Index of

Last updated : Thu Jun 29 02:21:09 JST 2017
Total : 853 (754) in this page
012100005.b3lyp_6-31g(d).inp

012100005.b3lyp_6-31g(d).qchem.inp (generated)

012100005.b3lyp_6-31g(d).gjf (generated)

012100005.b3lyp_6-31g(d).firefly.inp (generated)

012100005.b3lyp_6-31g(d).smash.inp (generated)

012100005.b3lyp_6-31g(d).nwchem.inp (generated) 012100005.b3lyp_6-31g(d).log.xz 012100005.td-b3lyp_6-31g+(d).inp 012100005.td-b3lyp_6-31g+(d).log.xz

012100005.td-b3lyp_6-31+g(d).qchem.inp (generated)

012100005.td-b3lyp_6-31+g(d).gjf (generated)

012100005.td-b3lyp_6-31+g(d).firefly.inp (generated)

012100005.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012100005.mol 012100005.PUBCHEM 012100005.mol (via Jmol)
012100006.b3lyp_6-31g(d).inp

012100006.b3lyp_6-31g(d).qchem.inp (generated)

012100006.b3lyp_6-31g(d).gjf (generated)

012100006.b3lyp_6-31g(d).firefly.inp (generated)

012100006.b3lyp_6-31g(d).smash.inp (generated)

012100006.b3lyp_6-31g(d).nwchem.inp (generated) 012100006.b3lyp_6-31g(d).log.xz 012100006.td-b3lyp_6-31g+(d).inp 012100006.td-b3lyp_6-31g+(d).log.xz

012100006.td-b3lyp_6-31+g(d).qchem.inp (generated)

012100006.td-b3lyp_6-31+g(d).gjf (generated)

012100006.td-b3lyp_6-31+g(d).firefly.inp (generated)

012100006.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012100006.mol 012100006.PUBCHEM 012100006.mol (via Jmol)
012100008.b3lyp_6-31g(d).inp

012100008.b3lyp_6-31g(d).qchem.inp (generated)

012100008.b3lyp_6-31g(d).gjf (generated)

012100008.b3lyp_6-31g(d).firefly.inp (generated)

012100008.b3lyp_6-31g(d).smash.inp (generated)

012100008.b3lyp_6-31g(d).nwchem.inp (generated) 012100008.b3lyp_6-31g(d).log.xz 012100008.td-b3lyp_6-31g+(d).inp 012100008.td-b3lyp_6-31g+(d).log.xz

012100008.td-b3lyp_6-31+g(d).qchem.inp (generated)

012100008.td-b3lyp_6-31+g(d).gjf (generated)

012100008.td-b3lyp_6-31+g(d).firefly.inp (generated)

012100008.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012100008.mol 012100008.PUBCHEM 012100008.mol (via Jmol)
012100009.b3lyp_6-31g(d).inp

012100009.b3lyp_6-31g(d).qchem.inp (generated)

012100009.b3lyp_6-31g(d).gjf (generated)

012100009.b3lyp_6-31g(d).firefly.inp (generated)

012100009.b3lyp_6-31g(d).smash.inp (generated)

012100009.b3lyp_6-31g(d).nwchem.inp (generated) 012100009.b3lyp_6-31g(d).log.xz 012100009.td-b3lyp_6-31g+(d).inp 012100009.td-b3lyp_6-31g+(d).log.xz

012100009.td-b3lyp_6-31+g(d).qchem.inp (generated)

012100009.td-b3lyp_6-31+g(d).gjf (generated)

012100009.td-b3lyp_6-31+g(d).firefly.inp (generated)

012100009.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012100009.mol 012100009.PUBCHEM 012100009.mol (via Jmol)
012100022.b3lyp_6-31g(d).inp

012100022.b3lyp_6-31g(d).qchem.inp (generated)

012100022.b3lyp_6-31g(d).gjf (generated)

012100022.b3lyp_6-31g(d).firefly.inp (generated)

012100022.b3lyp_6-31g(d).smash.inp (generated)

012100022.b3lyp_6-31g(d).nwchem.inp (generated) 012100022.b3lyp_6-31g(d).log.xz 012100022.td-b3lyp_6-31g+(d).inp 012100022.td-b3lyp_6-31g+(d).log.xz

012100022.td-b3lyp_6-31+g(d).qchem.inp (generated)

012100022.td-b3lyp_6-31+g(d).gjf (generated)

012100022.td-b3lyp_6-31+g(d).firefly.inp (generated)

012100022.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012100022.mol 012100022.PUBCHEM 012100022.mol (via Jmol)
012100023.b3lyp_6-31g(d).inp

012100023.b3lyp_6-31g(d).qchem.inp (generated)

012100023.b3lyp_6-31g(d).gjf (generated)

012100023.b3lyp_6-31g(d).firefly.inp (generated)

012100023.b3lyp_6-31g(d).smash.inp (generated)

012100023.b3lyp_6-31g(d).nwchem.inp (generated) 012100023.b3lyp_6-31g(d).log.xz 012100023.td-b3lyp_6-31g+(d).inp 012100023.td-b3lyp_6-31g+(d).log.xz

