d).firefly.inp (generated)

004003338.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004003338.mol 004003338.PUBCHEM 004003338.mol (via Jmol)
004003416.b3lyp_6-31g(d).inp

004003416.b3lyp_6-31g(d).qchem.inp (generated)

004003416.b3lyp_6-31g(d).gjf (generated)

004003416.b3lyp_6-31g(d).firefly.inp (generated)

004003416.b3lyp_6-31g(d).smash.inp (generated)

004003416.b3lyp_6-31g(d).nwchem.inp (generated) 004003416.b3lyp_6-31g(d).log.xz 004003416.td-b3lyp_6-31g+(d).inp 004003416.td-b3lyp_6-31g+(d).log.xz

004003416.td-b3lyp_6-31+g(d).qchem.inp (generated)

004003416.td-b3lyp_6-31+g(d).gjf (generated)

004003416.td-b3lyp_6-31+g(d).firefly.inp (generated)

004003416.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004003416.mol 004003416.PUBCHEM 004003416.mol (via Jmol)
004003417.b3lyp_6-31g(d).inp

004003417.b3lyp_6-31g(d).qchem.inp (generated)

004003417.b3lyp_6-31g(d).gjf (generated)

004003417.b3lyp_6-31g(d).firefly.inp (generated)

004003417.b3lyp_6-31g(d).smash.inp (generated)

004003417.b3lyp_6-31g(d).nwchem.inp (generated) 004003417.b3lyp_6-31g(d).log.xz 004003417.td-b3lyp_6-31g+(d).inp 004003417.td-b3lyp_6-31g+(d).log.xz

004003417.td-b3lyp_6-31+g(d).qchem.inp (generated)

004003417.td-b3lyp_6-31+g(d).gjf (generated)

004003417.td-b3lyp_6-31+g(d).firefly.inp (generated)

004003417.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004003417.mol 004003417.PUBCHEM 004003417.mol (via Jmol)
004003428.b3lyp_6-31g(d).inp

004003428.b3lyp_6-31g(d).qchem.inp (generated)

004003428.b3lyp_6-31g(d).gjf (generated)

004003428.b3lyp_6-31g(d).firefly.inp (generated)

004003428.b3lyp_6-31g(d).smash.inp (generated)

004003428.b3lyp_6-31g(d).nwchem.inp (generated) 004003428.b3lyp_6-31g(d).log.xz 004003428.td-b3lyp_6-31g+(d).inp 004003428.td-b3lyp_6-31g+(d).log.xz

004003428.td-b3lyp_6-31+g(d).qchem.inp (generated)

004003428.td-b3lyp_6-31+g(d).gjf (generated)

004003428.td-b3lyp_6-31+g(d).firefly.inp (generated)

004003428.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004003428.mol 004003428.PUBCHEM 004003428.mol (via Jmol)
004003444.b3lyp_6-31g(d).inp

004003444.b3lyp_6-31g(d).qchem.inp (generated)

004003444.b3lyp_6-31g(d).gjf (generated)

004003444.b3lyp_6-31g(d).firefly.inp (generated)

004003444.b3lyp_6-31g(d).smash.inp (generated)

004003444.b3lyp_6-31g(d).nwchem.inp (generated) 004003444.b3lyp_6-31g(d).log.xz 004003444.td-b3lyp_6-31g+(d).inp 004003444.td-b3lyp_6-31g+(d).log.xz

004003444.td-b3lyp_6-31+g(d).qchem.inp (generated)

004003444.td-b3lyp_6-31+g(d).gjf (generated)

004003444.td-b3lyp_6-31+g(d).firefly.inp (generated)

004003444.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004003444.mol 004003444.PUBCHEM 004003444.mol (via Jmol)
004003515.b3lyp_6-31g(d).inp

004003515.b3lyp_6-31g(d).qchem.inp (generated)

004003515.b3lyp_6-31g(d).gjf (generated)

004003515.b3lyp_6-31g(d).firefly.inp (generated)

004003515.b3lyp_6-31g(d).smash.inp (generated)

004003515.b3lyp_6-31g(d).nwchem.inp (generated) 004003515.b3lyp_6-31g(d).log.xz 004003515.mol 004003515.PUBCHEM 004003515.mol (via Jmol)
004003563.b3lyp_6-31g(d).inp

004003563.b3lyp_6-31g(d).qchem.inp (generated)

004003563.b3lyp_6-31g(d).gjf (generated)

004003563.b3lyp_6-31g(d).firefly.inp (generated)

004003563.b3lyp_6-31g(d).smash.inp (generated)

004003563.b3lyp_6-31g(d).nwchem.inp (generated) 004003563.b3lyp_6-31g(d).log.xz 004003563.td-b3lyp_6-31g+(d).inp 004003563.td-b3lyp_6-31g+(d).log.xz

004003563.td-b3lyp_6-31+g(d).qchem.inp (generated)

004003563.td-b3lyp_6-31+g(d).gjf (generated)

004003563.td-b3lyp_6-31+g(d).firefly.inp (generated)

004003563.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004003563.mol 004003563.PUBCHEM 004003563.mol (via Jmol)
004003704.b3lyp_6-31g(d).inp

004003704.b3lyp_6-31g(d).qchem.inp (generated)

004003704.b3lyp_6-31g(d).gjf (generated)

004003704.b3lyp_6-31g(d).firefly.inp (generated)

004003704.b3lyp_6-31g(d).smash.inp (generated)

004003704.b3lyp_6-31g(d).nwchem.inp (generated) 004003704.b3lyp_6-31g(d).log.xz 004003704.td-b3lyp_6-31g+(d).inp 004003704.td-b3lyp_6-31g+(d).log.xz

004003704.td-b3lyp_6-31+g(d).qchem.inp (generated)

004003704.td-b3lyp_6-31+g(d).gjf (generated)

004003704.td-b3lyp_6-31+g(d).firefly.inp (generated)

004003704.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004003704.mol 004003704.PUBCHEM 004003704.mol (via Jmol)
004003873.b3lyp_6-31g(d).inp

004003873.b3lyp_6-31g(d).qchem.inp (generated)

004003873.b3lyp_6-31g(d).gjf (generated)

004003873.b3lyp_6-31g(d).firefly.inp (generated)

004003873.b3lyp_6-31g(d).smash.inp (generated)

004003873.b3lyp_6-31g(d).nwchem.inp (generated) 004003873.b3lyp_6-31g(d).log.xz 004003873.td-b3lyp_6-31g+(d).inp 004003873.td-b3lyp_6-31g+(d).log.xz

004003873.td-b3lyp_6-31+g(d).qchem.inp (generated)

004003873.td-b3lyp_6-31+g(d).gjf (generated)

004003873.td-b3lyp_6-31+g(d).firefly.inp (generated)

004003873.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004003873.mol 004003873.PUBCHEM 004003873.mol (via Jmol)
004004068.b3lyp_6-31g(d).inp

004004068.b3lyp_6-31g(d).qchem.inp (generated)

004004068.b3lyp_6-31g(d).gjf (generated)

004004068.b3lyp_6-31g(d).firefly.inp (generated)

004004068.b3lyp_6-31g(d).smash.inp (generated)

004004068.b3lyp_6-31g(d).nwchem.inp (generated) 004004068.b3lyp_6-31g(d).log.xz 004004068.td-b3lyp_6-31g+(d).inp 004004068.td-b3lyp_6-31g+(d).log.xz

004004068.td-b3lyp_6-31+g(d).qchem.inp (generated)

004004068.td-b3lyp_6-31+g(d).gjf (generated)

004004068.td-b3lyp_6-31+g(d).firefly.inp (generated)

004004068.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004004068.mol 004004068.PUBCHEM 004004068.mol (via Jmol)
004004130.b3lyp_6-31g(d).inp

004004130.b3lyp_6-31g(d).qchem.inp (generated)

004004130.b3lyp_6-31g(d).gjf (generated)

004004130.b3lyp_6-31g(d).firefly.inp (generated)

004004130.b3lyp_6-31g(d).smash.inp (generated)

004004130.b3lyp_6-31g(d).nwchem.inp (generated) 004004130.b3lyp_6-31g(d).log.xz 004004130.td-b3lyp_6-31g+(d).inp 004004130.td-b3lyp_6-31g+(d).log.xz

004004130.td-b3lyp_6-31+g(d).qchem.inp (generated)

004004130.td-b3lyp_6-31+g(d).gjf (generated)

004004130.td-b3lyp_6-31+g(d).firefly.inp (generated)

004004130.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004004130.mol 004004130.PUBCHEM 004004130.mol (via Jmol)
004004202.b3lyp_6-31g(d).inp

004004202.b3lyp_6-31g(d).qchem.inp (generated)

004004202.b3lyp_6-31g(d).gjf (generated)

004004202.b3lyp_6-31g(d).firefly.inp (generated)

004004202.b3lyp_6-31g(d).smash.inp (generated)

004004202.b3lyp_6-31g(d).nwchem.inp (generated) 004004202.b3lyp_6-31g(d).log.xz 004004202.td-b3lyp_6-31g+(d).inp 004004202.td-b3lyp_6-31g+(d).log.xz

004004202.td-b3lyp_6-31+g(d).qchem.inp (generated)

004004202.td-b3lyp_6-31+g(d).gjf (generated)

004004202.td-b3lyp_6-31+g(d).firefly.inp (generated)

004004202.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004004202.mol 004004202.PUBCHEM 004004202.mol (via Jmol)
004004233.b3lyp_6-31g(d).inp

004004233.b3lyp_6-31g(d).qchem.inp (generated)

004004233.b3lyp_6-31g(d).gjf (generated)

004004233.b3lyp_6-31g(d).firefly.inp (generated)

004004233.b3lyp_6-31g(d).smash.inp (generated)

004004233.b3lyp_6-31g(d).nwchem.inp (generated) 004004233.b3lyp_6-31g(d).log.xz 004004233.mol 004004233.PUBCHEM 004004233.mol (via Jmol)
004004258.b3lyp_6-31g(d).inp

004004258.b3lyp_6-31g(d).qchem.inp (generated)

004004258.b3lyp_6-31g(d).gjf (generated)

004004258.b3lyp_6-31g(d).firefly.inp (generated)

004004258.b3lyp_6-31g(d).smash.inp (generated)

004004258.b3lyp_6-31g(d).nwchem.inp (generated) 004004258.b3lyp_6-31g(d).log.xz 004004258.td-b3lyp_6-31g+(d).inp 004004258.td-b3lyp_6-31g+(d).log.xz

004004258.td-b3lyp_6-31+g(d).qchem.inp (generated)

004004258.td-b3lyp_6-31+g(d).gjf (generated)

004004258.td-b3lyp_6-31+g(d).firefly.inp (generated)

004004258.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004004258.mol 004004258.PUBCHEM 004004258.mol (via Jmol)
004004260.b3lyp_6-31g(d).inp

004004260.b3lyp_6-31g(d).qchem.inp (generated)

004004260.b3lyp_6-31g(d).gjf (generated)

004004260.b3lyp_6-31g(d).firefly.inp (generated)

004004260.b3lyp_6-31g(d).smash.inp (generated)

004004260.b3lyp_6-31g(d).nwchem.inp (generated) 004004260.b3lyp_6-31g(d).log.xz 004004260.td-b3lyp_6-31g+(d).inp 004004260.td-b3lyp_6-31g+(d).log.xz

004004260.td-b3lyp_6-31+g(d).qchem.inp (generated)

004004260.td-b3lyp_6-31+g(d).gjf (generated)

004004260.td-b3lyp_6-31+g(d).firefly.inp (generated)

004004260.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004004260.mol 004004260.PUBCHEM 004004260.mol (via Jmol)
004004288.b3lyp_6-31g(d).inp

004004288.b3lyp_6-31g(d).qchem.inp (generated)

004004288.b3lyp_6-31g(d).gjf (generated)

004004288.b3lyp_6-31g(d).firefly.inp (generated)

004004288.b3lyp_6-31g(d).smash.inp (generated)

004004288.b3lyp_6-31g(d).nwchem.inp (generated) 004004288.b3lyp_6-31g(d).log.xz 004004288.td-b3lyp_6-31g+(d).inp 004004288.td-b3lyp_6-31g+(d).log.xz

004004288.td-b3lyp_6-31+g(d).qchem.inp (generated)

004004288.td-b3lyp_6-31+g(d).gjf (generated)

004004288.td-b3lyp_6-31+g(d).firefly.inp (generated)

004004288.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004004288.mol 004004288.PUBCHEM 004004288.mol (via Jmol)
004004290.b3lyp_6-31g(d).inp

004004290.b3lyp_6-31g(d).qchem.inp (generated)

004004290.b3lyp_6-31g(d).gjf (generated)

004004290.b3lyp_6-31g(d).firefly.inp (generated)

004004290.b3lyp_6-31g(d).smash.inp (generated)

004004290.b3lyp_6-31g(d).nwchem.inp (generated) 004004290.b3lyp_6-31g(d).log.xz 004004290.td-b3lyp_6-31g+(d).inp 004004290.td-b3lyp_6-31g+(d).log.xz

004004290.td-b3lyp_6-31+g(d).qchem.inp (generated)

004004290.td-b3lyp_6-31+g(d).gjf (generated)

004004290.td-b3lyp_6-31+g(d).firefly.inp (generated)

004004290.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004004290.mol 004004290.PUBCHEM 004004290.mol (via Jmol)
004004307.b3lyp_6-31g(d).inp

004004307.b3lyp_6-31g(d).qchem.inp (generated)

004004307.b3lyp_6-31g(d).gjf (generated)

004004307.b3lyp_6-31g(d).firefly.inp (generated)

004004307.b3lyp_6-31g(d).smash.inp (generated)

004004307.b3lyp_6-31g(d).nwchem.inp (generated) 004004307.b3lyp_6-31g(d).log.xz 004004307.mol 004004307.PUBCHEM 004004307.mol (via Jmol)
004004311.b3lyp_6-31g(d).inp

004004311.b3lyp_6-31g(d).qchem.inp (generated)

004004311.b3lyp_6-31g(d).gjf (generated)

004004311.b3lyp_6-31g(d).firefly.inp (generated)

004004311.b3lyp_6-31g(d).smash.inp (generated)

004004311.b3lyp_6-31g(d).nwchem.inp (generated) 004004311.b3lyp_6-31g(d).log.xz 004004311.mol 004004311.PUBCHEM 004004311.mol (via Jmol)
004004342.b3lyp_6-31g(d).inp

004004342.b3lyp_6-31g(d).qchem.inp (generated)

004004342.b3lyp_6-31g(d).gjf (generated)

004004342.b3lyp_6-31g(d).firefly.inp (generated)

004004342.b3lyp_6-31g(d).smash.inp (generated)

004004342.b3lyp_6-31g(d).nwchem.inp (generated) 004004342.b3lyp_6-31g(d).log.xz 004004342.td-b3lyp_6-31g+(d).inp 004004342.td-b3lyp_6-31g+(d).log.xz

004004342.td-b3lyp_6-31+g(d).qchem.inp (generated)

004004342.td-b3lyp_6-31+g(d).gjf (generated)

004004342.td-b3lyp_6-31+g(d).firefly.inp (generated)

004004342.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004004342.mol 004004342.PUBCHEM 004004342.mol (via Jmol)
004004411.b3lyp_6-31g(d).inp

004004411.b3lyp_6-31g(d).qchem.inp (generated)

004004411.b3lyp_6-31g(d).gjf (generated)

004004411.b3lyp_6-31g(d).firefly.inp (generated)

004004411.b3lyp_6-31g(d).smash.inp (generated)

004004411.b3lyp_6-31g(d).nwchem.inp (generated) 004004411.b3lyp_6-31g(d).log.xz 004004411.td-b3lyp_6-31g+(d).inp 004004411.td-b3lyp_6-31g+(d).log.xz

004004411.td-b3lyp_6-31+g(d).qchem.inp (generated)

004004411.td-b3lyp_6-31+g(d).gjf (generated)

004004411.td-b3lyp_6-31+g(d).firefly.inp (generated)

004004411.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004004411.mol 004004411.PUBCHEM 004004411.mol (via Jmol)
004004433.b3lyp_6-31g(d).inp

004004433.b3lyp_6-31g(d).qchem.inp (generated)

004004433.b3lyp_6-31g(d).gjf (generated)

004004433.b3lyp_6-31g(d).firefly.inp (generated)

004004433.b3lyp_6-31g(d).smash.inp (generated)

004004433.b3lyp_6-31g(d).nwchem.inp (generated) 004004433.b3lyp_6-31g(d).log.xz 004004433.td-b3lyp_6-31g+(d).inp 004004433.td-b3lyp_6-31g+(d).log.xz

004004433.td-b3lyp_6-31+g(d).qchem.inp (generated)

004004433.td-b3lyp_6-31+g(d).gjf (generated)

004004433.td-b3lyp_6-31+g(d).firefly.inp (generated)

004004433.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004004433.mol 004004433.PUBCHEM 004004433.mol (via Jmol)
004004435.b3lyp_6-31g(d).inp

004004435.b3lyp_6-31g(d).qchem.inp (generated)

004004435.b3lyp_6-31g(d).gjf (generated)

004004435.b3lyp_6-31g(d).firefly.inp (generated)

004004435.b3lyp_6-31g(d).smash.inp (generated)

004004435.b3lyp_6-31g(d).nwchem.inp (generated) 004004435.b3lyp_6-31g(d).log.xz 004004435.td-b3lyp_6-31g+(d).inp 004004435.td-b3lyp_6-31g+(d).log.xz

004004435.td-b3lyp_6-31+g(d).qchem.inp (generated)

004004435.td-b3lyp_6-31+g(d).gjf (generated)

004004435.td-b3lyp_6-31+g(d).firefly.inp (generated)

004004435.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004004435.mol 004004435.PUBCHEM 004004435.mol (via Jmol)
004004437.b3lyp_6-31g(d).inp

004004437.b3lyp_6-31g(d).qchem.inp (generated)

004004437.b3lyp_6-31g(d).gjf (generated)

004004437.b3lyp_6-31g(d).firefly.inp (generated)

004004437.b3lyp_6-31g(d).smash.inp (generated)

004004437.b3lyp_6-31g(d).nwchem.inp (generated) 004004437.b3lyp_6-31g(d).log.xz 004004437.td-b3lyp_6-31g+(d).inp 004004437.td-b3lyp_6-31g+(d).log.xz

004004437.td-b3lyp_6-31+g(d).qchem.inp (generated)

004004437.td-b3lyp_6-31+g(d).gjf (generated)

004004437.td-b3lyp_6-31+g(d).firefly.inp (generated)

004004437.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004004437.mol 004004437.PUBCHEM 004004437.mol (via Jmol)
004004510.b3lyp_6-31g(d).inp

004004510.b3lyp_6-31g(d).qchem.inp (generated)

004004510.b3lyp_6-31g(d).gjf (generated)

004004510.b3lyp_6-31g(d).firefly.inp (generated)

004004510.b3lyp_6-31g(d).smash.inp (generated)

004004510.b3lyp_6-31g(d).nwchem.inp (generated) 004004510.b3lyp_6-31g(d).log.xz 004004510.td-b3lyp_6-31g+(d).inp 004004510.td-b3lyp_6-31g+(d).log.xz

004004510.td-b3lyp_6-31+g(d).qchem.inp (generated)

004004510.td-b3lyp_6-31+g(d).gjf (generated)

004004510.td-b3lyp_6-31+g(d).firefly.inp (generated)

004004510.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004004510.mol 004004510.PUBCHEM 004004510.mol (via Jmol)
004004618.b3lyp_6-31g(d).inp

004004618.b3lyp_6-31g(d).qchem.inp (generated)

004004618.b3lyp_6-31g(d).gjf (generated)

004004618.b3lyp_6-31g(d).firefly.inp (generated)

004004618.b3lyp_6-31g(d).smash.inp (generated)

004004618.b3lyp_6-31g(d).nwchem.inp (generated) 004004618.b3lyp_6-31g(d).log.xz 004004618.mol 004004618.PUBCHEM 004004618.mol (via Jmol)
004004620.b3lyp_6-31g(d).inp

004004620.b3lyp_6-31g(d).qchem.inp (generated)

004004620.b3lyp_6-31g(d).gjf (generated)

004004620.b3lyp_6-31g(d).firefly.inp (generated)

004004620.b3lyp_6-31g(d).smash.inp (generated)

004004620.b3lyp_6-31g(d).nwchem.inp (generated) 004004620.b3lyp_6-31g(d).log.xz 004004620.mol 004004620.PUBCHEM 004004620.mol (via Jmol)
004004716.b3lyp_6-31g(d).inp

004004716.b3lyp_6-31g(d).qchem.inp (generated)

004004716.b3lyp_6-31g(d).gjf (generated)

004004716.b3lyp_6-31g(d).firefly.inp (generated)

004004716.b3lyp_6-31g(d).smash.inp (generated)

004004716.b3lyp_6-31g(d).nwchem.inp (generated) 004004716.b3lyp_6-31g(d).log.xz 004004716.mol 004004716.PUBCHEM 004004716.mol (via Jmol)
004004738.b3lyp_6-31g(d).inp

004004738.b3lyp_6-31g(d).qchem.inp (generated)

004004738.b3lyp_6-31g(d).gjf (generated)

004004738.b3lyp_6-31g(d).firefly.inp (generated)

004004738.b3lyp_6-31g(d).smash.inp (generated)

004004738.b3lyp_6-31g(d).nwchem.inp (generated) 004004738.b3lyp_6-31g(d).log.xz 004004738.td-b3lyp_6-31g+(d).inp 004004738.td-b3lyp_6-31g+(d).log.xz

004004738.td-b3lyp_6-31+g(d).qchem.inp (generated)

004004738.td-b3lyp_6-31+g(d).gjf (generated)

004004738.td-b3lyp_6-31+g(d).firefly.inp (generated)

004004738.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004004738.mol 004004738.PUBCHEM 004004738.mol (via Jmol)
004004899.b3lyp_6-31g(d).inp

004004899.b3lyp_6-31g(d).qchem.inp (generated)

004004899.b3lyp_6-31g(d).gjf (generated)

004004899.b3lyp_6-31g(d).firefly.inp (generated)

004004899.b3lyp_6-31g(d).smash.inp (generated)

004004899.b3lyp_6-31g(d).nwchem.inp (generated) 004004899.b3lyp_6-31g(d).log.xz 004004899.td-b3lyp_6-31g+(d).inp 004004899.td-b3lyp_6-31g+(d).log.xz

004004899.td-b3lyp_6-31+g(d).qchem.inp (generated)

004004899.td-b3lyp_6-31+g(d).gjf (generated)

004004899.td-b3lyp_6-31+g(d).firefly.inp (generated)

004004899.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004004899.mol 004004899.PUBCHEM 004004899.mol (via Jmol)
004004919.b3lyp_6-31g(d).inp

004004919.b3lyp_6-31g(d).qchem.inp (generated)

004004919.b3lyp_6-31g(d).gjf (generated)

004004919.b3lyp_6-31g(d).firefly.inp (generated)

004004919.b3lyp_6-31g(d).smash.inp (generated)

004004919.b3lyp_6-31g(d).nwchem.inp (generated) 004004919.b3lyp_6-31g(d).log.xz 004004919.td-b3lyp_6-31g+(d).inp 004004919.td-b3lyp_6-31g+(d).log.xz

004004919.td-b3lyp_6-31+g(d).qchem.inp (generated)

004004919.td-b3lyp_6-31+g(d).gjf (generated)

004004919.td-b3lyp_6-31+g(d).firefly.inp (generated)

004004919.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004004919.mol 004004919.PUBCHEM 004004919.mol (via Jmol)
004004944.b3lyp_6-31g(d).inp

004004944.b3lyp_6-31g(d).qchem.inp (generated)

004004944.b3lyp_6-31g(d).gjf (generated)

004004944.b3lyp_6-31g(d).firefly.inp (generated)

004004944.b3lyp_6-31g(d).smash.inp (generated)

004004944.b3lyp_6-31g(d).nwchem.inp (generated) 004004944.b3lyp_6-31g(d).log.xz 004004944.mol 004004944.PUBCHEM 004004944.mol (via Jmol)
004004950.b3lyp_6-31g(d).inp

004004950.b3lyp_6-31g(d).qchem.inp (generated)

004004950.b3lyp_6-31g(d).gjf (generated)

004004950.b3lyp_6-31g(d).firefly.inp (generated)

004004950.b3lyp_6-31g(d).smash.inp (generated)

004004950.b3lyp_6-31g(d).nwchem.inp (generated) 004004950.b3lyp_6-31g(d).log.xz 004004950.td-b3lyp_6-31g+(d).inp 004004950.td-b3lyp_6-31g+(d).log.xz

004004950.td-b3lyp_6-31+g(d).qchem.inp (generated)

004004950.td-b3lyp_6-31+g(d).gjf (generated)

004004950.td-b3lyp_6-31+g(d).firefly.inp (generated)

004004950.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004004950.mol 004004950.PUBCHEM 004004950.mol (via Jmol)
004004972.b3lyp_6-31g(d).inp

004004972.b3lyp_6-31g(d).qchem.inp (generated)

004004972.b3lyp_6-31g(d).gjf (generated)

004004972.b3lyp_6-31g(d).firefly.inp (generated)

004004972.b3lyp_6-31g(d).smash.inp (generated)

004004972.b3lyp_6-31g(d).nwchem.inp (generated) 004004972.b3lyp_6-31g(d).log.xz 004004972.td-b3lyp_6-31g+(d).inp 004004972.td-b3lyp_6-31g+(d).log.xz

004004972.td-b3lyp_6-31+g(d).qchem.inp (generated)

004004972.td-b3lyp_6-31+g(d).gjf (generated)

004004972.td-b3lyp_6-31+g(d).firefly.inp (generated)

004004972.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004004972.mol 004004972.PUBCHEM 004004972.mol (via Jmol)
004005244.b3lyp_6-31g(d).inp

004005244.b3lyp_6-31g(d).qchem.inp (generated)

004005244.b3lyp_6-31g(d).gjf (generated)

004005244.b3lyp_6-31g(d).firefly.inp (generated)

004005244.b3lyp_6-31g(d).smash.inp (generated)

004005244.b3lyp_6-31g(d).nwchem.inp (generated) 004005244.b3lyp_6-31g(d).log.xz 004005244.td-b3lyp_6-31g+(d).inp 004005244.td-b3lyp_6-31g+(d).log.xz

004005244.td-b3lyp_6-31+g(d).qchem.inp (generated)

004005244.td-b3lyp_6-31+g(d).gjf (generated)

004005244.td-b3lyp_6-31+g(d).firefly.inp (generated)

004005244.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004005244.mol 004005244.PUBCHEM 004005244.mol (via Jmol)
004005258.b3lyp_6-31g(d).inp

004005258.b3lyp_6-31g(d).qchem.inp (generated)

004005258.b3lyp_6-31g(d).gjf (generated)

004005258.b3lyp_6-31g(d).firefly.inp (generated)

004005258.b3lyp_6-31g(d).smash.inp (generated)

004005258.b3lyp_6-31g(d).nwchem.inp (generated) 004005258.b3lyp_6-31g(d).log.xz 004005258.td-b3lyp_6-31g+(d).inp 004005258.td-b3lyp_6-31g+(d).log.xz

004005258.td-b3lyp_6-31+g(d).qchem.inp (generated)

004005258.td-b3lyp_6-31+g(d).gjf (generated)

004005258.td-b3lyp_6-31+g(d).firefly.inp (generated)

004005258.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004005258.mol 004005258.PUBCHEM 004005258.mol (via Jmol)
004005292.b3lyp_6-31g(d).inp

004005292.b3lyp_6-31g(d).qchem.inp (generated)

004005292.b3lyp_6-31g(d).gjf (generated)

004005292.b3lyp_6-31g(d).firefly.inp (generated)

004005292.b3lyp_6-31g(d).smash.inp (generated)

004005292.b3lyp_6-31g(d).nwchem.inp (generated) 004005292.b3lyp_6-31g(d).log.xz 004005292.td-b3lyp_6-31g+(d).inp 004005292.td-b3lyp_6-31g+(d).log.xz

004005292.td-b3lyp_6-31+g(d).qchem.inp (generated)

004005292.td-b3lyp_6-31+g(d).gjf (generated)

004005292.td-b3lyp_6-31+g(d).firefly.inp (generated)

004005292.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004005292.mol 004005292.PUBCHEM 004005292.mol (via Jmol)
004005360.b3lyp_6-31g(d).inp

004005360.b3lyp_6-31g(d).qchem.inp (generated)

004005360.b3lyp_6-31g(d).gjf (generated)

004005360.b3lyp_6-31g(d).firefly.inp (generated)

004005360.b3lyp_6-31g(d).smash.inp (generated)

004005360.b3lyp_6-31g(d).nwchem.inp (generated) 004005360.b3lyp_6-31g(d).log.xz 004005360.mol 004005360.PUBCHEM 004005360.mol (via Jmol)
004005365.b3lyp_6-31g(d).inp

004005365.b3lyp_6-31g(d).qchem.inp (generated)

004005365.b3lyp_6-31g(d).gjf (generated)

004005365.b3lyp_6-31g(d).firefly.inp (generated)

004005365.b3lyp_6-31g(d).smash.inp (generated)

004005365.b3lyp_6-31g(d).nwchem.inp (generated) 004005365.b3lyp_6-31g(d).log.xz 004005365.td-b3lyp_6-31g+(d).inp 004005365.td-b3lyp_6-31g+(d).log.xz

004005365.td-b3lyp_6-31+g(d).qchem.inp (generated)

004005365.td-b3lyp_6-31+g(d).gjf (generated)

004005365.td-b3lyp_6-31+g(d).firefly.inp (generated)

004005365.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004005365.mol 004005365.PUBCHEM 004005365.mol (via Jmol)
004005388.b3lyp_6-31g(d).inp

004005388.b3lyp_6-31g(d).qchem.inp (generated)

004005388.b3lyp_6-31g(d).gjf (generated)

004005388.b3lyp_6-31g(d).firefly.inp (generated)

004005388.b3lyp_6-31g(d).smash.inp (generated)

004005388.b3lyp_6-31g(d).nwchem.inp (generated) 004005388.b3lyp_6-31g(d).log.xz 004005388.td-b3lyp_6-31g+(d).inp 004005388.td-b3lyp_6-31g+(d).log.xz

004005388.td-b3lyp_6-31+g(d).qchem.inp (generated)

004005388.td-b3lyp_6-31+g(d).gjf (generated)

004005388.td-b3lyp_6-31+g(d).firefly.inp (generated)

004005388.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004005388.mol 004005388.PUBCHEM 004005388.mol (via Jmol)
004005399.b3lyp_6-31g(d).inp

004005399.b3lyp_6-31g(d).qchem.inp (generated)

004005399.b3lyp_6-31g(d).gjf (generated)

004005399.b3lyp_6-31g(d).firefly.inp (generated)

004005399.b3lyp_6-31g(d).smash.inp (generated)

004005399.b3lyp_6-31g(d).nwchem.inp (generated) 004005399.b3lyp_6-31g(d).log.xz 004005399.td-b3lyp_6-31g+(d).inp 004005399.td-b3lyp_6-31g+(d).log.xz

004005399.td-b3lyp_6-31+g(d).qchem.inp (generated)

004005399.td-b3lyp_6-31+g(d).gjf (generated)

004005399.td-b3lyp_6-31+g(d).firefly.inp (generated)

004005399.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004005399.mol 004005399.PUBCHEM 004005399.mol (via Jmol)
004005404.b3lyp_6-31g(d).inp

004005404.b3lyp_6-31g(d).qchem.inp (generated)

004005404.b3lyp_6-31g(d).gjf (generated)

004005404.b3lyp_6-31g(d).firefly.inp (generated)

004005404.b3lyp_6-31g(d).smash.inp (generated)

004005404.b3lyp_6-31g(d).nwchem.inp (generated) 004005404.b3lyp_6-31g(d).log.xz 004005404.td-b3lyp_6-31g+(d).inp 004005404.td-b3lyp_6-31g+(d).log.xz

004005404.td-b3lyp_6-31+g(d).qchem.inp (generated)

004005404.td-b3lyp_6-31+g(d).gjf (generated)

004005404.td-b3lyp_6-31+g(d).firefly.inp (generated)

004005404.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004005404.mol 004005404.PUBCHEM 004005404.mol (via Jmol)
004005407.b3lyp_6-31g(d).inp

004005407.b3lyp_6-31g(d).qchem.inp (generated)

004005407.b3lyp_6-31g(d).gjf (generated)

004005407.b3lyp_6-31g(d).firefly.inp (generated)

004005407.b3lyp_6-31g(d).smash.inp (generated)

004005407.b3lyp_6-31g(d).nwchem.inp (generated) 004005407.b3lyp_6-31g(d).log.xz 004005407.td-b3lyp_6-31g+(d).inp 004005407.td-b3lyp_6-31g+(d).log.xz

004005407.td-b3lyp_6-31+g(d).qchem.inp (generated)

004005407.td-b3lyp_6-31+g(d).gjf (generated)

004005407.td-b3lyp_6-31+g(d).firefly.inp (generated)

004005407.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004005407.mol 004005407.PUBCHEM 004005407.mol (via Jmol)
004005646.b3lyp_6-31g(d).inp

004005646.b3lyp_6-31g(d).qchem.inp (generated)

004005646.b3lyp_6-31g(d).gjf (generated)

004005646.b3lyp_6-31g(d).firefly.inp (generated)

004005646.b3lyp_6-31g(d).smash.inp (generated)

004005646.b3lyp_6-31g(d).nwchem.inp (generated) 004005646.b3lyp_6-31g(d).log.xz 004005646.td-b3lyp_6-31g+(d).inp 004005646.td-b3lyp_6-31g+(d).log.xz

004005646.td-b3lyp_6-31+g(d).qchem.inp (generated)

004005646.td-b3lyp_6-31+g(d).gjf (generated)

004005646.td-b3lyp_6-31+g(d).firefly.inp (generated)

004005646.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004005646.mol 004005646.PUBCHEM 004005646.mol (via Jmol)
004005665.b3lyp_6-31g(d).inp

004005665.b3lyp_6-31g(d).qchem.inp (generated)

004005665.b3lyp_6-31g(d).gjf (generated)

004005665.b3lyp_6-31g(d).firefly.inp (generated)

004005665.b3lyp_6-31g(d).smash.inp (generated)

004005665.b3lyp_6-31g(d).nwchem.inp (generated) 004005665.b3lyp_6-31g(d).log.xz 004005665.td-b3lyp_6-31g+(d).inp 004005665.td-b3lyp_6-31g+(d).log.xz

004005665.td-b3lyp_6-31+g(d).qchem.inp (generated)

004005665.td-b3lyp_6-31+g(d).gjf (generated)

004005665.td-b3lyp_6-31+g(d).firefly.inp (generated)

004005665.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004005665.mol 004005665.PUBCHEM 004005665.mol (via Jmol)
004005694.b3lyp_6-31g(d).inp

004005694.b3lyp_6-31g(d).qchem.inp (generated)

004005694.b3lyp_6-31g(d).gjf (generated)

004005694.b3lyp_6-31g(d).firefly.inp (generated)

004005694.b3lyp_6-31g(d).smash.inp (generated)

004005694.b3lyp_6-31g(d).nwchem.inp (generated) 004005694.b3lyp_6-31g(d).log.xz 004005694.td-b3lyp_6-31g+(d).inp 004005694.td-b3lyp_6-31g+(d).log.xz

004005694.td-b3lyp_6-31+g(d).qchem.inp (generated)

004005694.td-b3lyp_6-31+g(d).gjf (generated)

004005694.td-b3lyp_6-31+g(d).firefly.inp (generated)

004005694.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004005694.mol 004005694.PUBCHEM 004005694.mol (via Jmol)
004005749.b3lyp_6-31g(d).inp

004005749.b3lyp_6-31g(d).qchem.inp (generated)

004005749.b3lyp_6-31g(d).gjf (generated)

004005749.b3lyp_6-31g(d).firefly.inp (generated)

004005749.b3lyp_6-31g(d).smash.inp (generated)

004005749.b3lyp_6-31g(d).nwchem.inp (generated) 004005749.b3lyp_6-31g(d).log.xz 004005749.td-b3lyp_6-31g+(d).inp 004005749.td-b3lyp_6-31g+(d).log.xz

004005749.td-b3lyp_6-31+g(d).qchem.inp (generated)

004005749.td-b3lyp_6-31+g(d).gjf (generated)

004005749.td-b3lyp_6-31+g(d).firefly.inp (generated)

004005749.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004005749.mol 004005749.PUBCHEM 004005749.mol (via Jmol)
004005756.b3lyp_6-31g(d).inp

004005756.b3lyp_6-31g(d).qchem.inp (generated)

004005756.b3lyp_6-31g(d).gjf (generated)

004005756.b3lyp_6-31g(d).firefly.inp (generated)

004005756.b3lyp_6-31g(d).smash.inp (generated)

004005756.b3lyp_6-31g(d).nwchem.inp (generated) 004005756.b3lyp_6-31g(d).log.xz 004005756.td-b3lyp_6-31g+(d).inp 004005756.td-b3lyp_6-31g+(d).log.xz

004005756.td-b3lyp_6-31+g(d).qchem.inp (generated)

004005756.td-b3lyp_6-31+g(d).gjf (generated)

004005756.td-b3lyp_6-31+g(d).firefly.inp (generated)

004005756.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004005756.mol 004005756.PUBCHEM 004005756.mol (via Jmol)
004005757.b3lyp_6-31g(d).inp

004005757.b3lyp_6-31g(d).qchem.inp (generated)

004005757.b3lyp_6-31g(d).gjf (generated)

004005757.b3lyp_6-31g(d).firefly.inp (generated)

004005757.b3lyp_6-31g(d).smash.inp (generated)

004005757.b3lyp_6-31g(d).nwchem.inp (generated) 004005757.b3lyp_6-31g(d).log.xz 004005757.td-b3lyp_6-31g+(d).inp 004005757.td-b3lyp_6-31g+(d).log.xz

004005757.td-b3lyp_6-31+g(d).qchem.inp (generated)

004005757.td-b3lyp_6-31+g(d).gjf (generated)

004005757.td-b3lyp_6-31+g(d).firefly.inp (generated)

004005757.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004005757.mol 004005757.PUBCHEM 004005757.mol (via Jmol)
004005811.b3lyp_6-31g(d).inp

004005811.b3lyp_6-31g(d).qchem.inp (generated)

004005811.b3lyp_6-31g(d).gjf (generated)

004005811.b3lyp_6-31g(d).firefly.inp (generated)

004005811.b3lyp_6-31g(d).smash.inp (generated)

004005811.b3lyp_6-31g(d).nwchem.inp (generated) 004005811.b3lyp_6-31g(d).log.xz 004005811.td-b3lyp_6-31g+(d).inp 004005811.td-b3lyp_6-31g+(d).log.xz

004005811.td-b3lyp_6-31+g(d).qchem.inp (generated)

004005811.td-b3lyp_6-31+g(d).gjf (generated)

004005811.td-b3lyp_6-31+g(d).firefly.inp (generated)

004005811.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004005811.mol 004005811.PUBCHEM 004005811.mol (via Jmol)
004005816.b3lyp_6-31g(d).inp

004005816.b3lyp_6-31g(d).qchem.inp (generated)

004005816.b3lyp_6-31g(d).gjf (generated)

004005816.b3lyp_6-31g(d).firefly.inp (generated)

004005816.b3lyp_6-31g(d).smash.inp (generated)

004005816.b3lyp_6-31g(d).nwchem.inp (generated) 004005816.b3lyp_6-31g(d).log.xz 004005816.td-b3lyp_6-31g+(d).inp 004005816.td-b3lyp_6-31g+(d).log.xz

004005816.td-b3lyp_6-31+g(d).qchem.inp (generated)

004005816.td-b3lyp_6-31+g(d).gjf (generated)

004005816.td-b3lyp_6-31+g(d).firefly.inp (generated)

004005816.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004005816.mol 004005816.PUBCHEM 004005816.mol (via Jmol)
004005827.b3lyp_6-31g(d).inp

004005827.b3lyp_6-31g(d).qchem.inp (generated)

004005827.b3lyp_6-31g(d).gjf (generated)

004005827.b3lyp_6-31g(d).firefly.inp (generated)

004005827.b3lyp_6-31g(d).smash.inp (generated)

004005827.b3lyp_6-31g(d).nwchem.inp (generated) 004005827.b3lyp_6-31g(d).log.xz 004005827.td-b3lyp_6-31g+(d).inp 004005827.td-b3lyp_6-31g+(d).log.xz

004005827.td-b3lyp_6-31+g(d).qchem.inp (generated)

004005827.td-b3lyp_6-31+g(d).gjf (generated)

004005827.td-b3lyp_6-31+g(d).firefly.inp (generated)

004005827.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004005827.mol 004005827.PUBCHEM 004005827.mol (via Jmol)
004005828.b3lyp_6-31g(d).inp

004005828.b3lyp_6-31g(d).qchem.inp (generated)

004005828.b3lyp_6-31g(d).gjf (generated)

004005828.b3lyp_6-31g(d).firefly.inp (generated)

004005828.b3lyp_6-31g(d).smash.inp (generated)

004005828.b3lyp_6-31g(d).nwchem.inp (generated) 004005828.b3lyp_6-31g(d).log.xz 004005828.td-b3lyp_6-31g+(d).inp 004005828.td-b3lyp_6-31g+(d).log.xz

004005828.td-b3lyp_6-31+g(d).qchem.inp (generated)

004005828.td-b3lyp_6-31+g(d).gjf (generated)

004005828.td-b3lyp_6-31+g(d).firefly.inp (generated)

004005828.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004005828.mol 004005828.PUBCHEM 004005828.mol (via Jmol)
004005832.b3lyp_6-31g(d).inp

004005832.b3lyp_6-31g(d).qchem.inp (generated)

004005832.b3lyp_6-31g(d).gjf (generated)

004005832.b3lyp_6-31g(d).firefly.inp (generated)

004005832.b3lyp_6-31g(d).smash.inp (generated)

004005832.b3lyp_6-31g(d).nwchem.inp (generated) 004005832.b3lyp_6-31g(d).log.xz 004005832.td-b3lyp_6-31g+(d).inp 004005832.td-b3lyp_6-31g+(d).log.xz

004005832.td-b3lyp_6-31+g(d).qchem.inp (generated)

004005832.td-b3lyp_6-31+g(d).gjf (generated)

004005832.td-b3lyp_6-31+g(d).firefly.inp (generated)

004005832.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004005832.mol 004005832.PUBCHEM 004005832.mol (via Jmol)
004005925.b3lyp_6-31g(d).inp

004005925.b3lyp_6-31g(d).qchem.inp (generated)

004005925.b3lyp_6-31g(d).gjf (generated)

004005925.b3lyp_6-31g(d).firefly.inp (generated)

004005925.b3lyp_6-31g(d).smash.inp (generated)

004005925.b3lyp_6-31g(d).nwchem.inp (generated) 004005925.b3lyp_6-31g(d).log.xz 004005925.td-b3lyp_6-31g+(d).inp 004005925.td-b3lyp_6-31g+(d).log.xz

004005925.td-b3lyp_6-31+g(d).qchem.inp (generated)

004005925.td-b3lyp_6-31+g(d).gjf (generated)

004005925.td-b3lyp_6-31+g(d).firefly.inp (generated)

004005925.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004005925.mol 004005925.PUBCHEM 004005925.mol (via Jmol)
004005951.b3lyp_6-31g(d).inp

004005951.b3lyp_6-31g(d).qchem.inp (generated)

004005951.b3lyp_6-31g(d).gjf (generated)

004005951.b3lyp_6-31g(d).firefly.inp (generated)

004005951.b3lyp_6-31g(d).smash.inp (generated)

004005951.b3lyp_6-31g(d).nwchem.inp (generated) 004005951.b3lyp_6-31g(d).log.xz 004005951.td-b3lyp_6-31g+(d).inp 004005951.td-b3lyp_6-31g+(d).log.xz

004005951.td-b3lyp_6-31+g(d).qchem.inp (generated)

004005951.td-b3lyp_6-31+g(d).gjf (generated)

004005951.td-b3lyp_6-31+g(d).firefly.inp (generated)

004005951.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004005951.mol 004005951.PUBCHEM 004005951.mol (via Jmol)
004006101.b3lyp_6-31g(d).inp

004006101.b3lyp_6-31g(d).qchem.inp (generated)

004006101.b3lyp_6-31g(d).gjf (generated)

004006101.b3lyp_6-31g(d).firefly.inp (generated)

004006101.b3lyp_6-31g(d).smash.inp (generated)

004006101.b3lyp_6-31g(d).nwchem.inp (generated) 004006101.b3lyp_6-31g(d).log.xz 004006101.mol 004006101.PUBCHEM 004006101.mol (via Jmol)
004006137.b3lyp_6-31g(d).inp

004006137.b3lyp_6-31g(d).qchem.inp (generated)

004006137.b3lyp_6-31g(d).gjf (generated)

004006137.b3lyp_6-31g(d).firefly.inp (generated)

004006137.b3lyp_6-31g(d).smash.inp (generated)

004006137.b3lyp_6-31g(d).nwchem.inp (generated) 004006137.b3lyp_6-31g(d).log.xz 004006137.td-b3lyp_6-31g+(d).inp 004006137.td-b3lyp_6-31g+(d).log.xz

004006137.td-b3lyp_6-31+g(d).qchem.inp (generated)

004006137.td-b3lyp_6-31+g(d).gjf (generated)

004006137.td-b3lyp_6-31+g(d).firefly.inp (generated)

004006137.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004006137.mol 004006137.PUBCHEM 004006137.mol (via Jmol)
004006184.b3lyp_6-31g(d).inp

004006184.b3lyp_6-31g(d).qchem.inp (generated)

004006184.b3lyp_6-31g(d).gjf (generated)

004006184.b3lyp_6-31g(d).firefly.inp (generated)

004006184.b3lyp_6-31g(d).smash.inp (generated)

004006184.b3lyp_6-31g(d).nwchem.inp (generated) 004006184.b3lyp_6-31g(d).log.xz 004006184.mol 004006184.PUBCHEM 004006184.mol (via Jmol)
004006394.b3lyp_6-31g(d).inp

004006394.b3lyp_6-31g(d).qchem.inp (generated)

004006394.b3lyp_6-31g(d).gjf (generated)

004006394.b3lyp_6-31g(d).firefly.inp (generated)

004006394.b3lyp_6-31g(d).smash.inp (generated)

004006394.b3lyp_6-31g(d).nwchem.inp (generated) 004006394.b3lyp_6-31g(d).log.xz 004006394.td-b3lyp_6-31g+(d).inp 004006394.td-b3lyp_6-31g+(d).log.xz

004006394.td-b3lyp_6-31+g(d).qchem.inp (generated)

004006394.td-b3lyp_6-31+g(d).gjf (generated)

004006394.td-b3lyp_6-31+g(d).firefly.inp (generated)

004006394.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004006394.mol 004006394.PUBCHEM 004006394.mol (via Jmol)
004006408.b3lyp_6-31g(d).inp

004006408.b3lyp_6-31g(d).qchem.inp (generated)

004006408.b3lyp_6-31g(d).gjf (generated)

004006408.b3lyp_6-31g(d).firefly.inp (generated)

004006408.b3lyp_6-31g(d).smash.inp (generated)

004006408.b3lyp_6-31g(d).nwchem.inp (generated) 004006408.b3lyp_6-31g(d).log.xz 004006408.td-b3lyp_6-31g+(d).inp 004006408.td-b3lyp_6-31g+(d).log.xz

004006408.td-b3lyp_6-31+g(d).qchem.inp (generated)

004006408.td-b3lyp_6-31+g(d).gjf (generated)

004006408.td-b3lyp_6-31+g(d).firefly.inp (generated)

004006408.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004006408.mol 004006408.PUBCHEM 004006408.mol (via Jmol)
004006409.b3lyp_6-31g(d).inp

004006409.b3lyp_6-31g(d).qchem.inp (generated)

004006409.b3lyp_6-31g(d).gjf (generated)

004006409.b3lyp_6-31g(d).firefly.inp (generated)

004006409.b3lyp_6-31g(d).smash.inp (generated)

004006409.b3lyp_6-31g(d).nwchem.inp (generated) 004006409.b3lyp_6-31g(d).log.xz 004006409.td-b3lyp_6-31g+(d).inp 004006409.td-b3lyp_6-31g+(d).log.xz

004006409.td-b3lyp_6-31+g(d).qchem.inp (generated)

004006409.td-b3lyp_6-31+g(d).gjf (generated)

004006409.td-b3lyp_6-31+g(d).firefly.inp (generated)

004006409.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004006409.mol 004006409.PUBCHEM 004006409.mol (via Jmol)
004006486.b3lyp_6-31g(d).inp

004006486.b3lyp_6-31g(d).qchem.inp (generated)

004006486.b3lyp_6-31g(d).gjf (generated)

004006486.b3lyp_6-31g(d).firefly.inp (generated)

004006486.b3lyp_6-31g(d).smash.inp (generated)

004006486.b3lyp_6-31g(d).nwchem.inp (generated) 004006486.b3lyp_6-31g(d).log.xz 004006486.td-b3lyp_6-31g+(d).inp 004006486.td-b3lyp_6-31g+(d).log.xz

004006486.td-b3lyp_6-31+g(d).qchem.inp (generated)

004006486.td-b3lyp_6-31+g(d).gjf (generated)

004006486.td-b3lyp_6-31+g(d).firefly.inp (generated)

004006486.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004006486.mol 004006486.PUBCHEM 004006486.mol (via Jmol)
004006527.b3lyp_6-31g(d).inp

004006527.b3lyp_6-31g(d).qchem.inp (generated)

004006527.b3lyp_6-31g(d).gjf (generated)

004006527.b3lyp_6-31g(d).firefly.inp (generated)

004006527.b3lyp_6-31g(d).smash.inp (generated)

004006527.b3lyp_6-31g(d).nwchem.inp (generated) 004006527.b3lyp_6-31g(d).log.xz 004006527.td-b3lyp_6-31g+(d).inp 004006527.td-b3lyp_6-31g+(d).log.xz

004006527.td-b3lyp_6-31+g(d).qchem.inp (generated)

004006527.td-b3lyp_6-31+g(d).gjf (generated)

004006527.td-b3lyp_6-31+g(d).firefly.inp (generated)

004006527.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004006527.mol 004006527.PUBCHEM 004006527.mol (via Jmol)
004006530.b3lyp_6-31g(d).inp

004006530.b3lyp_6-31g(d).qchem.inp (generated)

004006530.b3lyp_6-31g(d).gjf (generated)

004006530.b3lyp_6-31g(d).firefly.inp (generated)

004006530.b3lyp_6-31g(d).smash.inp (generated)

004006530.b3lyp_6-31g(d).nwchem.inp (generated) 004006530.b3lyp_6-31g(d).log.xz 004006530.td-b3lyp_6-31g+(d).inp 004006530.td-b3lyp_6-31g+(d).log.xz

004006530.td-b3lyp_6-31+g(d).qchem.inp (generated)

004006530.td-b3lyp_6-31+g(d).gjf (generated)

004006530.td-b3lyp_6-31+g(d).firefly.inp (generated)

004006530.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004006530.mol 004006530.PUBCHEM 004006530.mol (via Jmol)
004006534.b3lyp_6-31g(d).inp

004006534.b3lyp_6-31g(d).qchem.inp (generated)

004006534.b3lyp_6-31g(d).gjf (generated)

004006534.b3lyp_6-31g(d).firefly.inp (generated)

004006534.b3lyp_6-31g(d).smash.inp (generated)

004006534.b3lyp_6-31g(d).nwchem.inp (generated) 004006534.b3lyp_6-31g(d).log.xz 004006534.td-b3lyp_6-31g+(d).inp 004006534.td-b3lyp_6-31g+(d).log.xz

004006534.td-b3lyp_6-31+g(d).qchem.inp (generated)

004006534.td-b3lyp_6-31+g(d).gjf (generated)

004006534.td-b3lyp_6-31+g(d).firefly.inp (generated)

004006534.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004006534.mol 004006534.PUBCHEM 004006534.mol (via Jmol)
004006544.b3lyp_6-31g(d).inp

004006544.b3lyp_6-31g(d).qchem.inp (generated)

004006544.b3lyp_6-31g(d).gjf (generated)

004006544.b3lyp_6-31g(d).firefly.inp (generated)

004006544.b3lyp_6-31g(d).smash.inp (generated)

004006544.b3lyp_6-31g(d).nwchem.inp (generated) 004006544.b3lyp_6-31g(d).log.xz 004006544.td-b3lyp_6-31g+(d).inp 004006544.td-b3lyp_6-31g+(d).log.xz

004006544.td-b3lyp_6-31+g(d).qchem.inp (generated)

004006544.td-b3lyp_6-31+g(d).gjf (generated)

004006544.td-b3lyp_6-31+g(d).firefly.inp (generated)

004006544.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004006544.mol 004006544.PUBCHEM 004006544.mol (via Jmol)
004006656.b3lyp_6-31g(d).inp

004006656.b3lyp_6-31g(d).qchem.inp (generated)

004006656.b3lyp_6-31g(d).gjf (generated)

004006656.b3lyp_6-31g(d).firefly.inp (generated)

004006656.b3lyp_6-31g(d).smash.inp (generated)

004006656.b3lyp_6-31g(d).nwchem.inp (generated) 004006656.b3lyp_6-31g(d).log.xz 004006656.td-b3lyp_6-31g+(d).inp 004006656.td-b3lyp_6-31g+(d).log.xz

004006656.td-b3lyp_6-31+g(d).qchem.inp (generated)

004006656.td-b3lyp_6-31+g(d).gjf (generated)

004006656.td-b3lyp_6-31+g(d).firefly.inp (generated)

004006656.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004006656.mol 004006656.PUBCHEM 004006656.mol (via Jmol)
004006793.b3lyp_6-31g(d).inp

004006793.b3lyp_6-31g(d).qchem.inp (generated)

004006793.b3lyp_6-31g(d).gjf (generated)

004006793.b3lyp_6-31g(d).firefly.inp (generated)

004006793.b3lyp_6-31g(d).smash.inp (generated)

004006793.b3lyp_6-31g(d).nwchem.inp (generated) 004006793.b3lyp_6-31g(d).log.xz 004006793.td-b3lyp_6-31g+(d).inp 004006793.td-b3lyp_6-31g+(d).log.xz

004006793.td-b3lyp_6-31+g(d).qchem.inp (generated)

004006793.td-b3lyp_6-31+g(d).gjf (generated)

004006793.td-b3lyp_6-31+g(d).firefly.inp (generated)

004006793.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004006793.mol 004006793.PUBCHEM 004006793.mol (via Jmol)
004006862.b3lyp_6-31g(d).inp

004006862.b3lyp_6-31g(d).qchem.inp (generated)

004006862.b3lyp_6-31g(d).gjf (generated)

004006862.b3lyp_6-31g(d).firefly.inp (generated)

004006862.b3lyp_6-31g(d).smash.inp (generated)

004006862.b3lyp_6-31g(d).nwchem.inp (generated) 004006862.b3lyp_6-31g(d).log.xz 004006862.td-b3lyp_6-31g+(d).inp 004006862.td-b3lyp_6-31g+(d).log.xz

004006862.td-b3lyp_6-31+g(d).qchem.inp (generated)

004006862.td-b3lyp_6-31+g(d).gjf (generated)

004006862.td-b3lyp_6-31+g(d).firefly.inp (generated)

004006862.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004006862.mol 004006862.PUBCHEM 004006862.mol (via Jmol)
004006909.b3lyp_6-31g(d).inp

004006909.b3lyp_6-31g(d).qchem.inp (generated)

004006909.b3lyp_6-31g(d).gjf (generated)

004006909.b3lyp_6-31g(d).firefly.inp (generated)

004006909.b3lyp_6-31g(d).smash.inp (generated)

004006909.b3lyp_6-31g(d).nwchem.inp (generated) 004006909.b3lyp_6-31g(d).log.xz 004006909.td-b3lyp_6-31g+(d).inp 004006909.td-b3lyp_6-31g+(d).log.xz

004006909.td-b3lyp_6-31+g(d).qchem.inp (generated)

004006909.td-b3lyp_6-31+g(d).gjf (generated)

004006909.td-b3lyp_6-31+g(d).firefly.inp (generated)

004006909.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004006909.mol 004006909.PUBCHEM 004006909.mol (via Jmol)
004006948.b3lyp_6-31g(d).inp

004006948.b3lyp_6-31g(d).qchem.inp (generated)

004006948.b3lyp_6-31g(d).gjf (generated)

004006948.b3lyp_6-31g(d).firefly.inp (generated)

004006948.b3lyp_6-31g(d).smash.inp (generated)

004006948.b3lyp_6-31g(d).nwchem.inp (generated) 004006948.b3lyp_6-31g(d).log.xz 004006948.mol 004006948.PUBCHEM 004006948.mol (via Jmol)
004006968.b3lyp_6-31g(d).inp

004006968.b3lyp_6-31g(d).qchem.inp (generated)

004006968.b3lyp_6-31g(d).gjf (generated)

004006968.b3lyp_6-31g(d).firefly.inp (generated)

004006968.b3lyp_6-31g(d).smash.inp (generated)

004006968.b3lyp_6-31g(d).nwchem.inp (generated) 004006968.b3lyp_6-31g(d).log.xz 004006968.mol 004006968.PUBCHEM 004006968.mol (via Jmol)
004006970.b3lyp_6-31g(d).inp

004006970.b3lyp_6-31g(d).qchem.inp (generated)

004006970.b3lyp_6-31g(d).gjf (generated)

004006970.b3lyp_6-31g(d).firefly.inp (generated)

004006970.b3lyp_6-31g(d).smash.inp (generated)

004006970.b3lyp_6-31g(d).nwchem.inp (generated) 004006970.b3lyp_6-31g(d).log.xz 004006970.td-b3lyp_6-31g+(d).inp 004006970.td-b3lyp_6-31g+(d).log.xz

004006970.td-b3lyp_6-31+g(d).qchem.inp (generated)

004006970.td-b3lyp_6-31+g(d).gjf (generated)

004006970.td-b3lyp_6-31+g(d).firefly.inp (generated)

004006970.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004006970.mol 004006970.PUBCHEM 004006970.mol (via Jmol)
004007022.b3lyp_6-31g(d).inp

004007022.b3lyp_6-31g(d).qchem.inp (generated)

004007022.b3lyp_6-31g(d).gjf (generated)

004007022.b3lyp_6-31g(d).firefly.inp (generated)

004007022.b3lyp_6-31g(d).smash.inp (generated)

004007022.b3lyp_6-31g(d).nwchem.inp (generated) 004007022.b3lyp_6-31g(d).log.xz 004007022.td-b3lyp_6-31g+(d).inp 004007022.td-b3lyp_6-31g+(d).log.xz

004007022.td-b3lyp_6-31+g(d).qchem.inp (generated)

004007022.td-b3lyp_6-31+g(d).gjf (generated)

004007022.td-b3lyp_6-31+g(d).firefly.inp (generated)

004007022.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004007022.mol 004007022.PUBCHEM 004007022.mol (via Jmol)
004007063.b3lyp_6-31g(d).inp

004007063.b3lyp_6-31g(d).qchem.inp (generated)

004007063.b3lyp_6-31g(d).gjf (generated)

004007063.b3lyp_6-31g(d).firefly.inp (generated)

004007063.b3lyp_6-31g(d).smash.inp (generated)

004007063.b3lyp_6-31g(d).nwchem.inp (generated) 004007063.b3lyp_6-31g(d).log.xz 004007063.td-b3lyp_6-31g+(d).inp 004007063.td-b3lyp_6-31g+(d).log.xz

004007063.td-b3lyp_6-31+g(d).qchem.inp (generated)

004007063.td-b3lyp_6-31+g(d).gjf (generated)

004007063.td-b3lyp_6-31+g(d).firefly.inp (generated)

004007063.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004007063.mol 004007063.PUBCHEM 004007063.mol (via Jmol)
004007146.b3lyp_6-31g(d).inp

004007146.b3lyp_6-31g(d).qchem.inp (generated)

004007146.b3lyp_6-31g(d).gjf (generated)

004007146.b3lyp_6-31g(d).firefly.inp (generated)

004007146.b3lyp_6-31g(d).smash.inp (generated)

004007146.b3lyp_6-31g(d).nwchem.inp (generated) 004007146.b3lyp_6-31g(d).log.xz 004007146.td-b3lyp_6-31g+(d).inp 004007146.td-b3lyp_6-31g+(d).log.xz

004007146.td-b3lyp_6-31+g(d).qchem.inp (generated)

004007146.td-b3lyp_6-31+g(d).gjf (generated)

004007146.td-b3lyp_6-31+g(d).firefly.inp (generated)

004007146.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004007146.mol 004007146.PUBCHEM 004007146.mol (via Jmol)
004007280.b3lyp_6-31g(d).inp

004007280.b3lyp_6-31g(d).qchem.inp (generated)

004007280.b3lyp_6-31g(d).gjf (generated)

004007280.b3lyp_6-31g(d).firefly.inp (generated)

004007280.b3lyp_6-31g(d).smash.inp (generated)

004007280.b3lyp_6-31g(d).nwchem.inp (generated) 004007280.b3lyp_6-31g(d).log.xz 004007280.td-b3lyp_6-31g+(d).inp 004007280.td-b3lyp_6-31g+(d).log.xz

004007280.td-b3lyp_6-31+g(d).qchem.inp (generated)

004007280.td-b3lyp_6-31+g(d).gjf (generated)

004007280.td-b3lyp_6-31+g(d).firefly.inp (generated)

004007280.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004007280.mol 004007280.PUBCHEM 004007280.mol (via Jmol)
004007383.b3lyp_6-31g(d).inp

004007383.b3lyp_6-31g(d).qchem.inp (generated)

004007383.b3lyp_6-31g(d).gjf (generated)

004007383.b3lyp_6-31g(d).firefly.inp (generated)

004007383.b3lyp_6-31g(d).smash.inp (generated)

004007383.b3lyp_6-31g(d).nwchem.inp (generated) 004007383.b3lyp_6-31g(d).log.xz 004007383.td-b3lyp_6-31g+(d).inp 004007383.td-b3lyp_6-31g+(d).log.xz

004007383.td-b3lyp_6-31+g(d).qchem.inp (generated)

004007383.td-b3lyp_6-31+g(d).gjf (generated)

004007383.td-b3lyp_6-31+g(d).firefly.inp (generated)

004007383.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004007383.mol 004007383.PUBCHEM 004007383.mol (via Jmol)
004007480.b3lyp_6-31g(d).inp

004007480.b3lyp_6-31g(d).qchem.inp (generated)

004007480.b3lyp_6-31g(d).gjf (generated)

004007480.b3lyp_6-31g(d).firefly.inp (generated)

004007480.b3lyp_6-31g(d).smash.inp (generated)

004007480.b3lyp_6-31g(d).nwchem.inp (generated) 004007480.b3lyp_6-31g(d).log.xz 004007480.td-b3lyp_6-31g+(d).inp 004007480.td-b3lyp_6-31g+(d).log.xz

004007480.td-b3lyp_6-31+g(d).qchem.inp (generated)

004007480.td-b3lyp_6-31+g(d).gjf (generated)

004007480.td-b3lyp_6-31+g(d).firefly.inp (generated)

004007480.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004007480.mol 004007480.PUBCHEM 004007480.mol (via Jmol)
004007482.b3lyp_6-31g(d).inp

004007482.b3lyp_6-31g(d).qchem.inp (generated)

004007482.b3lyp_6-31g(d).gjf (generated)

004007482.b3lyp_6-31g(d).firefly.inp (generated)

004007482.b3lyp_6-31g(d).smash.inp (generated)

004007482.b3lyp_6-31g(d).nwchem.inp (generated) 004007482.b3lyp_6-31g(d).log.xz 004007482.td-b3lyp_6-31g+(d).inp 004007482.td-b3lyp_6-31g+(d).log.xz

004007482.td-b3lyp_6-31+g(d).qchem.inp (generated)

004007482.td-b3lyp_6-31+g(d).gjf (generated)

004007482.td-b3lyp_6-31+g(d).firefly.inp (generated)

004007482.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004007482.mol 004007482.PUBCHEM 004007482.mol (via Jmol)
004007563.b3lyp_6-31g(d).inp

004007563.b3lyp_6-31g(d).qchem.inp (generated)

004007563.b3lyp_6-31g(d).gjf (generated)

004007563.b3lyp_6-31g(d).firefly.inp (generated)

004007563.b3lyp_6-31g(d).smash.inp (generated)

004007563.b3lyp_6-31g(d).nwchem.inp (generated) 004007563.b3lyp_6-31g(d).log.xz 004007563.td-b3lyp_6-31g+(d).inp 004007563.td-b3lyp_6-31g+(d).log.xz

004007563.td-b3lyp_6-31+g(d).qchem.inp (generated)

004007563.td-b3lyp_6-31+g(d).gjf (generated)

004007563.td-b3lyp_6-31+g(d).firefly.inp (generated)

004007563.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004007563.mol 004007563.PUBCHEM 004007563.mol (via Jmol)
004007589.b3lyp_6-31g(d).inp

004007589.b3lyp_6-31g(d).qchem.inp (generated)

004007589.b3lyp_6-31g(d).gjf (generated)

004007589.b3lyp_6-31g(d).firefly.inp (generated)

004007589.b3lyp_6-31g(d).smash.inp (generated)

004007589.b3lyp_6-31g(d).nwchem.inp (generated) 004007589.b3lyp_6-31g(d).log.xz 004007589.td-b3lyp_6-31g+(d).inp 004007589.td-b3lyp_6-31g+(d).log.xz

004007589.td-b3lyp_6-31+g(d).qchem.inp (generated)

004007589.td-b3lyp_6-31+g(d).gjf (generated)

004007589.td-b3lyp_6-31+g(d).firefly.inp (generated)

004007589.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004007589.mol 004007589.PUBCHEM 004007589.mol (via Jmol)
004007632.b3lyp_6-31g(d).inp

004007632.b3lyp_6-31g(d).qchem.inp (generated)

004007632.b3lyp_6-31g(d).gjf (generated)

004007632.b3lyp_6-31g(d).firefly.inp (generated)

004007632.b3lyp_6-31g(d).smash.inp (generated)

004007632.b3lyp_6-31g(d).nwchem.inp (generated) 004007632.b3lyp_6-31g(d).log.xz 004007632.td-b3lyp_6-31g+(d).inp 004007632.td-b3lyp_6-31g+(d).log.xz

004007632.td-b3lyp_6-31+g(d).qchem.inp (generated)

004007632.td-b3lyp_6-31+g(d).gjf (generated)

004007632.td-b3lyp_6-31+g(d).firefly.inp (generated)

004007632.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004007632.mol 004007632.PUBCHEM 004007632.mol (via Jmol)
004008219.b3lyp_6-31g(d).inp

004008219.b3lyp_6-31g(d).qchem.inp (generated)

004008219.b3lyp_6-31g(d).gjf (generated)

004008219.b3lyp_6-31g(d).firefly.inp (generated)

004008219.b3lyp_6-31g(d).smash.inp (generated)

004008219.b3lyp_6-31g(d).nwchem.inp (generated) 004008219.b3lyp_6-31g(d).log.xz 004008219.td-b3lyp_6-31g+(d).inp 004008219.td-b3lyp_6-31g+(d).log.xz

004008219.td-b3lyp_6-31+g(d).qchem.inp (generated)

004008219.td-b3lyp_6-31+g(d).gjf (generated)

004008219.td-b3lyp_6-31+g(d).firefly.inp (generated)

004008219.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004008219.mol 004008219.PUBCHEM 004008219.mol (via Jmol)
004008317.b3lyp_6-31g(d).inp

004008317.b3lyp_6-31g(d).qchem.inp (generated)

004008317.b3lyp_6-31g(d).gjf (generated)

004008317.b3lyp_6-31g(d).firefly.inp (generated)

004008317.b3lyp_6-31g(d).smash.inp (generated)

004008317.b3lyp_6-31g(d).nwchem.inp (generated) 004008317.b3lyp_6-31g(d).log.xz 004008317.td-b3lyp_6-31g+(d).inp 004008317.td-b3lyp_6-31g+(d).log.xz

004008317.td-b3lyp_6-31+g(d).qchem.inp (generated)

004008317.td-b3lyp_6-31+g(d).gjf (generated)

004008317.td-b3lyp_6-31+g(d).firefly.inp (generated)

004008317.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004008317.mol 004008317.PUBCHEM 004008317.mol (via Jmol)
004008334.b3lyp_6-31g(d).inp

004008334.b3lyp_6-31g(d).qchem.inp (generated)

004008334.b3lyp_6-31g(d).gjf (generated)

004008334.b3lyp_6-31g(d).firefly.inp (generated)

004008334.b3lyp_6-31g(d).smash.inp (generated)

004008334.b3lyp_6-31g(d).nwchem.inp (generated) 004008334.b3lyp_6-31g(d).log.xz 004008334.td-b3lyp_6-31g+(d).inp 004008334.td-b3lyp_6-31g+(d).log.xz

004008334.td-b3lyp_6-31+g(d).qchem.inp (generated)

004008334.td-b3lyp_6-31+g(d).gjf (generated)

004008334.td-b3lyp_6-31+g(d).firefly.inp (generated)

004008334.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004008334.mol 004008334.PUBCHEM 004008334.mol (via Jmol)
004008339.b3lyp_6-31g(d).inp

004008339.b3lyp_6-31g(d).qchem.inp (generated)

004008339.b3lyp_6-31g(d).gjf (generated)

004008339.b3lyp_6-31g(d).firefly.inp (generated)

004008339.b3lyp_6-31g(d).smash.inp (generated)

004008339.b3lyp_6-31g(d).nwchem.inp (generated) 004008339.b3lyp_6-31g(d).log.xz 004008339.td-b3lyp_6-31g+(d).inp 004008339.td-b3lyp_6-31g+(d).log.xz

004008339.td-b3lyp_6-31+g(d).qchem.inp (generated)

004008339.td-b3lyp_6-31+g(d).gjf (generated)

004008339.td-b3lyp_6-31+g(d).firefly.inp (generated)

004008339.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004008339.mol 004008339.PUBCHEM 004008339.mol (via Jmol)
004008359.b3lyp_6-31g(d).inp

004008359.b3lyp_6-31g(d).qchem.inp (generated)

004008359.b3lyp_6-31g(d).gjf (generated)

004008359.b3lyp_6-31g(d).firefly.inp (generated)

004008359.b3lyp_6-31g(d).smash.inp (generated)

004008359.b3lyp_6-31g(d).nwchem.inp (generated) 004008359.b3lyp_6-31g(d).log.xz 004008359.td-b3lyp_6-31g+(d).inp 004008359.td-b3lyp_6-31g+(d).log.xz

004008359.td-b3lyp_6-31+g(d).qchem.inp (generated)

004008359.td-b3lyp_6-31+g(d).gjf (generated)

004008359.td-b3lyp_6-31+g(d).firefly.inp (generated)

004008359.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004008359.mol 004008359.PUBCHEM 004008359.mol (via Jmol)
004008361.b3lyp_6-31g(d).inp

004008361.b3lyp_6-31g(d).qchem.inp (generated)

004008361.b3lyp_6-31g(d).gjf (generated)

004008361.b3lyp_6-31g(d).firefly.inp (generated)

004008361.b3lyp_6-31g(d).smash.inp (generated)

004008361.b3lyp_6-31g(d).nwchem.inp (generated) 004008361.b3lyp_6-31g(d).log.xz 004008361.td-b3lyp_6-31g+(d).inp 004008361.td-b3lyp_6-31g+(d).log.xz

004008361.td-b3lyp_6-31+g(d).qchem.inp (generated)

004008361.td-b3lyp_6-31+g(d).gjf (generated)

004008361.td-b3lyp_6-31+g(d).firefly.inp (generated)

004008361.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004008361.mol 004008361.PUBCHEM 004008361.mol (via Jmol)
004008367.b3lyp_6-31g(d).inp

004008367.b3lyp_6-31g(d).qchem.inp (generated)

004008367.b3lyp_6-31g(d).gjf (generated)

004008367.b3lyp_6-31g(d).firefly.inp (generated)

004008367.b3lyp_6-31g(d).smash.inp (generated)

004008367.b3lyp_6-31g(d).nwchem.inp (generated) 004008367.b3lyp_6-31g(d).log.xz 004008367.td-b3lyp_6-31g+(d).inp 004008367.td-b3lyp_6-31g+(d).log.xz

004008367.td-b3lyp_6-31+g(d).qchem.inp (generated)

004008367.td-b3lyp_6-31+g(d).gjf (generated)

004008367.td-b3lyp_6-31+g(d).firefly.inp (generated)

004008367.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004008367.mol 004008367.PUBCHEM 004008367.mol (via Jmol)
004008423.b3lyp_6-31g(d).inp

004008423.b3lyp_6-31g(d).qchem.inp (generated)

004008423.b3lyp_6-31g(d).gjf (generated)

004008423.b3lyp_6-31g(d).firefly.inp (generated)

004008423.b3lyp_6-31g(d).smash.inp (generated)

004008423.b3lyp_6-31g(d).nwchem.inp (generated) 004008423.b3lyp_6-31g(d).log.xz 004008423.td-b3lyp_6-31g+(d).inp 004008423.td-b3lyp_6-31g+(d).log.xz

004008423.td-b3lyp_6-31+g(d).qchem.inp (generated)

004008423.td-b3lyp_6-31+g(d).gjf (generated)

004008423.td-b3lyp_6-31+g(d).firefly.inp (generated)

004008423.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004008423.mol 004008423.PUBCHEM 004008423.mol (via Jmol)
004008424.b3lyp_6-31g(d).inp

004008424.b3lyp_6-31g(d).qchem.inp (generated)

004008424.b3lyp_6-31g(d).gjf (generated)

004008424.b3lyp_6-31g(d).firefly.inp (generated)

004008424.b3lyp_6-31g(d).smash.inp (generated)

004008424.b3lyp_6-31g(d).nwchem.inp (generated) 004008424.b3lyp_6-31g(d).log.xz 004008424.td-b3lyp_6-31g+(d).inp 004008424.td-b3lyp_6-31g+(d).log.xz

004008424.td-b3lyp_6-31+g(d).qchem.inp (generated)

004008424.td-b3lyp_6-31+g(d).gjf (generated)

004008424.td-b3lyp_6-31+g(d).firefly.inp (generated)

004008424.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004008424.mol 004008424.PUBCHEM 004008424.mol (via Jmol)
004008430.b3lyp_6-31g(d).inp

004008430.b3lyp_6-31g(d).qchem.inp (generated)

004008430.b3lyp_6-31g(d).gjf (generated)

004008430.b3lyp_6-31g(d).firefly.inp (generated)

004008430.b3lyp_6-31g(d).smash.inp (generated)

004008430.b3lyp_6-31g(d).nwchem.inp (generated) 004008430.b3lyp_6-31g(d).log.xz 004008430.td-b3lyp_6-31g+(d).inp 004008430.td-b3lyp_6-31g+(d).log.xz

004008430.td-b3lyp_6-31+g(d).qchem.inp (generated)

004008430.td-b3lyp_6-31+g(d).gjf (generated)

004008430.td-b3lyp_6-31+g(d).firefly.inp (generated)

004008430.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004008430.mol 004008430.PUBCHEM 004008430.mol (via Jmol)
004008497.b3lyp_6-31g(d).inp

004008497.b3lyp_6-31g(d).qchem.inp (generated)

004008497.b3lyp_6-31g(d).gjf (generated)

004008497.b3lyp_6-31g(d).firefly.inp (generated)

004008497.b3lyp_6-31g(d).smash.inp (generated)

004008497.b3lyp_6-31g(d).nwchem.inp (generated) 004008497.b3lyp_6-31g(d).log.xz 004008497.td-b3lyp_6-31g+(d).inp 004008497.td-b3lyp_6-31g+(d).log.xz

004008497.td-b3lyp_6-31+g(d).qchem.inp (generated)

004008497.td-b3lyp_6-31+g(d).gjf (generated)

004008497.td-b3lyp_6-31+g(d).firefly.inp (generated)

004008497.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004008497.mol 004008497.PUBCHEM 004008497.mol (via Jmol)
004008594.b3lyp_6-31g(d).inp

004008594.b3lyp_6-31g(d).qchem.inp (generated)

004008594.b3lyp_6-31g(d).gjf (generated)

004008594.b3lyp_6-31g(d).firefly.inp (generated)

004008594.b3lyp_6-31g(d).smash.inp (generated)

004008594.b3lyp_6-31g(d).nwchem.inp (generated) 004008594.b3lyp_6-31g(d).log.xz 004008594.td-b3lyp_6-31g+(d).inp 004008594.td-b3lyp_6-31g+(d).log.xz

004008594.td-b3lyp_6-31+g(d).qchem.inp (generated)

004008594.td-b3lyp_6-31+g(d).gjf (generated)

004008594.td-b3lyp_6-31+g(d).firefly.inp (generated)

004008594.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004008594.mol 004008594.PUBCHEM 004008594.mol (via Jmol)
004008649.b3lyp_6-31g(d).inp

004008649.b3lyp_6-31g(d).qchem.inp (generated)

004008649.b3lyp_6-31g(d).gjf (generated)

004008649.b3lyp_6-31g(d).firefly.inp (generated)

004008649.b3lyp_6-31g(d).smash.inp (generated)

004008649.b3lyp_6-31g(d).nwchem.inp (generated) 004008649.b3lyp_6-31g(d).log.xz 004008649.td-b3lyp_6-31g+(d).inp 004008649.td-b3lyp_6-31g+(d).log.xz

004008649.td-b3lyp_6-31+g(d).qchem.inp (generated)

004008649.td-b3lyp_6-31+g(d).gjf (generated)

004008649.td-b3lyp_6-31+g(d).firefly.inp (generated)

004008649.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004008649.mol 004008649.PUBCHEM 004008649.mol (via Jmol)
004008737.b3lyp_6-31g(d).inp

004008737.b3lyp_6-31g(d).qchem.inp (generated)

004008737.b3lyp_6-31g(d).gjf (generated)

004008737.b3lyp_6-31g(d).firefly.inp (generated)

004008737.b3lyp_6-31g(d).smash.inp (generated)

004008737.b3lyp_6-31g(d).nwchem.inp (generated) 004008737.b3lyp_6-31g(d).log.xz 004008737.mol 004008737.PUBCHEM 004008737.mol (via Jmol)
004008756.b3lyp_6-31g(d).inp

004008756.b3lyp_6-31g(d).qchem.inp (generated)

004008756.b3lyp_6-31g(d).gjf (generated)

004008756.b3lyp_6-31g(d).firefly.inp (generated)

004008756.b3lyp_6-31g(d).smash.inp (generated)

004008756.b3lyp_6-31g(d).nwchem.inp (generated) 004008756.b3lyp_6-31g(d).log.xz 004008756.td-b3lyp_6-31g+(d).inp 004008756.td-b3lyp_6-31g+(d).log.xz

004008756.td-b3lyp_6-31+g(d).qchem.inp (generated)

004008756.td-b3lyp_6-31+g(d).gjf (generated)

004008756.td-b3lyp_6-31+g(d).firefly.inp (generated)

004008756.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004008756.mol 004008756.PUBCHEM 004008756.mol (via Jmol)
004008886.b3lyp_6-31g(d).inp

004008886.b3lyp_6-31g(d).qchem.inp (generated)

004008886.b3lyp_6-31g(d).gjf (generated)

004008886.b3lyp_6-31g(d).firefly.inp (generated)

004008886.b3lyp_6-31g(d).smash.inp (generated)

004008886.b3lyp_6-31g(d).nwchem.inp (generated) 004008886.b3lyp_6-31g(d).log.xz 004008886.td-b3lyp_6-31g+(d).inp 004008886.td-b3lyp_6-31g+(d).log.xz

004008886.td-b3lyp_6-31+g(d).qchem.inp (generated)

004008886.td-b3lyp_6-31+g(d).gjf (generated)

004008886.td-b3lyp_6-31+g(d).firefly.inp (generated)

004008886.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004008886.mol 004008886.PUBCHEM 004008886.mol (via Jmol)
004008890.b3lyp_6-31g(d).inp

004008890.b3lyp_6-31g(d).qchem.inp (generated)

004008890.b3lyp_6-31g(d).gjf (generated)

004008890.b3lyp_6-31g(d).firefly.inp (generated)

004008890.b3lyp_6-31g(d).smash.inp (generated)

004008890.b3lyp_6-31g(d).nwchem.inp (generated) 004008890.b3lyp_6-31g(d).log.xz 004008890.mol 004008890.PUBCHEM 004008890.mol (via Jmol)
004008955.b3lyp_6-31g(d).inp

004008955.b3lyp_6-31g(d).qchem.inp (generated)

004008955.b3lyp_6-31g(d).gjf (generated)

004008955.b3lyp_6-31g(d).firefly.inp (generated)

004008955.b3lyp_6-31g(d).smash.inp (generated)

004008955.b3lyp_6-31g(d).nwchem.inp (generated) 004008955.b3lyp_6-31g(d).log.xz 004008955.td-b3lyp_6-31g+(d).inp 004008955.td-b3lyp_6-31g+(d).log.xz

004008955.td-b3lyp_6-31+g(d).qchem.inp (generated)

004008955.td-b3lyp_6-31+g(d).gjf (generated)

004008955.td-b3lyp_6-31+g(d).firefly.inp (generated)

004008955.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004008955.mol 004008955.PUBCHEM 004008955.mol (via Jmol)
004009117.b3lyp_6-31g(d).inp

004009117.b3lyp_6-31g(d).qchem.inp (generated)

004009117.b3lyp_6-31g(d).gjf (generated)

004009117.b3lyp_6-31g(d).firefly.inp (generated)

004009117.b3lyp_6-31g(d).smash.inp (generated)

004009117.b3lyp_6-31g(d).nwchem.inp (generated) 004009117.b3lyp_6-31g(d).log.xz 004009117.td-b3lyp_6-31g+(d).inp 004009117.td-b3lyp_6-31g+(d).log.xz

004009117.td-b3lyp_6-31+g(d).qchem.inp (generated)

004009117.td-b3lyp_6-31+g(d).gjf (generated)

004009117.td-b3lyp_6-31+g(d).firefly.inp (generated)

004009117.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004009117.mol 004009117.PUBCHEM 004009117.mol (via Jmol)
004009127.b3lyp_6-31g(d).inp

004009127.b3lyp_6-31g(d).qchem.inp (generated)

004009127.b3lyp_6-31g(d).gjf (generated)

004009127.b3lyp_6-31g(d).firefly.inp (generated)

004009127.b3lyp_6-31g(d).smash.inp (generated)

004009127.b3lyp_6-31g(d).nwchem.inp (generated) 004009127.b3lyp_6-31g(d).log.xz 004009127.mol 004009127.PUBCHEM 004009127.mol (via Jmol)
004009153.b3lyp_6-31g(d).inp

004009153.b3lyp_6-31g(d).qchem.inp (generated)

004009153.b3lyp_6-31g(d).gjf (generated)

004009153.b3lyp_6-31g(d).firefly.inp (generated)

004009153.b3lyp_6-31g(d).smash.inp (generated)

004009153.b3lyp_6-31g(d).nwchem.inp (generated) 004009153.b3lyp_6-31g(d).log.xz 004009153.td-b3lyp_6-31g+(d).inp 004009153.td-b3lyp_6-31g+(d).log.xz

004009153.td-b3lyp_6-31+g(d).qchem.inp (generated)

004009153.td-b3lyp_6-31+g(d).gjf (generated)

004009153.td-b3lyp_6-31+g(d).firefly.inp (generated)

004009153.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004009153.mol 004009153.PUBCHEM 004009153.mol (via Jmol)
004009169.b3lyp_6-31g(d).inp

004009169.b3lyp_6-31g(d).qchem.inp (generated)

004009169.b3lyp_6-31g(d).gjf (generated)

004009169.b3lyp_6-31g(d).firefly.inp (generated)