012100023.td-b3lyp_6-31+g(d).qchem.inp (generated)

012100023.td-b3lyp_6-31+g(d).gjf (generated)

012100023.td-b3lyp_6-31+g(d).firefly.inp (generated)

012100023.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012100023.mol 012100023.PUBCHEM 012100023.mol (via Jmol)
012100024.b3lyp_6-31g(d).inp

012100024.b3lyp_6-31g(d).qchem.inp (generated)

012100024.b3lyp_6-31g(d).gjf (generated)

012100024.b3lyp_6-31g(d).firefly.inp (generated)

012100024.b3lyp_6-31g(d).smash.inp (generated)

012100024.b3lyp_6-31g(d).nwchem.inp (generated) 012100024.b3lyp_6-31g(d).log.xz 012100024.td-b3lyp_6-31g+(d).inp 012100024.td-b3lyp_6-31g+(d).log.xz

012100024.td-b3lyp_6-31+g(d).qchem.inp (generated)

012100024.td-b3lyp_6-31+g(d).gjf (generated)

012100024.td-b3lyp_6-31+g(d).firefly.inp (generated)

012100024.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012100024.mol 012100024.PUBCHEM 012100024.mol (via Jmol)
012100025.b3lyp_6-31g(d).inp

012100025.b3lyp_6-31g(d).qchem.inp (generated)

012100025.b3lyp_6-31g(d).gjf (generated)

012100025.b3lyp_6-31g(d).firefly.inp (generated)

012100025.b3lyp_6-31g(d).smash.inp (generated)

012100025.b3lyp_6-31g(d).nwchem.inp (generated) 012100025.b3lyp_6-31g(d).log.xz 012100025.td-b3lyp_6-31g+(d).inp 012100025.td-b3lyp_6-31g+(d).log.xz

012100025.td-b3lyp_6-31+g(d).qchem.inp (generated)

012100025.td-b3lyp_6-31+g(d).gjf (generated)

012100025.td-b3lyp_6-31+g(d).firefly.inp (generated)

012100025.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012100025.mol 012100025.PUBCHEM 012100025.mol (via Jmol)
012100058.b3lyp_6-31g(d).inp

012100058.b3lyp_6-31g(d).qchem.inp (generated)

012100058.b3lyp_6-31g(d).gjf (generated)

012100058.b3lyp_6-31g(d).firefly.inp (generated)

012100058.b3lyp_6-31g(d).smash.inp (generated)

012100058.b3lyp_6-31g(d).nwchem.inp (generated) 012100058.b3lyp_6-31g(d).log.xz 012100058.td-b3lyp_6-31g+(d).inp 012100058.td-b3lyp_6-31g+(d).log.xz

012100058.td-b3lyp_6-31+g(d).qchem.inp (generated)

012100058.td-b3lyp_6-31+g(d).gjf (generated)

012100058.td-b3lyp_6-31+g(d).firefly.inp (generated)

012100058.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012100058.mol 012100058.PUBCHEM 012100058.mol (via Jmol)
012100060.b3lyp_6-31g(d).inp

012100060.b3lyp_6-31g(d).qchem.inp (generated)

012100060.b3lyp_6-31g(d).gjf (generated)

012100060.b3lyp_6-31g(d).firefly.inp (generated)

012100060.b3lyp_6-31g(d).smash.inp (generated)

012100060.b3lyp_6-31g(d).nwchem.inp (generated) 012100060.b3lyp_6-31g(d).log.xz 012100060.mol 012100060.PUBCHEM 012100060.mol (via Jmol)
012100151.b3lyp_6-31g(d).inp

012100151.b3lyp_6-31g(d).qchem.inp (generated)

012100151.b3lyp_6-31g(d).gjf (generated)

012100151.b3lyp_6-31g(d).firefly.inp (generated)

012100151.b3lyp_6-31g(d).smash.inp (generated)

012100151.b3lyp_6-31g(d).nwchem.inp (generated) 012100151.b3lyp_6-31g(d).log.xz 012100151.td-b3lyp_6-31g+(d).inp 012100151.td-b3lyp_6-31g+(d).log.xz

012100151.td-b3lyp_6-31+g(d).qchem.inp (generated)

012100151.td-b3lyp_6-31+g(d).gjf (generated)

012100151.td-b3lyp_6-31+g(d).firefly.inp (generated)

012100151.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012100151.mol 012100151.PUBCHEM 012100151.mol (via Jmol)
012100167.b3lyp_6-31g(d).inp

012100167.b3lyp_6-31g(d).qchem.inp (generated)

012100167.b3lyp_6-31g(d).gjf (generated)

012100167.b3lyp_6-31g(d).firefly.inp (generated)

012100167.b3lyp_6-31g(d).smash.inp (generated)

012100167.b3lyp_6-31g(d).nwchem.inp (generated) 012100167.b3lyp_6-31g(d).log.xz 012100167.td-b3lyp_6-31g+(d).inp 012100167.td-b3lyp_6-31g+(d).log.xz

012100167.td-b3lyp_6-31+g(d).qchem.inp (generated)