004009169.b3lyp_6-31g(d).smash.inp (generated)

004009169.b3lyp_6-31g(d).nwchem.inp (generated) 004009169.b3lyp_6-31g(d).log.xz 004009169.td-b3lyp_6-31g+(d).inp 004009169.td-b3lyp_6-31g+(d).log.xz

004009169.td-b3lyp_6-31+g(d).qchem.inp (generated)

004009169.td-b3lyp_6-31+g(d).gjf (generated)

004009169.td-b3lyp_6-31+g(d).firefly.inp (generated)

004009169.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004009169.mol 004009169.PUBCHEM 004009169.mol (via Jmol)
004009188.b3lyp_6-31g(d).inp

004009188.b3lyp_6-31g(d).qchem.inp (generated)

004009188.b3lyp_6-31g(d).gjf (generated)

004009188.b3lyp_6-31g(d).firefly.inp (generated)

004009188.b3lyp_6-31g(d).smash.inp (generated)

004009188.b3lyp_6-31g(d).nwchem.inp (generated) 004009188.b3lyp_6-31g(d).log.xz 004009188.td-b3lyp_6-31g+(d).inp 004009188.td-b3lyp_6-31g+(d).log.xz

004009188.td-b3lyp_6-31+g(d).qchem.inp (generated)

004009188.td-b3lyp_6-31+g(d).gjf (generated)

004009188.td-b3lyp_6-31+g(d).firefly.inp (generated)

004009188.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004009188.mol 004009188.PUBCHEM 004009188.mol (via Jmol)
004009240.b3lyp_6-31g(d).inp

004009240.b3lyp_6-31g(d).qchem.inp (generated)

004009240.b3lyp_6-31g(d).gjf (generated)

004009240.b3lyp_6-31g(d).firefly.inp (generated)

004009240.b3lyp_6-31g(d).smash.inp (generated)

004009240.b3lyp_6-31g(d).nwchem.inp (generated) 004009240.b3lyp_6-31g(d).log.xz 004009240.mol 004009240.PUBCHEM 004009240.mol (via Jmol)
004009348.b3lyp_6-31g(d).inp

004009348.b3lyp_6-31g(d).qchem.inp (generated)

004009348.b3lyp_6-31g(d).gjf (generated)

004009348.b3lyp_6-31g(d).firefly.inp (generated)

004009348.b3lyp_6-31g(d).smash.inp (generated)

004009348.b3lyp_6-31g(d).nwchem.inp (generated) 004009348.b3lyp_6-31g(d).log.xz 004009348.td-b3lyp_6-31g+(d).inp 004009348.td-b3lyp_6-31g+(d).log.xz

004009348.td-b3lyp_6-31+g(d).qchem.inp (generated)

004009348.td-b3lyp_6-31+g(d).gjf (generated)

004009348.td-b3lyp_6-31+g(d).firefly.inp (generated)

004009348.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004009348.mol 004009348.PUBCHEM 004009348.mol (via Jmol)
004009409.b3lyp_6-31g(d).inp

004009409.b3lyp_6-31g(d).qchem.inp (generated)

004009409.b3lyp_6-31g(d).gjf (generated)

004009409.b3lyp_6-31g(d).firefly.inp (generated)

004009409.b3lyp_6-31g(d).smash.inp (generated)

004009409.b3lyp_6-31g(d).nwchem.inp (generated) 004009409.b3lyp_6-31g(d).log.xz 004009409.td-b3lyp_6-31g+(d).inp 004009409.td-b3lyp_6-31g+(d).log.xz

004009409.td-b3lyp_6-31+g(d).qchem.inp (generated)

004009409.td-b3lyp_6-31+g(d).gjf (generated)

004009409.td-b3lyp_6-31+g(d).firefly.inp (generated)

004009409.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004009409.mol 004009409.PUBCHEM 004009409.mol (via Jmol)
004009496.b3lyp_6-31g(d).inp

004009496.b3lyp_6-31g(d).qchem.inp (generated)

004009496.b3lyp_6-31g(d).gjf (generated)

004009496.b3lyp_6-31g(d).firefly.inp (generated)

004009496.b3lyp_6-31g(d).smash.inp (generated)

004009496.b3lyp_6-31g(d).nwchem.inp (generated) 004009496.b3lyp_6-31g(d).log.xz 004009496.td-b3lyp_6-31g+(d).inp 004009496.td-b3lyp_6-31g+(d).log.xz

004009496.td-b3lyp_6-31+g(d).qchem.inp (generated)

004009496.td-b3lyp_6-31+g(d).gjf (generated)

004009496.td-b3lyp_6-31+g(d).firefly.inp (generated)

004009496.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004009496.mol 004009496.PUBCHEM 004009496.mol (via Jmol)
004009525.b3lyp_6-31g(d).inp

004009525.b3lyp_6-31g(d).qchem.inp (generated)

004009525.b3lyp_6-31g(d).gjf (generated)

004009525.b3lyp_6-31g(d).firefly.inp (generated)

004009525.b3lyp_6-31g(d).smash.inp (generated)

004009525.b3lyp_6-31g(d).nwchem.inp (generated) 004009525.b3lyp_6-31g(d).log.xz 004009525.mol 004009525.PUBCHEM 004009525.mol (via Jmol)
004009637.b3lyp_6-31g(d).inp

004009637.b3lyp_6-31g(d).qchem.inp (generated)

004009637.b3lyp_6-31g(d).gjf (generated)

004009637.b3lyp_6-31g(d).firefly.inp (generated)

004009637.b3lyp_6-31g(d).smash.inp (generated)

004009637.b3lyp_6-31g(d).nwchem.inp (generated) 004009637.b3lyp_6-31g(d).log.xz 004009637.td-b3lyp_6-31g+(d).inp 004009637.td-b3lyp_6-31g+(d).log.xz

004009637.td-b3lyp_6-31+g(d).qchem.inp (generated)

004009637.td-b3lyp_6-31+g(d).gjf (generated)

004009637.td-b3lyp_6-31+g(d).firefly.inp (generated)

004009637.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004009637.mol 004009637.PUBCHEM 004009637.mol (via Jmol)
004009641.b3lyp_6-31g(d).inp

004009641.b3lyp_6-31g(d).qchem.inp (generated)

004009641.b3lyp_6-31g(d).gjf (generated)

004009641.b3lyp_6-31g(d).firefly.inp (generated)

004009641.b3lyp_6-31g(d).smash.inp (generated)

004009641.b3lyp_6-31g(d).nwchem.inp (generated) 004009641.b3lyp_6-31g(d).log.xz 004009641.td-b3lyp_6-31g+(d).inp 004009641.td-b3lyp_6-31g+(d).log.xz

004009641.td-b3lyp_6-31+g(d).qchem.inp (generated)

004009641.td-b3lyp_6-31+g(d).gjf (generated)

004009641.td-b3lyp_6-31+g(d).firefly.inp (generated)

004009641.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004009641.mol 004009641.PUBCHEM 004009641.mol (via Jmol)
004009737.b3lyp_6-31g(d).inp

004009737.b3lyp_6-31g(d).qchem.inp (generated)

004009737.b3lyp_6-31g(d).gjf (generated)

004009737.b3lyp_6-31g(d).firefly.inp (generated)

004009737.b3lyp_6-31g(d).smash.inp (generated)

004009737.b3lyp_6-31g(d).nwchem.inp (generated) 004009737.b3lyp_6-31g(d).log.xz 004009737.td-b3lyp_6-31g+(d).inp 004009737.td-b3lyp_6-31g+(d).log.xz

004009737.td-b3lyp_6-31+g(d).qchem.inp (generated)

004009737.td-b3lyp_6-31+g(d).gjf (generated)

004009737.td-b3lyp_6-31+g(d).firefly.inp (generated)

004009737.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004009737.mol 004009737.PUBCHEM 004009737.mol (via Jmol)
004009792.b3lyp_6-31g(d).inp

004009792.b3lyp_6-31g(d).qchem.inp (generated)

004009792.b3lyp_6-31g(d).gjf (generated)

004009792.b3lyp_6-31g(d).firefly.inp (generated)

004009792.b3lyp_6-31g(d).smash.inp (generated)

004009792.b3lyp_6-31g(d).nwchem.inp (generated) 004009792.b3lyp_6-31g(d).log.xz 004009792.td-b3lyp_6-31g+(d).inp 004009792.td-b3lyp_6-31g+(d).log.xz

004009792.td-b3lyp_6-31+g(d).qchem.inp (generated)

004009792.td-b3lyp_6-31+g(d).gjf (generated)

004009792.td-b3lyp_6-31+g(d).firefly.inp (generated)

004009792.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004009792.mol 004009792.PUBCHEM 004009792.mol (via Jmol)
004010004.b3lyp_6-31g(d).inp

004010004.b3lyp_6-31g(d).qchem.inp (generated)

004010004.b3lyp_6-31g(d).gjf (generated)

004010004.b3lyp_6-31g(d).firefly.inp (generated)

004010004.b3lyp_6-31g(d).smash.inp (generated)

004010004.b3lyp_6-31g(d).nwchem.inp (generated) 004010004.b3lyp_6-31g(d).log.xz 004010004.td-b3lyp_6-31g+(d).inp 004010004.td-b3lyp_6-31g+(d).log.xz

004010004.td-b3lyp_6-31+g(d).qchem.inp (generated)

004010004.td-b3lyp_6-31+g(d).gjf (generated)

004010004.td-b3lyp_6-31+g(d).firefly.inp (generated)

004010004.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004010004.mol 004010004.PUBCHEM 004010004.mol (via Jmol)
004010024.b3lyp_6-31g(d).inp

004010024.b3lyp_6-31g(d).qchem.inp (generated)

004010024.b3lyp_6-31g(d).gjf (generated)

004010024.b3lyp_6-31g(d).firefly.inp (generated)

004010024.b3lyp_6-31g(d).smash.inp (generated)

004010024.b3lyp_6-31g(d).nwchem.inp (generated) 004010024.b3lyp_6-31g(d).log.xz 004010024.td-b3lyp_6-31g+(d).inp 004010024.td-b3lyp_6-31g+(d).log.xz

004010024.td-b3lyp_6-31+g(d).qchem.inp (generated)

004010024.td-b3lyp_6-31+g(d).gjf (generated)

004010024.td-b3lyp_6-31+g(d).firefly.inp (generated)

004010024.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004010024.mol 004010024.PUBCHEM 004010024.mol (via Jmol)
004010034.b3lyp_6-31g(d).inp

004010034.b3lyp_6-31g(d).qchem.inp (generated)

004010034.b3lyp_6-31g(d).gjf (generated)

004010034.b3lyp_6-31g(d).firefly.inp (generated)

004010034.b3lyp_6-31g(d).smash.inp (generated)

004010034.b3lyp_6-31g(d).nwchem.inp (generated) 004010034.b3lyp_6-31g(d).log.xz 004010034.td-b3lyp_6-31g+(d).inp 004010034.td-b3lyp_6-31g+(d).log.xz

004010034.td-b3lyp_6-31+g(d).qchem.inp (generated)

004010034.td-b3lyp_6-31+g(d).gjf (generated)

004010034.td-b3lyp_6-31+g(d).firefly.inp (generated)

004010034.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004010034.mol 004010034.PUBCHEM 004010034.mol (via Jmol)
004010221.b3lyp_6-31g(d).inp

004010221.b3lyp_6-31g(d).qchem.inp (generated)

004010221.b3lyp_6-31g(d).gjf (generated)

004010221.b3lyp_6-31g(d).firefly.inp (generated)

004010221.b3lyp_6-31g(d).smash.inp (generated)

004010221.b3lyp_6-31g(d).nwchem.inp (generated) 004010221.b3lyp_6-31g(d).log.xz 004010221.td-b3lyp_6-31g+(d).inp 004010221.td-b3lyp_6-31g+(d).log.xz

004010221.td-b3lyp_6-31+g(d).qchem.inp (generated)

004010221.td-b3lyp_6-31+g(d).gjf (generated)

004010221.td-b3lyp_6-31+g(d).firefly.inp (generated)

004010221.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004010221.mol 004010221.PUBCHEM 004010221.mol (via Jmol)
004010528.b3lyp_6-31g(d).inp

004010528.b3lyp_6-31g(d).qchem.inp (generated)

004010528.b3lyp_6-31g(d).gjf (generated)

004010528.b3lyp_6-31g(d).firefly.inp (generated)

004010528.b3lyp_6-31g(d).smash.inp (generated)

004010528.b3lyp_6-31g(d).nwchem.inp (generated) 004010528.b3lyp_6-31g(d).log.xz 004010528.td-b3lyp_6-31g+(d).inp 004010528.td-b3lyp_6-31g+(d).log.xz

004010528.td-b3lyp_6-31+g(d).qchem.inp (generated)

004010528.td-b3lyp_6-31+g(d).gjf (generated)

004010528.td-b3lyp_6-31+g(d).firefly.inp (generated)

004010528.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004010528.mol 004010528.PUBCHEM 004010528.mol (via Jmol)
004010539.b3lyp_6-31g(d).inp

004010539.b3lyp_6-31g(d).qchem.inp (generated)

004010539.b3lyp_6-31g(d).gjf (generated)

004010539.b3lyp_6-31g(d).firefly.inp (generated)

004010539.b3lyp_6-31g(d).smash.inp (generated)

004010539.b3lyp_6-31g(d).nwchem.inp (generated) 004010539.b3lyp_6-31g(d).log.xz 004010539.td-b3lyp_6-31g+(d).inp 004010539.td-b3lyp_6-31g+(d).log.xz

004010539.td-b3lyp_6-31+g(d).qchem.inp (generated)

004010539.td-b3lyp_6-31+g(d).gjf (generated)

004010539.td-b3lyp_6-31+g(d).firefly.inp (generated)

004010539.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004010539.mol 004010539.PUBCHEM 004010539.mol (via Jmol)
004010659.b3lyp_6-31g(d).inp

004010659.b3lyp_6-31g(d).qchem.inp (generated)

004010659.b3lyp_6-31g(d).gjf (generated)

004010659.b3lyp_6-31g(d).firefly.inp (generated)

004010659.b3lyp_6-31g(d).smash.inp (generated)

004010659.b3lyp_6-31g(d).nwchem.inp (generated) 004010659.b3lyp_6-31g(d).log.xz 004010659.td-b3lyp_6-31g+(d).inp 004010659.td-b3lyp_6-31g+(d).log.xz

004010659.td-b3lyp_6-31+g(d).qchem.inp (generated)

004010659.td-b3lyp_6-31+g(d).gjf (generated)

004010659.td-b3lyp_6-31+g(d).firefly.inp (generated)

004010659.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004010659.mol 004010659.PUBCHEM 004010659.mol (via Jmol)
004010716.b3lyp_6-31g(d).inp

004010716.b3lyp_6-31g(d).qchem.inp (generated)

004010716.b3lyp_6-31g(d).gjf (generated)

004010716.b3lyp_6-31g(d).firefly.inp (generated)

004010716.b3lyp_6-31g(d).smash.inp (generated)

004010716.b3lyp_6-31g(d).nwchem.inp (generated) 004010716.b3lyp_6-31g(d).log.xz 004010716.td-b3lyp_6-31g+(d).inp 004010716.td-b3lyp_6-31g+(d).log.xz

004010716.td-b3lyp_6-31+g(d).qchem.inp (generated)

004010716.td-b3lyp_6-31+g(d).gjf (generated)

004010716.td-b3lyp_6-31+g(d).firefly.inp (generated)

004010716.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004010716.mol 004010716.PUBCHEM 004010716.mol (via Jmol)
004010770.b3lyp_6-31g(d).inp

004010770.b3lyp_6-31g(d).qchem.inp (generated)

004010770.b3lyp_6-31g(d).gjf (generated)

004010770.b3lyp_6-31g(d).firefly.inp (generated)

004010770.b3lyp_6-31g(d).smash.inp (generated)

004010770.b3lyp_6-31g(d).nwchem.inp (generated) 004010770.b3lyp_6-31g(d).log.xz 004010770.td-b3lyp_6-31g+(d).inp 004010770.td-b3lyp_6-31g+(d).log.xz

004010770.td-b3lyp_6-31+g(d).qchem.inp (generated)

004010770.td-b3lyp_6-31+g(d).gjf (generated)

004010770.td-b3lyp_6-31+g(d).firefly.inp (generated)

004010770.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004010770.mol 004010770.PUBCHEM 004010770.mol (via Jmol)
004010784.b3lyp_6-31g(d).inp

004010784.b3lyp_6-31g(d).qchem.inp (generated)

004010784.b3lyp_6-31g(d).gjf (generated)

004010784.b3lyp_6-31g(d).firefly.inp (generated)

004010784.b3lyp_6-31g(d).smash.inp (generated)

004010784.b3lyp_6-31g(d).nwchem.inp (generated) 004010784.b3lyp_6-31g(d).log.xz 004010784.td-b3lyp_6-31g+(d).inp 004010784.td-b3lyp_6-31g+(d).log.xz

004010784.td-b3lyp_6-31+g(d).qchem.inp (generated)

004010784.td-b3lyp_6-31+g(d).gjf (generated)

004010784.td-b3lyp_6-31+g(d).firefly.inp (generated)

004010784.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004010784.mol 004010784.PUBCHEM 004010784.mol (via Jmol)
004010936.b3lyp_6-31g(d).inp

004010936.b3lyp_6-31g(d).qchem.inp (generated)

004010936.b3lyp_6-31g(d).gjf (generated)

004010936.b3lyp_6-31g(d).firefly.inp (generated)

004010936.b3lyp_6-31g(d).smash.inp (generated)

004010936.b3lyp_6-31g(d).nwchem.inp (generated) 004010936.b3lyp_6-31g(d).log.xz 004010936.td-b3lyp_6-31g+(d).inp 004010936.td-b3lyp_6-31g+(d).log.xz

004010936.td-b3lyp_6-31+g(d).qchem.inp (generated)

004010936.td-b3lyp_6-31+g(d).gjf (generated)

004010936.td-b3lyp_6-31+g(d).firefly.inp (generated)

004010936.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004010936.mol 004010936.PUBCHEM 004010936.mol (via Jmol)
004010955.b3lyp_6-31g(d).inp

004010955.b3lyp_6-31g(d).qchem.inp (generated)

004010955.b3lyp_6-31g(d).gjf (generated)

004010955.b3lyp_6-31g(d).firefly.inp (generated)

004010955.b3lyp_6-31g(d).smash.inp (generated)

004010955.b3lyp_6-31g(d).nwchem.inp (generated) 004010955.b3lyp_6-31g(d).log.xz 004010955.td-b3lyp_6-31g+(d).inp 004010955.td-b3lyp_6-31g+(d).log.xz

004010955.td-b3lyp_6-31+g(d).qchem.inp (generated)

004010955.td-b3lyp_6-31+g(d).gjf (generated)

004010955.td-b3lyp_6-31+g(d).firefly.inp (generated)

004010955.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004010955.mol 004010955.PUBCHEM 004010955.mol (via Jmol)
004011027.b3lyp_6-31g(d).inp

004011027.b3lyp_6-31g(d).qchem.inp (generated)

004011027.b3lyp_6-31g(d).gjf (generated)

004011027.b3lyp_6-31g(d).firefly.inp (generated)

004011027.b3lyp_6-31g(d).smash.inp (generated)

004011027.b3lyp_6-31g(d).nwchem.inp (generated) 004011027.b3lyp_6-31g(d).log.xz 004011027.td-b3lyp_6-31g+(d).inp 004011027.td-b3lyp_6-31g+(d).log.xz

004011027.td-b3lyp_6-31+g(d).qchem.inp (generated)

004011027.td-b3lyp_6-31+g(d).gjf (generated)

004011027.td-b3lyp_6-31+g(d).firefly.inp (generated)

004011027.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004011027.mol 004011027.PUBCHEM 004011027.mol (via Jmol)
004011028.b3lyp_6-31g(d).inp

004011028.b3lyp_6-31g(d).qchem.inp (generated)

004011028.b3lyp_6-31g(d).gjf (generated)

004011028.b3lyp_6-31g(d).firefly.inp (generated)

004011028.b3lyp_6-31g(d).smash.inp (generated)

004011028.b3lyp_6-31g(d).nwchem.inp (generated) 004011028.b3lyp_6-31g(d).log.xz 004011028.td-b3lyp_6-31g+(d).inp 004011028.td-b3lyp_6-31g+(d).log.xz

004011028.td-b3lyp_6-31+g(d).qchem.inp (generated)

004011028.td-b3lyp_6-31+g(d).gjf (generated)

004011028.td-b3lyp_6-31+g(d).firefly.inp (generated)

004011028.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004011028.mol 004011028.PUBCHEM 004011028.mol (via Jmol)
004011096.b3lyp_6-31g(d).inp

004011096.b3lyp_6-31g(d).qchem.inp (generated)

004011096.b3lyp_6-31g(d).gjf (generated)

004011096.b3lyp_6-31g(d).firefly.inp (generated)

004011096.b3lyp_6-31g(d).smash.inp (generated)

004011096.b3lyp_6-31g(d).nwchem.inp (generated) 004011096.b3lyp_6-31g(d).log.xz 004011096.td-b3lyp_6-31g+(d).inp 004011096.td-b3lyp_6-31g+(d).log.xz

004011096.td-b3lyp_6-31+g(d).qchem.inp (generated)

004011096.td-b3lyp_6-31+g(d).gjf (generated)

004011096.td-b3lyp_6-31+g(d).firefly.inp (generated)

004011096.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004011096.mol 004011096.PUBCHEM 004011096.mol (via Jmol)
004011102.b3lyp_6-31g(d).inp

004011102.b3lyp_6-31g(d).qchem.inp (generated)

004011102.b3lyp_6-31g(d).gjf (generated)

004011102.b3lyp_6-31g(d).firefly.inp (generated)

004011102.b3lyp_6-31g(d).smash.inp (generated)

004011102.b3lyp_6-31g(d).nwchem.inp (generated) 004011102.b3lyp_6-31g(d).log.xz 004011102.mol 004011102.PUBCHEM 004011102.mol (via Jmol)
004011256.b3lyp_6-31g(d).inp

004011256.b3lyp_6-31g(d).qchem.inp (generated)

004011256.b3lyp_6-31g(d).gjf (generated)

004011256.b3lyp_6-31g(d).firefly.inp (generated)

004011256.b3lyp_6-31g(d).smash.inp (generated)

004011256.b3lyp_6-31g(d).nwchem.inp (generated) 004011256.b3lyp_6-31g(d).log.xz 004011256.td-b3lyp_6-31g+(d).inp 004011256.td-b3lyp_6-31g+(d).log.xz

004011256.td-b3lyp_6-31+g(d).qchem.inp (generated)

004011256.td-b3lyp_6-31+g(d).gjf (generated)

004011256.td-b3lyp_6-31+g(d).firefly.inp (generated)

004011256.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004011256.mol 004011256.PUBCHEM 004011256.mol (via Jmol)
004011271.b3lyp_6-31g(d).inp

004011271.b3lyp_6-31g(d).qchem.inp (generated)

004011271.b3lyp_6-31g(d).gjf (generated)

004011271.b3lyp_6-31g(d).firefly.inp (generated)

004011271.b3lyp_6-31g(d).smash.inp (generated)

004011271.b3lyp_6-31g(d).nwchem.inp (generated) 004011271.b3lyp_6-31g(d).log.xz 004011271.td-b3lyp_6-31g+(d).inp 004011271.td-b3lyp_6-31g+(d).log.xz

004011271.td-b3lyp_6-31+g(d).qchem.inp (generated)

004011271.td-b3lyp_6-31+g(d).gjf (generated)

004011271.td-b3lyp_6-31+g(d).firefly.inp (generated)

004011271.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004011271.mol 004011271.PUBCHEM 004011271.mol (via Jmol)
004011301.b3lyp_6-31g(d).inp

004011301.b3lyp_6-31g(d).qchem.inp (generated)

004011301.b3lyp_6-31g(d).gjf (generated)

004011301.b3lyp_6-31g(d).firefly.inp (generated)

004011301.b3lyp_6-31g(d).smash.inp (generated)

004011301.b3lyp_6-31g(d).nwchem.inp (generated) 004011301.b3lyp_6-31g(d).log.xz 004011301.td-b3lyp_6-31g+(d).inp 004011301.td-b3lyp_6-31g+(d).log.xz

004011301.td-b3lyp_6-31+g(d).qchem.inp (generated)

004011301.td-b3lyp_6-31+g(d).gjf (generated)

004011301.td-b3lyp_6-31+g(d).firefly.inp (generated)

004011301.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004011301.mol 004011301.PUBCHEM 004011301.mol (via Jmol)
004011350.b3lyp_6-31g(d).inp

004011350.b3lyp_6-31g(d).qchem.inp (generated)

004011350.b3lyp_6-31g(d).gjf (generated)

004011350.b3lyp_6-31g(d).firefly.inp (generated)

004011350.b3lyp_6-31g(d).smash.inp (generated)

004011350.b3lyp_6-31g(d).nwchem.inp (generated) 004011350.b3lyp_6-31g(d).log.xz 004011350.mol 004011350.PUBCHEM 004011350.mol (via Jmol)
004011433.b3lyp_6-31g(d).inp

004011433.b3lyp_6-31g(d).qchem.inp (generated)

004011433.b3lyp_6-31g(d).gjf (generated)

004011433.b3lyp_6-31g(d).firefly.inp (generated)

004011433.b3lyp_6-31g(d).smash.inp (generated)

004011433.b3lyp_6-31g(d).nwchem.inp (generated) 004011433.b3lyp_6-31g(d).log.xz 004011433.td-b3lyp_6-31g+(d).inp 004011433.td-b3lyp_6-31g+(d).log.xz

004011433.td-b3lyp_6-31+g(d).qchem.inp (generated)

004011433.td-b3lyp_6-31+g(d).gjf (generated)

004011433.td-b3lyp_6-31+g(d).firefly.inp (generated)

004011433.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004011433.mol 004011433.PUBCHEM 004011433.mol (via Jmol)
004011485.b3lyp_6-31g(d).inp

004011485.b3lyp_6-31g(d).qchem.inp (generated)

004011485.b3lyp_6-31g(d).gjf (generated)

004011485.b3lyp_6-31g(d).firefly.inp (generated)

004011485.b3lyp_6-31g(d).smash.inp (generated)

004011485.b3lyp_6-31g(d).nwchem.inp (generated) 004011485.b3lyp_6-31g(d).log.xz 004011485.td-b3lyp_6-31g+(d).inp 004011485.td-b3lyp_6-31g+(d).log.xz

004011485.td-b3lyp_6-31+g(d).qchem.inp (generated)

004011485.td-b3lyp_6-31+g(d).gjf (generated)

004011485.td-b3lyp_6-31+g(d).firefly.inp (generated)

004011485.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004011485.mol 004011485.PUBCHEM 004011485.mol (via Jmol)
004011559.b3lyp_6-31g(d).inp

004011559.b3lyp_6-31g(d).qchem.inp (generated)

004011559.b3lyp_6-31g(d).gjf (generated)

004011559.b3lyp_6-31g(d).firefly.inp (generated)

004011559.b3lyp_6-31g(d).smash.inp (generated)

004011559.b3lyp_6-31g(d).nwchem.inp (generated) 004011559.b3lyp_6-31g(d).log.xz 004011559.td-b3lyp_6-31g+(d).inp 004011559.td-b3lyp_6-31g+(d).log.xz

004011559.td-b3lyp_6-31+g(d).qchem.inp (generated)

004011559.td-b3lyp_6-31+g(d).gjf (generated)

004011559.td-b3lyp_6-31+g(d).firefly.inp (generated)

004011559.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004011559.mol 004011559.PUBCHEM 004011559.mol (via Jmol)
004011560.b3lyp_6-31g(d).inp

004011560.b3lyp_6-31g(d).qchem.inp (generated)

004011560.b3lyp_6-31g(d).gjf (generated)

004011560.b3lyp_6-31g(d).firefly.inp (generated)

004011560.b3lyp_6-31g(d).smash.inp (generated)

004011560.b3lyp_6-31g(d).nwchem.inp (generated) 004011560.b3lyp_6-31g(d).log.xz 004011560.td-b3lyp_6-31g+(d).inp 004011560.td-b3lyp_6-31g+(d).log.xz

004011560.td-b3lyp_6-31+g(d).qchem.inp (generated)

004011560.td-b3lyp_6-31+g(d).gjf (generated)

004011560.td-b3lyp_6-31+g(d).firefly.inp (generated)

004011560.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004011560.mol 004011560.PUBCHEM 004011560.mol (via Jmol)
004011605.b3lyp_6-31g(d).inp

004011605.b3lyp_6-31g(d).qchem.inp (generated)

004011605.b3lyp_6-31g(d).gjf (generated)

004011605.b3lyp_6-31g(d).firefly.inp (generated)

004011605.b3lyp_6-31g(d).smash.inp (generated)

004011605.b3lyp_6-31g(d).nwchem.inp (generated) 004011605.b3lyp_6-31g(d).log.xz 004011605.td-b3lyp_6-31g+(d).inp 004011605.td-b3lyp_6-31g+(d).log.xz

004011605.td-b3lyp_6-31+g(d).qchem.inp (generated)

004011605.td-b3lyp_6-31+g(d).gjf (generated)

004011605.td-b3lyp_6-31+g(d).firefly.inp (generated)

004011605.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004011605.mol 004011605.PUBCHEM 004011605.mol (via Jmol)
004011687.b3lyp_6-31g(d).inp

004011687.b3lyp_6-31g(d).qchem.inp (generated)

004011687.b3lyp_6-31g(d).gjf (generated)

004011687.b3lyp_6-31g(d).firefly.inp (generated)

004011687.b3lyp_6-31g(d).smash.inp (generated)

004011687.b3lyp_6-31g(d).nwchem.inp (generated) 004011687.b3lyp_6-31g(d).log.xz 004011687.td-b3lyp_6-31g+(d).inp 004011687.td-b3lyp_6-31g+(d).log.xz

004011687.td-b3lyp_6-31+g(d).qchem.inp (generated)

004011687.td-b3lyp_6-31+g(d).gjf (generated)

004011687.td-b3lyp_6-31+g(d).firefly.inp (generated)

004011687.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004011687.mol 004011687.PUBCHEM 004011687.mol (via Jmol)
004011696.b3lyp_6-31g(d).inp

004011696.b3lyp_6-31g(d).qchem.inp (generated)

004011696.b3lyp_6-31g(d).gjf (generated)

004011696.b3lyp_6-31g(d).firefly.inp (generated)

004011696.b3lyp_6-31g(d).smash.inp (generated)

004011696.b3lyp_6-31g(d).nwchem.inp (generated) 004011696.b3lyp_6-31g(d).log.xz 004011696.td-b3lyp_6-31g+(d).inp 004011696.td-b3lyp_6-31g+(d).log.xz

004011696.td-b3lyp_6-31+g(d).qchem.inp (generated)

004011696.td-b3lyp_6-31+g(d).gjf (generated)

004011696.td-b3lyp_6-31+g(d).firefly.inp (generated)

004011696.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004011696.mol 004011696.PUBCHEM 004011696.mol (via Jmol)
004011711.b3lyp_6-31g(d).inp

004011711.b3lyp_6-31g(d).qchem.inp (generated)

004011711.b3lyp_6-31g(d).gjf (generated)

004011711.b3lyp_6-31g(d).firefly.inp (generated)

004011711.b3lyp_6-31g(d).smash.inp (generated)

004011711.b3lyp_6-31g(d).nwchem.inp (generated) 004011711.b3lyp_6-31g(d).log.xz 004011711.td-b3lyp_6-31g+(d).inp 004011711.td-b3lyp_6-31g+(d).log.xz

004011711.td-b3lyp_6-31+g(d).qchem.inp (generated)

004011711.td-b3lyp_6-31+g(d).gjf (generated)

004011711.td-b3lyp_6-31+g(d).firefly.inp (generated)

004011711.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004011711.mol 004011711.PUBCHEM 004011711.mol (via Jmol)
004011778.b3lyp_6-31g(d).inp

004011778.b3lyp_6-31g(d).qchem.inp (generated)

004011778.b3lyp_6-31g(d).gjf (generated)

004011778.b3lyp_6-31g(d).firefly.inp (generated)

004011778.b3lyp_6-31g(d).smash.inp (generated)

004011778.b3lyp_6-31g(d).nwchem.inp (generated) 004011778.b3lyp_6-31g(d).log.xz 004011778.mol 004011778.PUBCHEM 004011778.mol (via Jmol)
004011780.b3lyp_6-31g(d).inp

004011780.b3lyp_6-31g(d).qchem.inp (generated)

004011780.b3lyp_6-31g(d).gjf (generated)

004011780.b3lyp_6-31g(d).firefly.inp (generated)

004011780.b3lyp_6-31g(d).smash.inp (generated)

004011780.b3lyp_6-31g(d).nwchem.inp (generated) 004011780.b3lyp_6-31g(d).log.xz 004011780.td-b3lyp_6-31g+(d).inp 004011780.td-b3lyp_6-31g+(d).log.xz

004011780.td-b3lyp_6-31+g(d).qchem.inp (generated)

004011780.td-b3lyp_6-31+g(d).gjf (generated)

004011780.td-b3lyp_6-31+g(d).firefly.inp (generated)

004011780.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004011780.mol 004011780.PUBCHEM 004011780.mol (via Jmol)
004011828.b3lyp_6-31g(d).inp

004011828.b3lyp_6-31g(d).qchem.inp (generated)

004011828.b3lyp_6-31g(d).gjf (generated)

004011828.b3lyp_6-31g(d).firefly.inp (generated)

004011828.b3lyp_6-31g(d).smash.inp (generated)

004011828.b3lyp_6-31g(d).nwchem.inp (generated) 004011828.b3lyp_6-31g(d).log.xz 004011828.td-b3lyp_6-31g+(d).inp 004011828.td-b3lyp_6-31g+(d).log.xz

004011828.td-b3lyp_6-31+g(d).qchem.inp (generated)

004011828.td-b3lyp_6-31+g(d).gjf (generated)

004011828.td-b3lyp_6-31+g(d).firefly.inp (generated)

004011828.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004011828.mol 004011828.PUBCHEM 004011828.mol (via Jmol)
004011869.b3lyp_6-31g(d).inp

004011869.b3lyp_6-31g(d).qchem.inp (generated)

004011869.b3lyp_6-31g(d).gjf (generated)

004011869.b3lyp_6-31g(d).firefly.inp (generated)

004011869.b3lyp_6-31g(d).smash.inp (generated)

004011869.b3lyp_6-31g(d).nwchem.inp (generated) 004011869.b3lyp_6-31g(d).log.xz 004011869.td-b3lyp_6-31g+(d).inp 004011869.td-b3lyp_6-31g+(d).log.xz

004011869.td-b3lyp_6-31+g(d).qchem.inp (generated)

004011869.td-b3lyp_6-31+g(d).gjf (generated)

004011869.td-b3lyp_6-31+g(d).firefly.inp (generated)

004011869.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004011869.mol 004011869.PUBCHEM 004011869.mol (via Jmol)
004011874.b3lyp_6-31g(d).inp

004011874.b3lyp_6-31g(d).qchem.inp (generated)

004011874.b3lyp_6-31g(d).gjf (generated)

004011874.b3lyp_6-31g(d).firefly.inp (generated)

004011874.b3lyp_6-31g(d).smash.inp (generated)

004011874.b3lyp_6-31g(d).nwchem.inp (generated) 004011874.b3lyp_6-31g(d).log.xz 004011874.td-b3lyp_6-31g+(d).inp 004011874.td-b3lyp_6-31g+(d).log.xz

004011874.td-b3lyp_6-31+g(d).qchem.inp (generated)

004011874.td-b3lyp_6-31+g(d).gjf (generated)

004011874.td-b3lyp_6-31+g(d).firefly.inp (generated)

004011874.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004011874.mol 004011874.PUBCHEM 004011874.mol (via Jmol)
004011892.b3lyp_6-31g(d).inp

004011892.b3lyp_6-31g(d).qchem.inp (generated)

004011892.b3lyp_6-31g(d).gjf (generated)

004011892.b3lyp_6-31g(d).firefly.inp (generated)

004011892.b3lyp_6-31g(d).smash.inp (generated)

004011892.b3lyp_6-31g(d).nwchem.inp (generated) 004011892.b3lyp_6-31g(d).log.xz 004011892.td-b3lyp_6-31g+(d).inp 004011892.td-b3lyp_6-31g+(d).log.xz

004011892.td-b3lyp_6-31+g(d).qchem.inp (generated)

004011892.td-b3lyp_6-31+g(d).gjf (generated)

004011892.td-b3lyp_6-31+g(d).firefly.inp (generated)

004011892.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004011892.mol 004011892.PUBCHEM 004011892.mol (via Jmol)
004011983.b3lyp_6-31g(d).inp

004011983.b3lyp_6-31g(d).qchem.inp (generated)

004011983.b3lyp_6-31g(d).gjf (generated)

004011983.b3lyp_6-31g(d).firefly.inp (generated)

004011983.b3lyp_6-31g(d).smash.inp (generated)

004011983.b3lyp_6-31g(d).nwchem.inp (generated) 004011983.b3lyp_6-31g(d).log.xz 004011983.td-b3lyp_6-31g+(d).inp 004011983.td-b3lyp_6-31g+(d).log.xz

004011983.td-b3lyp_6-31+g(d).qchem.inp (generated)

004011983.td-b3lyp_6-31+g(d).gjf (generated)

004011983.td-b3lyp_6-31+g(d).firefly.inp (generated)

004011983.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004011983.mol 004011983.PUBCHEM 004011983.mol (via Jmol)
004012128.b3lyp_6-31g(d).inp

004012128.b3lyp_6-31g(d).qchem.inp (generated)

004012128.b3lyp_6-31g(d).gjf (generated)

004012128.b3lyp_6-31g(d).firefly.inp (generated)

004012128.b3lyp_6-31g(d).smash.inp (generated)

004012128.b3lyp_6-31g(d).nwchem.inp (generated) 004012128.b3lyp_6-31g(d).log.xz 004012128.td-b3lyp_6-31g+(d).inp 004012128.td-b3lyp_6-31g+(d).log.xz

004012128.td-b3lyp_6-31+g(d).qchem.inp (generated)

004012128.td-b3lyp_6-31+g(d).gjf (generated)

004012128.td-b3lyp_6-31+g(d).firefly.inp (generated)

004012128.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004012128.mol 004012128.PUBCHEM 004012128.mol (via Jmol)
004012136.b3lyp_6-31g(d).inp

004012136.b3lyp_6-31g(d).qchem.inp (generated)

004012136.b3lyp_6-31g(d).gjf (generated)

004012136.b3lyp_6-31g(d).firefly.inp (generated)

004012136.b3lyp_6-31g(d).smash.inp (generated)

004012136.b3lyp_6-31g(d).nwchem.inp (generated) 004012136.b3lyp_6-31g(d).log.xz 004012136.td-b3lyp_6-31g+(d).inp 004012136.td-b3lyp_6-31g+(d).log.xz

004012136.td-b3lyp_6-31+g(d).qchem.inp (generated)

004012136.td-b3lyp_6-31+g(d).gjf (generated)

004012136.td-b3lyp_6-31+g(d).firefly.inp (generated)

004012136.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004012136.mol 004012136.PUBCHEM 004012136.mol (via Jmol)
004012347.b3lyp_6-31g(d).inp

004012347.b3lyp_6-31g(d).qchem.inp (generated)

004012347.b3lyp_6-31g(d).gjf (generated)

004012347.b3lyp_6-31g(d).firefly.inp (generated)

004012347.b3lyp_6-31g(d).smash.inp (generated)

004012347.b3lyp_6-31g(d).nwchem.inp (generated) 004012347.b3lyp_6-31g(d).log.xz 004012347.td-b3lyp_6-31g+(d).inp 004012347.td-b3lyp_6-31g+(d).log.xz

004012347.td-b3lyp_6-31+g(d).qchem.inp (generated)

004012347.td-b3lyp_6-31+g(d).gjf (generated)

004012347.td-b3lyp_6-31+g(d).firefly.inp (generated)

004012347.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004012347.mol 004012347.PUBCHEM 004012347.mol (via Jmol)
004012414.b3lyp_6-31g(d).inp

004012414.b3lyp_6-31g(d).qchem.inp (generated)

004012414.b3lyp_6-31g(d).gjf (generated)

004012414.b3lyp_6-31g(d).firefly.inp (generated)

004012414.b3lyp_6-31g(d).smash.inp (generated)

004012414.b3lyp_6-31g(d).nwchem.inp (generated) 004012414.b3lyp_6-31g(d).log.xz 004012414.td-b3lyp_6-31g+(d).inp 004012414.td-b3lyp_6-31g+(d).log.xz

004012414.td-b3lyp_6-31+g(d).qchem.inp (generated)

004012414.td-b3lyp_6-31+g(d).gjf (generated)

004012414.td-b3lyp_6-31+g(d).firefly.inp (generated)

004012414.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004012414.mol 004012414.PUBCHEM 004012414.mol (via Jmol)
004012482.b3lyp_6-31g(d).inp

004012482.b3lyp_6-31g(d).qchem.inp (generated)

004012482.b3lyp_6-31g(d).gjf (generated)

004012482.b3lyp_6-31g(d).firefly.inp (generated)

004012482.b3lyp_6-31g(d).smash.inp (generated)

004012482.b3lyp_6-31g(d).nwchem.inp (generated) 004012482.b3lyp_6-31g(d).log.xz 004012482.td-b3lyp_6-31g+(d).inp 004012482.td-b3lyp_6-31g+(d).log.xz

004012482.td-b3lyp_6-31+g(d).qchem.inp (generated)

004012482.td-b3lyp_6-31+g(d).gjf (generated)

004012482.td-b3lyp_6-31+g(d).firefly.inp (generated)

004012482.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004012482.mol 004012482.PUBCHEM 004012482.mol (via Jmol)
004012541.b3lyp_6-31g(d).inp

004012541.b3lyp_6-31g(d).qchem.inp (generated)

004012541.b3lyp_6-31g(d).gjf (generated)