012100167.td-b3lyp_6-31+g(d).gjf (generated)

012100167.td-b3lyp_6-31+g(d).firefly.inp (generated)

012100167.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012100167.mol 012100167.PUBCHEM 012100167.mol (via Jmol)
012100171.b3lyp_6-31g(d).inp

012100171.b3lyp_6-31g(d).qchem.inp (generated)

012100171.b3lyp_6-31g(d).gjf (generated)

012100171.b3lyp_6-31g(d).firefly.inp (generated)

012100171.b3lyp_6-31g(d).smash.inp (generated)

012100171.b3lyp_6-31g(d).nwchem.inp (generated) 012100171.b3lyp_6-31g(d).log.xz 012100171.td-b3lyp_6-31g+(d).inp 012100171.td-b3lyp_6-31g+(d).log.xz

012100171.td-b3lyp_6-31+g(d).qchem.inp (generated)

012100171.td-b3lyp_6-31+g(d).gjf (generated)

012100171.td-b3lyp_6-31+g(d).firefly.inp (generated)

012100171.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012100171.mol 012100171.PUBCHEM 012100171.mol (via Jmol)
012100230.b3lyp_6-31g(d).inp

012100230.b3lyp_6-31g(d).qchem.inp (generated)

012100230.b3lyp_6-31g(d).gjf (generated)

012100230.b3lyp_6-31g(d).firefly.inp (generated)

012100230.b3lyp_6-31g(d).smash.inp (generated)

012100230.b3lyp_6-31g(d).nwchem.inp (generated) 012100230.b3lyp_6-31g(d).log.xz 012100230.td-b3lyp_6-31g+(d).inp 012100230.td-b3lyp_6-31g+(d).log.xz

012100230.td-b3lyp_6-31+g(d).qchem.inp (generated)

012100230.td-b3lyp_6-31+g(d).gjf (generated)

012100230.td-b3lyp_6-31+g(d).firefly.inp (generated)

012100230.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012100230.mol 012100230.PUBCHEM 012100230.mol (via Jmol)
012100282.b3lyp_6-31g(d).inp

012100282.b3lyp_6-31g(d).qchem.inp (generated)

012100282.b3lyp_6-31g(d).gjf (generated)

012100282.b3lyp_6-31g(d).firefly.inp (generated)

012100282.b3lyp_6-31g(d).smash.inp (generated)

012100282.b3lyp_6-31g(d).nwchem.inp (generated) 012100282.b3lyp_6-31g(d).log.xz 012100282.td-b3lyp_6-31g+(d).inp 012100282.td-b3lyp_6-31g+(d).log.xz

012100282.td-b3lyp_6-31+g(d).qchem.inp (generated)

012100282.td-b3lyp_6-31+g(d).gjf (generated)

012100282.td-b3lyp_6-31+g(d).firefly.inp (generated)

012100282.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012100282.mol 012100282.PUBCHEM 012100282.mol (via Jmol)
012100292.b3lyp_6-31g(d).inp

012100292.b3lyp_6-31g(d).qchem.inp (generated)

012100292.b3lyp_6-31g(d).gjf (generated)

012100292.b3lyp_6-31g(d).firefly.inp (generated)

012100292.b3lyp_6-31g(d).smash.inp (generated)

012100292.b3lyp_6-31g(d).nwchem.inp (generated) 012100292.b3lyp_6-31g(d).log.xz 012100292.td-b3lyp_6-31g+(d).inp 012100292.td-b3lyp_6-31g+(d).log.xz

012100292.td-b3lyp_6-31+g(d).qchem.inp (generated)

012100292.td-b3lyp_6-31+g(d).gjf (generated)

012100292.td-b3lyp_6-31+g(d).firefly.inp (generated)

012100292.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012100292.mol 012100292.PUBCHEM 012100292.mol (via Jmol)
012100293.b3lyp_6-31g(d).inp

012100293.b3lyp_6-31g(d).qchem.inp (generated)

012100293.b3lyp_6-31g(d).gjf (generated)

012100293.b3lyp_6-31g(d).firefly.inp (generated)

012100293.b3lyp_6-31g(d).smash.inp (generated)

012100293.b3lyp_6-31g(d).nwchem.inp (generated) 012100293.b3lyp_6-31g(d).log.xz 012100293.td-b3lyp_6-31g+(d).inp 012100293.td-b3lyp_6-31g+(d).log.xz

012100293.td-b3lyp_6-31+g(d).qchem.inp (generated)

012100293.td-b3lyp_6-31+g(d).gjf (generated)

012100293.td-b3lyp_6-31+g(d).firefly.inp (generated)

012100293.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012100293.mol 012100293.PUBCHEM 012100293.mol (via Jmol)
012100351.b3lyp_6-31g(d).inp

012100351.b3lyp_6-31g(d).qchem.inp (generated)

012100351.b3lyp_6-31g(d).gjf (generated)

012100351.b3lyp_6-31g(d).firefly.inp (generated)

012100351.b3lyp_6-31g(d).smash.inp (generated)