004012541.b3lyp_6-31g(d).firefly.inp (generated)

004012541.b3lyp_6-31g(d).smash.inp (generated)

004012541.b3lyp_6-31g(d).nwchem.inp (generated) 004012541.b3lyp_6-31g(d).log.xz 004012541.td-b3lyp_6-31g+(d).inp 004012541.td-b3lyp_6-31g+(d).log.xz

004012541.td-b3lyp_6-31+g(d).qchem.inp (generated)

004012541.td-b3lyp_6-31+g(d).gjf (generated)

004012541.td-b3lyp_6-31+g(d).firefly.inp (generated)

004012541.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004012541.mol 004012541.PUBCHEM 004012541.mol (via Jmol)
004012572.b3lyp_6-31g(d).inp

004012572.b3lyp_6-31g(d).qchem.inp (generated)

004012572.b3lyp_6-31g(d).gjf (generated)

004012572.b3lyp_6-31g(d).firefly.inp (generated)

004012572.b3lyp_6-31g(d).smash.inp (generated)

004012572.b3lyp_6-31g(d).nwchem.inp (generated) 004012572.b3lyp_6-31g(d).log.xz 004012572.td-b3lyp_6-31g+(d).inp 004012572.td-b3lyp_6-31g+(d).log.xz

004012572.td-b3lyp_6-31+g(d).qchem.inp (generated)

004012572.td-b3lyp_6-31+g(d).gjf (generated)

004012572.td-b3lyp_6-31+g(d).firefly.inp (generated)

004012572.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004012572.mol 004012572.PUBCHEM 004012572.mol (via Jmol)
004012742.b3lyp_6-31g(d).inp

004012742.b3lyp_6-31g(d).qchem.inp (generated)

004012742.b3lyp_6-31g(d).gjf (generated)

004012742.b3lyp_6-31g(d).firefly.inp (generated)

004012742.b3lyp_6-31g(d).smash.inp (generated)

004012742.b3lyp_6-31g(d).nwchem.inp (generated) 004012742.b3lyp_6-31g(d).log.xz 004012742.td-b3lyp_6-31g+(d).inp 004012742.td-b3lyp_6-31g+(d).log.xz

004012742.td-b3lyp_6-31+g(d).qchem.inp (generated)

004012742.td-b3lyp_6-31+g(d).gjf (generated)

004012742.td-b3lyp_6-31+g(d).firefly.inp (generated)

004012742.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004012742.mol 004012742.PUBCHEM 004012742.mol (via Jmol)
004012886.b3lyp_6-31g(d).inp

004012886.b3lyp_6-31g(d).qchem.inp (generated)

004012886.b3lyp_6-31g(d).gjf (generated)

004012886.b3lyp_6-31g(d).firefly.inp (generated)

004012886.b3lyp_6-31g(d).smash.inp (generated)

004012886.b3lyp_6-31g(d).nwchem.inp (generated) 004012886.b3lyp_6-31g(d).log.xz 004012886.td-b3lyp_6-31g+(d).inp 004012886.td-b3lyp_6-31g+(d).log.xz

004012886.td-b3lyp_6-31+g(d).qchem.inp (generated)

004012886.td-b3lyp_6-31+g(d).gjf (generated)

004012886.td-b3lyp_6-31+g(d).firefly.inp (generated)

004012886.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004012886.mol 004012886.PUBCHEM 004012886.mol (via Jmol)
004012932.b3lyp_6-31g(d).inp

004012932.b3lyp_6-31g(d).qchem.inp (generated)

004012932.b3lyp_6-31g(d).gjf (generated)

004012932.b3lyp_6-31g(d).firefly.inp (generated)

004012932.b3lyp_6-31g(d).smash.inp (generated)

004012932.b3lyp_6-31g(d).nwchem.inp (generated) 004012932.b3lyp_6-31g(d).log.xz 004012932.td-b3lyp_6-31g+(d).inp 004012932.td-b3lyp_6-31g+(d).log.xz

004012932.td-b3lyp_6-31+g(d).qchem.inp (generated)

004012932.td-b3lyp_6-31+g(d).gjf (generated)

004012932.td-b3lyp_6-31+g(d).firefly.inp (generated)

004012932.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004012932.mol 004012932.PUBCHEM 004012932.mol (via Jmol)
004012934.b3lyp_6-31g(d).inp

004012934.b3lyp_6-31g(d).qchem.inp (generated)

004012934.b3lyp_6-31g(d).gjf (generated)

004012934.b3lyp_6-31g(d).firefly.inp (generated)

004012934.b3lyp_6-31g(d).smash.inp (generated)

004012934.b3lyp_6-31g(d).nwchem.inp (generated) 004012934.b3lyp_6-31g(d).log.xz 004012934.mol 004012934.PUBCHEM 004012934.mol (via Jmol)
004012943.b3lyp_6-31g(d).inp

004012943.b3lyp_6-31g(d).qchem.inp (generated)

004012943.b3lyp_6-31g(d).gjf (generated)

004012943.b3lyp_6-31g(d).firefly.inp (generated)

004012943.b3lyp_6-31g(d).smash.inp (generated)

004012943.b3lyp_6-31g(d).nwchem.inp (generated) 004012943.b3lyp_6-31g(d).log.xz 004012943.td-b3lyp_6-31g+(d).inp 004012943.td-b3lyp_6-31g+(d).log.xz

004012943.td-b3lyp_6-31+g(d).qchem.inp (generated)

004012943.td-b3lyp_6-31+g(d).gjf (generated)

004012943.td-b3lyp_6-31+g(d).firefly.inp (generated)

004012943.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004012943.mol 004012943.PUBCHEM 004012943.mol (via Jmol)
004012949.b3lyp_6-31g(d).inp

004012949.b3lyp_6-31g(d).qchem.inp (generated)

004012949.b3lyp_6-31g(d).gjf (generated)

004012949.b3lyp_6-31g(d).firefly.inp (generated)

004012949.b3lyp_6-31g(d).smash.inp (generated)

004012949.b3lyp_6-31g(d).nwchem.inp (generated) 004012949.b3lyp_6-31g(d).log.xz 004012949.td-b3lyp_6-31g+(d).inp 004012949.td-b3lyp_6-31g+(d).log.xz

004012949.td-b3lyp_6-31+g(d).qchem.inp (generated)

004012949.td-b3lyp_6-31+g(d).gjf (generated)

004012949.td-b3lyp_6-31+g(d).firefly.inp (generated)

004012949.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004012949.mol 004012949.PUBCHEM 004012949.mol (via Jmol)
004012982.b3lyp_6-31g(d).inp

004012982.b3lyp_6-31g(d).qchem.inp (generated)

004012982.b3lyp_6-31g(d).gjf (generated)

004012982.b3lyp_6-31g(d).firefly.inp (generated)

004012982.b3lyp_6-31g(d).smash.inp (generated)

004012982.b3lyp_6-31g(d).nwchem.inp (generated) 004012982.b3lyp_6-31g(d).log.xz 004012982.td-b3lyp_6-31g+(d).inp 004012982.td-b3lyp_6-31g+(d).log.xz

004012982.td-b3lyp_6-31+g(d).qchem.inp (generated)

004012982.td-b3lyp_6-31+g(d).gjf (generated)

004012982.td-b3lyp_6-31+g(d).firefly.inp (generated)

004012982.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004012982.mol 004012982.PUBCHEM 004012982.mol (via Jmol)
004013069.b3lyp_6-31g(d).inp

004013069.b3lyp_6-31g(d).qchem.inp (generated)

004013069.b3lyp_6-31g(d).gjf (generated)

004013069.b3lyp_6-31g(d).firefly.inp (generated)

004013069.b3lyp_6-31g(d).smash.inp (generated)

004013069.b3lyp_6-31g(d).nwchem.inp (generated) 004013069.b3lyp_6-31g(d).log.xz 004013069.td-b3lyp_6-31g+(d).inp 004013069.td-b3lyp_6-31g+(d).log.xz

004013069.td-b3lyp_6-31+g(d).qchem.inp (generated)

004013069.td-b3lyp_6-31+g(d).gjf (generated)

004013069.td-b3lyp_6-31+g(d).firefly.inp (generated)

004013069.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004013069.mol 004013069.PUBCHEM 004013069.mol (via Jmol)
004013073.b3lyp_6-31g(d).inp

004013073.b3lyp_6-31g(d).qchem.inp (generated)

004013073.b3lyp_6-31g(d).gjf (generated)

004013073.b3lyp_6-31g(d).firefly.inp (generated)

004013073.b3lyp_6-31g(d).smash.inp (generated)

004013073.b3lyp_6-31g(d).nwchem.inp (generated) 004013073.b3lyp_6-31g(d).log.xz 004013073.td-b3lyp_6-31g+(d).inp 004013073.td-b3lyp_6-31g+(d).log.xz

004013073.td-b3lyp_6-31+g(d).qchem.inp (generated)

004013073.td-b3lyp_6-31+g(d).gjf (generated)

004013073.td-b3lyp_6-31+g(d).firefly.inp (generated)

004013073.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004013073.mol 004013073.PUBCHEM 004013073.mol (via Jmol)
004013102.b3lyp_6-31g(d).inp

004013102.b3lyp_6-31g(d).qchem.inp (generated)

004013102.b3lyp_6-31g(d).gjf (generated)

004013102.b3lyp_6-31g(d).firefly.inp (generated)

004013102.b3lyp_6-31g(d).smash.inp (generated)

004013102.b3lyp_6-31g(d).nwchem.inp (generated) 004013102.b3lyp_6-31g(d).log.xz 004013102.td-b3lyp_6-31g+(d).inp 004013102.td-b3lyp_6-31g+(d).log.xz

004013102.td-b3lyp_6-31+g(d).qchem.inp (generated)

004013102.td-b3lyp_6-31+g(d).gjf (generated)

004013102.td-b3lyp_6-31+g(d).firefly.inp (generated)

004013102.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004013102.mol 004013102.PUBCHEM 004013102.mol (via Jmol)
004013156.b3lyp_6-31g(d).inp

004013156.b3lyp_6-31g(d).qchem.inp (generated)

004013156.b3lyp_6-31g(d).gjf (generated)

004013156.b3lyp_6-31g(d).firefly.inp (generated)

004013156.b3lyp_6-31g(d).smash.inp (generated)

004013156.b3lyp_6-31g(d).nwchem.inp (generated) 004013156.b3lyp_6-31g(d).log.xz 004013156.td-b3lyp_6-31g+(d).inp 004013156.td-b3lyp_6-31g+(d).log.xz

004013156.td-b3lyp_6-31+g(d).qchem.inp (generated)

004013156.td-b3lyp_6-31+g(d).gjf (generated)

004013156.td-b3lyp_6-31+g(d).firefly.inp (generated)

004013156.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004013156.mol 004013156.PUBCHEM 004013156.mol (via Jmol)
004013198.b3lyp_6-31g(d).inp

004013198.b3lyp_6-31g(d).qchem.inp (generated)

004013198.b3lyp_6-31g(d).gjf (generated)

004013198.b3lyp_6-31g(d).firefly.inp (generated)

004013198.b3lyp_6-31g(d).smash.inp (generated)

004013198.b3lyp_6-31g(d).nwchem.inp (generated) 004013198.b3lyp_6-31g(d).log.xz 004013198.td-b3lyp_6-31g+(d).inp 004013198.td-b3lyp_6-31g+(d).log.xz

004013198.td-b3lyp_6-31+g(d).qchem.inp (generated)

004013198.td-b3lyp_6-31+g(d).gjf (generated)

004013198.td-b3lyp_6-31+g(d).firefly.inp (generated)

004013198.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004013198.mol 004013198.PUBCHEM 004013198.mol (via Jmol)
004013220.b3lyp_6-31g(d).inp

004013220.b3lyp_6-31g(d).qchem.inp (generated)

004013220.b3lyp_6-31g(d).gjf (generated)

004013220.b3lyp_6-31g(d).firefly.inp (generated)

004013220.b3lyp_6-31g(d).smash.inp (generated)

004013220.b3lyp_6-31g(d).nwchem.inp (generated) 004013220.b3lyp_6-31g(d).log.xz 004013220.td-b3lyp_6-31g+(d).inp 004013220.td-b3lyp_6-31g+(d).log.xz

004013220.td-b3lyp_6-31+g(d).qchem.inp (generated)

004013220.td-b3lyp_6-31+g(d).gjf (generated)

004013220.td-b3lyp_6-31+g(d).firefly.inp (generated)

004013220.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004013220.mol 004013220.PUBCHEM 004013220.mol (via Jmol)
004013246.b3lyp_6-31g(d).inp

004013246.b3lyp_6-31g(d).qchem.inp (generated)

004013246.b3lyp_6-31g(d).gjf (generated)

004013246.b3lyp_6-31g(d).firefly.inp (generated)

004013246.b3lyp_6-31g(d).smash.inp (generated)

004013246.b3lyp_6-31g(d).nwchem.inp (generated) 004013246.b3lyp_6-31g(d).log.xz 004013246.mol 004013246.PUBCHEM 004013246.mol (via Jmol)
004013254.b3lyp_6-31g(d).inp

004013254.b3lyp_6-31g(d).qchem.inp (generated)

004013254.b3lyp_6-31g(d).gjf (generated)

004013254.b3lyp_6-31g(d).firefly.inp (generated)

004013254.b3lyp_6-31g(d).smash.inp (generated)

004013254.b3lyp_6-31g(d).nwchem.inp (generated) 004013254.b3lyp_6-31g(d).log.xz 004013254.td-b3lyp_6-31g+(d).inp 004013254.td-b3lyp_6-31g+(d).log.xz

004013254.td-b3lyp_6-31+g(d).qchem.inp (generated)

004013254.td-b3lyp_6-31+g(d).gjf (generated)

004013254.td-b3lyp_6-31+g(d).firefly.inp (generated)

004013254.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004013254.mol 004013254.PUBCHEM 004013254.mol (via Jmol)
004013476.b3lyp_6-31g(d).inp

004013476.b3lyp_6-31g(d).qchem.inp (generated)

004013476.b3lyp_6-31g(d).gjf (generated)

004013476.b3lyp_6-31g(d).firefly.inp (generated)

004013476.b3lyp_6-31g(d).smash.inp (generated)

004013476.b3lyp_6-31g(d).nwchem.inp (generated) 004013476.b3lyp_6-31g(d).log.xz 004013476.td-b3lyp_6-31g+(d).inp 004013476.td-b3lyp_6-31g+(d).log.xz

004013476.td-b3lyp_6-31+g(d).qchem.inp (generated)

004013476.td-b3lyp_6-31+g(d).gjf (generated)

004013476.td-b3lyp_6-31+g(d).firefly.inp (generated)

004013476.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004013476.mol 004013476.PUBCHEM 004013476.mol (via Jmol)
004013493.b3lyp_6-31g(d).inp

004013493.b3lyp_6-31g(d).qchem.inp (generated)

004013493.b3lyp_6-31g(d).gjf (generated)

004013493.b3lyp_6-31g(d).firefly.inp (generated)

004013493.b3lyp_6-31g(d).smash.inp (generated)

004013493.b3lyp_6-31g(d).nwchem.inp (generated) 004013493.b3lyp_6-31g(d).log.xz 004013493.td-b3lyp_6-31g+(d).inp 004013493.td-b3lyp_6-31g+(d).log.xz

004013493.td-b3lyp_6-31+g(d).qchem.inp (generated)

004013493.td-b3lyp_6-31+g(d).gjf (generated)

004013493.td-b3lyp_6-31+g(d).firefly.inp (generated)

004013493.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004013493.mol 004013493.PUBCHEM 004013493.mol (via Jmol)
004013500.b3lyp_6-31g(d).inp

004013500.b3lyp_6-31g(d).qchem.inp (generated)

004013500.b3lyp_6-31g(d).gjf (generated)

004013500.b3lyp_6-31g(d).firefly.inp (generated)

004013500.b3lyp_6-31g(d).smash.inp (generated)

004013500.b3lyp_6-31g(d).nwchem.inp (generated) 004013500.b3lyp_6-31g(d).log.xz 004013500.td-b3lyp_6-31g+(d).inp 004013500.td-b3lyp_6-31g+(d).log.xz

004013500.td-b3lyp_6-31+g(d).qchem.inp (generated)

004013500.td-b3lyp_6-31+g(d).gjf (generated)

004013500.td-b3lyp_6-31+g(d).firefly.inp (generated)

004013500.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004013500.mol 004013500.PUBCHEM 004013500.mol (via Jmol)
004013516.b3lyp_6-31g(d).inp

004013516.b3lyp_6-31g(d).qchem.inp (generated)

004013516.b3lyp_6-31g(d).gjf (generated)

004013516.b3lyp_6-31g(d).firefly.inp (generated)

004013516.b3lyp_6-31g(d).smash.inp (generated)

004013516.b3lyp_6-31g(d).nwchem.inp (generated) 004013516.b3lyp_6-31g(d).log.xz 004013516.td-b3lyp_6-31g+(d).inp 004013516.td-b3lyp_6-31g+(d).log.xz

004013516.td-b3lyp_6-31+g(d).qchem.inp (generated)

004013516.td-b3lyp_6-31+g(d).gjf (generated)

004013516.td-b3lyp_6-31+g(d).firefly.inp (generated)

004013516.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004013516.mol 004013516.PUBCHEM 004013516.mol (via Jmol)
004013534.b3lyp_6-31g(d).inp

004013534.b3lyp_6-31g(d).qchem.inp (generated)

004013534.b3lyp_6-31g(d).gjf (generated)

004013534.b3lyp_6-31g(d).firefly.inp (generated)

004013534.b3lyp_6-31g(d).smash.inp (generated)

004013534.b3lyp_6-31g(d).nwchem.inp (generated) 004013534.b3lyp_6-31g(d).log.xz 004013534.td-b3lyp_6-31g+(d).inp 004013534.td-b3lyp_6-31g+(d).log.xz

004013534.td-b3lyp_6-31+g(d).qchem.inp (generated)

004013534.td-b3lyp_6-31+g(d).gjf (generated)

004013534.td-b3lyp_6-31+g(d).firefly.inp (generated)

004013534.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004013534.mol 004013534.PUBCHEM 004013534.mol (via Jmol)
004013570.b3lyp_6-31g(d).inp

004013570.b3lyp_6-31g(d).qchem.inp (generated)

004013570.b3lyp_6-31g(d).gjf (generated)

004013570.b3lyp_6-31g(d).firefly.inp (generated)

004013570.b3lyp_6-31g(d).smash.inp (generated)

004013570.b3lyp_6-31g(d).nwchem.inp (generated) 004013570.b3lyp_6-31g(d).log.xz 004013570.td-b3lyp_6-31g+(d).inp 004013570.td-b3lyp_6-31g+(d).log.xz

004013570.td-b3lyp_6-31+g(d).qchem.inp (generated)

004013570.td-b3lyp_6-31+g(d).gjf (generated)

004013570.td-b3lyp_6-31+g(d).firefly.inp (generated)

004013570.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004013570.mol 004013570.PUBCHEM 004013570.mol (via Jmol)
004013590.b3lyp_6-31g(d).inp

004013590.b3lyp_6-31g(d).qchem.inp (generated)

004013590.b3lyp_6-31g(d).gjf (generated)

004013590.b3lyp_6-31g(d).firefly.inp (generated)

004013590.b3lyp_6-31g(d).smash.inp (generated)

004013590.b3lyp_6-31g(d).nwchem.inp (generated) 004013590.b3lyp_6-31g(d).log.xz 004013590.td-b3lyp_6-31g+(d).inp 004013590.td-b3lyp_6-31g+(d).log.xz

004013590.td-b3lyp_6-31+g(d).qchem.inp (generated)

004013590.td-b3lyp_6-31+g(d).gjf (generated)

004013590.td-b3lyp_6-31+g(d).firefly.inp (generated)

004013590.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004013590.mol 004013590.PUBCHEM 004013590.mol (via Jmol)
004013628.b3lyp_6-31g(d).inp

004013628.b3lyp_6-31g(d).qchem.inp (generated)

004013628.b3lyp_6-31g(d).gjf (generated)

004013628.b3lyp_6-31g(d).firefly.inp (generated)

004013628.b3lyp_6-31g(d).smash.inp (generated)

004013628.b3lyp_6-31g(d).nwchem.inp (generated) 004013628.b3lyp_6-31g(d).log.xz 004013628.td-b3lyp_6-31g+(d).inp 004013628.td-b3lyp_6-31g+(d).log.xz

004013628.td-b3lyp_6-31+g(d).qchem.inp (generated)

004013628.td-b3lyp_6-31+g(d).gjf (generated)

004013628.td-b3lyp_6-31+g(d).firefly.inp (generated)

004013628.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004013628.mol 004013628.PUBCHEM 004013628.mol (via Jmol)
004013632.b3lyp_6-31g(d).inp

004013632.b3lyp_6-31g(d).qchem.inp (generated)

004013632.b3lyp_6-31g(d).gjf (generated)

004013632.b3lyp_6-31g(d).firefly.inp (generated)

004013632.b3lyp_6-31g(d).smash.inp (generated)

004013632.b3lyp_6-31g(d).nwchem.inp (generated) 004013632.b3lyp_6-31g(d).log.xz 004013632.td-b3lyp_6-31g+(d).inp 004013632.td-b3lyp_6-31g+(d).log.xz

004013632.td-b3lyp_6-31+g(d).qchem.inp (generated)

004013632.td-b3lyp_6-31+g(d).gjf (generated)

004013632.td-b3lyp_6-31+g(d).firefly.inp (generated)

004013632.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004013632.mol 004013632.PUBCHEM 004013632.mol (via Jmol)
004013651.b3lyp_6-31g(d).inp

004013651.b3lyp_6-31g(d).qchem.inp (generated)

004013651.b3lyp_6-31g(d).gjf (generated)

004013651.b3lyp_6-31g(d).firefly.inp (generated)

004013651.b3lyp_6-31g(d).smash.inp (generated)

004013651.b3lyp_6-31g(d).nwchem.inp (generated) 004013651.b3lyp_6-31g(d).log.xz 004013651.td-b3lyp_6-31g+(d).inp 004013651.td-b3lyp_6-31g+(d).log.xz

004013651.td-b3lyp_6-31+g(d).qchem.inp (generated)

004013651.td-b3lyp_6-31+g(d).gjf (generated)

004013651.td-b3lyp_6-31+g(d).firefly.inp (generated)

004013651.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004013651.mol 004013651.PUBCHEM 004013651.mol (via Jmol)
004013658.b3lyp_6-31g(d).inp

004013658.b3lyp_6-31g(d).qchem.inp (generated)

004013658.b3lyp_6-31g(d).gjf (generated)

004013658.b3lyp_6-31g(d).firefly.inp (generated)

004013658.b3lyp_6-31g(d).smash.inp (generated)

004013658.b3lyp_6-31g(d).nwchem.inp (generated) 004013658.b3lyp_6-31g(d).log.xz 004013658.mol 004013658.PUBCHEM 004013658.mol (via Jmol)
004013674.b3lyp_6-31g(d).inp

004013674.b3lyp_6-31g(d).qchem.inp (generated)

004013674.b3lyp_6-31g(d).gjf (generated)

004013674.b3lyp_6-31g(d).firefly.inp (generated)

004013674.b3lyp_6-31g(d).smash.inp (generated)

004013674.b3lyp_6-31g(d).nwchem.inp (generated) 004013674.b3lyp_6-31g(d).log.xz 004013674.td-b3lyp_6-31g+(d).inp 004013674.td-b3lyp_6-31g+(d).log.xz

004013674.td-b3lyp_6-31+g(d).qchem.inp (generated)

004013674.td-b3lyp_6-31+g(d).gjf (generated)

004013674.td-b3lyp_6-31+g(d).firefly.inp (generated)

004013674.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004013674.mol 004013674.PUBCHEM 004013674.mol (via Jmol)
004013684.b3lyp_6-31g(d).inp

004013684.b3lyp_6-31g(d).qchem.inp (generated)

004013684.b3lyp_6-31g(d).gjf (generated)

004013684.b3lyp_6-31g(d).firefly.inp (generated)

004013684.b3lyp_6-31g(d).smash.inp (generated)

004013684.b3lyp_6-31g(d).nwchem.inp (generated) 004013684.b3lyp_6-31g(d).log.xz 004013684.td-b3lyp_6-31g+(d).inp 004013684.td-b3lyp_6-31g+(d).log.xz

004013684.td-b3lyp_6-31+g(d).qchem.inp (generated)

004013684.td-b3lyp_6-31+g(d).gjf (generated)

004013684.td-b3lyp_6-31+g(d).firefly.inp (generated)

004013684.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004013684.mol 004013684.PUBCHEM 004013684.mol (via Jmol)
004013688.b3lyp_6-31g(d).inp

004013688.b3lyp_6-31g(d).qchem.inp (generated)

004013688.b3lyp_6-31g(d).gjf (generated)

004013688.b3lyp_6-31g(d).firefly.inp (generated)

004013688.b3lyp_6-31g(d).smash.inp (generated)

004013688.b3lyp_6-31g(d).nwchem.inp (generated) 004013688.b3lyp_6-31g(d).log.xz 004013688.td-b3lyp_6-31g+(d).inp 004013688.td-b3lyp_6-31g+(d).log.xz

004013688.td-b3lyp_6-31+g(d).qchem.inp (generated)

004013688.td-b3lyp_6-31+g(d).gjf (generated)

004013688.td-b3lyp_6-31+g(d).firefly.inp (generated)

004013688.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004013688.mol 004013688.PUBCHEM 004013688.mol (via Jmol)
004013740.b3lyp_6-31g(d).inp

004013740.b3lyp_6-31g(d).qchem.inp (generated)

004013740.b3lyp_6-31g(d).gjf (generated)

004013740.b3lyp_6-31g(d).firefly.inp (generated)

004013740.b3lyp_6-31g(d).smash.inp (generated)

004013740.b3lyp_6-31g(d).nwchem.inp (generated) 004013740.b3lyp_6-31g(d).log.xz 004013740.td-b3lyp_6-31g+(d).inp 004013740.td-b3lyp_6-31g+(d).log.xz

004013740.td-b3lyp_6-31+g(d).qchem.inp (generated)

004013740.td-b3lyp_6-31+g(d).gjf (generated)

004013740.td-b3lyp_6-31+g(d).firefly.inp (generated)

004013740.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004013740.mol 004013740.PUBCHEM 004013740.mol (via Jmol)
004013767.b3lyp_6-31g(d).inp

004013767.b3lyp_6-31g(d).qchem.inp (generated)

004013767.b3lyp_6-31g(d).gjf (generated)

004013767.b3lyp_6-31g(d).firefly.inp (generated)

004013767.b3lyp_6-31g(d).smash.inp (generated)

004013767.b3lyp_6-31g(d).nwchem.inp (generated) 004013767.b3lyp_6-31g(d).log.xz 004013767.td-b3lyp_6-31g+(d).inp 004013767.td-b3lyp_6-31g+(d).log.xz

004013767.td-b3lyp_6-31+g(d).qchem.inp (generated)

004013767.td-b3lyp_6-31+g(d).gjf (generated)

004013767.td-b3lyp_6-31+g(d).firefly.inp (generated)

004013767.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004013767.mol 004013767.PUBCHEM 004013767.mol (via Jmol)
004013882.b3lyp_6-31g(d).inp

004013882.b3lyp_6-31g(d).qchem.inp (generated)

004013882.b3lyp_6-31g(d).gjf (generated)

004013882.b3lyp_6-31g(d).firefly.inp (generated)

004013882.b3lyp_6-31g(d).smash.inp (generated)

004013882.b3lyp_6-31g(d).nwchem.inp (generated) 004013882.b3lyp_6-31g(d).log.xz 004013882.td-b3lyp_6-31g+(d).inp 004013882.td-b3lyp_6-31g+(d).log.xz

004013882.td-b3lyp_6-31+g(d).qchem.inp (generated)

004013882.td-b3lyp_6-31+g(d).gjf (generated)

004013882.td-b3lyp_6-31+g(d).firefly.inp (generated)

004013882.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004013882.mol 004013882.PUBCHEM 004013882.mol (via Jmol)
004013888.b3lyp_6-31g(d).inp

004013888.b3lyp_6-31g(d).qchem.inp (generated)

004013888.b3lyp_6-31g(d).gjf (generated)

004013888.b3lyp_6-31g(d).firefly.inp (generated)

004013888.b3lyp_6-31g(d).smash.inp (generated)

004013888.b3lyp_6-31g(d).nwchem.inp (generated) 004013888.b3lyp_6-31g(d).log.xz 004013888.mol 004013888.PUBCHEM 004013888.mol (via Jmol)
004013891.b3lyp_6-31g(d).inp

004013891.b3lyp_6-31g(d).qchem.inp (generated)

004013891.b3lyp_6-31g(d).gjf (generated)

004013891.b3lyp_6-31g(d).firefly.inp (generated)

004013891.b3lyp_6-31g(d).smash.inp (generated)

004013891.b3lyp_6-31g(d).nwchem.inp (generated) 004013891.b3lyp_6-31g(d).log.xz 004013891.td-b3lyp_6-31g+(d).inp 004013891.td-b3lyp_6-31g+(d).log.xz

004013891.td-b3lyp_6-31+g(d).qchem.inp (generated)

004013891.td-b3lyp_6-31+g(d).gjf (generated)

004013891.td-b3lyp_6-31+g(d).firefly.inp (generated)

004013891.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004013891.mol 004013891.PUBCHEM 004013891.mol (via Jmol)
004013947.b3lyp_6-31g(d).inp

004013947.b3lyp_6-31g(d).qchem.inp (generated)

004013947.b3lyp_6-31g(d).gjf (generated)

004013947.b3lyp_6-31g(d).firefly.inp (generated)

004013947.b3lyp_6-31g(d).smash.inp (generated)

004013947.b3lyp_6-31g(d).nwchem.inp (generated) 004013947.b3lyp_6-31g(d).log.xz 004013947.td-b3lyp_6-31g+(d).inp 004013947.td-b3lyp_6-31g+(d).log.xz

004013947.td-b3lyp_6-31+g(d).qchem.inp (generated)

004013947.td-b3lyp_6-31+g(d).gjf (generated)

004013947.td-b3lyp_6-31+g(d).firefly.inp (generated)

004013947.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004013947.mol 004013947.PUBCHEM 004013947.mol (via Jmol)
004013983.b3lyp_6-31g(d).inp

004013983.b3lyp_6-31g(d).qchem.inp (generated)

004013983.b3lyp_6-31g(d).gjf (generated)

004013983.b3lyp_6-31g(d).firefly.inp (generated)

004013983.b3lyp_6-31g(d).smash.inp (generated)

004013983.b3lyp_6-31g(d).nwchem.inp (generated) 004013983.b3lyp_6-31g(d).log.xz 004013983.td-b3lyp_6-31g+(d).inp 004013983.td-b3lyp_6-31g+(d).log.xz

004013983.td-b3lyp_6-31+g(d).qchem.inp (generated)

004013983.td-b3lyp_6-31+g(d).gjf (generated)

004013983.td-b3lyp_6-31+g(d).firefly.inp (generated)

004013983.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004013983.mol 004013983.PUBCHEM 004013983.mol (via Jmol)
004013986.b3lyp_6-31g(d).inp

004013986.b3lyp_6-31g(d).qchem.inp (generated)

004013986.b3lyp_6-31g(d).gjf (generated)

004013986.b3lyp_6-31g(d).firefly.inp (generated)

004013986.b3lyp_6-31g(d).smash.inp (generated)

004013986.b3lyp_6-31g(d).nwchem.inp (generated) 004013986.b3lyp_6-31g(d).log.xz 004013986.mol 004013986.PUBCHEM 004013986.mol (via Jmol)
004014050.b3lyp_6-31g(d).inp

004014050.b3lyp_6-31g(d).qchem.inp (generated)

004014050.b3lyp_6-31g(d).gjf (generated)

004014050.b3lyp_6-31g(d).firefly.inp (generated)

004014050.b3lyp_6-31g(d).smash.inp (generated)

004014050.b3lyp_6-31g(d).nwchem.inp (generated) 004014050.b3lyp_6-31g(d).log.xz 004014050.td-b3lyp_6-31g+(d).inp 004014050.td-b3lyp_6-31g+(d).log.xz

004014050.td-b3lyp_6-31+g(d).qchem.inp (generated)

004014050.td-b3lyp_6-31+g(d).gjf (generated)

004014050.td-b3lyp_6-31+g(d).firefly.inp (generated)

004014050.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004014050.mol 004014050.PUBCHEM 004014050.mol (via Jmol)
004014052.b3lyp_6-31g(d).inp

004014052.b3lyp_6-31g(d).qchem.inp (generated)

004014052.b3lyp_6-31g(d).gjf (generated)

004014052.b3lyp_6-31g(d).firefly.inp (generated)

004014052.b3lyp_6-31g(d).smash.inp (generated)

004014052.b3lyp_6-31g(d).nwchem.inp (generated) 004014052.b3lyp_6-31g(d).log.xz 004014052.mol 004014052.PUBCHEM 004014052.mol (via Jmol)
004014072.b3lyp_6-31g(d).inp

004014072.b3lyp_6-31g(d).qchem.inp (generated)

004014072.b3lyp_6-31g(d).gjf (generated)

004014072.b3lyp_6-31g(d).firefly.inp (generated)

004014072.b3lyp_6-31g(d).smash.inp (generated)

004014072.b3lyp_6-31g(d).nwchem.inp (generated) 004014072.b3lyp_6-31g(d).log.xz 004014072.mol 004014072.PUBCHEM 004014072.mol (via Jmol)
004014173.b3lyp_6-31g(d).inp

004014173.b3lyp_6-31g(d).qchem.inp (generated)

004014173.b3lyp_6-31g(d).gjf (generated)

004014173.b3lyp_6-31g(d).firefly.inp (generated)

004014173.b3lyp_6-31g(d).smash.inp (generated)

004014173.b3lyp_6-31g(d).nwchem.inp (generated) 004014173.b3lyp_6-31g(d).log.xz 004014173.td-b3lyp_6-31g+(d).inp 004014173.td-b3lyp_6-31g+(d).log.xz

004014173.td-b3lyp_6-31+g(d).qchem.inp (generated)

004014173.td-b3lyp_6-31+g(d).gjf (generated)

004014173.td-b3lyp_6-31+g(d).firefly.inp (generated)

004014173.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004014173.mol 004014173.PUBCHEM 004014173.mol (via Jmol)
004014322.b3lyp_6-31g(d).inp

004014322.b3lyp_6-31g(d).qchem.inp (generated)

004014322.b3lyp_6-31g(d).gjf (generated)

004014322.b3lyp_6-31g(d).firefly.inp (generated)

004014322.b3lyp_6-31g(d).smash.inp (generated)

004014322.b3lyp_6-31g(d).nwchem.inp (generated) 004014322.b3lyp_6-31g(d).log.xz 004014322.td-b3lyp_6-31g+(d).inp 004014322.td-b3lyp_6-31g+(d).log.xz

004014322.td-b3lyp_6-31+g(d).qchem.inp (generated)

004014322.td-b3lyp_6-31+g(d).gjf (generated)

004014322.td-b3lyp_6-31+g(d).firefly.inp (generated)

004014322.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004014322.mol 004014322.PUBCHEM 004014322.mol (via Jmol)
004014345.b3lyp_6-31g(d).inp

004014345.b3lyp_6-31g(d).qchem.inp (generated)

004014345.b3lyp_6-31g(d).gjf (generated)

004014345.b3lyp_6-31g(d).firefly.inp (generated)

004014345.b3lyp_6-31g(d).smash.inp (generated)

004014345.b3lyp_6-31g(d).nwchem.inp (generated) 004014345.b3lyp_6-31g(d).log.xz 004014345.td-b3lyp_6-31g+(d).inp 004014345.td-b3lyp_6-31g+(d).log.xz

004014345.td-b3lyp_6-31+g(d).qchem.inp (generated)

004014345.td-b3lyp_6-31+g(d).gjf (generated)

004014345.td-b3lyp_6-31+g(d).firefly.inp (generated)

004014345.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004014345.mol 004014345.PUBCHEM 004014345.mol (via Jmol)
004014477.b3lyp_6-31g(d).inp

004014477.b3lyp_6-31g(d).qchem.inp (generated)

004014477.b3lyp_6-31g(d).gjf (generated)

004014477.b3lyp_6-31g(d).firefly.inp (generated)

004014477.b3lyp_6-31g(d).smash.inp (generated)

004014477.b3lyp_6-31g(d).nwchem.inp (generated) 004014477.b3lyp_6-31g(d).log.xz 004014477.td-b3lyp_6-31g+(d).inp 004014477.td-b3lyp_6-31g+(d).log.xz

004014477.td-b3lyp_6-31+g(d).qchem.inp (generated)

004014477.td-b3lyp_6-31+g(d).gjf (generated)

004014477.td-b3lyp_6-31+g(d).firefly.inp (generated)

004014477.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004014477.mol 004014477.PUBCHEM 004014477.mol (via Jmol)
004014478.b3lyp_6-31g(d).inp

004014478.b3lyp_6-31g(d).qchem.inp (generated)

004014478.b3lyp_6-31g(d).gjf (generated)

004014478.b3lyp_6-31g(d).firefly.inp (generated)

004014478.b3lyp_6-31g(d).smash.inp (generated)

004014478.b3lyp_6-31g(d).nwchem.inp (generated) 004014478.b3lyp_6-31g(d).log.xz 004014478.td-b3lyp_6-31g+(d).inp 004014478.td-b3lyp_6-31g+(d).log.xz

004014478.td-b3lyp_6-31+g(d).qchem.inp (generated)

004014478.td-b3lyp_6-31+g(d).gjf (generated)

004014478.td-b3lyp_6-31+g(d).firefly.inp (generated)

004014478.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004014478.mol 004014478.PUBCHEM 004014478.mol (via Jmol)
004014560.b3lyp_6-31g(d).inp

004014560.b3lyp_6-31g(d).qchem.inp (generated)

004014560.b3lyp_6-31g(d).gjf (generated)

004014560.b3lyp_6-31g(d).firefly.inp (generated)

004014560.b3lyp_6-31g(d).smash.inp (generated)

004014560.b3lyp_6-31g(d).nwchem.inp (generated) 004014560.b3lyp_6-31g(d).log.xz 004014560.td-b3lyp_6-31g+(d).inp 004014560.td-b3lyp_6-31g+(d).log.xz

004014560.td-b3lyp_6-31+g(d).qchem.inp (generated)

004014560.td-b3lyp_6-31+g(d).gjf (generated)

004014560.td-b3lyp_6-31+g(d).firefly.inp (generated)

004014560.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004014560.mol 004014560.PUBCHEM 004014560.mol (via Jmol)
004014619.b3lyp_6-31g(d).inp

004014619.b3lyp_6-31g(d).qchem.inp (generated)

004014619.b3lyp_6-31g(d).gjf (generated)

004014619.b3lyp_6-31g(d).firefly.inp (generated)

004014619.b3lyp_6-31g(d).smash.inp (generated)

004014619.b3lyp_6-31g(d).nwchem.inp (generated) 004014619.b3lyp_6-31g(d).log.xz 004014619.td-b3lyp_6-31g+(d).inp 004014619.td-b3lyp_6-31g+(d).log.xz

004014619.td-b3lyp_6-31+g(d).qchem.inp (generated)

004014619.td-b3lyp_6-31+g(d).gjf (generated)

004014619.td-b3lyp_6-31+g(d).firefly.inp (generated)

004014619.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004014619.mol 004014619.PUBCHEM 004014619.mol (via Jmol)
004014621.b3lyp_6-31g(d).inp

004014621.b3lyp_6-31g(d).qchem.inp (generated)

004014621.b3lyp_6-31g(d).gjf (generated)

004014621.b3lyp_6-31g(d).firefly.inp (generated)

004014621.b3lyp_6-31g(d).smash.inp (generated)

004014621.b3lyp_6-31g(d).nwchem.inp (generated) 004014621.b3lyp_6-31g(d).log.xz 004014621.td-b3lyp_6-31g+(d).inp 004014621.td-b3lyp_6-31g+(d).log.xz

004014621.td-b3lyp_6-31+g(d).qchem.inp (generated)

004014621.td-b3lyp_6-31+g(d).gjf (generated)

004014621.td-b3lyp_6-31+g(d).firefly.inp (generated)

004014621.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004014621.mol 004014621.PUBCHEM 004014621.mol (via Jmol)
004014624.b3lyp_6-31g(d).inp

004014624.b3lyp_6-31g(d).qchem.inp (generated)

004014624.b3lyp_6-31g(d).gjf (generated)

004014624.b3lyp_6-31g(d).firefly.inp (generated)

004014624.b3lyp_6-31g(d).smash.inp (generated)

004014624.b3lyp_6-31g(d).nwchem.inp (generated) 004014624.b3lyp_6-31g(d).log.xz 004014624.mol 004014624.PUBCHEM 004014624.mol (via Jmol)
004014730.b3lyp_6-31g(d).inp

004014730.b3lyp_6-31g(d).qchem.inp (generated)

004014730.b3lyp_6-31g(d).gjf (generated)

004014730.b3lyp_6-31g(d).firefly.inp (generated)

004014730.b3lyp_6-31g(d).smash.inp (generated)

004014730.b3lyp_6-31g(d).nwchem.inp (generated) 004014730.b3lyp_6-31g(d).log.xz 004014730.td-b3lyp_6-31g+(d).inp 004014730.td-b3lyp_6-31g+(d).log.xz

004014730.td-b3lyp_6-31+g(d).qchem.inp (generated)

004014730.td-b3lyp_6-31+g(d).gjf (generated)

004014730.td-b3lyp_6-31+g(d).firefly.inp (generated)

004014730.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004014730.mol 004014730.PUBCHEM 004014730.mol (via Jmol)
004014809.b3lyp_6-31g(d).inp

004014809.b3lyp_6-31g(d).qchem.inp (generated)

004014809.b3lyp_6-31g(d).gjf (generated)

004014809.b3lyp_6-31g(d).firefly.inp (generated)

004014809.b3lyp_6-31g(d).smash.inp (generated)