012100351.b3lyp_6-31g(d).nwchem.inp (generated) 012100351.b3lyp_6-31g(d).log.xz 012100351.td-b3lyp_6-31g+(d).inp 012100351.td-b3lyp_6-31g+(d).log.xz

012100351.td-b3lyp_6-31+g(d).qchem.inp (generated)

012100351.td-b3lyp_6-31+g(d).gjf (generated)

012100351.td-b3lyp_6-31+g(d).firefly.inp (generated)

012100351.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012100351.mol 012100351.PUBCHEM 012100351.mol (via Jmol)
012100359.b3lyp_6-31g(d).inp

012100359.b3lyp_6-31g(d).qchem.inp (generated)

012100359.b3lyp_6-31g(d).gjf (generated)

012100359.b3lyp_6-31g(d).firefly.inp (generated)

012100359.b3lyp_6-31g(d).smash.inp (generated)

012100359.b3lyp_6-31g(d).nwchem.inp (generated) 012100359.b3lyp_6-31g(d).log.xz 012100359.td-b3lyp_6-31g+(d).inp 012100359.td-b3lyp_6-31g+(d).log.xz

012100359.td-b3lyp_6-31+g(d).qchem.inp (generated)

012100359.td-b3lyp_6-31+g(d).gjf (generated)

012100359.td-b3lyp_6-31+g(d).firefly.inp (generated)

012100359.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012100359.mol 012100359.PUBCHEM 012100359.mol (via Jmol)
012100395.b3lyp_6-31g(d).inp

012100395.b3lyp_6-31g(d).qchem.inp (generated)

012100395.b3lyp_6-31g(d).gjf (generated)

012100395.b3lyp_6-31g(d).firefly.inp (generated)

012100395.b3lyp_6-31g(d).smash.inp (generated)

012100395.b3lyp_6-31g(d).nwchem.inp (generated) 012100395.b3lyp_6-31g(d).log.xz 012100395.td-b3lyp_6-31g+(d).inp 012100395.td-b3lyp_6-31g+(d).log.xz

012100395.td-b3lyp_6-31+g(d).qchem.inp (generated)

012100395.td-b3lyp_6-31+g(d).gjf (generated)

012100395.td-b3lyp_6-31+g(d).firefly.inp (generated)

012100395.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012100395.mol 012100395.PUBCHEM 012100395.mol (via Jmol)
012100396.b3lyp_6-31g(d).inp

012100396.b3lyp_6-31g(d).qchem.inp (generated)

012100396.b3lyp_6-31g(d).gjf (generated)

012100396.b3lyp_6-31g(d).firefly.inp (generated)

012100396.b3lyp_6-31g(d).smash.inp (generated)

012100396.b3lyp_6-31g(d).nwchem.inp (generated) 012100396.b3lyp_6-31g(d).log.xz 012100396.td-b3lyp_6-31g+(d).inp 012100396.td-b3lyp_6-31g+(d).log.xz

012100396.td-b3lyp_6-31+g(d).qchem.inp (generated)

012100396.td-b3lyp_6-31+g(d).gjf (generated)

012100396.td-b3lyp_6-31+g(d).firefly.inp (generated)

012100396.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012100396.mol 012100396.PUBCHEM 012100396.mol (via Jmol)
012100397.b3lyp_6-31g(d).inp

012100397.b3lyp_6-31g(d).qchem.inp (generated)

012100397.b3lyp_6-31g(d).gjf (generated)

012100397.b3lyp_6-31g(d).firefly.inp (generated)

012100397.b3lyp_6-31g(d).smash.inp (generated)

012100397.b3lyp_6-31g(d).nwchem.inp (generated) 012100397.b3lyp_6-31g(d).log.xz 012100397.td-b3lyp_6-31g+(d).inp 012100397.td-b3lyp_6-31g+(d).log.xz

012100397.td-b3lyp_6-31+g(d).qchem.inp (generated)

012100397.td-b3lyp_6-31+g(d).gjf (generated)

012100397.td-b3lyp_6-31+g(d).firefly.inp (generated)

012100397.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012100397.mol 012100397.PUBCHEM 012100397.mol (via Jmol)
012100399.b3lyp_6-31g(d).inp

012100399.b3lyp_6-31g(d).qchem.inp (generated)

012100399.b3lyp_6-31g(d).gjf (generated)

012100399.b3lyp_6-31g(d).firefly.inp (generated)

012100399.b3lyp_6-31g(d).smash.inp (generated)

012100399.b3lyp_6-31g(d).nwchem.inp (generated) 012100399.b3lyp_6-31g(d).log.xz 012100399.td-b3lyp_6-31g+(d).inp 012100399.td-b3lyp_6-31g+(d).log.xz

012100399.td-b3lyp_6-31+g(d).qchem.inp (generated)

012100399.td-b3lyp_6-31+g(d).gjf (generated)

012100399.td-b3lyp_6-31+g(d).firefly.inp (generated)

012100399.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012100399.mol 012100399.PUBCHEM 012100399.mol (via Jmol)
012100400.b3lyp_6-31g(d).inp

012100400.b3lyp_6-31g(d).qchem.inp (generated)

012100400.b3lyp_6-31g(d).gjf (generated)

012100400.b3lyp_6-31g(d).firefly.inp (generated)

012100400.b3lyp_6-31g(d).smash.inp (generated)

012100400.b3lyp_6-31g(d).nwchem.inp (generated) 012100400.b3lyp_6-31g(d).log.xz 012100400.td-b3lyp_6-31g+(d).inp 012100400.td-b3lyp_6-31g+(d).log.xz

012100400.td-b3lyp_6-31+g(d).qchem.inp (generated)

012100400.td-b3lyp_6-31+g(d).gjf (generated)

012100400.td-b3lyp_6-31+g(d).firefly.inp (generated)

012100400.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012100400.mol 012100400.PUBCHEM 012100400.mol (via Jmol)
012100401.b3lyp_6-31g(d).inp

012100401.b3lyp_6-31g(d).qchem.inp (generated)

012100401.b3lyp_6-31g(d).gjf (generated)

012100401.b3lyp_6-31g(d).firefly.inp (generated)

012100401.b3lyp_6-31g(d).smash.inp (generated)

012100401.b3lyp_6-31g(d).nwchem.inp (generated) 012100401.b3lyp_6-31g(d).log.xz 012100401.td-b3lyp_6-31g+(d).inp 012100401.td-b3lyp_6-31g+(d).log.xz

012100401.td-b3lyp_6-31+g(d).qchem.inp (generated)

012100401.td-b3lyp_6-31+g(d).gjf (generated)

012100401.td-b3lyp_6-31+g(d).firefly.inp (generated)

012100401.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012100401.mol 012100401.PUBCHEM 012100401.mol (via Jmol)
012100403.b3lyp_6-31g(d).inp

012100403.b3lyp_6-31g(d).qchem.inp (generated)

012100403.b3lyp_6-31g(d).gjf (generated)

012100403.b3lyp_6-31g(d).firefly.inp (generated)

012100403.b3lyp_6-31g(d).smash.inp (generated)

012100403.b3lyp_6-31g(d).nwchem.inp (generated) 012100403.b3lyp_6-31g(d).log.xz 012100403.td-b3lyp_6-31g+(d).inp 012100403.td-b3lyp_6-31g+(d).log.xz

012100403.td-b3lyp_6-31+g(d).qchem.inp (generated)

012100403.td-b3lyp_6-31+g(d).gjf (generated)

012100403.td-b3lyp_6-31+g(d).firefly.inp (generated)

012100403.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012100403.mol 012100403.PUBCHEM 012100403.mol (via Jmol)
012100406.b3lyp_6-31g(d).inp

012100406.b3lyp_6-31g(d).qchem.inp (generated)

012100406.b3lyp_6-31g(d).gjf (generated)

012100406.b3lyp_6-31g(d).firefly.inp (generated)

012100406.b3lyp_6-31g(d).smash.inp (generated)

012100406.b3lyp_6-31g(d).nwchem.inp (generated) 012100406.b3lyp_6-31g(d).log.xz 012100406.td-b3lyp_6-31g+(d).inp 012100406.td-b3lyp_6-31g+(d).log.xz

012100406.td-b3lyp_6-31+g(d).qchem.inp (generated)

012100406.td-b3lyp_6-31+g(d).gjf (generated)

012100406.td-b3lyp_6-31+g(d).firefly.inp (generated)

012100406.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012100406.mol 012100406.PUBCHEM 012100406.mol (via Jmol)
012100407.b3lyp_6-31g(d).inp

012100407.b3lyp_6-31g(d).qchem.inp (generated)

012100407.b3lyp_6-31g(d).gjf (generated)

012100407.b3lyp_6-31g(d).firefly.inp (generated)

012100407.b3lyp_6-31g(d).smash.inp (generated)

012100407.b3lyp_6-31g(d).nwchem.inp (generated) 012100407.b3lyp_6-31g(d).log.xz 012100407.td-b3lyp_6-31g+(d).inp 012100407.td-b3lyp_6-31g+(d).log.xz

012100407.td-b3lyp_6-31+g(d).qchem.inp (generated)

012100407.td-b3lyp_6-31+g(d).gjf (generated)

012100407.td-b3lyp_6-31+g(d).firefly.inp (generated)

012100407.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012100407.mol 012100407.PUBCHEM 012100407.mol (via Jmol)
012100408.b3lyp_6-31g(d).inp

012100408.b3lyp_6-31g(d).qchem.inp (generated)

012100408.b3lyp_6-31g(d).gjf (generated)

012100408.b3lyp_6-31g(d).firefly.inp (generated)

012100408.b3lyp_6-31g(d).smash.inp (generated)

012100408.b3lyp_6-31g(d).nwchem.inp (generated) 012100408.b3lyp_6-31g(d).log.xz 012100408.td-b3lyp_6-31g+(d).inp 012100408.td-b3lyp_6-31g+(d).log.xz

012100408.td-b3lyp_6-31+g(d).qchem.inp (generated)

012100408.td-b3lyp_6-31+g(d).gjf (generated)