004014809.b3lyp_6-31g(d).nwchem.inp (generated) 004014809.b3lyp_6-31g(d).log.xz 004014809.td-b3lyp_6-31g+(d).inp 004014809.td-b3lyp_6-31g+(d).log.xz

004014809.td-b3lyp_6-31+g(d).qchem.inp (generated)

004014809.td-b3lyp_6-31+g(d).gjf (generated)

004014809.td-b3lyp_6-31+g(d).firefly.inp (generated)

004014809.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004014809.mol 004014809.PUBCHEM 004014809.mol (via Jmol)
004014943.b3lyp_6-31g(d).inp

004014943.b3lyp_6-31g(d).qchem.inp (generated)

004014943.b3lyp_6-31g(d).gjf (generated)

004014943.b3lyp_6-31g(d).firefly.inp (generated)

004014943.b3lyp_6-31g(d).smash.inp (generated)

004014943.b3lyp_6-31g(d).nwchem.inp (generated) 004014943.b3lyp_6-31g(d).log.xz 004014943.mol 004014943.PUBCHEM 004014943.mol (via Jmol)
004015067.b3lyp_6-31g(d).inp

004015067.b3lyp_6-31g(d).qchem.inp (generated)

004015067.b3lyp_6-31g(d).gjf (generated)

004015067.b3lyp_6-31g(d).firefly.inp (generated)

004015067.b3lyp_6-31g(d).smash.inp (generated)

004015067.b3lyp_6-31g(d).nwchem.inp (generated) 004015067.b3lyp_6-31g(d).log.xz 004015067.td-b3lyp_6-31g+(d).inp 004015067.td-b3lyp_6-31g+(d).log.xz

004015067.td-b3lyp_6-31+g(d).qchem.inp (generated)

004015067.td-b3lyp_6-31+g(d).gjf (generated)

004015067.td-b3lyp_6-31+g(d).firefly.inp (generated)

004015067.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004015067.mol 004015067.PUBCHEM 004015067.mol (via Jmol)
004015074.b3lyp_6-31g(d).inp

004015074.b3lyp_6-31g(d).qchem.inp (generated)

004015074.b3lyp_6-31g(d).gjf (generated)

004015074.b3lyp_6-31g(d).firefly.inp (generated)

004015074.b3lyp_6-31g(d).smash.inp (generated)

004015074.b3lyp_6-31g(d).nwchem.inp (generated) 004015074.b3lyp_6-31g(d).log.xz 004015074.td-b3lyp_6-31g+(d).inp 004015074.td-b3lyp_6-31g+(d).log.xz

004015074.td-b3lyp_6-31+g(d).qchem.inp (generated)

004015074.td-b3lyp_6-31+g(d).gjf (generated)

004015074.td-b3lyp_6-31+g(d).firefly.inp (generated)

004015074.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004015074.mol 004015074.PUBCHEM 004015074.mol (via Jmol)
004015075.b3lyp_6-31g(d).inp

004015075.b3lyp_6-31g(d).qchem.inp (generated)

004015075.b3lyp_6-31g(d).gjf (generated)

004015075.b3lyp_6-31g(d).firefly.inp (generated)

004015075.b3lyp_6-31g(d).smash.inp (generated)

004015075.b3lyp_6-31g(d).nwchem.inp (generated) 004015075.b3lyp_6-31g(d).log.xz 004015075.mol 004015075.PUBCHEM 004015075.mol (via Jmol)
004015124.b3lyp_6-31g(d).inp

004015124.b3lyp_6-31g(d).qchem.inp (generated)

004015124.b3lyp_6-31g(d).gjf (generated)

004015124.b3lyp_6-31g(d).firefly.inp (generated)

004015124.b3lyp_6-31g(d).smash.inp (generated)

004015124.b3lyp_6-31g(d).nwchem.inp (generated) 004015124.b3lyp_6-31g(d).log.xz 004015124.td-b3lyp_6-31g+(d).inp 004015124.td-b3lyp_6-31g+(d).log.xz

004015124.td-b3lyp_6-31+g(d).qchem.inp (generated)

004015124.td-b3lyp_6-31+g(d).gjf (generated)

004015124.td-b3lyp_6-31+g(d).firefly.inp (generated)

004015124.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004015124.mol 004015124.PUBCHEM 004015124.mol (via Jmol)
004015232.b3lyp_6-31g(d).inp

004015232.b3lyp_6-31g(d).qchem.inp (generated)

004015232.b3lyp_6-31g(d).gjf (generated)

004015232.b3lyp_6-31g(d).firefly.inp (generated)

004015232.b3lyp_6-31g(d).smash.inp (generated)

004015232.b3lyp_6-31g(d).nwchem.inp (generated) 004015232.b3lyp_6-31g(d).log.xz 004015232.td-b3lyp_6-31g+(d).inp 004015232.td-b3lyp_6-31g+(d).log.xz

004015232.td-b3lyp_6-31+g(d).qchem.inp (generated)

004015232.td-b3lyp_6-31+g(d).gjf (generated)

004015232.td-b3lyp_6-31+g(d).firefly.inp (generated)

004015232.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004015232.mol 004015232.PUBCHEM 004015232.mol (via Jmol)
004015234.b3lyp_6-31g(d).inp

004015234.b3lyp_6-31g(d).qchem.inp (generated)

004015234.b3lyp_6-31g(d).gjf (generated)

004015234.b3lyp_6-31g(d).firefly.inp (generated)

004015234.b3lyp_6-31g(d).smash.inp (generated)

004015234.b3lyp_6-31g(d).nwchem.inp (generated) 004015234.b3lyp_6-31g(d).log.xz 004015234.td-b3lyp_6-31g+(d).inp 004015234.td-b3lyp_6-31g+(d).log.xz

004015234.td-b3lyp_6-31+g(d).qchem.inp (generated)

004015234.td-b3lyp_6-31+g(d).gjf (generated)

004015234.td-b3lyp_6-31+g(d).firefly.inp (generated)

004015234.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004015234.mol 004015234.PUBCHEM 004015234.mol (via Jmol)
004015279.b3lyp_6-31g(d).inp

004015279.b3lyp_6-31g(d).qchem.inp (generated)

004015279.b3lyp_6-31g(d).gjf (generated)

004015279.b3lyp_6-31g(d).firefly.inp (generated)

004015279.b3lyp_6-31g(d).smash.inp (generated)

004015279.b3lyp_6-31g(d).nwchem.inp (generated) 004015279.b3lyp_6-31g(d).log.xz 004015279.td-b3lyp_6-31g+(d).inp 004015279.td-b3lyp_6-31g+(d).log.xz

004015279.td-b3lyp_6-31+g(d).qchem.inp (generated)

004015279.td-b3lyp_6-31+g(d).gjf (generated)

004015279.td-b3lyp_6-31+g(d).firefly.inp (generated)

004015279.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004015279.mol 004015279.PUBCHEM 004015279.mol (via Jmol)
004015291.b3lyp_6-31g(d).inp

004015291.b3lyp_6-31g(d).qchem.inp (generated)

004015291.b3lyp_6-31g(d).gjf (generated)

004015291.b3lyp_6-31g(d).firefly.inp (generated)

004015291.b3lyp_6-31g(d).smash.inp (generated)

004015291.b3lyp_6-31g(d).nwchem.inp (generated) 004015291.b3lyp_6-31g(d).log.xz 004015291.mol 004015291.PUBCHEM 004015291.mol (via Jmol)
004015296.b3lyp_6-31g(d).inp

004015296.b3lyp_6-31g(d).qchem.inp (generated)

004015296.b3lyp_6-31g(d).gjf (generated)

004015296.b3lyp_6-31g(d).firefly.inp (generated)

004015296.b3lyp_6-31g(d).smash.inp (generated)

004015296.b3lyp_6-31g(d).nwchem.inp (generated) 004015296.b3lyp_6-31g(d).log.xz 004015296.td-b3lyp_6-31g+(d).inp 004015296.td-b3lyp_6-31g+(d).log.xz

004015296.td-b3lyp_6-31+g(d).qchem.inp (generated)

004015296.td-b3lyp_6-31+g(d).gjf (generated)

004015296.td-b3lyp_6-31+g(d).firefly.inp (generated)

004015296.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004015296.mol 004015296.PUBCHEM 004015296.mol (via Jmol)
004015302.b3lyp_6-31g(d).inp

004015302.b3lyp_6-31g(d).qchem.inp (generated)

004015302.b3lyp_6-31g(d).gjf (generated)

004015302.b3lyp_6-31g(d).firefly.inp (generated)

004015302.b3lyp_6-31g(d).smash.inp (generated)

004015302.b3lyp_6-31g(d).nwchem.inp (generated) 004015302.b3lyp_6-31g(d).log.xz 004015302.td-b3lyp_6-31g+(d).inp 004015302.td-b3lyp_6-31g+(d).log.xz

004015302.td-b3lyp_6-31+g(d).qchem.inp (generated)

004015302.td-b3lyp_6-31+g(d).gjf (generated)

004015302.td-b3lyp_6-31+g(d).firefly.inp (generated)

004015302.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004015302.mol 004015302.PUBCHEM 004015302.mol (via Jmol)
004015327.b3lyp_6-31g(d).inp

004015327.b3lyp_6-31g(d).qchem.inp (generated)

004015327.b3lyp_6-31g(d).gjf (generated)

004015327.b3lyp_6-31g(d).firefly.inp (generated)

004015327.b3lyp_6-31g(d).smash.inp (generated)

004015327.b3lyp_6-31g(d).nwchem.inp (generated) 004015327.b3lyp_6-31g(d).log.xz 004015327.td-b3lyp_6-31g+(d).inp 004015327.td-b3lyp_6-31g+(d).log.xz

004015327.td-b3lyp_6-31+g(d).qchem.inp (generated)

004015327.td-b3lyp_6-31+g(d).gjf (generated)

004015327.td-b3lyp_6-31+g(d).firefly.inp (generated)

004015327.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004015327.mol 004015327.PUBCHEM 004015327.mol (via Jmol)
004015328.b3lyp_6-31g(d).inp

004015328.b3lyp_6-31g(d).qchem.inp (generated)

004015328.b3lyp_6-31g(d).gjf (generated)

004015328.b3lyp_6-31g(d).firefly.inp (generated)

004015328.b3lyp_6-31g(d).smash.inp (generated)

004015328.b3lyp_6-31g(d).nwchem.inp (generated) 004015328.b3lyp_6-31g(d).log.xz 004015328.td-b3lyp_6-31g+(d).inp 004015328.td-b3lyp_6-31g+(d).log.xz

004015328.td-b3lyp_6-31+g(d).qchem.inp (generated)

004015328.td-b3lyp_6-31+g(d).gjf (generated)

004015328.td-b3lyp_6-31+g(d).firefly.inp (generated)

004015328.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004015328.mol 004015328.PUBCHEM 004015328.mol (via Jmol)
004015329.b3lyp_6-31g(d).inp

004015329.b3lyp_6-31g(d).qchem.inp (generated)

004015329.b3lyp_6-31g(d).gjf (generated)

004015329.b3lyp_6-31g(d).firefly.inp (generated)

004015329.b3lyp_6-31g(d).smash.inp (generated)

004015329.b3lyp_6-31g(d).nwchem.inp (generated) 004015329.b3lyp_6-31g(d).log.xz 004015329.td-b3lyp_6-31g+(d).inp 004015329.td-b3lyp_6-31g+(d).log.xz

004015329.td-b3lyp_6-31+g(d).qchem.inp (generated)

004015329.td-b3lyp_6-31+g(d).gjf (generated)

004015329.td-b3lyp_6-31+g(d).firefly.inp (generated)

004015329.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004015329.mol 004015329.PUBCHEM 004015329.mol (via Jmol)
004015330.b3lyp_6-31g(d).inp

004015330.b3lyp_6-31g(d).qchem.inp (generated)

004015330.b3lyp_6-31g(d).gjf (generated)

004015330.b3lyp_6-31g(d).firefly.inp (generated)

004015330.b3lyp_6-31g(d).smash.inp (generated)

004015330.b3lyp_6-31g(d).nwchem.inp (generated) 004015330.b3lyp_6-31g(d).log.xz 004015330.mol 004015330.PUBCHEM 004015330.mol (via Jmol)
004015331.b3lyp_6-31g(d).inp

004015331.b3lyp_6-31g(d).qchem.inp (generated)

004015331.b3lyp_6-31g(d).gjf (generated)

004015331.b3lyp_6-31g(d).firefly.inp (generated)

004015331.b3lyp_6-31g(d).smash.inp (generated)

004015331.b3lyp_6-31g(d).nwchem.inp (generated) 004015331.b3lyp_6-31g(d).log.xz 004015331.mol 004015331.PUBCHEM 004015331.mol (via Jmol)
004015350.b3lyp_6-31g(d).inp

004015350.b3lyp_6-31g(d).qchem.inp (generated)

004015350.b3lyp_6-31g(d).gjf (generated)

004015350.b3lyp_6-31g(d).firefly.inp (generated)

004015350.b3lyp_6-31g(d).smash.inp (generated)

004015350.b3lyp_6-31g(d).nwchem.inp (generated) 004015350.b3lyp_6-31g(d).log.xz 004015350.td-b3lyp_6-31g+(d).inp 004015350.td-b3lyp_6-31g+(d).log.xz

004015350.td-b3lyp_6-31+g(d).qchem.inp (generated)

004015350.td-b3lyp_6-31+g(d).gjf (generated)

004015350.td-b3lyp_6-31+g(d).firefly.inp (generated)

004015350.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004015350.mol 004015350.PUBCHEM 004015350.mol (via Jmol)
004015426.b3lyp_6-31g(d).inp

004015426.b3lyp_6-31g(d).qchem.inp (generated)

004015426.b3lyp_6-31g(d).gjf (generated)

004015426.b3lyp_6-31g(d).firefly.inp (generated)

004015426.b3lyp_6-31g(d).smash.inp (generated)

004015426.b3lyp_6-31g(d).nwchem.inp (generated) 004015426.b3lyp_6-31g(d).log.xz 004015426.td-b3lyp_6-31g+(d).inp 004015426.td-b3lyp_6-31g+(d).log.xz

004015426.td-b3lyp_6-31+g(d).qchem.inp (generated)

004015426.td-b3lyp_6-31+g(d).gjf (generated)

004015426.td-b3lyp_6-31+g(d).firefly.inp (generated)

004015426.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004015426.mol 004015426.PUBCHEM 004015426.mol (via Jmol)
004015447.b3lyp_6-31g(d).inp

004015447.b3lyp_6-31g(d).qchem.inp (generated)

004015447.b3lyp_6-31g(d).gjf (generated)

004015447.b3lyp_6-31g(d).firefly.inp (generated)

004015447.b3lyp_6-31g(d).smash.inp (generated)

004015447.b3lyp_6-31g(d).nwchem.inp (generated) 004015447.b3lyp_6-31g(d).log.xz 004015447.td-b3lyp_6-31g+(d).inp 004015447.td-b3lyp_6-31g+(d).log.xz

004015447.td-b3lyp_6-31+g(d).qchem.inp (generated)

004015447.td-b3lyp_6-31+g(d).gjf (generated)

004015447.td-b3lyp_6-31+g(d).firefly.inp (generated)

004015447.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004015447.mol 004015447.PUBCHEM 004015447.mol (via Jmol)
004015607.b3lyp_6-31g(d).inp

004015607.b3lyp_6-31g(d).qchem.inp (generated)

004015607.b3lyp_6-31g(d).gjf (generated)

004015607.b3lyp_6-31g(d).firefly.inp (generated)

004015607.b3lyp_6-31g(d).smash.inp (generated)

004015607.b3lyp_6-31g(d).nwchem.inp (generated) 004015607.b3lyp_6-31g(d).log.xz 004015607.td-b3lyp_6-31g+(d).inp 004015607.td-b3lyp_6-31g+(d).log.xz

004015607.td-b3lyp_6-31+g(d).qchem.inp (generated)

004015607.td-b3lyp_6-31+g(d).gjf (generated)

004015607.td-b3lyp_6-31+g(d).firefly.inp (generated)

004015607.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004015607.mol 004015607.PUBCHEM 004015607.mol (via Jmol)
004015617.b3lyp_6-31g(d).inp

004015617.b3lyp_6-31g(d).qchem.inp (generated)

004015617.b3lyp_6-31g(d).gjf (generated)

004015617.b3lyp_6-31g(d).firefly.inp (generated)

004015617.b3lyp_6-31g(d).smash.inp (generated)

004015617.b3lyp_6-31g(d).nwchem.inp (generated) 004015617.b3lyp_6-31g(d).log.xz 004015617.td-b3lyp_6-31g+(d).inp 004015617.td-b3lyp_6-31g+(d).log.xz

004015617.td-b3lyp_6-31+g(d).qchem.inp (generated)

004015617.td-b3lyp_6-31+g(d).gjf (generated)

004015617.td-b3lyp_6-31+g(d).firefly.inp (generated)

004015617.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004015617.mol 004015617.PUBCHEM 004015617.mol (via Jmol)
004015646.b3lyp_6-31g(d).inp

004015646.b3lyp_6-31g(d).qchem.inp (generated)

004015646.b3lyp_6-31g(d).gjf (generated)

004015646.b3lyp_6-31g(d).firefly.inp (generated)

004015646.b3lyp_6-31g(d).smash.inp (generated)

004015646.b3lyp_6-31g(d).nwchem.inp (generated) 004015646.b3lyp_6-31g(d).log.xz 004015646.mol 004015646.PUBCHEM 004015646.mol (via Jmol)
004015692.b3lyp_6-31g(d).inp

004015692.b3lyp_6-31g(d).qchem.inp (generated)

004015692.b3lyp_6-31g(d).gjf (generated)

004015692.b3lyp_6-31g(d).firefly.inp (generated)

004015692.b3lyp_6-31g(d).smash.inp (generated)

004015692.b3lyp_6-31g(d).nwchem.inp (generated) 004015692.b3lyp_6-31g(d).log.xz 004015692.td-b3lyp_6-31g+(d).inp 004015692.td-b3lyp_6-31g+(d).log.xz

004015692.td-b3lyp_6-31+g(d).qchem.inp (generated)

004015692.td-b3lyp_6-31+g(d).gjf (generated)

004015692.td-b3lyp_6-31+g(d).firefly.inp (generated)

004015692.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004015692.mol 004015692.PUBCHEM 004015692.mol (via Jmol)
004015709.b3lyp_6-31g(d).inp

004015709.b3lyp_6-31g(d).qchem.inp (generated)

004015709.b3lyp_6-31g(d).gjf (generated)

004015709.b3lyp_6-31g(d).firefly.inp (generated)

004015709.b3lyp_6-31g(d).smash.inp (generated)

004015709.b3lyp_6-31g(d).nwchem.inp (generated) 004015709.b3lyp_6-31g(d).log.xz 004015709.td-b3lyp_6-31g+(d).inp 004015709.td-b3lyp_6-31g+(d).log.xz

004015709.td-b3lyp_6-31+g(d).qchem.inp (generated)

004015709.td-b3lyp_6-31+g(d).gjf (generated)

004015709.td-b3lyp_6-31+g(d).firefly.inp (generated)

004015709.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004015709.mol 004015709.PUBCHEM 004015709.mol (via Jmol)
004015721.b3lyp_6-31g(d).inp

004015721.b3lyp_6-31g(d).qchem.inp (generated)

004015721.b3lyp_6-31g(d).gjf (generated)

004015721.b3lyp_6-31g(d).firefly.inp (generated)

004015721.b3lyp_6-31g(d).smash.inp (generated)

004015721.b3lyp_6-31g(d).nwchem.inp (generated) 004015721.b3lyp_6-31g(d).log.xz 004015721.td-b3lyp_6-31g+(d).inp 004015721.td-b3lyp_6-31g+(d).log.xz

004015721.td-b3lyp_6-31+g(d).qchem.inp (generated)

004015721.td-b3lyp_6-31+g(d).gjf (generated)

004015721.td-b3lyp_6-31+g(d).firefly.inp (generated)

004015721.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004015721.mol 004015721.PUBCHEM 004015721.mol (via Jmol)
004015728.b3lyp_6-31g(d).inp

004015728.b3lyp_6-31g(d).qchem.inp (generated)

004015728.b3lyp_6-31g(d).gjf (generated)

004015728.b3lyp_6-31g(d).firefly.inp (generated)

004015728.b3lyp_6-31g(d).smash.inp (generated)

004015728.b3lyp_6-31g(d).nwchem.inp (generated) 004015728.b3lyp_6-31g(d).log.xz 004015728.td-b3lyp_6-31g+(d).inp 004015728.td-b3lyp_6-31g+(d).log.xz

004015728.td-b3lyp_6-31+g(d).qchem.inp (generated)

004015728.td-b3lyp_6-31+g(d).gjf (generated)

004015728.td-b3lyp_6-31+g(d).firefly.inp (generated)

004015728.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004015728.mol 004015728.PUBCHEM 004015728.mol (via Jmol)
004015815.b3lyp_6-31g(d).inp

004015815.b3lyp_6-31g(d).qchem.inp (generated)

004015815.b3lyp_6-31g(d).gjf (generated)

004015815.b3lyp_6-31g(d).firefly.inp (generated)

004015815.b3lyp_6-31g(d).smash.inp (generated)

004015815.b3lyp_6-31g(d).nwchem.inp (generated) 004015815.b3lyp_6-31g(d).log.xz 004015815.td-b3lyp_6-31g+(d).inp 004015815.td-b3lyp_6-31g+(d).log.xz

004015815.td-b3lyp_6-31+g(d).qchem.inp (generated)

004015815.td-b3lyp_6-31+g(d).gjf (generated)

004015815.td-b3lyp_6-31+g(d).firefly.inp (generated)

004015815.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004015815.mol 004015815.PUBCHEM 004015815.mol (via Jmol)
004015816.b3lyp_6-31g(d).inp

004015816.b3lyp_6-31g(d).qchem.inp (generated)

004015816.b3lyp_6-31g(d).gjf (generated)

004015816.b3lyp_6-31g(d).firefly.inp (generated)

004015816.b3lyp_6-31g(d).smash.inp (generated)

004015816.b3lyp_6-31g(d).nwchem.inp (generated) 004015816.b3lyp_6-31g(d).log.xz 004015816.td-b3lyp_6-31g+(d).inp 004015816.td-b3lyp_6-31g+(d).log.xz

004015816.td-b3lyp_6-31+g(d).qchem.inp (generated)

004015816.td-b3lyp_6-31+g(d).gjf (generated)

004015816.td-b3lyp_6-31+g(d).firefly.inp (generated)

004015816.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004015816.mol 004015816.PUBCHEM 004015816.mol (via Jmol)
004015817.b3lyp_6-31g(d).inp

004015817.b3lyp_6-31g(d).qchem.inp (generated)

004015817.b3lyp_6-31g(d).gjf (generated)

004015817.b3lyp_6-31g(d).firefly.inp (generated)

004015817.b3lyp_6-31g(d).smash.inp (generated)

004015817.b3lyp_6-31g(d).nwchem.inp (generated) 004015817.b3lyp_6-31g(d).log.xz 004015817.td-b3lyp_6-31g+(d).inp 004015817.td-b3lyp_6-31g+(d).log.xz

004015817.td-b3lyp_6-31+g(d).qchem.inp (generated)

004015817.td-b3lyp_6-31+g(d).gjf (generated)

004015817.td-b3lyp_6-31+g(d).firefly.inp (generated)

004015817.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004015817.mol 004015817.PUBCHEM 004015817.mol (via Jmol)
004015818.b3lyp_6-31g(d).inp

004015818.b3lyp_6-31g(d).qchem.inp (generated)

004015818.b3lyp_6-31g(d).gjf (generated)

004015818.b3lyp_6-31g(d).firefly.inp (generated)

004015818.b3lyp_6-31g(d).smash.inp (generated)

004015818.b3lyp_6-31g(d).nwchem.inp (generated) 004015818.b3lyp_6-31g(d).log.xz 004015818.td-b3lyp_6-31g+(d).inp 004015818.td-b3lyp_6-31g+(d).log.xz

004015818.td-b3lyp_6-31+g(d).qchem.inp (generated)

004015818.td-b3lyp_6-31+g(d).gjf (generated)

004015818.td-b3lyp_6-31+g(d).firefly.inp (generated)

004015818.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004015818.mol 004015818.PUBCHEM 004015818.mol (via Jmol)
004015849.b3lyp_6-31g(d).inp

004015849.b3lyp_6-31g(d).qchem.inp (generated)

004015849.b3lyp_6-31g(d).gjf (generated)

004015849.b3lyp_6-31g(d).firefly.inp (generated)

004015849.b3lyp_6-31g(d).smash.inp (generated)

004015849.b3lyp_6-31g(d).nwchem.inp (generated) 004015849.b3lyp_6-31g(d).log.xz 004015849.mol 004015849.PUBCHEM 004015849.mol (via Jmol)
004015911.b3lyp_6-31g(d).inp

004015911.b3lyp_6-31g(d).qchem.inp (generated)

004015911.b3lyp_6-31g(d).gjf (generated)

004015911.b3lyp_6-31g(d).firefly.inp (generated)

004015911.b3lyp_6-31g(d).smash.inp (generated)

004015911.b3lyp_6-31g(d).nwchem.inp (generated) 004015911.b3lyp_6-31g(d).log.xz 004015911.td-b3lyp_6-31g+(d).inp 004015911.td-b3lyp_6-31g+(d).log.xz

004015911.td-b3lyp_6-31+g(d).qchem.inp (generated)

004015911.td-b3lyp_6-31+g(d).gjf (generated)

004015911.td-b3lyp_6-31+g(d).firefly.inp (generated)

004015911.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004015911.mol 004015911.PUBCHEM 004015911.mol (via Jmol)
004015985.b3lyp_6-31g(d).inp

004015985.b3lyp_6-31g(d).qchem.inp (generated)

004015985.b3lyp_6-31g(d).gjf (generated)

004015985.b3lyp_6-31g(d).firefly.inp (generated)

004015985.b3lyp_6-31g(d).smash.inp (generated)

004015985.b3lyp_6-31g(d).nwchem.inp (generated) 004015985.b3lyp_6-31g(d).log.xz 004015985.mol 004015985.PUBCHEM 004015985.mol (via Jmol)
004016017.b3lyp_6-31g(d).inp

004016017.b3lyp_6-31g(d).qchem.inp (generated)

004016017.b3lyp_6-31g(d).gjf (generated)

004016017.b3lyp_6-31g(d).firefly.inp (generated)

004016017.b3lyp_6-31g(d).smash.inp (generated)

004016017.b3lyp_6-31g(d).nwchem.inp (generated) 004016017.b3lyp_6-31g(d).log.xz 004016017.td-b3lyp_6-31g+(d).inp 004016017.td-b3lyp_6-31g+(d).log.xz

004016017.td-b3lyp_6-31+g(d).qchem.inp (generated)

004016017.td-b3lyp_6-31+g(d).gjf (generated)

004016017.td-b3lyp_6-31+g(d).firefly.inp (generated)

004016017.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004016017.mol 004016017.PUBCHEM 004016017.mol (via Jmol)
004016097.b3lyp_6-31g(d).inp

004016097.b3lyp_6-31g(d).qchem.inp (generated)

004016097.b3lyp_6-31g(d).gjf (generated)

004016097.b3lyp_6-31g(d).firefly.inp (generated)

004016097.b3lyp_6-31g(d).smash.inp (generated)

004016097.b3lyp_6-31g(d).nwchem.inp (generated) 004016097.b3lyp_6-31g(d).log.xz 004016097.td-b3lyp_6-31g+(d).inp 004016097.td-b3lyp_6-31g+(d).log.xz

004016097.td-b3lyp_6-31+g(d).qchem.inp (generated)

004016097.td-b3lyp_6-31+g(d).gjf (generated)

004016097.td-b3lyp_6-31+g(d).firefly.inp (generated)

004016097.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004016097.mol 004016097.PUBCHEM 004016097.mol (via Jmol)
004016098.b3lyp_6-31g(d).inp

004016098.b3lyp_6-31g(d).qchem.inp (generated)

004016098.b3lyp_6-31g(d).gjf (generated)

004016098.b3lyp_6-31g(d).firefly.inp (generated)

004016098.b3lyp_6-31g(d).smash.inp (generated)

004016098.b3lyp_6-31g(d).nwchem.inp (generated) 004016098.b3lyp_6-31g(d).log.xz 004016098.td-b3lyp_6-31g+(d).inp 004016098.td-b3lyp_6-31g+(d).log.xz

004016098.td-b3lyp_6-31+g(d).qchem.inp (generated)

004016098.td-b3lyp_6-31+g(d).gjf (generated)

004016098.td-b3lyp_6-31+g(d).firefly.inp (generated)

004016098.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004016098.mol 004016098.PUBCHEM 004016098.mol (via Jmol)
004016121.b3lyp_6-31g(d).inp

004016121.b3lyp_6-31g(d).qchem.inp (generated)

004016121.b3lyp_6-31g(d).gjf (generated)

004016121.b3lyp_6-31g(d).firefly.inp (generated)

004016121.b3lyp_6-31g(d).smash.inp (generated)

004016121.b3lyp_6-31g(d).nwchem.inp (generated) 004016121.b3lyp_6-31g(d).log.xz 004016121.td-b3lyp_6-31g+(d).inp 004016121.td-b3lyp_6-31g+(d).log.xz

004016121.td-b3lyp_6-31+g(d).qchem.inp (generated)

004016121.td-b3lyp_6-31+g(d).gjf (generated)

004016121.td-b3lyp_6-31+g(d).firefly.inp (generated)

004016121.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004016121.mol 004016121.PUBCHEM 004016121.mol (via Jmol)
004016122.b3lyp_6-31g(d).inp

004016122.b3lyp_6-31g(d).qchem.inp (generated)

004016122.b3lyp_6-31g(d).gjf (generated)

004016122.b3lyp_6-31g(d).firefly.inp (generated)

004016122.b3lyp_6-31g(d).smash.inp (generated)

004016122.b3lyp_6-31g(d).nwchem.inp (generated) 004016122.b3lyp_6-31g(d).log.xz 004016122.td-b3lyp_6-31g+(d).inp 004016122.td-b3lyp_6-31g+(d).log.xz

004016122.td-b3lyp_6-31+g(d).qchem.inp (generated)

004016122.td-b3lyp_6-31+g(d).gjf (generated)

004016122.td-b3lyp_6-31+g(d).firefly.inp (generated)

004016122.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004016122.mol 004016122.PUBCHEM 004016122.mol (via Jmol)
004016207.b3lyp_6-31g(d).inp

004016207.b3lyp_6-31g(d).qchem.inp (generated)

004016207.b3lyp_6-31g(d).gjf (generated)

004016207.b3lyp_6-31g(d).firefly.inp (generated)

004016207.b3lyp_6-31g(d).smash.inp (generated)

004016207.b3lyp_6-31g(d).nwchem.inp (generated) 004016207.b3lyp_6-31g(d).log.xz 004016207.mol 004016207.PUBCHEM 004016207.mol (via Jmol)
004016221.b3lyp_6-31g(d).inp

004016221.b3lyp_6-31g(d).qchem.inp (generated)

004016221.b3lyp_6-31g(d).gjf (generated)

004016221.b3lyp_6-31g(d).firefly.inp (generated)

004016221.b3lyp_6-31g(d).smash.inp (generated)

004016221.b3lyp_6-31g(d).nwchem.inp (generated) 004016221.b3lyp_6-31g(d).log.xz 004016221.td-b3lyp_6-31g+(d).inp 004016221.td-b3lyp_6-31g+(d).log.xz

004016221.td-b3lyp_6-31+g(d).qchem.inp (generated)

004016221.td-b3lyp_6-31+g(d).gjf (generated)

004016221.td-b3lyp_6-31+g(d).firefly.inp (generated)

004016221.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004016221.mol 004016221.PUBCHEM 004016221.mol (via Jmol)
004016222.b3lyp_6-31g(d).inp

004016222.b3lyp_6-31g(d).qchem.inp (generated)

004016222.b3lyp_6-31g(d).gjf (generated)

004016222.b3lyp_6-31g(d).firefly.inp (generated)

004016222.b3lyp_6-31g(d).smash.inp (generated)

004016222.b3lyp_6-31g(d).nwchem.inp (generated) 004016222.b3lyp_6-31g(d).log.xz 004016222.td-b3lyp_6-31g+(d).inp 004016222.td-b3lyp_6-31g+(d).log.xz

004016222.td-b3lyp_6-31+g(d).qchem.inp (generated)

004016222.td-b3lyp_6-31+g(d).gjf (generated)

004016222.td-b3lyp_6-31+g(d).firefly.inp (generated)

004016222.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004016222.mol 004016222.PUBCHEM 004016222.mol (via Jmol)
004016236.b3lyp_6-31g(d).inp

004016236.b3lyp_6-31g(d).qchem.inp (generated)

004016236.b3lyp_6-31g(d).gjf (generated)

004016236.b3lyp_6-31g(d).firefly.inp (generated)

004016236.b3lyp_6-31g(d).smash.inp (generated)

004016236.b3lyp_6-31g(d).nwchem.inp (generated) 004016236.b3lyp_6-31g(d).log.xz 004016236.td-b3lyp_6-31g+(d).inp 004016236.td-b3lyp_6-31g+(d).log.xz

004016236.td-b3lyp_6-31+g(d).qchem.inp (generated)

004016236.td-b3lyp_6-31+g(d).gjf (generated)

004016236.td-b3lyp_6-31+g(d).firefly.inp (generated)

004016236.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004016236.mol 004016236.PUBCHEM 004016236.mol (via Jmol)
004016237.b3lyp_6-31g(d).inp

004016237.b3lyp_6-31g(d).qchem.inp (generated)

004016237.b3lyp_6-31g(d).gjf (generated)

004016237.b3lyp_6-31g(d).firefly.inp (generated)

004016237.b3lyp_6-31g(d).smash.inp (generated)

004016237.b3lyp_6-31g(d).nwchem.inp (generated) 004016237.b3lyp_6-31g(d).log.xz 004016237.td-b3lyp_6-31g+(d).inp 004016237.td-b3lyp_6-31g+(d).log.xz

004016237.td-b3lyp_6-31+g(d).qchem.inp (generated)

004016237.td-b3lyp_6-31+g(d).gjf (generated)

004016237.td-b3lyp_6-31+g(d).firefly.inp (generated)

004016237.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004016237.mol 004016237.PUBCHEM 004016237.mol (via Jmol)
004016252.b3lyp_6-31g(d).inp

004016252.b3lyp_6-31g(d).qchem.inp (generated)

004016252.b3lyp_6-31g(d).gjf (generated)

004016252.b3lyp_6-31g(d).firefly.inp (generated)

004016252.b3lyp_6-31g(d).smash.inp (generated)

004016252.b3lyp_6-31g(d).nwchem.inp (generated) 004016252.b3lyp_6-31g(d).log.xz 004016252.mol 004016252.PUBCHEM 004016252.mol (via Jmol)
004016253.b3lyp_6-31g(d).inp

004016253.b3lyp_6-31g(d).qchem.inp (generated)

004016253.b3lyp_6-31g(d).gjf (generated)

004016253.b3lyp_6-31g(d).firefly.inp (generated)

004016253.b3lyp_6-31g(d).smash.inp (generated)

004016253.b3lyp_6-31g(d).nwchem.inp (generated) 004016253.b3lyp_6-31g(d).log.xz 004016253.td-b3lyp_6-31g+(d).inp 004016253.td-b3lyp_6-31g+(d).log.xz

004016253.td-b3lyp_6-31+g(d).qchem.inp (generated)

004016253.td-b3lyp_6-31+g(d).gjf (generated)

004016253.td-b3lyp_6-31+g(d).firefly.inp (generated)

004016253.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004016253.mol 004016253.PUBCHEM 004016253.mol (via Jmol)
004016254.b3lyp_6-31g(d).inp

004016254.b3lyp_6-31g(d).qchem.inp (generated)

004016254.b3lyp_6-31g(d).gjf (generated)

004016254.b3lyp_6-31g(d).firefly.inp (generated)

004016254.b3lyp_6-31g(d).smash.inp (generated)

004016254.b3lyp_6-31g(d).nwchem.inp (generated) 004016254.b3lyp_6-31g(d).log.xz 004016254.td-b3lyp_6-31g+(d).inp 004016254.td-b3lyp_6-31g+(d).log.xz

004016254.td-b3lyp_6-31+g(d).qchem.inp (generated)

004016254.td-b3lyp_6-31+g(d).gjf (generated)

004016254.td-b3lyp_6-31+g(d).firefly.inp (generated)

004016254.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004016254.mol 004016254.PUBCHEM 004016254.mol (via Jmol)
004016316.b3lyp_6-31g(d).inp

004016316.b3lyp_6-31g(d).qchem.inp (generated)

004016316.b3lyp_6-31g(d).gjf (generated)

004016316.b3lyp_6-31g(d).firefly.inp (generated)

004016316.b3lyp_6-31g(d).smash.inp (generated)

004016316.b3lyp_6-31g(d).nwchem.inp (generated) 004016316.b3lyp_6-31g(d).log.xz 004016316.td-b3lyp_6-31g+(d).inp 004016316.td-b3lyp_6-31g+(d).log.xz

004016316.td-b3lyp_6-31+g(d).qchem.inp (generated)

004016316.td-b3lyp_6-31+g(d).gjf (generated)

004016316.td-b3lyp_6-31+g(d).firefly.inp (generated)

004016316.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004016316.mol 004016316.PUBCHEM 004016316.mol (via Jmol)
004016318.b3lyp_6-31g(d).inp

004016318.b3lyp_6-31g(d).qchem.inp (generated)

004016318.b3lyp_6-31g(d).gjf (generated)

004016318.b3lyp_6-31g(d).firefly.inp (generated)

004016318.b3lyp_6-31g(d).smash.inp (generated)

004016318.b3lyp_6-31g(d).nwchem.inp (generated) 004016318.b3lyp_6-31g(d).log.xz 004016318.td-b3lyp_6-31g+(d).inp 004016318.td-b3lyp_6-31g+(d).log.xz

004016318.td-b3lyp_6-31+g(d).qchem.inp (generated)

004016318.td-b3lyp_6-31+g(d).gjf (generated)

004016318.td-b3lyp_6-31+g(d).firefly.inp (generated)

004016318.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004016318.mol 004016318.PUBCHEM 004016318.mol (via Jmol)
004016400.b3lyp_6-31g(d).inp

004016400.b3lyp_6-31g(d).qchem.inp (generated)

004016400.b3lyp_6-31g(d).gjf (generated)

004016400.b3lyp_6-31g(d).firefly.inp (generated)

004016400.b3lyp_6-31g(d).smash.inp (generated)

004016400.b3lyp_6-31g(d).nwchem.inp (generated) 004016400.b3lyp_6-31g(d).log.xz 004016400.td-b3lyp_6-31g+(d).inp 004016400.td-b3lyp_6-31g+(d).log.xz

004016400.td-b3lyp_6-31+g(d).qchem.inp (generated)

004016400.td-b3lyp_6-31+g(d).gjf (generated)

004016400.td-b3lyp_6-31+g(d).firefly.inp (generated)

004016400.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004016400.mol 004016400.PUBCHEM 004016400.mol (via Jmol)
004016435.b3lyp_6-31g(d).inp

004016435.b3lyp_6-31g(d).qchem.inp (generated)

004016435.b3lyp_6-31g(d).gjf (generated)

004016435.b3lyp_6-31g(d).firefly.inp (generated)

004016435.b3lyp_6-31g(d).smash.inp (generated)

004016435.b3lyp_6-31g(d).nwchem.inp (generated) 004016435.b3lyp_6-31g(d).log.xz 004016435.td-b3lyp_6-31g+(d).inp 004016435.td-b3lyp_6-31g+(d).log.xz

004016435.td-b3lyp_6-31+g(d).qchem.inp (generated)

004016435.td-b3lyp_6-31+g(d).gjf (generated)

004016435.td-b3lyp_6-31+g(d).firefly.inp (generated)

004016435.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004016435.mol 004016435.PUBCHEM 004016435.mol (via Jmol)
004016437.b3lyp_6-31g(d).inp

004016437.b3lyp_6-31g(d).qchem.inp (generated)

004016437.b3lyp_6-31g(d).gjf (generated)

004016437.b3lyp_6-31g(d).firefly.inp (generated)

004016437.b3lyp_6-31g(d).smash.inp (generated)

004016437.b3lyp_6-31g(d).nwchem.inp (generated) 004016437.b3lyp_6-31g(d).log.xz 004016437.td-b3lyp_6-31g+(d).inp 004016437.td-b3lyp_6-31g+(d).log.xz

004016437.td-b3lyp_6-31+g(d).qchem.inp (generated)

004016437.td-b3lyp_6-31+g(d).gjf (generated)

004016437.td-b3lyp_6-31+g(d).firefly.inp (generated)

004016437.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004016437.mol 004016437.PUBCHEM 004016437.mol (via Jmol)
004016475.b3lyp_6-31g(d).inp

004016475.b3lyp_6-31g(d).qchem.inp (generated)

004016475.b3lyp_6-31g(d).gjf (generated)

004016475.b3lyp_6-31g(d).firefly.inp (generated)

004016475.b3lyp_6-31g(d).smash.inp (generated)

004016475.b3lyp_6-31g(d).nwchem.inp (generated) 004016475.b3lyp_6-31g(d).log.xz 004016475.td-b3lyp_6-31g+(d).inp 004016475.td-b3lyp_6-31g+(d).log.xz

004016475.td-b3lyp_6-31+g(d).qchem.inp (generated)

004016475.td-b3lyp_6-31+g(d).gjf (generated)

004016475.td-b3lyp_6-31+g(d).firefly.inp (generated)

004016475.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004016475.mol 004016475.PUBCHEM 004016475.mol (via Jmol)
004016504.b3lyp_6-31g(d).inp

004016504.b3lyp_6-31g(d).qchem.inp (generated)

004016504.b3lyp_6-31g(d).gjf (generated)

004016504.b3lyp_6-31g(d).firefly.inp (generated)

004016504.b3lyp_6-31g(d).smash.inp (generated)

004016504.b3lyp_6-31g(d).nwchem.inp (generated) 004016504.b3lyp_6-31g(d).log.xz 004016504.td-b3lyp_6-31g+(d).inp 004016504.td-b3lyp_6-31g+(d).log.xz

004016504.td-b3lyp_6-31+g(d).qchem.inp (generated)

004016504.td-b3lyp_6-31+g(d).gjf (generated)

004016504.td-b3lyp_6-31+g(d).firefly.inp (generated)

004016504.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004016504.mol 004016504.PUBCHEM 004016504.mol (via Jmol)
004016505.b3lyp_6-31g(d).inp

004016505.b3lyp_6-31g(d).qchem.inp (generated)

004016505.b3lyp_6-31g(d).gjf (generated)

004016505.b3lyp_6-31g(d).firefly.inp (generated)

004016505.b3lyp_6-31g(d).smash.inp (generated)

004016505.b3lyp_6-31g(d).nwchem.inp (generated) 004016505.b3lyp_6-31g(d).log.xz 004016505.td-b3lyp_6-31g+(d).inp 004016505.td-b3lyp_6-31g+(d).log.xz

004016505.td-b3lyp_6-31+g(d).qchem.inp (generated)

004016505.td-b3lyp_6-31+g(d).gjf (generated)

004016505.td-b3lyp_6-31+g(d).firefly.inp (generated)

004016505.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004016505.mol 004016505.PUBCHEM 004016505.mol (via Jmol)
004016670.b3lyp_6-31g(d).inp

004016670.b3lyp_6-31g(d).qchem.inp (generated)

004016670.b3lyp_6-31g(d).gjf (generated)

004016670.b3lyp_6-31g(d).firefly.inp (generated)

004016670.b3lyp_6-31g(d).smash.inp (generated)

004016670.b3lyp_6-31g(d).nwchem.inp (generated) 004016670.b3lyp_6-31g(d).log.xz 004016670.td-b3lyp_6-31g+(d).inp 004016670.td-b3lyp_6-31g+(d).log.xz

004016670.td-b3lyp_6-31+g(d).qchem.inp (generated)

004016670.td-b3lyp_6-31+g(d).gjf (generated)

004016670.td-b3lyp_6-31+g(d).firefly.inp (generated)

004016670.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004016670.mol 004016670.PUBCHEM 004016670.mol (via Jmol)
004016708.b3lyp_6-31g(d).inp

004016708.b3lyp_6-31g(d).qchem.inp (generated)

004016708.b3lyp_6-31g(d).gjf (generated)

004016708.b3lyp_6-31g(d).firefly.inp (generated)

004016708.b3lyp_6-31g(d).smash.inp (generated)

004016708.b3lyp_6-31g(d).nwchem.inp (generated) 004016708.b3lyp_6-31g(d).log.xz 004016708.td-b3lyp_6-31g+(d).inp 004016708.td-b3lyp_6-31g+(d).log.xz

004016708.td-b3lyp_6-31+g(d).qchem.inp (generated)

004016708.td-b3lyp_6-31+g(d).gjf (generated)

004016708.td-b3lyp_6-31+g(d).firefly.inp (generated)

004016708.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004016708.mol 004016708.PUBCHEM 004016708.mol (via Jmol)
004016750.b3lyp_6-31g(d).inp

004016750.b3lyp_6-31g(d).qchem.inp (generated)

004016750.b3lyp_6-31g(d).gjf (generated)

004016750.b3lyp_6-31g(d).firefly.inp (generated)

004016750.b3lyp_6-31g(d).smash.inp (generated)

004016750.b3lyp_6-31g(d).nwchem.inp (generated) 004016750.b3lyp_6-31g(d).log.xz 004016750.td-b3lyp_6-31g+(d).inp 004016750.td-b3lyp_6-31g+(d).log.xz

004016750.td-b3lyp_6-31+g(d).qchem.inp (generated)

004016750.td-b3lyp_6-31+g(d).gjf (generated)

004016750.td-b3lyp_6-31+g(d).firefly.inp (generated)

004016750.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004016750.mol 004016750.PUBCHEM 004016750.mol (via Jmol)
004016807.b3lyp_6-31g(d).inp

004016807.b3lyp_6-31g(d).qchem.inp (generated)

004016807.b3lyp_6-31g(d).gjf (generated)

004016807.b3lyp_6-31g(d).firefly.inp (generated)

004016807.b3lyp_6-31g(d).smash.inp (generated)

004016807.b3lyp_6-31g(d).nwchem.inp (generated) 004016807.b3lyp_6-31g(d).log.xz 004016807.td-b3lyp_6-31g+(d).inp 004016807.td-b3lyp_6-31g+(d).log.xz

004016807.td-b3lyp_6-31+g(d).qchem.inp (generated)

004016807.td-b3lyp_6-31+g(d).gjf (generated)

004016807.td-b3lyp_6-31+g(d).firefly.inp (generated)

004016807.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004016807.mol 004016807.PUBCHEM 004016807.mol (via Jmol)
004016863.b3lyp_6-31g(d).inp

004016863.b3lyp_6-31g(d).qchem.inp (generated)

004016863.b3lyp_6-31g(d).gjf (generated)

004016863.b3lyp_6-31g(d).firefly.inp (generated)

004016863.b3lyp_6-31g(d).smash.inp (generated)

004016863.b3lyp_6-31g(d).nwchem.inp (generated) 004016863.b3lyp_6-31g(d).log.xz 004016863.td-b3lyp_6-31g+(d).inp 004016863.td-b3lyp_6-31g+(d).log.xz

004016863.td-b3lyp_6-31+g(d).qchem.inp (generated)

004016863.td-b3lyp_6-31+g(d).gjf (generated)

004016863.td-b3lyp_6-31+g(d).firefly.inp (generated)

004016863.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004016863.mol 004016863.PUBCHEM 004016863.mol (via Jmol)
004016866.b3lyp_6-31g(d).inp

004016866.b3lyp_6-31g(d).qchem.inp (generated)

004016866.b3lyp_6-31g(d).gjf (generated)

004016866.b3lyp_6-31g(d).firefly.inp (generated)

004016866.b3lyp_6-31g(d).smash.inp (generated)

004016866.b3lyp_6-31g(d).nwchem.inp (generated) 004016866.b3lyp_6-31g(d).log.xz 004016866.td-b3lyp_6-31g+(d).inp 004016866.td-b3lyp_6-31g+(d).log.xz

004016866.td-b3lyp_6-31+g(d).qchem.inp (generated)

004016866.td-b3lyp_6-31+g(d).gjf (generated)

004016866.td-b3lyp_6-31+g(d).firefly.inp (generated)

004016866.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004016866.mol 004016866.PUBCHEM 004016866.mol (via Jmol)
004016867.b3lyp_6-31g(d).inp

004016867.b3lyp_6-31g(d).qchem.inp (generated)

004016867.b3lyp_6-31g(d).gjf (generated)

004016867.b3lyp_6-31g(d).firefly.inp (generated)

004016867.b3lyp_6-31g(d).smash.inp (generated)

004016867.b3lyp_6-31g(d).nwchem.inp (generated) 004016867.b3lyp_6-31g(d).log.xz 004016867.td-b3lyp_6-31g+(d).inp 004016867.td-b3lyp_6-31g+(d).log.xz

004016867.td-b3lyp_6-31+g(d).qchem.inp (generated)

004016867.td-b3lyp_6-31+g(d).gjf (generated)

004016867.td-b3lyp_6-31+g(d).firefly.inp (generated)

004016867.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004016867.mol 004016867.PUBCHEM 004016867.mol (via Jmol)
004016925.b3lyp_6-31g(d).inp

004016925.b3lyp_6-31g(d).qchem.inp (generated)

004016925.b3lyp_6-31g(d).gjf (generated)

004016925.b3lyp_6-31g(d).firefly.inp (generated)

004016925.b3lyp_6-31g(d).smash.inp (generated)

004016925.b3lyp_6-31g(d).nwchem.inp (generated) 004016925.b3lyp_6-31g(d).log.xz 004016925.td-b3lyp_6-31g+(d).inp 004016925.td-b3lyp_6-31g+(d).log.xz

004016925.td-b3lyp_6-31+g(d).qchem.inp (generated)

004016925.td-b3lyp_6-31+g(d).gjf (generated)

004016925.td-b3lyp_6-31+g(d).firefly.inp (generated)

004016925.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004016925.mol 004016925.PUBCHEM 004016925.mol (via Jmol)
004016986.b3lyp_6-31g(d).inp

004016986.b3lyp_6-31g(d).qchem.inp (generated)

004016986.b3lyp_6-31g(d).gjf (generated)

004016986.b3lyp_6-31g(d).firefly.inp (generated)

004016986.b3lyp_6-31g(d).smash.inp (generated)

004016986.b3lyp_6-31g(d).nwchem.inp (generated) 004016986.b3lyp_6-31g(d).log.xz 004016986.td-b3lyp_6-31g+(d).inp 004016986.td-b3lyp_6-31g+(d).log.xz

004016986.td-b3lyp_6-31+g(d).qchem.inp (generated)

004016986.td-b3lyp_6-31+g(d).gjf (generated)

004016986.td-b3lyp_6-31+g(d).firefly.inp (generated)

004016986.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004016986.mol 004016986.PUBCHEM 004016986.mol (via Jmol)
004016996.b3lyp_6-31g(d).inp

004016996.b3lyp_6-31g(d).qchem.inp (generated)

004016996.b3lyp_6-31g(d).gjf (generated)

004016996.b3lyp_6-31g(d).firefly.inp (generated)

004016996.b3lyp_6-31g(d).smash.inp (generated)

004016996.b3lyp_6-31g(d).nwchem.inp (generated) 004016996.b3lyp_6-31g(d).log.xz 004016996.td-b3lyp_6-31g+(d).inp 004016996.td-b3lyp_6-31g+(d).log.xz

004016996.td-b3lyp_6-31+g(d).qchem.inp (generated)

004016996.td-b3lyp_6-31+g(d).gjf (generated)

004016996.td-b3lyp_6-31+g(d).firefly.inp (generated)

004016996.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004016996.mol 004016996.PUBCHEM 004016996.mol (via Jmol)
004017061.b3lyp_6-31g(d).inp

004017061.b3lyp_6-31g(d).qchem.inp (generated)

004017061.b3lyp_6-31g(d).gjf (generated)

004017061.b3lyp_6-31g(d).firefly.inp (generated)

004017061.b3lyp_6-31g(d).smash.inp (generated)

004017061.b3lyp_6-31g(d).nwchem.inp (generated) 004017061.b3lyp_6-31g(d).log.xz 004017061.td-b3lyp_6-31g+(d).inp 004017061.td-b3lyp_6-31g+(d).log.xz

004017061.td-b3lyp_6-31+g(d).qchem.inp (generated)

004017061.td-b3lyp_6-31+g(d).gjf (generated)

004017061.td-b3lyp_6-31+g(d).firefly.inp (generated)

004017061.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004017061.mol 004017061.PUBCHEM 004017061.mol (via Jmol)
004017097.b3lyp_6-31g(d).inp

004017097.b3lyp_6-31g(d).qchem.inp (generated)

004017097.b3lyp_6-31g(d).gjf (generated)

004017097.b3lyp_6-31g(d).firefly.inp (generated)

004017097.b3lyp_6-31g(d).smash.inp (generated)

004017097.b3lyp_6-31g(d).nwchem.inp (generated) 004017097.b3lyp_6-31g(d).log.xz 004017097.td-b3lyp_6-31g+(d).inp 004017097.td-b3lyp_6-31g+(d).log.xz

004017097.td-b3lyp_6-31+g(d).qchem.inp (generated)

004017097.td-b3lyp_6-31+g(d).gjf (generated)

004017097.td-b3lyp_6-31+g(d).firefly.inp (generated)

004017097.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004017097.mol 004017097.PUBCHEM 004017097.mol (via Jmol)
004017136.b3lyp_6-31g(d).inp

004017136.b3lyp_6-31g(d).qchem.inp (generated)

004017136.b3lyp_6-31g(d).gjf (generated)

004017136.b3lyp_6-31g(d).firefly.inp (generated)

004017136.b3lyp_6-31g(d).smash.inp (generated)

004017136.b3lyp_6-31g(d).nwchem.inp (generated) 004017136.b3lyp_6-31g(d).log.xz 004017136.mol 004017136.PUBCHEM 004017136.mol (via Jmol)
004017144.b3lyp_6-31g(d).inp

004017144.b3lyp_6-31g(d).qchem.inp (generated)

004017144.b3lyp_6-31g(d).gjf (generated)

004017144.b3lyp_6-31g(d).firefly.inp (generated)

004017144.b3lyp_6-31g(d).smash.inp (generated)

004017144.b3lyp_6-31g(d).nwchem.inp (generated) 004017144.b3lyp_6-31g(d).log.xz 004017144.mol 004017144.PUBCHEM 004017144.mol (via Jmol)
004017228.b3lyp_6-31g(d).inp

004017228.b3lyp_6-31g(d).qchem.inp (generated)

004017228.b3lyp_6-31g(d).gjf (generated)

004017228.b3lyp_6-31g(d).firefly.inp (generated)

004017228.b3lyp_6-31g(d).smash.inp (generated)

004017228.b3lyp_6-31g(d).nwchem.inp (generated) 004017228.b3lyp_6-31g(d).log.xz 004017228.mol 004017228.PUBCHEM 004017228.mol (via Jmol)
004017261.b3lyp_6-31g(d).inp

004017261.b3lyp_6-31g(d).qchem.inp (generated)

004017261.b3lyp_6-31g(d).gjf (generated)

004017261.b3lyp_6-31g(d).firefly.inp (generated)

004017261.b3lyp_6-31g(d).smash.inp (generated)

004017261.b3lyp_6-31g(d).nwchem.inp (generated) 004017261.b3lyp_6-31g(d).log.xz 004017261.mol 004017261.PUBCHEM 004017261.mol (via Jmol)
004017269.b3lyp_6-31g(d).inp

004017269.b3lyp_6-31g(d).qchem.inp (generated)

004017269.b3lyp_6-31g(d).gjf (generated)

004017269.b3lyp_6-31g(d).firefly.inp (generated)

004017269.b3lyp_6-31g(d).smash.inp (generated)

004017269.b3lyp_6-31g(d).nwchem.inp (generated) 004017269.b3lyp_6-31g(d).log.xz 004017269.td-b3lyp_6-31g+(d).inp 004017269.td-b3lyp_6-31g+(d).log.xz

004017269.td-b3lyp_6-31+g(d).qchem.inp (generated)

004017269.td-b3lyp_6-31+g(d).gjf (generated)

004017269.td-b3lyp_6-31+g(d).firefly.inp (generated)

004017269.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004017269.mol 004017269.PUBCHEM 004017269.mol (via Jmol)
004017286.b3lyp_6-31g(d).inp

004017286.b3lyp_6-31g(d).qchem.inp (generated)

004017286.b3lyp_6-31g(d).gjf (generated)

004017286.b3lyp_6-31g(d).firefly.inp (generated)

004017286.b3lyp_6-31g(d).smash.inp (generated)

004017286.b3lyp_6-31g(d).nwchem.inp (generated) 004017286.b3lyp_6-31g(d).log.xz 004017286.td-b3lyp_6-31g+(d).inp 004017286.td-b3lyp_6-31g+(d).log.xz

004017286.td-b3lyp_6-31+g(d).qchem.inp (generated)

004017286.td-b3lyp_6-31+g(d).gjf (generated)

004017286.td-b3lyp_6-31+g(d).firefly.inp (generated)

004017286.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004017286.mol 004017286.PUBCHEM 004017286.mol (via Jmol)
004017307.b3lyp_6-31g(d).inp

004017307.b3lyp_6-31g(d).qchem.inp (generated)

004017307.b3lyp_6-31g(d).gjf (generated)

004017307.b3lyp_6-31g(d).firefly.inp (generated)

004017307.b3lyp_6-31g(d).smash.inp (generated)

004017307.b3lyp_6-31g(d).nwchem.inp (generated) 004017307.b3lyp_6-31g(d).log.xz 004017307.td-b3lyp_6-31g+(d).inp 004017307.td-b3lyp_6-31g+(d).log.xz

004017307.td-b3lyp_6-31+g(d).qchem.inp (generated)

004017307.td-b3lyp_6-31+g(d).gjf (generated)

004017307.td-b3lyp_6-31+g(d).firefly.inp (generated)

004017307.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004017307.mol 004017307.PUBCHEM 004017307.mol (via Jmol)
004017380.b3lyp_6-31g(d).inp

004017380.b3lyp_6-31g(d).qchem.inp (generated)

004017380.b3lyp_6-31g(d).gjf (generated)

004017380.b3lyp_6-31g(d).firefly.inp (generated)

004017380.b3lyp_6-31g(d).smash.inp (generated)

004017380.b3lyp_6-31g(d).nwchem.inp (generated) 004017380.b3lyp_6-31g(d).log.xz 004017380.td-b3lyp_6-31g+(d).inp 004017380.td-b3lyp_6-31g+(d).log.xz

004017380.td-b3lyp_6-31+g(d).qchem.inp (generated)

004017380.td-b3lyp_6-31+g(d).gjf (generated)

004017380.td-b3lyp_6-31+g(d).firefly.inp (generated)

004017380.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004017380.mol 004017380.PUBCHEM 004017380.mol (via Jmol)
004017407.b3lyp_6-31g(d).inp

004017407.b3lyp_6-31g(d).qchem.inp (generated)

004017407.b3lyp_6-31g(d).gjf (generated)

004017407.b3lyp_6-31g(d).firefly.inp (generated)

004017407.b3lyp_6-31g(d).smash.inp (generated)

004017407.b3lyp_6-31g(d).nwchem.inp (generated) 004017407.b3lyp_6-31g(d).log.xz 004017407.td-b3lyp_6-31g+(d).inp 004017407.td-b3lyp_6-31g+(d).log.xz

004017407.td-b3lyp_6-31+g(d).qchem.inp (generated)

004017407.td-b3lyp_6-31+g(d).gjf (generated)

004017407.td-b3lyp_6-31+g(d).firefly.inp (generated)

004017407.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004017407.mol 004017407.PUBCHEM 004017407.mol (via Jmol)
004017474.b3lyp_6-31g(d).inp

004017474.b3lyp_6-31g(d).qchem.inp (generated)

004017474.b3lyp_6-31g(d).gjf (generated)

004017474.b3lyp_6-31g(d).firefly.inp (generated)

004017474.b3lyp_6-31g(d).smash.inp (generated)

004017474.b3lyp_6-31g(d).nwchem.inp (generated) 004017474.b3lyp_6-31g(d).log.xz 004017474.td-b3lyp_6-31g+(d).inp 004017474.td-b3lyp_6-31g+(d).log.xz

004017474.td-b3lyp_6-31+g(d).qchem.inp (generated)

004017474.td-b3lyp_6-31+g(d).gjf (generated)

004017474.td-b3lyp_6-31+g(d).firefly.inp (generated)

004017474.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004017474.mol 004017474.PUBCHEM 004017474.mol (via Jmol)
004017521.b3lyp_6-31g(d).inp

004017521.b3lyp_6-31g(d).qchem.inp (generated)

004017521.b3lyp_6-31g(d).gjf (generated)

004017521.b3lyp_6-31g(d).firefly.inp (generated)

004017521.b3lyp_6-31g(d).smash.inp (generated)

004017521.b3lyp_6-31g(d).nwchem.inp (generated) 004017521.b3lyp_6-31g(d).log.xz 004017521.td-b3lyp_6-31g+(d).inp 004017521.td-b3lyp_6-31g+(d).log.xz

004017521.td-b3lyp_6-31+g(d).qchem.inp (generated)

004017521.td-b3lyp_6-31+g(d).gjf (generated)

004017521.td-b3lyp_6-31+g(d).firefly.inp (generated)

004017521.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004017521.mol 004017521.PUBCHEM 004017521.mol (via Jmol)
004017555.b3lyp_6-31g(d).inp

004017555.b3lyp_6-31g(d).qchem.inp (generated)

004017555.b3lyp_6-31g(d).gjf (generated)

004017555.b3lyp_6-31g(d).firefly.inp (generated)

004017555.b3lyp_6-31g(d).smash.inp (generated)

004017555.b3lyp_6-31g(d).nwchem.inp (generated) 004017555.b3lyp_6-31g(d).log.xz 004017555.td-b3lyp_6-31g+(d).inp 004017555.td-b3lyp_6-31g+(d).log.xz

004017555.td-b3lyp_6-31+g(d).qchem.inp (generated)

004017555.td-b3lyp_6-31+g(d).gjf (generated)

004017555.td-b3lyp_6-31+g(d).firefly.inp (generated)

004017555.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004017555.mol 004017555.PUBCHEM 004017555.mol (via Jmol)
004017566.b3lyp_6-31g(d).inp

004017566.b3lyp_6-31g(d).qchem.inp (generated)

004017566.b3lyp_6-31g(d).gjf (generated)

004017566.b3lyp_6-31g(d).firefly.inp (generated)

004017566.b3lyp_6-31g(d).smash.inp (generated)

004017566.b3lyp_6-31g(d).nwchem.inp (generated) 004017566.b3lyp_6-31g(d).log.xz 004017566.td-b3lyp_6-31g+(d).inp 004017566.td-b3lyp_6-31g+(d).log.xz

004017566.td-b3lyp_6-31+g(d).qchem.inp (generated)

004017566.td-b3lyp_6-31+g(d).gjf (generated)

004017566.td-b3lyp_6-31+g(d).firefly.inp (generated)

004017566.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004017566.mol 004017566.PUBCHEM 004017566.mol (via Jmol)
004017608.b3lyp_6-31g(d).inp

004017608.b3lyp_6-31g(d).qchem.inp (generated)

004017608.b3lyp_6-31g(d).gjf (generated)

004017608.b3lyp_6-31g(d).firefly.inp (generated)

004017608.b3lyp_6-31g(d).smash.inp (generated)

004017608.b3lyp_6-31g(d).nwchem.inp (generated) 004017608.b3lyp_6-31g(d).log.xz 004017608.td-b3lyp_6-31g+(d).inp 004017608.td-b3lyp_6-31g+(d).log.xz

004017608.td-b3lyp_6-31+g(d).qchem.inp (generated)

004017608.td-b3lyp_6-31+g(d).gjf (generated)

004017608.td-b3lyp_6-31+g(d).firefly.inp (generated)

004017608.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004017608.mol 004017608.PUBCHEM 004017608.mol (via Jmol)
004017634.b3lyp_6-31g(d).inp

004017634.b3lyp_6-31g(d).qchem.inp (generated)

004017634.b3lyp_6-31g(d).gjf (generated)

004017634.b3lyp_6-31g(d).firefly.inp (generated)

004017634.b3lyp_6-31g(d).smash.inp (generated)

004017634.b3lyp_6-31g(d).nwchem.inp (generated) 004017634.b3lyp_6-31g(d).log.xz 004017634.mol 004017634.PUBCHEM 004017634.mol (via Jmol)
004017637.b3lyp_6-31g(d).inp

004017637.b3lyp_6-31g(d).qchem.inp (generated)

004017637.b3lyp_6-31g(d).gjf (generated)

004017637.b3lyp_6-31g(d).firefly.inp (generated)

004017637.b3lyp_6-31g(d).smash.inp (generated)

004017637.b3lyp_6-31g(d).nwchem.inp (generated) 004017637.b3lyp_6-31g(d).log.xz 004017637.td-b3lyp_6-31g+(d).inp 004017637.td-b3lyp_6-31g+(d).log.xz

004017637.td-b3lyp_6-31+g(d).qchem.inp (generated)

004017637.td-b3lyp_6-31+g(d).gjf (generated)

004017637.td-b3lyp_6-31+g(d).firefly.inp (generated)

004017637.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004017637.mol 004017637.PUBCHEM 004017637.mol (via Jmol)
004017668.b3lyp_6-31g(d).inp

004017668.b3lyp_6-31g(d).qchem.inp (generated)

004017668.b3lyp_6-31g(d).gjf (generated)

004017668.b3lyp_6-31g(d).firefly.inp (generated)

004017668.b3lyp_6-31g(d).smash.inp (generated)

004017668.b3lyp_6-31g(d).nwchem.inp (generated) 004017668.b3lyp_6-31g(d).log.xz 004017668.mol 004017668.PUBCHEM 004017668.mol (via Jmol)
004017694.b3lyp_6-31g(d).inp

004017694.b3lyp_6-31g(d).qchem.inp (generated)

004017694.b3lyp_6-31g(d).gjf (generated)

004017694.b3lyp_6-31g(d).firefly.inp (generated)

004017694.b3lyp_6-31g(d).smash.inp (generated)

004017694.b3lyp_6-31g(d).nwchem.inp (generated) 004017694.b3lyp_6-31g(d).log.xz 004017694.td-b3lyp_6-31g+(d).inp 004017694.td-b3lyp_6-31g+(d).log.xz

004017694.td-b3lyp_6-31+g(d).qchem.inp (generated)

004017694.td-b3lyp_6-31+g(d).gjf (generated)

004017694.td-b3lyp_6-31+g(d).firefly.inp (generated)

004017694.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004017694.mol 004017694.PUBCHEM 004017694.mol (via Jmol)
004017727.b3lyp_6-31g(d).inp

004017727.b3lyp_6-31g(d).qchem.inp (generated)

004017727.b3lyp_6-31g(d).gjf (generated)

004017727.b3lyp_6-31g(d).firefly.inp (generated)

004017727.b3lyp_6-31g(d).smash.inp (generated)

004017727.b3lyp_6-31g(d).nwchem.inp (generated) 004017727.b3lyp_6-31g(d).log.xz 004017727.td-b3lyp_6-31g+(d).inp 004017727.td-b3lyp_6-31g+(d).log.xz

004017727.td-b3lyp_6-31+g(d).qchem.inp (generated)

004017727.td-b3lyp_6-31+g(d).gjf (generated)

004017727.td-b3lyp_6-31+g(d).firefly.inp (generated)

004017727.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004017727.mol 004017727.PUBCHEM 004017727.mol (via Jmol)
004017731.b3lyp_6-31g(d).inp

004017731.b3lyp_6-31g(d).qchem.inp (generated)

004017731.b3lyp_6-31g(d).gjf (generated)

004017731.b3lyp_6-31g(d).firefly.inp (generated)

004017731.b3lyp_6-31g(d).smash.inp (generated)

004017731.b3lyp_6-31g(d).nwchem.inp (generated) 004017731.b3lyp_6-31g(d).log.xz 004017731.mol 004017731.PUBCHEM 004017731.mol (via Jmol)
004017830.b3lyp_6-31g(d).inp

004017830.b3lyp_6-31g(d).qchem.inp (generated)

004017830.b3lyp_6-31g(d).gjf (generated)

004017830.b3lyp_6-31g(d).firefly.inp (generated)

004017830.b3lyp_6-31g(d).smash.inp (generated)

004017830.b3lyp_6-31g(d).nwchem.inp (generated) 004017830.b3lyp_6-31g(d).log.xz 004017830.mol 004017830.PUBCHEM 004017830.mol (via Jmol)
004017918.b3lyp_6-31g(d).inp

004017918.b3lyp_6-31g(d).qchem.inp (generated)

004017918.b3lyp_6-31g(d).gjf (generated)

004017918.b3lyp_6-31g(d).firefly.inp (generated)

004017918.b3lyp_6-31g(d).smash.inp (generated)

004017918.b3lyp_6-31g(d).nwchem.inp (generated) 004017918.b3lyp_6-31g(d).log.xz 004017918.mol 004017918.PUBCHEM 004017918.mol (via Jmol)
004018143.b3lyp_6-31g(d).inp

004018143.b3lyp_6-31g(d).qchem.inp (generated)

004018143.b3lyp_6-31g(d).gjf (generated)

004018143.b3lyp_6-31g(d).firefly.inp (generated)

004018143.b3lyp_6-31g(d).smash.inp (generated)

004018143.b3lyp_6-31g(d).nwchem.inp (generated) 004018143.b3lyp_6-31g(d).log.xz 004018143.td-b3lyp_6-31g+(d).inp 004018143.td-b3lyp_6-31g+(d).log.xz

004018143.td-b3lyp_6-31+g(d).qchem.inp (generated)

004018143.td-b3lyp_6-31+g(d).gjf (generated)

004018143.td-b3lyp_6-31+g(d).firefly.inp (generated)

004018143.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004018143.mol 004018143.PUBCHEM 004018143.mol (via Jmol)
004018207.b3lyp_6-31g(d).inp

004018207.b3lyp_6-31g(d).qchem.inp (generated)

004018207.b3lyp_6-31g(d).gjf (generated)

004018207.b3lyp_6-31g(d).firefly.inp (generated)

004018207.b3lyp_6-31g(d).smash.inp (generated)

004018207.b3lyp_6-31g(d).nwchem.inp (generated) 004018207.b3lyp_6-31g(d).log.xz 004018207.td-b3lyp_6-31g+(d).inp 004018207.td-b3lyp_6-31g+(d).log.xz

004018207.td-b3lyp_6-31+g(d).qchem.inp (generated)

004018207.td-b3lyp_6-31+g(d).gjf (generated)

004018207.td-b3lyp_6-31+g(d).firefly.inp (generated)

004018207.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004018207.mol 004018207.PUBCHEM 004018207.mol (via Jmol)
004018208.b3lyp_6-31g(d).inp

004018208.b3lyp_6-31g(d).qchem.inp (generated)

004018208.b3lyp_6-31g(d).gjf (generated)

004018208.b3lyp_6-31g(d).firefly.inp (generated)

004018208.b3lyp_6-31g(d).smash.inp (generated)

004018208.b3lyp_6-31g(d).nwchem.inp (generated) 004018208.b3lyp_6-31g(d).log.xz 004018208.td-b3lyp_6-31g+(d).inp 004018208.td-b3lyp_6-31g+(d).log.xz

004018208.td-b3lyp_6-31+g(d).qchem.inp (generated)

004018208.td-b3lyp_6-31+g(d).gjf (generated)

004018208.td-b3lyp_6-31+g(d).firefly.inp (generated)

004018208.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004018208.mol 004018208.PUBCHEM 004018208.mol (via Jmol)
004018230.b3lyp_6-31g(d).inp

004018230.b3lyp_6-31g(d).qchem.inp (generated)

004018230.b3lyp_6-31g(d).gjf (generated)

004018230.b3lyp_6-31g(d).firefly.inp (generated)

004018230.b3lyp_6-31g(d).smash.inp (generated)

004018230.b3lyp_6-31g(d).nwchem.inp (generated) 004018230.b3lyp_6-31g(d).log.xz 004018230.td-b3lyp_6-31g+(d).inp 004018230.td-b3lyp_6-31g+(d).log.xz

004018230.td-b3lyp_6-31+g(d).qchem.inp (generated)

004018230.td-b3lyp_6-31+g(d).gjf (generated)

004018230.td-b3lyp_6-31+g(d).firefly.inp (generated)

004018230.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004018230.mol 004018230.PUBCHEM 004018230.mol (via Jmol)
004018334.b3lyp_6-31g(d).inp

004018334.b3lyp_6-31g(d).qchem.inp (generated)

004018334.b3lyp_6-31g(d).gjf (generated)

004018334.b3lyp_6-31g(d).firefly.inp (generated)

004018334.b3lyp_6-31g(d).smash.inp (generated)

004018334.b3lyp_6-31g(d).nwchem.inp (generated) 004018334.b3lyp_6-31g(d).log.xz 004018334.td-b3lyp_6-31g+(d).inp 004018334.td-b3lyp_6-31g+(d).log.xz

004018334.td-b3lyp_6-31+g(d).qchem.inp (generated)

004018334.td-b3lyp_6-31+g(d).gjf (generated)

004018334.td-b3lyp_6-31+g(d).firefly.inp (generated)

004018334.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004018334.mol 004018334.PUBCHEM 004018334.mol (via Jmol)
004018371.b3lyp_6-31g(d).inp

004018371.b3lyp_6-31g(d).qchem.inp (generated)

004018371.b3lyp_6-31g(d).gjf (generated)

004018371.b3lyp_6-31g(d).firefly.inp (generated)

004018371.b3lyp_6-31g(d).smash.inp (generated)

004018371.b3lyp_6-31g(d).nwchem.inp (generated) 004018371.b3lyp_6-31g(d).log.xz 004018371.td-b3lyp_6-31g+(d).inp 004018371.td-b3lyp_6-31g+(d).log.xz

004018371.td-b3lyp_6-31+g(d).qchem.inp (generated)

004018371.td-b3lyp_6-31+g(d).gjf (generated)

004018371.td-b3lyp_6-31+g(d).firefly.inp (generated)

004018371.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004018371.mol 004018371.PUBCHEM 004018371.mol (via Jmol)
004018454.b3lyp_6-31g(d).inp

004018454.b3lyp_6-31g(d).qchem.inp (generated)

004018454.b3lyp_6-31g(d).gjf (generated)

004018454.b3lyp_6-31g(d).firefly.inp (generated)

004018454.b3lyp_6-31g(d).smash.inp (generated)

004018454.b3lyp_6-31g(d).nwchem.inp (generated) 004018454.b3lyp_6-31g(d).log.xz 004018454.mol 004018454.PUBCHEM 004018454.mol (via Jmol)
004018517.b3lyp_6-31g(d).inp

004018517.b3lyp_6-31g(d).qchem.inp (generated)

004018517.b3lyp_6-31g(d).gjf (generated)

004018517.b3lyp_6-31g(d).firefly.inp (generated)

004018517.b3lyp_6-31g(d).smash.inp (generated)

004018517.b3lyp_6-31g(d).nwchem.inp (generated) 004018517.b3lyp_6-31g(d).log.xz 004018517.mol 004018517.PUBCHEM 004018517.mol (via Jmol)
004018541.b3lyp_6-31g(d).inp

004018541.b3lyp_6-31g(d).qchem.inp (generated)

004018541.b3lyp_6-31g(d).gjf (generated)

004018541.b3lyp_6-31g(d).firefly.inp (generated)

004018541.b3lyp_6-31g(d).smash.inp (generated)

004018541.b3lyp_6-31g(d).nwchem.inp (generated) 004018541.b3lyp_6-31g(d).log.xz 004018541.td-b3lyp_6-31g+(d).inp 004018541.td-b3lyp_6-31g+(d).log.xz

004018541.td-b3lyp_6-31+g(d).qchem.inp (generated)

004018541.td-b3lyp_6-31+g(d).gjf (generated)

004018541.td-b3lyp_6-31+g(d).firefly.inp (generated)

004018541.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004018541.mol 004018541.PUBCHEM 004018541.mol (via Jmol)
004018571.b3lyp_6-31g(d).inp

004018571.b3lyp_6-31g(d).qchem.inp (generated)

004018571.b3lyp_6-31g(d).gjf (generated)

004018571.b3lyp_6-31g(d).firefly.inp (generated)

004018571.b3lyp_6-31g(d).smash.inp (generated)

004018571.b3lyp_6-31g(d).nwchem.inp (generated) 004018571.b3lyp_6-31g(d).log.xz 004018571.td-b3lyp_6-31g+(d).inp 004018571.td-b3lyp_6-31g+(d).log.xz

004018571.td-b3lyp_6-31+g(d).qchem.inp (generated)

004018571.td-b3lyp_6-31+g(d).gjf (generated)

004018571.td-b3lyp_6-31+g(d).firefly.inp (generated)

004018571.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004018571.mol 004018571.PUBCHEM 004018571.mol (via Jmol)
004018582.b3lyp_6-31g(d).inp

004018582.b3lyp_6-31g(d).qchem.inp (generated)

004018582.b3lyp_6-31g(d).gjf (generated)

004018582.b3lyp_6-31g(d).firefly.inp (generated)

004018582.b3lyp_6-31g(d).smash.inp (generated)

004018582.b3lyp_6-31g(d).nwchem.inp (generated) 004018582.b3lyp_6-31g(d).log.xz 004018582.td-b3lyp_6-31g+(d).inp 004018582.td-b3lyp_6-31g+(d).log.xz

004018582.td-b3lyp_6-31+g(d).qchem.inp (generated)

004018582.td-b3lyp_6-31+g(d).gjf (generated)

004018582.td-b3lyp_6-31+g(d).firefly.inp (generated)

004018582.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004018582.mol 004018582.PUBCHEM 004018582.mol (via Jmol)
004018590.b3lyp_6-31g(d).inp

004018590.b3lyp_6-31g(d).qchem.inp (generated)

004018590.b3lyp_6-31g(d).gjf (generated)

004018590.b3lyp_6-31g(d).firefly.inp (generated)

004018590.b3lyp_6-31g(d).smash.inp (generated)

004018590.b3lyp_6-31g(d).nwchem.inp (generated) 004018590.b3lyp_6-31g(d).log.xz 004018590.mol 004018590.PUBCHEM 004018590.mol (via Jmol)
004018661.b3lyp_6-31g(d).inp

004018661.b3lyp_6-31g(d).qchem.inp (generated)

004018661.b3lyp_6-31g(d).gjf (generated)

004018661.b3lyp_6-31g(d).firefly.inp (generated)

004018661.b3lyp_6-31g(d).smash.inp (generated)

004018661.b3lyp_6-31g(d).nwchem.inp (generated) 004018661.b3lyp_6-31g(d).log.xz 004018661.td-b3lyp_6-31g+(d).inp 004018661.td-b3lyp_6-31g+(d).log.xz

004018661.td-b3lyp_6-31+g(d).qchem.inp (generated)

004018661.td-b3lyp_6-31+g(d).gjf (generated)

004018661.td-b3lyp_6-31+g(d).firefly.inp (generated)

004018661.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004018661.mol 004018661.PUBCHEM 004018661.mol (via Jmol)
004018806.b3lyp_6-31g(d).inp

004018806.b3lyp_6-31g(d).qchem.inp (generated)

004018806.b3lyp_6-31g(d).gjf (generated)

004018806.b3lyp_6-31g(d).firefly.inp (generated)

004018806.b3lyp_6-31g(d).smash.inp (generated)

004018806.b3lyp_6-31g(d).nwchem.inp (generated) 004018806.b3lyp_6-31g(d).log.xz 004018806.td-b3lyp_6-31g+(d).inp 004018806.td-b3lyp_6-31g+(d).log.xz

004018806.td-b3lyp_6-31+g(d).qchem.inp (generated)

004018806.td-b3lyp_6-31+g(d).gjf (generated)

004018806.td-b3lyp_6-31+g(d).firefly.inp (generated)

004018806.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004018806.mol 004018806.PUBCHEM 004018806.mol (via Jmol)
004018833.b3lyp_6-31g(d).inp

004018833.b3lyp_6-31g(d).qchem.inp (generated)

004018833.b3lyp_6-31g(d).gjf (generated)

004018833.b3lyp_6-31g(d).firefly.inp (generated)

004018833.b3lyp_6-31g(d).smash.inp (generated)

004018833.b3lyp_6-31g(d).nwchem.inp (generated) 004018833.b3lyp_6-31g(d).log.xz 004018833.td-b3lyp_6-31g+(d).inp 004018833.td-b3lyp_6-31g+(d).log.xz

004018833.td-b3lyp_6-31+g(d).qchem.inp (generated)

004018833.td-b3lyp_6-31+g(d).gjf (generated)

004018833.td-b3lyp_6-31+g(d).firefly.inp (generated)

004018833.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004018833.mol 004018833.PUBCHEM 004018833.mol (via Jmol)
004018837.b3lyp_6-31g(d).inp

004018837.b3lyp_6-31g(d).qchem.inp (generated)

004018837.b3lyp_6-31g(d).gjf (generated)

004018837.b3lyp_6-31g(d).firefly.inp (generated)

004018837.b3lyp_6-31g(d).smash.inp (generated)

004018837.b3lyp_6-31g(d).nwchem.inp (generated) 004018837.b3lyp_6-31g(d).log.xz 004018837.td-b3lyp_6-31g+(d).inp 004018837.td-b3lyp_6-31g+(d).log.xz

004018837.td-b3lyp_6-31+g(d).qchem.inp (generated)

004018837.td-b3lyp_6-31+g(d).gjf (generated)

004018837.td-b3lyp_6-31+g(d).firefly.inp (generated)

004018837.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004018837.mol 004018837.PUBCHEM 004018837.mol (via Jmol)
004018912.b3lyp_6-31g(d).inp

004018912.b3lyp_6-31g(d).qchem.inp (generated)

004018912.b3lyp_6-31g(d).gjf (generated)

004018912.b3lyp_6-31g(d).firefly.inp (generated)

004018912.b3lyp_6-31g(d).smash.inp (generated)

004018912.b3lyp_6-31g(d).nwchem.inp (generated) 004018912.b3lyp_6-31g(d).log.xz 004018912.mol 004018912.PUBCHEM 004018912.mol (via Jmol)
004018959.b3lyp_6-31g(d).inp

004018959.b3lyp_6-31g(d).qchem.inp (generated)

004018959.b3lyp_6-31g(d).gjf (generated)

004018959.b3lyp_6-31g(d).firefly.inp (generated)

004018959.b3lyp_6-31g(d).smash.inp (generated)

004018959.b3lyp_6-31g(d).nwchem.inp (generated) 004018959.b3lyp_6-31g(d).log.xz 004018959.td-b3lyp_6-31g+(d).inp 004018959.td-b3lyp_6-31g+(d).log.xz

004018959.td-b3lyp_6-31+g(d).qchem.inp (generated)

004018959.td-b3lyp_6-31+g(d).gjf (generated)

004018959.td-b3lyp_6-31+g(d).firefly.inp (generated)

004018959.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004018959.mol 004018959.PUBCHEM 004018959.mol (via Jmol)
004018988.b3lyp_6-31g(d).inp

004018988.b3lyp_6-31g(d).qchem.inp (generated)

004018988.b3lyp_6-31g(d).gjf (generated)

004018988.b3lyp_6-31g(d).firefly.inp (generated)

004018988.b3lyp_6-31g(d).smash.inp (generated)

004018988.b3lyp_6-31g(d).nwchem.inp (generated) 004018988.b3lyp_6-31g(d).log.xz 004018988.mol 004018988.PUBCHEM 004018988.mol (via Jmol)
004019095.b3lyp_6-31g(d).inp