012100408.td-b3lyp_6-31+g(d).firefly.inp (generated)

012100408.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012100408.mol 012100408.PUBCHEM 012100408.mol (via Jmol)
012100410.b3lyp_6-31g(d).inp

012100410.b3lyp_6-31g(d).qchem.inp (generated)

012100410.b3lyp_6-31g(d).gjf (generated)

012100410.b3lyp_6-31g(d).firefly.inp (generated)

012100410.b3lyp_6-31g(d).smash.inp (generated)

012100410.b3lyp_6-31g(d).nwchem.inp (generated) 012100410.b3lyp_6-31g(d).log.xz 012100410.td-b3lyp_6-31g+(d).inp 012100410.td-b3lyp_6-31g+(d).log.xz

012100410.td-b3lyp_6-31+g(d).qchem.inp (generated)

012100410.td-b3lyp_6-31+g(d).gjf (generated)

012100410.td-b3lyp_6-31+g(d).firefly.inp (generated)

012100410.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012100410.mol 012100410.PUBCHEM 012100410.mol (via Jmol)
012100435.b3lyp_6-31g(d).inp

012100435.b3lyp_6-31g(d).qchem.inp (generated)

012100435.b3lyp_6-31g(d).gjf (generated)

012100435.b3lyp_6-31g(d).firefly.inp (generated)

012100435.b3lyp_6-31g(d).smash.inp (generated)

012100435.b3lyp_6-31g(d).nwchem.inp (generated) 012100435.b3lyp_6-31g(d).log.xz 012100435.td-b3lyp_6-31g+(d).inp 012100435.td-b3lyp_6-31g+(d).log.xz

012100435.td-b3lyp_6-31+g(d).qchem.inp (generated)

012100435.td-b3lyp_6-31+g(d).gjf (generated)

012100435.td-b3lyp_6-31+g(d).firefly.inp (generated)

012100435.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012100435.mol 012100435.PUBCHEM 012100435.mol (via Jmol)
012100464.b3lyp_6-31g(d).inp

012100464.b3lyp_6-31g(d).qchem.inp (generated)

012100464.b3lyp_6-31g(d).gjf (generated)

012100464.b3lyp_6-31g(d).firefly.inp (generated)

012100464.b3lyp_6-31g(d).smash.inp (generated)

012100464.b3lyp_6-31g(d).nwchem.inp (generated) 012100464.b3lyp_6-31g(d).log.xz 012100464.mol 012100464.PUBCHEM 012100464.mol (via Jmol)
012100482.b3lyp_6-31g(d).inp

012100482.b3lyp_6-31g(d).qchem.inp (generated)

012100482.b3lyp_6-31g(d).gjf (generated)

012100482.b3lyp_6-31g(d).firefly.inp (generated)

012100482.b3lyp_6-31g(d).smash.inp (generated)

012100482.b3lyp_6-31g(d).nwchem.inp (generated) 012100482.b3lyp_6-31g(d).log.xz 012100482.mol 012100482.PUBCHEM 012100482.mol (via Jmol)
012100504.b3lyp_6-31g(d).inp

012100504.b3lyp_6-31g(d).qchem.inp (generated)

012100504.b3lyp_6-31g(d).gjf (generated)

012100504.b3lyp_6-31g(d).firefly.inp (generated)

012100504.b3lyp_6-31g(d).smash.inp (generated)

012100504.b3lyp_6-31g(d).nwchem.inp (generated) 012100504.b3lyp_6-31g(d).log.xz 012100504.td-b3lyp_6-31g+(d).inp 012100504.td-b3lyp_6-31g+(d).log.xz

012100504.td-b3lyp_6-31+g(d).qchem.inp (generated)

012100504.td-b3lyp_6-31+g(d).gjf (generated)

012100504.td-b3lyp_6-31+g(d).firefly.inp (generated)

012100504.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012100504.mol 012100504.PUBCHEM 012100504.mol (via Jmol)
012100530.b3lyp_6-31g(d).inp

012100530.b3lyp_6-31g(d).qchem.inp (generated)

012100530.b3lyp_6-31g(d).gjf (generated)

012100530.b3lyp_6-31g(d).firefly.inp (generated)

012100530.b3lyp_6-31g(d).smash.inp (generated)

012100530.b3lyp_6-31g(d).nwchem.inp (generated) 012100530.b3lyp_6-31g(d).log.xz 012100530.td-b3lyp_6-31g+(d).inp 012100530.td-b3lyp_6-31g+(d).log.xz

012100530.td-b3lyp_6-31+g(d).qchem.inp (generated)

012100530.td-b3lyp_6-31+g(d).gjf (generated)

012100530.td-b3lyp_6-31+g(d).firefly.inp (generated)

012100530.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012100530.mol 012100530.PUBCHEM 012100530.mol (via Jmol)
012100531.b3lyp_6-31g(d).inp

012100531.b3lyp_6-31g(d).qchem.inp (generated)

012100531.b3lyp_6-31g(d).gjf (generated)

012100531.b3lyp_6-31g(d).firefly.inp (generated)