004019095.b3lyp_6-31g(d).qchem.inp (generated)

004019095.b3lyp_6-31g(d).gjf (generated)

004019095.b3lyp_6-31g(d).firefly.inp (generated)

004019095.b3lyp_6-31g(d).smash.inp (generated)

004019095.b3lyp_6-31g(d).nwchem.inp (generated) 004019095.b3lyp_6-31g(d).log.xz 004019095.mol 004019095.PUBCHEM 004019095.mol (via Jmol)
004019172.b3lyp_6-31g(d).inp

004019172.b3lyp_6-31g(d).qchem.inp (generated)

004019172.b3lyp_6-31g(d).gjf (generated)

004019172.b3lyp_6-31g(d).firefly.inp (generated)

004019172.b3lyp_6-31g(d).smash.inp (generated)

004019172.b3lyp_6-31g(d).nwchem.inp (generated) 004019172.b3lyp_6-31g(d).log.xz 004019172.td-b3lyp_6-31g+(d).inp 004019172.td-b3lyp_6-31g+(d).log.xz

004019172.td-b3lyp_6-31+g(d).qchem.inp (generated)

004019172.td-b3lyp_6-31+g(d).gjf (generated)

004019172.td-b3lyp_6-31+g(d).firefly.inp (generated)

004019172.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004019172.mol 004019172.PUBCHEM 004019172.mol (via Jmol)
004019184.b3lyp_6-31g(d).inp

004019184.b3lyp_6-31g(d).qchem.inp (generated)

004019184.b3lyp_6-31g(d).gjf (generated)

004019184.b3lyp_6-31g(d).firefly.inp (generated)

004019184.b3lyp_6-31g(d).smash.inp (generated)

004019184.b3lyp_6-31g(d).nwchem.inp (generated) 004019184.b3lyp_6-31g(d).log.xz 004019184.td-b3lyp_6-31g+(d).inp 004019184.td-b3lyp_6-31g+(d).log.xz

004019184.td-b3lyp_6-31+g(d).qchem.inp (generated)

004019184.td-b3lyp_6-31+g(d).gjf (generated)

004019184.td-b3lyp_6-31+g(d).firefly.inp (generated)

004019184.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004019184.mol 004019184.PUBCHEM 004019184.mol (via Jmol)
004019232.b3lyp_6-31g(d).inp

004019232.b3lyp_6-31g(d).qchem.inp (generated)

004019232.b3lyp_6-31g(d).gjf (generated)

004019232.b3lyp_6-31g(d).firefly.inp (generated)

004019232.b3lyp_6-31g(d).smash.inp (generated)

004019232.b3lyp_6-31g(d).nwchem.inp (generated) 004019232.b3lyp_6-31g(d).log.xz 004019232.td-b3lyp_6-31g+(d).inp 004019232.td-b3lyp_6-31g+(d).log.xz

004019232.td-b3lyp_6-31+g(d).qchem.inp (generated)

004019232.td-b3lyp_6-31+g(d).gjf (generated)

004019232.td-b3lyp_6-31+g(d).firefly.inp (generated)

004019232.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004019232.mol 004019232.PUBCHEM 004019232.mol (via Jmol)
004019253.b3lyp_6-31g(d).inp

004019253.b3lyp_6-31g(d).qchem.inp (generated)

004019253.b3lyp_6-31g(d).gjf (generated)

004019253.b3lyp_6-31g(d).firefly.inp (generated)

004019253.b3lyp_6-31g(d).smash.inp (generated)

004019253.b3lyp_6-31g(d).nwchem.inp (generated) 004019253.b3lyp_6-31g(d).log.xz 004019253.td-b3lyp_6-31g+(d).inp 004019253.td-b3lyp_6-31g+(d).log.xz

004019253.td-b3lyp_6-31+g(d).qchem.inp (generated)

004019253.td-b3lyp_6-31+g(d).gjf (generated)

004019253.td-b3lyp_6-31+g(d).firefly.inp (generated)

004019253.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004019253.mol 004019253.PUBCHEM 004019253.mol (via Jmol)
004019392.b3lyp_6-31g(d).inp

004019392.b3lyp_6-31g(d).qchem.inp (generated)

004019392.b3lyp_6-31g(d).gjf (generated)

004019392.b3lyp_6-31g(d).firefly.inp (generated)

004019392.b3lyp_6-31g(d).smash.inp (generated)

004019392.b3lyp_6-31g(d).nwchem.inp (generated) 004019392.b3lyp_6-31g(d).log.xz 004019392.td-b3lyp_6-31g+(d).inp 004019392.td-b3lyp_6-31g+(d).log.xz

004019392.td-b3lyp_6-31+g(d).qchem.inp (generated)

004019392.td-b3lyp_6-31+g(d).gjf (generated)

004019392.td-b3lyp_6-31+g(d).firefly.inp (generated)

004019392.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004019392.mol 004019392.PUBCHEM 004019392.mol (via Jmol)
004019420.b3lyp_6-31g(d).inp

004019420.b3lyp_6-31g(d).qchem.inp (generated)

004019420.b3lyp_6-31g(d).gjf (generated)

004019420.b3lyp_6-31g(d).firefly.inp (generated)

004019420.b3lyp_6-31g(d).smash.inp (generated)

004019420.b3lyp_6-31g(d).nwchem.inp (generated) 004019420.b3lyp_6-31g(d).log.xz 004019420.td-b3lyp_6-31g+(d).inp 004019420.td-b3lyp_6-31g+(d).log.xz

004019420.td-b3lyp_6-31+g(d).qchem.inp (generated)

004019420.td-b3lyp_6-31+g(d).gjf (generated)

004019420.td-b3lyp_6-31+g(d).firefly.inp (generated)

004019420.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004019420.mol 004019420.PUBCHEM 004019420.mol (via Jmol)
004019528.b3lyp_6-31g(d).inp

004019528.b3lyp_6-31g(d).qchem.inp (generated)

004019528.b3lyp_6-31g(d).gjf (generated)

004019528.b3lyp_6-31g(d).firefly.inp (generated)

004019528.b3lyp_6-31g(d).smash.inp (generated)

004019528.b3lyp_6-31g(d).nwchem.inp (generated) 004019528.b3lyp_6-31g(d).log.xz 004019528.td-b3lyp_6-31g+(d).inp 004019528.td-b3lyp_6-31g+(d).log.xz

004019528.td-b3lyp_6-31+g(d).qchem.inp (generated)

004019528.td-b3lyp_6-31+g(d).gjf (generated)

004019528.td-b3lyp_6-31+g(d).firefly.inp (generated)

004019528.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004019528.mol 004019528.PUBCHEM 004019528.mol (via Jmol)
004019607.b3lyp_6-31g(d).inp

004019607.b3lyp_6-31g(d).qchem.inp (generated)

004019607.b3lyp_6-31g(d).gjf (generated)

004019607.b3lyp_6-31g(d).firefly.inp (generated)

004019607.b3lyp_6-31g(d).smash.inp (generated)

004019607.b3lyp_6-31g(d).nwchem.inp (generated) 004019607.b3lyp_6-31g(d).log.xz 004019607.td-b3lyp_6-31g+(d).inp 004019607.td-b3lyp_6-31g+(d).log.xz

004019607.td-b3lyp_6-31+g(d).qchem.inp (generated)

004019607.td-b3lyp_6-31+g(d).gjf (generated)

004019607.td-b3lyp_6-31+g(d).firefly.inp (generated)

004019607.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004019607.mol 004019607.PUBCHEM 004019607.mol (via Jmol)
004019620.b3lyp_6-31g(d).inp

004019620.b3lyp_6-31g(d).qchem.inp (generated)

004019620.b3lyp_6-31g(d).gjf (generated)

004019620.b3lyp_6-31g(d).firefly.inp (generated)

004019620.b3lyp_6-31g(d).smash.inp (generated)

004019620.b3lyp_6-31g(d).nwchem.inp (generated) 004019620.b3lyp_6-31g(d).log.xz 004019620.td-b3lyp_6-31g+(d).inp 004019620.td-b3lyp_6-31g+(d).log.xz

004019620.td-b3lyp_6-31+g(d).qchem.inp (generated)

004019620.td-b3lyp_6-31+g(d).gjf (generated)

004019620.td-b3lyp_6-31+g(d).firefly.inp (generated)

004019620.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004019620.mol 004019620.PUBCHEM 004019620.mol (via Jmol)
004019733.b3lyp_6-31g(d).inp

004019733.b3lyp_6-31g(d).qchem.inp (generated)

004019733.b3lyp_6-31g(d).gjf (generated)

004019733.b3lyp_6-31g(d).firefly.inp (generated)

004019733.b3lyp_6-31g(d).smash.inp (generated)

004019733.b3lyp_6-31g(d).nwchem.inp (generated) 004019733.b3lyp_6-31g(d).log.xz 004019733.td-b3lyp_6-31g+(d).inp 004019733.td-b3lyp_6-31g+(d).log.xz

004019733.td-b3lyp_6-31+g(d).qchem.inp (generated)

004019733.td-b3lyp_6-31+g(d).gjf (generated)

004019733.td-b3lyp_6-31+g(d).firefly.inp (generated)

004019733.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004019733.mol 004019733.PUBCHEM 004019733.mol (via Jmol)
004019744.b3lyp_6-31g(d).inp

004019744.b3lyp_6-31g(d).qchem.inp (generated)

004019744.b3lyp_6-31g(d).gjf (generated)

004019744.b3lyp_6-31g(d).firefly.inp (generated)

004019744.b3lyp_6-31g(d).smash.inp (generated)

004019744.b3lyp_6-31g(d).nwchem.inp (generated) 004019744.b3lyp_6-31g(d).log.xz 004019744.td-b3lyp_6-31g+(d).inp 004019744.td-b3lyp_6-31g+(d).log.xz

004019744.td-b3lyp_6-31+g(d).qchem.inp (generated)

004019744.td-b3lyp_6-31+g(d).gjf (generated)

004019744.td-b3lyp_6-31+g(d).firefly.inp (generated)

004019744.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004019744.mol 004019744.PUBCHEM 004019744.mol (via Jmol)
004019746.b3lyp_6-31g(d).inp

004019746.b3lyp_6-31g(d).qchem.inp (generated)

004019746.b3lyp_6-31g(d).gjf (generated)

004019746.b3lyp_6-31g(d).firefly.inp (generated)

004019746.b3lyp_6-31g(d).smash.inp (generated)

004019746.b3lyp_6-31g(d).nwchem.inp (generated) 004019746.b3lyp_6-31g(d).log.xz 004019746.td-b3lyp_6-31g+(d).inp 004019746.td-b3lyp_6-31g+(d).log.xz

004019746.td-b3lyp_6-31+g(d).qchem.inp (generated)

004019746.td-b3lyp_6-31+g(d).gjf (generated)

004019746.td-b3lyp_6-31+g(d).firefly.inp (generated)

004019746.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004019746.mol 004019746.PUBCHEM 004019746.mol (via Jmol)
004019766.b3lyp_6-31g(d).inp

004019766.b3lyp_6-31g(d).qchem.inp (generated)

004019766.b3lyp_6-31g(d).gjf (generated)

004019766.b3lyp_6-31g(d).firefly.inp (generated)

004019766.b3lyp_6-31g(d).smash.inp (generated)

004019766.b3lyp_6-31g(d).nwchem.inp (generated) 004019766.b3lyp_6-31g(d).log.xz 004019766.td-b3lyp_6-31g+(d).inp 004019766.td-b3lyp_6-31g+(d).log.xz

004019766.td-b3lyp_6-31+g(d).qchem.inp (generated)

004019766.td-b3lyp_6-31+g(d).gjf (generated)

004019766.td-b3lyp_6-31+g(d).firefly.inp (generated)

004019766.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004019766.mol 004019766.PUBCHEM 004019766.mol (via Jmol)
004019811.b3lyp_6-31g(d).inp

004019811.b3lyp_6-31g(d).qchem.inp (generated)

004019811.b3lyp_6-31g(d).gjf (generated)

004019811.b3lyp_6-31g(d).firefly.inp (generated)

004019811.b3lyp_6-31g(d).smash.inp (generated)

004019811.b3lyp_6-31g(d).nwchem.inp (generated) 004019811.b3lyp_6-31g(d).log.xz 004019811.td-b3lyp_6-31g+(d).inp 004019811.td-b3lyp_6-31g+(d).log.xz

004019811.td-b3lyp_6-31+g(d).qchem.inp (generated)

004019811.td-b3lyp_6-31+g(d).gjf (generated)

004019811.td-b3lyp_6-31+g(d).firefly.inp (generated)

004019811.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004019811.mol 004019811.PUBCHEM 004019811.mol (via Jmol)
004019875.b3lyp_6-31g(d).inp

004019875.b3lyp_6-31g(d).qchem.inp (generated)

004019875.b3lyp_6-31g(d).gjf (generated)

004019875.b3lyp_6-31g(d).firefly.inp (generated)

004019875.b3lyp_6-31g(d).smash.inp (generated)

004019875.b3lyp_6-31g(d).nwchem.inp (generated) 004019875.b3lyp_6-31g(d).log.xz 004019875.td-b3lyp_6-31g+(d).inp 004019875.td-b3lyp_6-31g+(d).log.xz

004019875.td-b3lyp_6-31+g(d).qchem.inp (generated)

004019875.td-b3lyp_6-31+g(d).gjf (generated)

004019875.td-b3lyp_6-31+g(d).firefly.inp (generated)

004019875.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004019875.mol 004019875.PUBCHEM 004019875.mol (via Jmol)
004019876.b3lyp_6-31g(d).inp

004019876.b3lyp_6-31g(d).qchem.inp (generated)

004019876.b3lyp_6-31g(d).gjf (generated)

004019876.b3lyp_6-31g(d).firefly.inp (generated)

004019876.b3lyp_6-31g(d).smash.inp (generated)

004019876.b3lyp_6-31g(d).nwchem.inp (generated) 004019876.b3lyp_6-31g(d).log.xz 004019876.mol 004019876.PUBCHEM 004019876.mol (via Jmol)
004020010.b3lyp_6-31g(d).inp

004020010.b3lyp_6-31g(d).qchem.inp (generated)

004020010.b3lyp_6-31g(d).gjf (generated)

004020010.b3lyp_6-31g(d).firefly.inp (generated)

004020010.b3lyp_6-31g(d).smash.inp (generated)

004020010.b3lyp_6-31g(d).nwchem.inp (generated) 004020010.b3lyp_6-31g(d).log.xz 004020010.td-b3lyp_6-31g+(d).inp 004020010.td-b3lyp_6-31g+(d).log.xz

004020010.td-b3lyp_6-31+g(d).qchem.inp (generated)

004020010.td-b3lyp_6-31+g(d).gjf (generated)

004020010.td-b3lyp_6-31+g(d).firefly.inp (generated)

004020010.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004020010.mol 004020010.PUBCHEM 004020010.mol (via Jmol)
004020012.b3lyp_6-31g(d).inp

004020012.b3lyp_6-31g(d).qchem.inp (generated)

004020012.b3lyp_6-31g(d).gjf (generated)

004020012.b3lyp_6-31g(d).firefly.inp (generated)

004020012.b3lyp_6-31g(d).smash.inp (generated)

004020012.b3lyp_6-31g(d).nwchem.inp (generated) 004020012.b3lyp_6-31g(d).log.xz 004020012.td-b3lyp_6-31g+(d).inp 004020012.td-b3lyp_6-31g+(d).log.xz

004020012.td-b3lyp_6-31+g(d).qchem.inp (generated)

004020012.td-b3lyp_6-31+g(d).gjf (generated)

004020012.td-b3lyp_6-31+g(d).firefly.inp (generated)

004020012.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004020012.mol 004020012.PUBCHEM 004020012.mol (via Jmol)
004020013.b3lyp_6-31g(d).inp

004020013.b3lyp_6-31g(d).qchem.inp (generated)

004020013.b3lyp_6-31g(d).gjf (generated)

004020013.b3lyp_6-31g(d).firefly.inp (generated)

004020013.b3lyp_6-31g(d).smash.inp (generated)

004020013.b3lyp_6-31g(d).nwchem.inp (generated) 004020013.b3lyp_6-31g(d).log.xz 004020013.td-b3lyp_6-31g+(d).inp 004020013.td-b3lyp_6-31g+(d).log.xz

004020013.td-b3lyp_6-31+g(d).qchem.inp (generated)

004020013.td-b3lyp_6-31+g(d).gjf (generated)

004020013.td-b3lyp_6-31+g(d).firefly.inp (generated)

004020013.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004020013.mol 004020013.PUBCHEM 004020013.mol (via Jmol)
004020014.b3lyp_6-31g(d).inp

004020014.b3lyp_6-31g(d).qchem.inp (generated)

004020014.b3lyp_6-31g(d).gjf (generated)

004020014.b3lyp_6-31g(d).firefly.inp (generated)

004020014.b3lyp_6-31g(d).smash.inp (generated)

004020014.b3lyp_6-31g(d).nwchem.inp (generated) 004020014.b3lyp_6-31g(d).log.xz 004020014.td-b3lyp_6-31g+(d).inp 004020014.td-b3lyp_6-31g+(d).log.xz

004020014.td-b3lyp_6-31+g(d).qchem.inp (generated)

004020014.td-b3lyp_6-31+g(d).gjf (generated)

004020014.td-b3lyp_6-31+g(d).firefly.inp (generated)

004020014.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004020014.mol 004020014.PUBCHEM 004020014.mol (via Jmol)
004020148.b3lyp_6-31g(d).inp

004020148.b3lyp_6-31g(d).qchem.inp (generated)

004020148.b3lyp_6-31g(d).gjf (generated)

004020148.b3lyp_6-31g(d).firefly.inp (generated)

004020148.b3lyp_6-31g(d).smash.inp (generated)

004020148.b3lyp_6-31g(d).nwchem.inp (generated) 004020148.b3lyp_6-31g(d).log.xz 004020148.td-b3lyp_6-31g+(d).inp 004020148.td-b3lyp_6-31g+(d).log.xz

004020148.td-b3lyp_6-31+g(d).qchem.inp (generated)

004020148.td-b3lyp_6-31+g(d).gjf (generated)

004020148.td-b3lyp_6-31+g(d).firefly.inp (generated)

004020148.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004020148.mol 004020148.PUBCHEM 004020148.mol (via Jmol)
004020192.b3lyp_6-31g(d).inp

004020192.b3lyp_6-31g(d).qchem.inp (generated)

004020192.b3lyp_6-31g(d).gjf (generated)

004020192.b3lyp_6-31g(d).firefly.inp (generated)

004020192.b3lyp_6-31g(d).smash.inp (generated)

004020192.b3lyp_6-31g(d).nwchem.inp (generated) 004020192.b3lyp_6-31g(d).log.xz 004020192.td-b3lyp_6-31g+(d).inp 004020192.td-b3lyp_6-31g+(d).log.xz

004020192.td-b3lyp_6-31+g(d).qchem.inp (generated)

004020192.td-b3lyp_6-31+g(d).gjf (generated)

004020192.td-b3lyp_6-31+g(d).firefly.inp (generated)

004020192.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004020192.mol 004020192.PUBCHEM 004020192.mol (via Jmol)
004020197.b3lyp_6-31g(d).inp

004020197.b3lyp_6-31g(d).qchem.inp (generated)

004020197.b3lyp_6-31g(d).gjf (generated)

004020197.b3lyp_6-31g(d).firefly.inp (generated)

004020197.b3lyp_6-31g(d).smash.inp (generated)

004020197.b3lyp_6-31g(d).nwchem.inp (generated) 004020197.b3lyp_6-31g(d).log.xz 004020197.td-b3lyp_6-31g+(d).inp 004020197.td-b3lyp_6-31g+(d).log.xz

004020197.td-b3lyp_6-31+g(d).qchem.inp (generated)

004020197.td-b3lyp_6-31+g(d).gjf (generated)

004020197.td-b3lyp_6-31+g(d).firefly.inp (generated)

004020197.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004020197.mol 004020197.PUBCHEM 004020197.mol (via Jmol)
004020198.b3lyp_6-31g(d).inp

004020198.b3lyp_6-31g(d).qchem.inp (generated)

004020198.b3lyp_6-31g(d).gjf (generated)

004020198.b3lyp_6-31g(d).firefly.inp (generated)

004020198.b3lyp_6-31g(d).smash.inp (generated)

004020198.b3lyp_6-31g(d).nwchem.inp (generated) 004020198.b3lyp_6-31g(d).log.xz 004020198.td-b3lyp_6-31g+(d).inp 004020198.td-b3lyp_6-31g+(d).log.xz

004020198.td-b3lyp_6-31+g(d).qchem.inp (generated)

004020198.td-b3lyp_6-31+g(d).gjf (generated)

004020198.td-b3lyp_6-31+g(d).firefly.inp (generated)

004020198.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004020198.mol 004020198.PUBCHEM 004020198.mol (via Jmol)
004020238.b3lyp_6-31g(d).inp

004020238.b3lyp_6-31g(d).qchem.inp (generated)

004020238.b3lyp_6-31g(d).gjf (generated)

004020238.b3lyp_6-31g(d).firefly.inp (generated)

004020238.b3lyp_6-31g(d).smash.inp (generated)

004020238.b3lyp_6-31g(d).nwchem.inp (generated) 004020238.b3lyp_6-31g(d).log.xz 004020238.mol 004020238.PUBCHEM 004020238.mol (via Jmol)
004020396.b3lyp_6-31g(d).inp

004020396.b3lyp_6-31g(d).qchem.inp (generated)

004020396.b3lyp_6-31g(d).gjf (generated)

004020396.b3lyp_6-31g(d).firefly.inp (generated)

004020396.b3lyp_6-31g(d).smash.inp (generated)

004020396.b3lyp_6-31g(d).nwchem.inp (generated) 004020396.b3lyp_6-31g(d).log.xz 004020396.td-b3lyp_6-31g+(d).inp 004020396.td-b3lyp_6-31g+(d).log.xz

004020396.td-b3lyp_6-31+g(d).qchem.inp (generated)

004020396.td-b3lyp_6-31+g(d).gjf (generated)

004020396.td-b3lyp_6-31+g(d).firefly.inp (generated)

004020396.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004020396.mol 004020396.PUBCHEM 004020396.mol (via Jmol)
004020432.b3lyp_6-31g(d).inp

004020432.b3lyp_6-31g(d).qchem.inp (generated)

004020432.b3lyp_6-31g(d).gjf (generated)

004020432.b3lyp_6-31g(d).firefly.inp (generated)

004020432.b3lyp_6-31g(d).smash.inp (generated)

004020432.b3lyp_6-31g(d).nwchem.inp (generated) 004020432.b3lyp_6-31g(d).log.xz 004020432.td-b3lyp_6-31g+(d).inp 004020432.td-b3lyp_6-31g+(d).log.xz

004020432.td-b3lyp_6-31+g(d).qchem.inp (generated)

004020432.td-b3lyp_6-31+g(d).gjf (generated)

004020432.td-b3lyp_6-31+g(d).firefly.inp (generated)

004020432.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004020432.mol 004020432.PUBCHEM 004020432.mol (via Jmol)
004020482.b3lyp_6-31g(d).inp

004020482.b3lyp_6-31g(d).qchem.inp (generated)

004020482.b3lyp_6-31g(d).gjf (generated)

004020482.b3lyp_6-31g(d).firefly.inp (generated)

004020482.b3lyp_6-31g(d).smash.inp (generated)

004020482.b3lyp_6-31g(d).nwchem.inp (generated) 004020482.b3lyp_6-31g(d).log.xz 004020482.td-b3lyp_6-31g+(d).inp 004020482.td-b3lyp_6-31g+(d).log.xz

004020482.td-b3lyp_6-31+g(d).qchem.inp (generated)

004020482.td-b3lyp_6-31+g(d).gjf (generated)

004020482.td-b3lyp_6-31+g(d).firefly.inp (generated)

004020482.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004020482.mol 004020482.PUBCHEM 004020482.mol (via Jmol)
004020519.b3lyp_6-31g(d).inp

004020519.b3lyp_6-31g(d).qchem.inp (generated)

004020519.b3lyp_6-31g(d).gjf (generated)

004020519.b3lyp_6-31g(d).firefly.inp (generated)

004020519.b3lyp_6-31g(d).smash.inp (generated)

004020519.b3lyp_6-31g(d).nwchem.inp (generated) 004020519.b3lyp_6-31g(d).log.xz 004020519.td-b3lyp_6-31g+(d).inp 004020519.td-b3lyp_6-31g+(d).log.xz

004020519.td-b3lyp_6-31+g(d).qchem.inp (generated)

004020519.td-b3lyp_6-31+g(d).gjf (generated)

004020519.td-b3lyp_6-31+g(d).firefly.inp (generated)

004020519.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004020519.mol 004020519.PUBCHEM 004020519.mol (via Jmol)
004020533.b3lyp_6-31g(d).inp

004020533.b3lyp_6-31g(d).qchem.inp (generated)

004020533.b3lyp_6-31g(d).gjf (generated)

004020533.b3lyp_6-31g(d).firefly.inp (generated)

004020533.b3lyp_6-31g(d).smash.inp (generated)

004020533.b3lyp_6-31g(d).nwchem.inp (generated) 004020533.b3lyp_6-31g(d).log.xz 004020533.td-b3lyp_6-31g+(d).inp 004020533.td-b3lyp_6-31g+(d).log.xz

004020533.td-b3lyp_6-31+g(d).qchem.inp (generated)

004020533.td-b3lyp_6-31+g(d).gjf (generated)

004020533.td-b3lyp_6-31+g(d).firefly.inp (generated)

004020533.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004020533.mol 004020533.PUBCHEM 004020533.mol (via Jmol)
004020574.b3lyp_6-31g(d).inp

004020574.b3lyp_6-31g(d).qchem.inp (generated)

004020574.b3lyp_6-31g(d).gjf (generated)

004020574.b3lyp_6-31g(d).firefly.inp (generated)

004020574.b3lyp_6-31g(d).smash.inp (generated)

004020574.b3lyp_6-31g(d).nwchem.inp (generated) 004020574.b3lyp_6-31g(d).log.xz 004020574.td-b3lyp_6-31g+(d).inp 004020574.td-b3lyp_6-31g+(d).log.xz

004020574.td-b3lyp_6-31+g(d).qchem.inp (generated)

004020574.td-b3lyp_6-31+g(d).gjf (generated)

004020574.td-b3lyp_6-31+g(d).firefly.inp (generated)

004020574.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004020574.mol 004020574.PUBCHEM 004020574.mol (via Jmol)
004020622.b3lyp_6-31g(d).inp

004020622.b3lyp_6-31g(d).qchem.inp (generated)

004020622.b3lyp_6-31g(d).gjf (generated)

004020622.b3lyp_6-31g(d).firefly.inp (generated)

004020622.b3lyp_6-31g(d).smash.inp (generated)

004020622.b3lyp_6-31g(d).nwchem.inp (generated) 004020622.b3lyp_6-31g(d).log.xz 004020622.mol 004020622.PUBCHEM 004020622.mol (via Jmol)
004020693.b3lyp_6-31g(d).inp

004020693.b3lyp_6-31g(d).qchem.inp (generated)

004020693.b3lyp_6-31g(d).gjf (generated)

004020693.b3lyp_6-31g(d).firefly.inp (generated)

004020693.b3lyp_6-31g(d).smash.inp (generated)

004020693.b3lyp_6-31g(d).nwchem.inp (generated) 004020693.b3lyp_6-31g(d).log.xz 004020693.td-b3lyp_6-31g+(d).inp 004020693.td-b3lyp_6-31g+(d).log.xz

004020693.td-b3lyp_6-31+g(d).qchem.inp (generated)

004020693.td-b3lyp_6-31+g(d).gjf (generated)

004020693.td-b3lyp_6-31+g(d).firefly.inp (generated)

004020693.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004020693.mol 004020693.PUBCHEM 004020693.mol (via Jmol)
004020861.b3lyp_6-31g(d).inp

004020861.b3lyp_6-31g(d).qchem.inp (generated)

004020861.b3lyp_6-31g(d).gjf (generated)

004020861.b3lyp_6-31g(d).firefly.inp (generated)

004020861.b3lyp_6-31g(d).smash.inp (generated)

004020861.b3lyp_6-31g(d).nwchem.inp (generated) 004020861.b3lyp_6-31g(d).log.xz 004020861.td-b3lyp_6-31g+(d).inp 004020861.td-b3lyp_6-31g+(d).log.xz

004020861.td-b3lyp_6-31+g(d).qchem.inp (generated)

004020861.td-b3lyp_6-31+g(d).gjf (generated)

004020861.td-b3lyp_6-31+g(d).firefly.inp (generated)

004020861.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004020861.mol 004020861.PUBCHEM 004020861.mol (via Jmol)
004020908.b3lyp_6-31g(d).inp

004020908.b3lyp_6-31g(d).qchem.inp (generated)

004020908.b3lyp_6-31g(d).gjf (generated)

004020908.b3lyp_6-31g(d).firefly.inp (generated)

004020908.b3lyp_6-31g(d).smash.inp (generated)

004020908.b3lyp_6-31g(d).nwchem.inp (generated) 004020908.b3lyp_6-31g(d).log.xz 004020908.td-b3lyp_6-31g+(d).inp 004020908.td-b3lyp_6-31g+(d).log.xz

004020908.td-b3lyp_6-31+g(d).qchem.inp (generated)

004020908.td-b3lyp_6-31+g(d).gjf (generated)

004020908.td-b3lyp_6-31+g(d).firefly.inp (generated)

004020908.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004020908.mol 004020908.PUBCHEM 004020908.mol (via Jmol)
004020909.b3lyp_6-31g(d).inp

004020909.b3lyp_6-31g(d).qchem.inp (generated)

004020909.b3lyp_6-31g(d).gjf (generated)

004020909.b3lyp_6-31g(d).firefly.inp (generated)

004020909.b3lyp_6-31g(d).smash.inp (generated)

004020909.b3lyp_6-31g(d).nwchem.inp (generated) 004020909.b3lyp_6-31g(d).log.xz 004020909.td-b3lyp_6-31g+(d).inp 004020909.td-b3lyp_6-31g+(d).log.xz

004020909.td-b3lyp_6-31+g(d).qchem.inp (generated)

004020909.td-b3lyp_6-31+g(d).gjf (generated)

004020909.td-b3lyp_6-31+g(d).firefly.inp (generated)

004020909.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004020909.mol 004020909.PUBCHEM 004020909.mol (via Jmol)
004020918.b3lyp_6-31g(d).inp

004020918.b3lyp_6-31g(d).qchem.inp (generated)

004020918.b3lyp_6-31g(d).gjf (generated)

004020918.b3lyp_6-31g(d).firefly.inp (generated)

004020918.b3lyp_6-31g(d).smash.inp (generated)

004020918.b3lyp_6-31g(d).nwchem.inp (generated) 004020918.b3lyp_6-31g(d).log.xz 004020918.td-b3lyp_6-31g+(d).inp 004020918.td-b3lyp_6-31g+(d).log.xz

004020918.td-b3lyp_6-31+g(d).qchem.inp (generated)

004020918.td-b3lyp_6-31+g(d).gjf (generated)

004020918.td-b3lyp_6-31+g(d).firefly.inp (generated)

004020918.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004020918.mol 004020918.PUBCHEM 004020918.mol (via Jmol)
004020931.b3lyp_6-31g(d).inp

004020931.b3lyp_6-31g(d).qchem.inp (generated)

004020931.b3lyp_6-31g(d).gjf (generated)

004020931.b3lyp_6-31g(d).firefly.inp (generated)

004020931.b3lyp_6-31g(d).smash.inp (generated)

004020931.b3lyp_6-31g(d).nwchem.inp (generated) 004020931.b3lyp_6-31g(d).log.xz 004020931.td-b3lyp_6-31g+(d).inp 004020931.td-b3lyp_6-31g+(d).log.xz

004020931.td-b3lyp_6-31+g(d).qchem.inp (generated)

004020931.td-b3lyp_6-31+g(d).gjf (generated)

004020931.td-b3lyp_6-31+g(d).firefly.inp (generated)

004020931.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004020931.mol 004020931.PUBCHEM 004020931.mol (via Jmol)
004020932.b3lyp_6-31g(d).inp

004020932.b3lyp_6-31g(d).qchem.inp (generated)

004020932.b3lyp_6-31g(d).gjf (generated)

004020932.b3lyp_6-31g(d).firefly.inp (generated)

004020932.b3lyp_6-31g(d).smash.inp (generated)

004020932.b3lyp_6-31g(d).nwchem.inp (generated) 004020932.b3lyp_6-31g(d).log.xz 004020932.td-b3lyp_6-31g+(d).inp 004020932.td-b3lyp_6-31g+(d).log.xz

004020932.td-b3lyp_6-31+g(d).qchem.inp (generated)

004020932.td-b3lyp_6-31+g(d).gjf (generated)

004020932.td-b3lyp_6-31+g(d).firefly.inp (generated)

004020932.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004020932.mol 004020932.PUBCHEM 004020932.mol (via Jmol)
004020978.b3lyp_6-31g(d).inp

004020978.b3lyp_6-31g(d).qchem.inp (generated)

004020978.b3lyp_6-31g(d).gjf (generated)

004020978.b3lyp_6-31g(d).firefly.inp (generated)

004020978.b3lyp_6-31g(d).smash.inp (generated)

004020978.b3lyp_6-31g(d).nwchem.inp (generated) 004020978.b3lyp_6-31g(d).log.xz 004020978.td-b3lyp_6-31g+(d).inp 004020978.td-b3lyp_6-31g+(d).log.xz

004020978.td-b3lyp_6-31+g(d).qchem.inp (generated)

004020978.td-b3lyp_6-31+g(d).gjf (generated)

004020978.td-b3lyp_6-31+g(d).firefly.inp (generated)

004020978.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004020978.mol 004020978.PUBCHEM 004020978.mol (via Jmol)
004021013.b3lyp_6-31g(d).inp

004021013.b3lyp_6-31g(d).qchem.inp (generated)

004021013.b3lyp_6-31g(d).gjf (generated)

004021013.b3lyp_6-31g(d).firefly.inp (generated)

004021013.b3lyp_6-31g(d).smash.inp (generated)

004021013.b3lyp_6-31g(d).nwchem.inp (generated) 004021013.b3lyp_6-31g(d).log.xz 004021013.td-b3lyp_6-31g+(d).inp 004021013.td-b3lyp_6-31g+(d).log.xz

004021013.td-b3lyp_6-31+g(d).qchem.inp (generated)

004021013.td-b3lyp_6-31+g(d).gjf (generated)

004021013.td-b3lyp_6-31+g(d).firefly.inp (generated)

004021013.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004021013.mol 004021013.PUBCHEM 004021013.mol (via Jmol)
004021086.b3lyp_6-31g(d).inp

004021086.b3lyp_6-31g(d).qchem.inp (generated)

004021086.b3lyp_6-31g(d).gjf (generated)

004021086.b3lyp_6-31g(d).firefly.inp (generated)

004021086.b3lyp_6-31g(d).smash.inp (generated)

004021086.b3lyp_6-31g(d).nwchem.inp (generated) 004021086.b3lyp_6-31g(d).log.xz 004021086.td-b3lyp_6-31g+(d).inp 004021086.td-b3lyp_6-31g+(d).log.xz

004021086.td-b3lyp_6-31+g(d).qchem.inp (generated)

004021086.td-b3lyp_6-31+g(d).gjf (generated)

004021086.td-b3lyp_6-31+g(d).firefly.inp (generated)

004021086.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004021086.mol 004021086.PUBCHEM 004021086.mol (via Jmol)
004021089.b3lyp_6-31g(d).inp

004021089.b3lyp_6-31g(d).qchem.inp (generated)

004021089.b3lyp_6-31g(d).gjf (generated)

004021089.b3lyp_6-31g(d).firefly.inp (generated)

004021089.b3lyp_6-31g(d).smash.inp (generated)

004021089.b3lyp_6-31g(d).nwchem.inp (generated) 004021089.b3lyp_6-31g(d).log.xz 004021089.td-b3lyp_6-31g+(d).inp 004021089.td-b3lyp_6-31g+(d).log.xz

004021089.td-b3lyp_6-31+g(d).qchem.inp (generated)

004021089.td-b3lyp_6-31+g(d).gjf (generated)

004021089.td-b3lyp_6-31+g(d).firefly.inp (generated)

004021089.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004021089.mol 004021089.PUBCHEM 004021089.mol (via Jmol)
004021133.b3lyp_6-31g(d).inp

004021133.b3lyp_6-31g(d).qchem.inp (generated)

004021133.b3lyp_6-31g(d).gjf (generated)

004021133.b3lyp_6-31g(d).firefly.inp (generated)

004021133.b3lyp_6-31g(d).smash.inp (generated)

004021133.b3lyp_6-31g(d).nwchem.inp (generated) 004021133.b3lyp_6-31g(d).log.xz 004021133.td-b3lyp_6-31g+(d).inp 004021133.td-b3lyp_6-31g+(d).log.xz

004021133.td-b3lyp_6-31+g(d).qchem.inp (generated)

004021133.td-b3lyp_6-31+g(d).gjf (generated)

004021133.td-b3lyp_6-31+g(d).firefly.inp (generated)

004021133.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004021133.mol 004021133.PUBCHEM 004021133.mol (via Jmol)
004021135.b3lyp_6-31g(d).inp

004021135.b3lyp_6-31g(d).qchem.inp (generated)

004021135.b3lyp_6-31g(d).gjf (generated)

004021135.b3lyp_6-31g(d).firefly.inp (generated)

004021135.b3lyp_6-31g(d).smash.inp (generated)

004021135.b3lyp_6-31g(d).nwchem.inp (generated) 004021135.b3lyp_6-31g(d).log.xz 004021135.td-b3lyp_6-31g+(d).inp 004021135.td-b3lyp_6-31g+(d).log.xz

004021135.td-b3lyp_6-31+g(d).qchem.inp (generated)

004021135.td-b3lyp_6-31+g(d).gjf (generated)

004021135.td-b3lyp_6-31+g(d).firefly.inp (generated)

004021135.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004021135.mol 004021135.PUBCHEM 004021135.mol (via Jmol)
004021153.b3lyp_6-31g(d).inp

004021153.b3lyp_6-31g(d).qchem.inp (generated)

004021153.b3lyp_6-31g(d).gjf (generated)

004021153.b3lyp_6-31g(d).firefly.inp (generated)

004021153.b3lyp_6-31g(d).smash.inp (generated)

004021153.b3lyp_6-31g(d).nwchem.inp (generated) 004021153.b3lyp_6-31g(d).log.xz 004021153.td-b3lyp_6-31g+(d).inp 004021153.td-b3lyp_6-31g+(d).log.xz

004021153.td-b3lyp_6-31+g(d).qchem.inp (generated)

004021153.td-b3lyp_6-31+g(d).gjf (generated)

004021153.td-b3lyp_6-31+g(d).firefly.inp (generated)

004021153.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004021153.mol 004021153.PUBCHEM 004021153.mol (via Jmol)
004021315.b3lyp_6-31g(d).inp

004021315.b3lyp_6-31g(d).qchem.inp (generated)

004021315.b3lyp_6-31g(d).gjf (generated)

004021315.b3lyp_6-31g(d).firefly.inp (generated)

004021315.b3lyp_6-31g(d).smash.inp (generated)

004021315.b3lyp_6-31g(d).nwchem.inp (generated) 004021315.b3lyp_6-31g(d).log.xz 004021315.td-b3lyp_6-31g+(d).inp 004021315.td-b3lyp_6-31g+(d).log.xz

004021315.td-b3lyp_6-31+g(d).qchem.inp (generated)

004021315.td-b3lyp_6-31+g(d).gjf (generated)

004021315.td-b3lyp_6-31+g(d).firefly.inp (generated)

004021315.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004021315.mol 004021315.PUBCHEM 004021315.mol (via Jmol)
004021344.b3lyp_6-31g(d).inp

004021344.b3lyp_6-31g(d).qchem.inp (generated)

004021344.b3lyp_6-31g(d).gjf (generated)

004021344.b3lyp_6-31g(d).firefly.inp (generated)

004021344.b3lyp_6-31g(d).smash.inp (generated)

004021344.b3lyp_6-31g(d).nwchem.inp (generated) 004021344.b3lyp_6-31g(d).log.xz 004021344.td-b3lyp_6-31g+(d).inp 004021344.td-b3lyp_6-31g+(d).log.xz

004021344.td-b3lyp_6-31+g(d).qchem.inp (generated)

004021344.td-b3lyp_6-31+g(d).gjf (generated)

004021344.td-b3lyp_6-31+g(d).firefly.inp (generated)

004021344.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004021344.mol 004021344.PUBCHEM 004021344.mol (via Jmol)
004021405.b3lyp_6-31g(d).inp

004021405.b3lyp_6-31g(d).qchem.inp (generated)

004021405.b3lyp_6-31g(d).gjf (generated)

004021405.b3lyp_6-31g(d).firefly.inp (generated)

004021405.b3lyp_6-31g(d).smash.inp (generated)

004021405.b3lyp_6-31g(d).nwchem.inp (generated) 004021405.b3lyp_6-31g(d).log.xz 004021405.td-b3lyp_6-31g+(d).inp 004021405.td-b3lyp_6-31g+(d).log.xz

004021405.td-b3lyp_6-31+g(d).qchem.inp (generated)

004021405.td-b3lyp_6-31+g(d).gjf (generated)

004021405.td-b3lyp_6-31+g(d).firefly.inp (generated)

004021405.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004021405.mol 004021405.PUBCHEM 004021405.mol (via Jmol)
004021438.b3lyp_6-31g(d).inp

004021438.b3lyp_6-31g(d).qchem.inp (generated)

004021438.b3lyp_6-31g(d).gjf (generated)

004021438.b3lyp_6-31g(d).firefly.inp (generated)

004021438.b3lyp_6-31g(d).smash.inp (generated)

004021438.b3lyp_6-31g(d).nwchem.inp (generated) 004021438.b3lyp_6-31g(d).log.xz 004021438.td-b3lyp_6-31g+(d).inp 004021438.td-b3lyp_6-31g+(d).log.xz

004021438.td-b3lyp_6-31+g(d).qchem.inp (generated)

004021438.td-b3lyp_6-31+g(d).gjf (generated)

004021438.td-b3lyp_6-31+g(d).firefly.inp (generated)

004021438.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004021438.mol 004021438.PUBCHEM 004021438.mol (via Jmol)
004021441.b3lyp_6-31g(d).inp

004021441.b3lyp_6-31g(d).qchem.inp (generated)

004021441.b3lyp_6-31g(d).gjf (generated)

004021441.b3lyp_6-31g(d).firefly.inp (generated)

004021441.b3lyp_6-31g(d).smash.inp (generated)

004021441.b3lyp_6-31g(d).nwchem.inp (generated) 004021441.b3lyp_6-31g(d).log.xz 004021441.td-b3lyp_6-31g+(d).inp 004021441.td-b3lyp_6-31g+(d).log.xz

004021441.td-b3lyp_6-31+g(d).qchem.inp (generated)

004021441.td-b3lyp_6-31+g(d).gjf (generated)

004021441.td-b3lyp_6-31+g(d).firefly.inp (generated)

004021441.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004021441.mol 004021441.PUBCHEM 004021441.mol (via Jmol)
004021465.b3lyp_6-31g(d).inp

004021465.b3lyp_6-31g(d).qchem.inp (generated)

004021465.b3lyp_6-31g(d).gjf (generated)

004021465.b3lyp_6-31g(d).firefly.inp (generated)

004021465.b3lyp_6-31g(d).smash.inp (generated)

004021465.b3lyp_6-31g(d).nwchem.inp (generated) 004021465.b3lyp_6-31g(d).log.xz 004021465.td-b3lyp_6-31g+(d).inp 004021465.td-b3lyp_6-31g+(d).log.xz

004021465.td-b3lyp_6-31+g(d).qchem.inp (generated)

004021465.td-b3lyp_6-31+g(d).gjf (generated)

004021465.td-b3lyp_6-31+g(d).firefly.inp (generated)

004021465.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004021465.mol 004021465.PUBCHEM 004021465.mol (via Jmol)
004021466.b3lyp_6-31g(d).inp

004021466.b3lyp_6-31g(d).qchem.inp (generated)

004021466.b3lyp_6-31g(d).gjf (generated)

004021466.b3lyp_6-31g(d).firefly.inp (generated)

004021466.b3lyp_6-31g(d).smash.inp (generated)

004021466.b3lyp_6-31g(d).nwchem.inp (generated) 004021466.b3lyp_6-31g(d).log.xz 004021466.td-b3lyp_6-31g+(d).inp 004021466.td-b3lyp_6-31g+(d).log.xz

004021466.td-b3lyp_6-31+g(d).qchem.inp (generated)

004021466.td-b3lyp_6-31+g(d).gjf (generated)

004021466.td-b3lyp_6-31+g(d).firefly.inp (generated)

004021466.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004021466.mol 004021466.PUBCHEM 004021466.mol (via Jmol)
004021508.b3lyp_6-31g(d).inp

004021508.b3lyp_6-31g(d).qchem.inp (generated)

004021508.b3lyp_6-31g(d).gjf (generated)

004021508.b3lyp_6-31g(d).firefly.inp (generated)

004021508.b3lyp_6-31g(d).smash.inp (generated)

004021508.b3lyp_6-31g(d).nwchem.inp (generated) 004021508.b3lyp_6-31g(d).log.xz 004021508.td-b3lyp_6-31g+(d).inp 004021508.td-b3lyp_6-31g+(d).log.xz

004021508.td-b3lyp_6-31+g(d).qchem.inp (generated)

004021508.td-b3lyp_6-31+g(d).gjf (generated)

004021508.td-b3lyp_6-31+g(d).firefly.inp (generated)

004021508.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004021508.mol 004021508.PUBCHEM 004021508.mol (via Jmol)
004021509.b3lyp_6-31g(d).inp

004021509.b3lyp_6-31g(d).qchem.inp (generated)

004021509.b3lyp_6-31g(d).gjf (generated)

004021509.b3lyp_6-31g(d).firefly.inp (generated)

004021509.b3lyp_6-31g(d).smash.inp (generated)

004021509.b3lyp_6-31g(d).nwchem.inp (generated) 004021509.b3lyp_6-31g(d).log.xz 004021509.td-b3lyp_6-31g+(d).inp 004021509.td-b3lyp_6-31g+(d).log.xz

004021509.td-b3lyp_6-31+g(d).qchem.inp (generated)

004021509.td-b3lyp_6-31+g(d).gjf (generated)

004021509.td-b3lyp_6-31+g(d).firefly.inp (generated)

004021509.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004021509.mol 004021509.PUBCHEM 004021509.mol (via Jmol)
004021549.b3lyp_6-31g(d).inp

004021549.b3lyp_6-31g(d).qchem.inp (generated)

004021549.b3lyp_6-31g(d).gjf (generated)

004021549.b3lyp_6-31g(d).firefly.inp (generated)

004021549.b3lyp_6-31g(d).smash.inp (generated)

004021549.b3lyp_6-31g(d).nwchem.inp (generated) 004021549.b3lyp_6-31g(d).log.xz 004021549.td-b3lyp_6-31g+(d).inp 004021549.td-b3lyp_6-31g+(d).log.xz

004021549.td-b3lyp_6-31+g(d).qchem.inp (generated)

004021549.td-b3lyp_6-31+g(d).gjf (generated)

004021549.td-b3lyp_6-31+g(d).firefly.inp (generated)

004021549.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004021549.mol 004021549.PUBCHEM 004021549.mol (via Jmol)
004021578.b3lyp_6-31g(d).inp

004021578.b3lyp_6-31g(d).qchem.inp (generated)

004021578.b3lyp_6-31g(d).gjf (generated)

004021578.b3lyp_6-31g(d).firefly.inp (generated)

004021578.b3lyp_6-31g(d).smash.inp (generated)

004021578.b3lyp_6-31g(d).nwchem.inp (generated) 004021578.b3lyp_6-31g(d).log.xz 004021578.td-b3lyp_6-31g+(d).inp 004021578.td-b3lyp_6-31g+(d).log.xz

004021578.td-b3lyp_6-31+g(d).qchem.inp (generated)

004021578.td-b3lyp_6-31+g(d).gjf (generated)

004021578.td-b3lyp_6-31+g(d).firefly.inp (generated)

004021578.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004021578.mol 004021578.PUBCHEM 004021578.mol (via Jmol)
004021591.b3lyp_6-31g(d).inp

004021591.b3lyp_6-31g(d).qchem.inp (generated)

004021591.b3lyp_6-31g(d).gjf (generated)

004021591.b3lyp_6-31g(d).firefly.inp (generated)

004021591.b3lyp_6-31g(d).smash.inp (generated)

004021591.b3lyp_6-31g(d).nwchem.inp (generated) 004021591.b3lyp_6-31g(d).log.xz 004021591.td-b3lyp_6-31g+(d).inp 004021591.td-b3lyp_6-31g+(d).log.xz

004021591.td-b3lyp_6-31+g(d).qchem.inp (generated)

004021591.td-b3lyp_6-31+g(d).gjf (generated)

004021591.td-b3lyp_6-31+g(d).firefly.inp (generated)

004021591.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004021591.mol 004021591.PUBCHEM 004021591.mol (via Jmol)
004021592.b3lyp_6-31g(d).inp

004021592.b3lyp_6-31g(d).qchem.inp (generated)

004021592.b3lyp_6-31g(d).gjf (generated)

004021592.b3lyp_6-31g(d).firefly.inp (generated)

004021592.b3lyp_6-31g(d).smash.inp (generated)

004021592.b3lyp_6-31g(d).nwchem.inp (generated) 004021592.b3lyp_6-31g(d).log.xz 004021592.mol 004021592.PUBCHEM 004021592.mol (via Jmol)
004021704.b3lyp_6-31g(d).inp

004021704.b3lyp_6-31g(d).qchem.inp (generated)

004021704.b3lyp_6-31g(d).gjf (generated)

004021704.b3lyp_6-31g(d).firefly.inp (generated)

004021704.b3lyp_6-31g(d).smash.inp (generated)

004021704.b3lyp_6-31g(d).nwchem.inp (generated) 004021704.b3lyp_6-31g(d).log.xz 004021704.mol 004021704.PUBCHEM 004021704.mol (via Jmol)
004021738.b3lyp_6-31g(d).inp

004021738.b3lyp_6-31g(d).qchem.inp (generated)

004021738.b3lyp_6-31g(d).gjf (generated)

004021738.b3lyp_6-31g(d).firefly.inp (generated)

004021738.b3lyp_6-31g(d).smash.inp (generated)

004021738.b3lyp_6-31g(d).nwchem.inp (generated) 004021738.b3lyp_6-31g(d).log.xz 004021738.td-b3lyp_6-31g+(d).inp 004021738.td-b3lyp_6-31g+(d).log.xz

004021738.td-b3lyp_6-31+g(d).qchem.inp (generated)

004021738.td-b3lyp_6-31+g(d).gjf (generated)

004021738.td-b3lyp_6-31+g(d).firefly.inp (generated)

004021738.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004021738.mol 004021738.PUBCHEM 004021738.mol (via Jmol)
004021748.b3lyp_6-31g(d).inp

004021748.b3lyp_6-31g(d).qchem.inp (generated)

004021748.b3lyp_6-31g(d).gjf (generated)

004021748.b3lyp_6-31g(d).firefly.inp (generated)

004021748.b3lyp_6-31g(d).smash.inp (generated)

004021748.b3lyp_6-31g(d).nwchem.inp (generated) 004021748.b3lyp_6-31g(d).log.xz 004021748.td-b3lyp_6-31g+(d).inp 004021748.td-b3lyp_6-31g+(d).log.xz

004021748.td-b3lyp_6-31+g(d).qchem.inp (generated)

004021748.td-b3lyp_6-31+g(d).gjf (generated)

004021748.td-b3lyp_6-31+g(d).firefly.inp (generated)

004021748.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004021748.mol 004021748.PUBCHEM 004021748.mol (via Jmol)
004021837.b3lyp_6-31g(d).inp

004021837.b3lyp_6-31g(d).qchem.inp (generated)

004021837.b3lyp_6-31g(d).gjf (generated)

004021837.b3lyp_6-31g(d).firefly.inp (generated)

004021837.b3lyp_6-31g(d).smash.inp (generated)

004021837.b3lyp_6-31g(d).nwchem.inp (generated) 004021837.b3lyp_6-31g(d).log.xz 004021837.td-b3lyp_6-31g+(d).inp 004021837.td-b3lyp_6-31g+(d).log.xz

004021837.td-b3lyp_6-31+g(d).qchem.inp (generated)

004021837.td-b3lyp_6-31+g(d).gjf (generated)

004021837.td-b3lyp_6-31+g(d).firefly.inp (generated)

004021837.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004021837.mol 004021837.PUBCHEM 004021837.mol (via Jmol)
004022067.b3lyp_6-31g(d).inp

004022067.b3lyp_6-31g(d).qchem.inp (generated)

004022067.b3lyp_6-31g(d).gjf (generated)

004022067.b3lyp_6-31g(d).firefly.inp (generated)

004022067.b3lyp_6-31g(d).smash.inp (generated)

004022067.b3lyp_6-31g(d).nwchem.inp (generated) 004022067.b3lyp_6-31g(d).log.xz 004022067.td-b3lyp_6-31g+(d).inp 004022067.td-b3lyp_6-31g+(d).log.xz

004022067.td-b3lyp_6-31+g(d).qchem.inp (generated)

004022067.td-b3lyp_6-31+g(d).gjf (generated)

004022067.td-b3lyp_6-31+g(d).firefly.inp (generated)

004022067.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004022067.mol 004022067.PUBCHEM 004022067.mol (via Jmol)
004022161.b3lyp_6-31g(d).inp

004022161.b3lyp_6-31g(d).qchem.inp (generated)

004022161.b3lyp_6-31g(d).gjf (generated)

004022161.b3lyp_6-31g(d).firefly.inp (generated)

004022161.b3lyp_6-31g(d).smash.inp (generated)

004022161.b3lyp_6-31g(d).nwchem.inp (generated) 004022161.b3lyp_6-31g(d).log.xz 004022161.td-b3lyp_6-31g+(d).inp 004022161.td-b3lyp_6-31g+(d).log.xz

004022161.td-b3lyp_6-31+g(d).qchem.inp (generated)

004022161.td-b3lyp_6-31+g(d).gjf (generated)

004022161.td-b3lyp_6-31+g(d).firefly.inp (generated)

004022161.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004022161.mol 004022161.PUBCHEM 004022161.mol (via Jmol)
004022163.b3lyp_6-31g(d).inp

004022163.b3lyp_6-31g(d).qchem.inp (generated)

004022163.b3lyp_6-31g(d).gjf (generated)

004022163.b3lyp_6-31g(d).firefly.inp (generated)

004022163.b3lyp_6-31g(d).smash.inp (generated)

004022163.b3lyp_6-31g(d).nwchem.inp (generated) 004022163.b3lyp_6-31g(d).log.xz 004022163.td-b3lyp_6-31g+(d).inp 004022163.td-b3lyp_6-31g+(d).log.xz

004022163.td-b3lyp_6-31+g(d).qchem.inp (generated)

004022163.td-b3lyp_6-31+g(d).gjf (generated)

004022163.td-b3lyp_6-31+g(d).firefly.inp (generated)

004022163.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004022163.mol 004022163.PUBCHEM 004022163.mol (via Jmol)
004022164.b3lyp_6-31g(d).inp

004022164.b3lyp_6-31g(d).qchem.inp (generated)

004022164.b3lyp_6-31g(d).gjf (generated)

004022164.b3lyp_6-31g(d).firefly.inp (generated)

004022164.b3lyp_6-31g(d).smash.inp (generated)

004022164.b3lyp_6-31g(d).nwchem.inp (generated) 004022164.b3lyp_6-31g(d).log.xz 004022164.td-b3lyp_6-31g+(d).inp 004022164.td-b3lyp_6-31g+(d).log.xz

004022164.td-b3lyp_6-31+g(d).qchem.inp (generated)

004022164.td-b3lyp_6-31+g(d).gjf (generated)

004022164.td-b3lyp_6-31+g(d).firefly.inp (generated)

004022164.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004022164.mol 004022164.PUBCHEM 004022164.mol (via Jmol)
004022314.b3lyp_6-31g(d).inp

004022314.b3lyp_6-31g(d).qchem.inp (generated)

004022314.b3lyp_6-31g(d).gjf (generated)

004022314.b3lyp_6-31g(d).firefly.inp (generated)

004022314.b3lyp_6-31g(d).smash.inp (generated)

004022314.b3lyp_6-31g(d).nwchem.inp (generated) 004022314.b3lyp_6-31g(d).log.xz 004022314.td-b3lyp_6-31g+(d).inp 004022314.td-b3lyp_6-31g+(d).log.xz

004022314.td-b3lyp_6-31+g(d).qchem.inp (generated)

004022314.td-b3lyp_6-31+g(d).gjf (generated)

004022314.td-b3lyp_6-31+g(d).firefly.inp (generated)

004022314.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004022314.mol 004022314.PUBCHEM 004022314.mol (via Jmol)
004022330.b3lyp_6-31g(d).inp

004022330.b3lyp_6-31g(d).qchem.inp (generated)

004022330.b3lyp_6-31g(d).gjf (generated)

004022330.b3lyp_6-31g(d).firefly.inp (generated)

004022330.b3lyp_6-31g(d).smash.inp (generated)

004022330.b3lyp_6-31g(d).nwchem.inp (generated) 004022330.b3lyp_6-31g(d).log.xz 004022330.td-b3lyp_6-31g+(d).inp 004022330.td-b3lyp_6-31g+(d).log.xz

004022330.td-b3lyp_6-31+g(d).qchem.inp (generated)

004022330.td-b3lyp_6-31+g(d).gjf (generated)

004022330.td-b3lyp_6-31+g(d).firefly.inp (generated)

004022330.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004022330.mol 004022330.PUBCHEM 004022330.mol (via Jmol)
004022384.b3lyp_6-31g(d).inp

004022384.b3lyp_6-31g(d).qchem.inp (generated)

004022384.b3lyp_6-31g(d).gjf (generated)

004022384.b3lyp_6-31g(d).firefly.inp (generated)

004022384.b3lyp_6-31g(d).smash.inp (generated)

004022384.b3lyp_6-31g(d).nwchem.inp (generated) 004022384.b3lyp_6-31g(d).log.xz 004022384.td-b3lyp_6-31g+(d).inp 004022384.td-b3lyp_6-31g+(d).log.xz

004022384.td-b3lyp_6-31+g(d).qchem.inp (generated)

004022384.td-b3lyp_6-31+g(d).gjf (generated)

004022384.td-b3lyp_6-31+g(d).firefly.inp (generated)

004022384.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004022384.mol 004022384.PUBCHEM 004022384.mol (via Jmol)
004022431.b3lyp_6-31g(d).inp

004022431.b3lyp_6-31g(d).qchem.inp (generated)

004022431.b3lyp_6-31g(d).gjf (generated)

004022431.b3lyp_6-31g(d).firefly.inp (generated)

004022431.b3lyp_6-31g(d).smash.inp (generated)

004022431.b3lyp_6-31g(d).nwchem.inp (generated) 004022431.b3lyp_6-31g(d).log.xz 004022431.td-b3lyp_6-31g+(d).inp 004022431.td-b3lyp_6-31g+(d).log.xz

004022431.td-b3lyp_6-31+g(d).qchem.inp (generated)

004022431.td-b3lyp_6-31+g(d).gjf (generated)

004022431.td-b3lyp_6-31+g(d).firefly.inp (generated)

004022431.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004022431.mol 004022431.PUBCHEM 004022431.mol (via Jmol)
004022433.b3lyp_6-31g(d).inp

004022433.b3lyp_6-31g(d).qchem.inp (generated)

004022433.b3lyp_6-31g(d).gjf (generated)

004022433.b3lyp_6-31g(d).firefly.inp (generated)

004022433.b3lyp_6-31g(d).smash.inp (generated)

004022433.b3lyp_6-31g(d).nwchem.inp (generated) 004022433.b3lyp_6-31g(d).log.xz 004022433.td-b3lyp_6-31g+(d).inp 004022433.td-b3lyp_6-31g+(d).log.xz

004022433.td-b3lyp_6-31+g(d).qchem.inp (generated)

004022433.td-b3lyp_6-31+g(d).gjf (generated)

004022433.td-b3lyp_6-31+g(d).firefly.inp (generated)

004022433.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004022433.mol 004022433.PUBCHEM 004022433.mol (via Jmol)
004022516.b3lyp_6-31g(d).inp

004022516.b3lyp_6-31g(d).qchem.inp (generated)

004022516.b3lyp_6-31g(d).gjf (generated)

004022516.b3lyp_6-31g(d).firefly.inp (generated)

004022516.b3lyp_6-31g(d).smash.inp (generated)

004022516.b3lyp_6-31g(d).nwchem.inp (generated) 004022516.b3lyp_6-31g(d).log.xz 004022516.td-b3lyp_6-31g+(d).inp 004022516.td-b3lyp_6-31g+(d).log.xz

004022516.td-b3lyp_6-31+g(d).qchem.inp (generated)

004022516.td-b3lyp_6-31+g(d).gjf (generated)

004022516.td-b3lyp_6-31+g(d).firefly.inp (generated)

004022516.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004022516.mol 004022516.PUBCHEM 004022516.mol (via Jmol)
004022680.b3lyp_6-31g(d).inp

004022680.b3lyp_6-31g(d).qchem.inp (generated)

004022680.b3lyp_6-31g(d).gjf (generated)

004022680.b3lyp_6-31g(d).firefly.inp (generated)

004022680.b3lyp_6-31g(d).smash.inp (generated)

004022680.b3lyp_6-31g(d).nwchem.inp (generated) 004022680.b3lyp_6-31g(d).log.xz 004022680.mol 004022680.PUBCHEM 004022680.mol (via Jmol)
004022685.b3lyp_6-31g(d).inp

004022685.b3lyp_6-31g(d).qchem.inp (generated)

004022685.b3lyp_6-31g(d).gjf (generated)

004022685.b3lyp_6-31g(d).firefly.inp (generated)

004022685.b3lyp_6-31g(d).smash.inp (generated)

004022685.b3lyp_6-31g(d).nwchem.inp (generated) 004022685.b3lyp_6-31g(d).log.xz 004022685.mol 004022685.PUBCHEM 004022685.mol (via Jmol)
004022829.b3lyp_6-31g(d).inp

004022829.b3lyp_6-31g(d).qchem.inp (generated)

004022829.b3lyp_6-31g(d).gjf (generated)

004022829.b3lyp_6-31g(d).firefly.inp (generated)

004022829.b3lyp_6-31g(d).smash.inp (generated)

004022829.b3lyp_6-31g(d).nwchem.inp (generated) 004022829.b3lyp_6-31g(d).log.xz 004022829.td-b3lyp_6-31g+(d).inp 004022829.td-b3lyp_6-31g+(d).log.xz

004022829.td-b3lyp_6-31+g(d).qchem.inp (generated)

004022829.td-b3lyp_6-31+g(d).gjf (generated)

004022829.td-b3lyp_6-31+g(d).firefly.inp (generated)

004022829.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004022829.mol 004022829.PUBCHEM 004022829.mol (via Jmol)
004022853.b3lyp_6-31g(d).inp

004022853.b3lyp_6-31g(d).qchem.inp (generated)

004022853.b3lyp_6-31g(d).gjf (generated)

004022853.b3lyp_6-31g(d).firefly.inp (generated)

004022853.b3lyp_6-31g(d).smash.inp (generated)

004022853.b3lyp_6-31g(d).nwchem.inp (generated) 004022853.b3lyp_6-31g(d).log.xz 004022853.td-b3lyp_6-31g+(d).inp 004022853.td-b3lyp_6-31g+(d).log.xz

004022853.td-b3lyp_6-31+g(d).qchem.inp (generated)

004022853.td-b3lyp_6-31+g(d).gjf (generated)

004022853.td-b3lyp_6-31+g(d).firefly.inp (generated)

004022853.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004022853.mol 004022853.PUBCHEM 004022853.mol (via Jmol)
004022871.b3lyp_6-31g(d).inp

004022871.b3lyp_6-31g(d).qchem.inp (generated)

004022871.b3lyp_6-31g(d).gjf (generated)

004022871.b3lyp_6-31g(d).firefly.inp (generated)

004022871.b3lyp_6-31g(d).smash.inp (generated)

004022871.b3lyp_6-31g(d).nwchem.inp (generated) 004022871.b3lyp_6-31g(d).log.xz 004022871.mol 004022871.PUBCHEM 004022871.mol (via Jmol)
004023026.b3lyp_6-31g(d).inp

004023026.b3lyp_6-31g(d).qchem.inp (generated)

004023026.b3lyp_6-31g(d).gjf (generated)

004023026.b3lyp_6-31g(d).firefly.inp (generated)

004023026.b3lyp_6-31g(d).smash.inp (generated)

004023026.b3lyp_6-31g(d).nwchem.inp (generated) 004023026.b3lyp_6-31g(d).log.xz 004023026.td-b3lyp_6-31g+(d).inp 004023026.td-b3lyp_6-31g+(d).log.xz

004023026.td-b3lyp_6-31+g(d).qchem.inp (generated)

004023026.td-b3lyp_6-31+g(d).gjf (generated)

004023026.td-b3lyp_6-31+g(d).firefly.inp (generated)

004023026.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004023026.mol 004023026.PUBCHEM 004023026.mol (via Jmol)
004023060.b3lyp_6-31g(d).inp

004023060.b3lyp_6-31g(d).qchem.inp (generated)

004023060.b3lyp_6-31g(d).gjf (generated)

004023060.b3lyp_6-31g(d).firefly.inp (generated)

004023060.b3lyp_6-31g(d).smash.inp (generated)

004023060.b3lyp_6-31g(d).nwchem.inp (generated) 004023060.b3lyp_6-31g(d).log.xz 004023060.td-b3lyp_6-31g+(d).inp 004023060.td-b3lyp_6-31g+(d).log.xz

004023060.td-b3lyp_6-31+g(d).qchem.inp (generated)

004023060.td-b3lyp_6-31+g(d).gjf (generated)

004023060.td-b3lyp_6-31+g(d).firefly.inp (generated)

004023060.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004023060.mol 004023060.PUBCHEM 004023060.mol (via Jmol)
004023079.b3lyp_6-31g(d).inp

004023079.b3lyp_6-31g(d).qchem.inp (generated)

004023079.b3lyp_6-31g(d).gjf (generated)

004023079.b3lyp_6-31g(d).firefly.inp (generated)

004023079.b3lyp_6-31g(d).smash.inp (generated)

004023079.b3lyp_6-31g(d).nwchem.inp (generated) 004023079.b3lyp_6-31g(d).log.xz 004023079.td-b3lyp_6-31g+(d).inp 004023079.td-b3lyp_6-31g+(d).log.xz

004023079.td-b3lyp_6-31+g(d).qchem.inp (generated)

004023079.td-b3lyp_6-31+g(d).gjf (generated)

004023079.td-b3lyp_6-31+g(d).firefly.inp (generated)

004023079.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004023079.mol 004023079.PUBCHEM 004023079.mol (via Jmol)
004023116.b3lyp_6-31g(d).inp

004023116.b3lyp_6-31g(d).qchem.inp (generated)

004023116.b3lyp_6-31g(d).gjf (generated)

004023116.b3lyp_6-31g(d).firefly.inp (generated)

004023116.b3lyp_6-31g(d).smash.inp (generated)

004023116.b3lyp_6-31g(d).nwchem.inp (generated) 004023116.b3lyp_6-31g(d).log.xz 004023116.td-b3lyp_6-31g+(d).inp 004023116.td-b3lyp_6-31g+(d).log.xz

004023116.td-b3lyp_6-31+g(d).qchem.inp (generated)

004023116.td-b3lyp_6-31+g(d).gjf (generated)

004023116.td-b3lyp_6-31+g(d).firefly.inp (generated)

004023116.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004023116.mol 004023116.PUBCHEM 004023116.mol (via Jmol)
004023156.b3lyp_6-31g(d).inp

004023156.b3lyp_6-31g(d).qchem.inp (generated)

004023156.b3lyp_6-31g(d).gjf (generated)

004023156.b3lyp_6-31g(d).firefly.inp (generated)

004023156.b3lyp_6-31g(d).smash.inp (generated)

004023156.b3lyp_6-31g(d).nwchem.inp (generated) 004023156.b3lyp_6-31g(d).log.xz 004023156.td-b3lyp_6-31g+(d).inp 004023156.td-b3lyp_6-31g+(d).log.xz

004023156.td-b3lyp_6-31+g(d).qchem.inp (generated)

004023156.td-b3lyp_6-31+g(d).gjf (generated)

004023156.td-b3lyp_6-31+g(d).firefly.inp (generated)

004023156.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004023156.mol 004023156.PUBCHEM 004023156.mol (via Jmol)
004023165.b3lyp_6-31g(d).inp

004023165.b3lyp_6-31g(d).qchem.inp (generated)

004023165.b3lyp_6-31g(d).gjf (generated)

004023165.b3lyp_6-31g(d).firefly.inp (generated)

004023165.b3lyp_6-31g(d).smash.inp (generated)

004023165.b3lyp_6-31g(d).nwchem.inp (generated) 004023165.b3lyp_6-31g(d).log.xz 004023165.td-b3lyp_6-31g+(d).inp 004023165.td-b3lyp_6-31g+(d).log.xz

004023165.td-b3lyp_6-31+g(d).qchem.inp (generated)

004023165.td-b3lyp_6-31+g(d).gjf (generated)

004023165.td-b3lyp_6-31+g(d).firefly.inp (generated)

004023165.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004023165.mol 004023165.PUBCHEM 004023165.mol (via Jmol)
004023214.b3lyp_6-31g(d).inp

004023214.b3lyp_6-31g(d).qchem.inp (generated)

004023214.b3lyp_6-31g(d).gjf (generated)

004023214.b3lyp_6-31g(d).firefly.inp (generated)

004023214.b3lyp_6-31g(d).smash.inp (generated)

004023214.b3lyp_6-31g(d).nwchem.inp (generated) 004023214.b3lyp_6-31g(d).log.xz 004023214.td-b3lyp_6-31g+(d).inp 004023214.td-b3lyp_6-31g+(d).log.xz

004023214.td-b3lyp_6-31+g(d).qchem.inp (generated)

004023214.td-b3lyp_6-31+g(d).gjf (generated)

004023214.td-b3lyp_6-31+g(d).firefly.inp (generated)

004023214.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004023214.mol 004023214.PUBCHEM 004023214.mol (via Jmol)
004023252.b3lyp_6-31g(d).inp

004023252.b3lyp_6-31g(d).qchem.inp (generated)

004023252.b3lyp_6-31g(d).gjf (generated)

004023252.b3lyp_6-31g(d).firefly.inp (generated)

004023252.b3lyp_6-31g(d).smash.inp (generated)

004023252.b3lyp_6-31g(d).nwchem.inp (generated) 004023252.b3lyp_6-31g(d).log.xz 004023252.td-b3lyp_6-31g+(d).inp 004023252.td-b3lyp_6-31g+(d).log.xz

004023252.td-b3lyp_6-31+g(d).qchem.inp (generated)

004023252.td-b3lyp_6-31+g(d).gjf (generated)

004023252.td-b3lyp_6-31+g(d).firefly.inp (generated)

004023252.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004023252.mol 004023252.PUBCHEM 004023252.mol (via Jmol)
004023305.b3lyp_6-31g(d).inp

004023305.b3lyp_6-31g(d).qchem.inp (generated)

004023305.b3lyp_6-31g(d).gjf (generated)

004023305.b3lyp_6-31g(d).firefly.inp (generated)

004023305.b3lyp_6-31g(d).smash.inp (generated)

004023305.b3lyp_6-31g(d).nwchem.inp (generated) 004023305.b3lyp_6-31g(d).log.xz 004023305.td-b3lyp_6-31g+(d).inp 004023305.td-b3lyp_6-31g+(d).log.xz

004023305.td-b3lyp_6-31+g(d).qchem.inp (generated)

004023305.td-b3lyp_6-31+g(d).gjf (generated)

004023305.td-b3lyp_6-31+g(d).firefly.inp (generated)

004023305.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004023305.mol 004023305.PUBCHEM 004023305.mol (via Jmol)
004023306.b3lyp_6-31g(d).inp

004023306.b3lyp_6-31g(d).qchem.inp (generated)

004023306.b3lyp_6-31g(d).gjf (generated)

004023306.b3lyp_6-31g(d).firefly.inp (generated)

004023306.b3lyp_6-31g(d).smash.inp (generated)

004023306.b3lyp_6-31g(d).nwchem.inp (generated) 004023306.b3lyp_6-31g(d).log.xz 004023306.mol 004023306.PUBCHEM 004023306.mol (via Jmol)
004023417.b3lyp_6-31g(d).inp

004023417.b3lyp_6-31g(d).qchem.inp (generated)

004023417.b3lyp_6-31g(d).gjf (generated)

004023417.b3lyp_6-31g(d).firefly.inp (generated)

004023417.b3lyp_6-31g(d).smash.inp (generated)

004023417.b3lyp_6-31g(d).nwchem.inp (generated) 004023417.b3lyp_6-31g(d).log.xz 004023417.td-b3lyp_6-31g+(d).inp 004023417.td-b3lyp_6-31g+(d).log.xz

004023417.td-b3lyp_6-31+g(d).qchem.inp (generated)

004023417.td-b3lyp_6-31+g(d).gjf (generated)

004023417.td-b3lyp_6-31+g(d).firefly.inp (generated)

004023417.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004023417.mol 004023417.PUBCHEM 004023417.mol (via Jmol)
004023458.b3lyp_6-31g(d).inp

004023458.b3lyp_6-31g(d).qchem.inp (generated)

004023458.b3lyp_6-31g(d).gjf (generated)

004023458.b3lyp_6-31g(d).firefly.inp (generated)

004023458.b3lyp_6-31g(d).smash.inp (generated)

004023458.b3lyp_6-31g(d).nwchem.inp (generated) 004023458.b3lyp_6-31g(d).log.xz 004023458.td-b3lyp_6-31g+(d).inp 004023458.td-b3lyp_6-31g+(d).log.xz

004023458.td-b3lyp_6-31+g(d).qchem.inp (generated)

004023458.td-b3lyp_6-31+g(d).gjf (generated)

004023458.td-b3lyp_6-31+g(d).firefly.inp (generated)

004023458.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004023458.mol 004023458.PUBCHEM 004023458.mol (via Jmol)
004023469.b3lyp_6-31g(d).inp

004023469.b3lyp_6-31g(d).qchem.inp (generated)

004023469.b3lyp_6-31g(d).gjf (generated)

004023469.b3lyp_6-31g(d).firefly.inp (generated)

004023469.b3lyp_6-31g(d).smash.inp (generated)

004023469.b3lyp_6-31g(d).nwchem.inp (generated) 004023469.b3lyp_6-31g(d).log.xz 004023469.td-b3lyp_6-31g+(d).inp 004023469.td-b3lyp_6-31g+(d).log.xz

004023469.td-b3lyp_6-31+g(d).qchem.inp (generated)

004023469.td-b3lyp_6-31+g(d).gjf (generated)

004023469.td-b3lyp_6-31+g(d).firefly.inp (generated)

004023469.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004023469.mol 004023469.PUBCHEM 004023469.mol (via Jmol)
004023550.b3lyp_6-31g(d).inp

004023550.b3lyp_6-31g(d).qchem.inp (generated)

004023550.b3lyp_6-31g(d).gjf (generated)

004023550.b3lyp_6-31g(d).firefly.inp (generated)

004023550.b3lyp_6-31g(d).smash.inp (generated)

004023550.b3lyp_6-31g(d).nwchem.inp (generated) 004023550.b3lyp_6-31g(d).log.xz 004023550.td-b3lyp_6-31g+(d).inp 004023550.td-b3lyp_6-31g+(d).log.xz

004023550.td-b3lyp_6-31+g(d).qchem.inp (generated)

004023550.td-b3lyp_6-31+g(d).gjf (generated)

004023550.td-b3lyp_6-31+g(d).firefly.inp (generated)

004023550.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004023550.mol 004023550.PUBCHEM 004023550.mol (via Jmol)
004023553.b3lyp_6-31g(d).inp

004023553.b3lyp_6-31g(d).qchem.inp (generated)

004023553.b3lyp_6-31g(d).gjf (generated)

004023553.b3lyp_6-31g(d).firefly.inp (generated)

004023553.b3lyp_6-31g(d).smash.inp (generated)

004023553.b3lyp_6-31g(d).nwchem.inp (generated) 004023553.b3lyp_6-31g(d).log.xz 004023553.td-b3lyp_6-31g+(d).inp 004023553.td-b3lyp_6-31g+(d).log.xz

004023553.td-b3lyp_6-31+g(d).qchem.inp (generated)

004023553.td-b3lyp_6-31+g(d).gjf (generated)

004023553.td-b3lyp_6-31+g(d).firefly.inp (generated)

004023553.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004023553.mol 004023553.PUBCHEM 004023553.mol (via Jmol)
004023559.b3lyp_6-31g(d).inp

004023559.b3lyp_6-31g(d).qchem.inp (generated)

004023559.b3lyp_6-31g(d).gjf (generated)

004023559.b3lyp_6-31g(d).firefly.inp (generated)

004023559.b3lyp_6-31g(d).smash.inp (generated)

004023559.b3lyp_6-31g(d).nwchem.inp (generated) 004023559.b3lyp_6-31g(d).log.xz 004023559.td-b3lyp_6-31g+(d).inp 004023559.td-b3lyp_6-31g+(d).log.xz

004023559.td-b3lyp_6-31+g(d).qchem.inp (generated)

004023559.td-b3lyp_6-31+g(d).gjf (generated)

004023559.td-b3lyp_6-31+g(d).firefly.inp (generated)

004023559.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004023559.mol 004023559.PUBCHEM 004023559.mol (via Jmol)
004023575.b3lyp_6-31g(d).inp

004023575.b3lyp_6-31g(d).qchem.inp (generated)

004023575.b3lyp_6-31g(d).gjf (generated)

004023575.b3lyp_6-31g(d).firefly.inp (generated)

004023575.b3lyp_6-31g(d).smash.inp (generated)

004023575.b3lyp_6-31g(d).nwchem.inp (generated) 004023575.b3lyp_6-31g(d).log.xz 004023575.td-b3lyp_6-31g+(d).inp 004023575.td-b3lyp_6-31g+(d).log.xz

004023575.td-b3lyp_6-31+g(d).qchem.inp (generated)

004023575.td-b3lyp_6-31+g(d).gjf (generated)

004023575.td-b3lyp_6-31+g(d).firefly.inp (generated)

004023575.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004023575.mol 004023575.PUBCHEM 004023575.mol (via Jmol)
004023605.b3lyp_6-31g(d).inp

004023605.b3lyp_6-31g(d).qchem.inp (generated)

004023605.b3lyp_6-31g(d).gjf (generated)

004023605.b3lyp_6-31g(d).firefly.inp (generated)

004023605.b3lyp_6-31g(d).smash.inp (generated)

004023605.b3lyp_6-31g(d).nwchem.inp (generated) 004023605.b3lyp_6-31g(d).log.xz 004023605.td-b3lyp_6-31g+(d).inp 004023605.td-b3lyp_6-31g+(d).log.xz

004023605.td-b3lyp_6-31+g(d).qchem.inp (generated)

004023605.td-b3lyp_6-31+g(d).gjf (generated)

004023605.td-b3lyp_6-31+g(d).firefly.inp (generated)

004023605.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004023605.mol 004023605.PUBCHEM 004023605.mol (via Jmol)
004023633.b3lyp_6-31g(d).inp

004023633.b3lyp_6-31g(d).qchem.inp (generated)

004023633.b3lyp_6-31g(d).gjf (generated)

004023633.b3lyp_6-31g(d).firefly.inp (generated)

004023633.b3lyp_6-31g(d).smash.inp (generated)

004023633.b3lyp_6-31g(d).nwchem.inp (generated) 004023633.b3lyp_6-31g(d).log.xz 004023633.td-b3lyp_6-31g+(d).inp 004023633.td-b3lyp_6-31g+(d).log.xz

004023633.td-b3lyp_6-31+g(d).qchem.inp (generated)

004023633.td-b3lyp_6-31+g(d).gjf (generated)

004023633.td-b3lyp_6-31+g(d).firefly.inp (generated)

004023633.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004023633.mol 004023633.PUBCHEM 004023633.mol (via Jmol)
004023641.b3lyp_6-31g(d).inp

004023641.b3lyp_6-31g(d).qchem.inp (generated)

004023641.b3lyp_6-31g(d).gjf (generated)

004023641.b3lyp_6-31g(d).firefly.inp (generated)

004023641.b3lyp_6-31g(d).smash.inp (generated)

004023641.b3lyp_6-31g(d).nwchem.inp (generated) 004023641.b3lyp_6-31g(d).log.xz 004023641.mol 004023641.PUBCHEM 004023641.mol (via Jmol)
004023742.b3lyp_6-31g(d).inp

004023742.b3lyp_6-31g(d).qchem.inp (generated)

004023742.b3lyp_6-31g(d).gjf (generated)

004023742.b3lyp_6-31g(d).firefly.inp (generated)

004023742.b3lyp_6-31g(d).smash.inp (generated)

004023742.b3lyp_6-31g(d).nwchem.inp (generated) 004023742.b3lyp_6-31g(d).log.xz 004023742.td-b3lyp_6-31g+(d).inp 004023742.td-b3lyp_6-31g+(d).log.xz

004023742.td-b3lyp_6-31+g(d).qchem.inp (generated)

004023742.td-b3lyp_6-31+g(d).gjf (generated)

004023742.td-b3lyp_6-31+g(d).firefly.inp (generated)

004023742.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004023742.mol 004023742.PUBCHEM 004023742.mol (via Jmol)
004023761.b3lyp_6-31g(d).inp

004023761.b3lyp_6-31g(d).qchem.inp (generated)

004023761.b3lyp_6-31g(d).gjf (generated)

004023761.b3lyp_6-31g(d).firefly.inp (generated)

004023761.b3lyp_6-31g(d).smash.inp (generated)

004023761.b3lyp_6-31g(d).nwchem.inp (generated) 004023761.b3lyp_6-31g(d).log.xz 004023761.td-b3lyp_6-31g+(d).inp 004023761.td-b3lyp_6-31g+(d).log.xz

004023761.td-b3lyp_6-31+g(d).qchem.inp (generated)

004023761.td-b3lyp_6-31+g(d).gjf (generated)

004023761.td-b3lyp_6-31+g(d).firefly.inp (generated)

004023761.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004023761.mol 004023761.PUBCHEM 004023761.mol (via Jmol)
004023802.b3lyp_6-31g(d).inp

004023802.b3lyp_6-31g(d).qchem.inp (generated)

004023802.b3lyp_6-31g(d).gjf (generated)

004023802.b3lyp_6-31g(d).firefly.inp (generated)

004023802.b3lyp_6-31g(d).smash.inp (generated)

004023802.b3lyp_6-31g(d).nwchem.inp (generated) 004023802.b3lyp_6-31g(d).log.xz 004023802.td-b3lyp_6-31g+(d).inp 004023802.td-b3lyp_6-31g+(d).log.xz

004023802.td-b3lyp_6-31+g(d).qchem.inp (generated)

004023802.td-b3lyp_6-31+g(d).gjf (generated)

004023802.td-b3lyp_6-31+g(d).firefly.inp (generated)

004023802.td-b3lyp_6-31+g(d).nwchem.inp (generated) 004023802.mol 004023802.PUBCHEM 004023802.mol (via Jmol)
004023967.b3lyp_6-31g(d).inp

004023967.b3lyp_6-31g(d).qchem.inp (generated)

004023967.b3lyp_6-31g(d).gjf (generated)

004023967.b3lyp_6-31g(d).firefly.inp (generated)

004023967.b3lyp_6-31g(d).smash.inp (generated)