012100531.b3lyp_6-31g(d).smash.inp (generated)

012100531.b3lyp_6-31g(d).nwchem.inp (generated) 012100531.b3lyp_6-31g(d).log.xz 012100531.td-b3lyp_6-31g+(d).inp 012100531.td-b3lyp_6-31g+(d).log.xz

012100531.td-b3lyp_6-31+g(d).qchem.inp (generated)

012100531.td-b3lyp_6-31+g(d).gjf (generated)

012100531.td-b3lyp_6-31+g(d).firefly.inp (generated)

012100531.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012100531.mol 012100531.PUBCHEM 012100531.mol (via Jmol)
012100555.b3lyp_6-31g(d).inp

012100555.b3lyp_6-31g(d).qchem.inp (generated)

012100555.b3lyp_6-31g(d).gjf (generated)

012100555.b3lyp_6-31g(d).firefly.inp (generated)

012100555.b3lyp_6-31g(d).smash.inp (generated)

012100555.b3lyp_6-31g(d).nwchem.inp (generated) 012100555.b3lyp_6-31g(d).log.xz 012100555.td-b3lyp_6-31g+(d).inp 012100555.td-b3lyp_6-31g+(d).log.xz

012100555.td-b3lyp_6-31+g(d).qchem.inp (generated)

012100555.td-b3lyp_6-31+g(d).gjf (generated)

012100555.td-b3lyp_6-31+g(d).firefly.inp (generated)

012100555.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012100555.mol 012100555.PUBCHEM 012100555.mol (via Jmol)
012100556.b3lyp_6-31g(d).inp

012100556.b3lyp_6-31g(d).qchem.inp (generated)

012100556.b3lyp_6-31g(d).gjf (generated)

012100556.b3lyp_6-31g(d).firefly.inp (generated)

012100556.b3lyp_6-31g(d).smash.inp (generated)

012100556.b3lyp_6-31g(d).nwchem.inp (generated) 012100556.b3lyp_6-31g(d).log.xz 012100556.mol 012100556.PUBCHEM 012100556.mol (via Jmol)
012100571.b3lyp_6-31g(d).inp

012100571.b3lyp_6-31g(d).qchem.inp (generated)

012100571.b3lyp_6-31g(d).gjf (generated)

012100571.b3lyp_6-31g(d).firefly.inp (generated)

012100571.b3lyp_6-31g(d).smash.inp (generated)

012100571.b3lyp_6-31g(d).nwchem.inp (generated) 012100571.b3lyp_6-31g(d).log.xz 012100571.td-b3lyp_6-31g+(d).inp 012100571.td-b3lyp_6-31g+(d).log.xz

012100571.td-b3lyp_6-31+g(d).qchem.inp (generated)

012100571.td-b3lyp_6-31+g(d).gjf (generated)

012100571.td-b3lyp_6-31+g(d).firefly.inp (generated)

012100571.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012100571.mol 012100571.PUBCHEM 012100571.mol (via Jmol)
012100581.b3lyp_6-31g(d).inp

012100581.b3lyp_6-31g(d).qchem.inp (generated)

012100581.b3lyp_6-31g(d).gjf (generated)

012100581.b3lyp_6-31g(d).firefly.inp (generated)

012100581.b3lyp_6-31g(d).smash.inp (generated)

012100581.b3lyp_6-31g(d).nwchem.inp (generated) 012100581.b3lyp_6-31g(d).log.xz 012100581.td-b3lyp_6-31g+(d).inp 012100581.td-b3lyp_6-31g+(d).log.xz

012100581.td-b3lyp_6-31+g(d).qchem.inp (generated)

012100581.td-b3lyp_6-31+g(d).gjf (generated)

012100581.td-b3lyp_6-31+g(d).firefly.inp (generated)

012100581.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012100581.mol 012100581.PUBCHEM 012100581.mol (via Jmol)
012100693.b3lyp_6-31g(d).inp

012100693.b3lyp_6-31g(d).qchem.inp (generated)

012100693.b3lyp_6-31g(d).gjf (generated)

012100693.b3lyp_6-31g(d).firefly.inp (generated)

012100693.b3lyp_6-31g(d).smash.inp (generated)

012100693.b3lyp_6-31g(d).nwchem.inp (generated) 012100693.b3lyp_6-31g(d).log.xz 012100693.td-b3lyp_6-31g+(d).inp 012100693.td-b3lyp_6-31g+(d).log.xz

012100693.td-b3lyp_6-31+g(d).qchem.inp (generated)

012100693.td-b3lyp_6-31+g(d).gjf (generated)

012100693.td-b3lyp_6-31+g(d).firefly.inp (generated)

012100693.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012100693.mol 012100693.PUBCHEM 012100693.mol (via Jmol)
012100716.b3lyp_6-31g(d).inp

012100716.b3lyp_6-31g(d).qchem.inp (generated)

012100716.b3lyp_6-31g(d).gjf (generated)

012100716.b3lyp_6-31g(d).firefly.inp (generated)

012100716.b3lyp_6-31g(d).smash.inp (generated)

012100716.b3lyp_6-31g(d).nwchem.inp (generated) 012100716.b3lyp_6-31g(d).log.xz 012100716.mol 012100716.PUBCHEM 012100716.mol (via Jmol)
012100717.b3lyp_6-31g(d).inp

012100717.b3lyp_6-31g(d).qchem.inp (generated)

012100717.b3lyp_6-31g(d).gjf (generated)

012100717.b3lyp_6-31g(d).firefly.inp (generated)

012100717.b3lyp_6-31g(d).smash.inp (generated)

012100717.b3lyp_6-31g(d).nwchem.inp (generated) 012100717.b3lyp_6-31g(d).log.xz 012100717.mol 012100717.PUBCHEM 012100717.mol (via Jmol)
012100718.b3lyp_6-31g(d).inp

012100718.b3lyp_6-31g(d).qchem.inp (generated)

012100718.b3lyp_6-31g(d).gjf (generated)

012100718.b3lyp_6-31g(d).firefly.inp (generated)

012100718.b3lyp_6-31g(d).smash.inp (generated)

012100718.b3lyp_6-31g(d).nwchem.inp (generated) 012100718.b3lyp_6-31g(d).log.xz 012100718.mol 012100718.PUBCHEM 012100718.mol (via Jmol)
012100734.b3lyp_6-31g(d).inp

012100734.b3lyp_6-31g(d).qchem.inp (generated)

012100734.b3lyp_6-31g(d).gjf (generated)

012100734.b3lyp_6-31g(d).firefly.inp (generated)

012100734.b3lyp_6-31g(d).smash.inp (generated)

012100734.b3lyp_6-31g(d).nwchem.inp (generated) 012100734.b3lyp_6-31g(d).log.xz 012100734.td-b3lyp_6-31g+(d).inp 012100734.td-b3lyp_6-31g+(d).log.xz

012100734.td-b3lyp_6-31+g(d).qchem.inp (generated)

012100734.td-b3lyp_6-31+g(d).gjf (generated)

012100734.td-b3lyp_6-31+g(d).firefly.inp (generated)

012100734.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012100734.mol 012100734.PUBCHEM 012100734.mol (via Jmol)
012100738.b3lyp_6-31g(d).inp

012100738.b3lyp_6-31g(d).qchem.inp (generated)

012100738.b3lyp_6-31g(d).gjf (generated)

012100738.b3lyp_6-31g(d).firefly.inp (generated)

012100738.b3lyp_6-31g(d).smash.inp (generated)

012100738.b3lyp_6-31g(d).nwchem.inp (generated) 012100738.b3lyp_6-31g(d).log.xz 012100738.td-b3lyp_6-31g+(d).inp 012100738.td-b3lyp_6-31g+(d).log.xz

012100738.td-b3lyp_6-31+g(d).qchem.inp (generated)

012100738.td-b3lyp_6-31+g(d).gjf (generated)

012100738.td-b3lyp_6-31+g(d).firefly.inp (generated)

012100738.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012100738.mol 012100738.PUBCHEM 012100738.mol (via Jmol)
012100742.b3lyp_6-31g(d).inp

012100742.b3lyp_6-31g(d).qchem.inp (generated)

012100742.b3lyp_6-31g(d).gjf (generated)

012100742.b3lyp_6-31g(d).firefly.inp (generated)

012100742.b3lyp_6-31g(d).smash.inp (generated)

012100742.b3lyp_6-31g(d).nwchem.inp (generated) 012100742.b3lyp_6-31g(d).log.xz 012100742.td-b3lyp_6-31g+(d).inp 012100742.td-b3lyp_6-31g+(d).log.xz

012100742.td-b3lyp_6-31+g(d).qchem.inp (generated)

012100742.td-b3lyp_6-31+g(d).gjf (generated)

012100742.td-b3lyp_6-31+g(d).firefly.inp (generated)

012100742.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012100742.mol 012100742.PUBCHEM 012100742.mol (via Jmol)
012100745.b3lyp_6-31g(d).inp

012100745.b3lyp_6-31g(d).qchem.inp (generated)

012100745.b3lyp_6-31g(d).gjf (generated)

012100745.b3lyp_6-31g(d).firefly.inp (generated)

012100745.b3lyp_6-31g(d).smash.inp (generated)

012100745.b3lyp_6-31g(d).nwchem.inp (generated) 012100745.b3lyp_6-31g(d).log.xz 012100745.td-b3lyp_6-31g+(d).inp 012100745.td-b3lyp_6-31g+(d).log.xz

012100745.td-b3lyp_6-31+g(d).qchem.inp (generated)

012100745.td-b3lyp_6-31+g(d).gjf (generated)

012100745.td-b3lyp_6-31+g(d).firefly.inp (generated)

012100745.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012100745.mol 012100745.PUBCHEM 012100745.mol (via Jmol)
012100779.b3lyp_6-31g(d).inp

012100779.b3lyp_6-31g(d).qchem.inp (generated)

012100779.b3lyp_6-31g(d).gjf (generated)

012100779.b3lyp_6-31g(d).firefly.inp (generated)

012100779.b3lyp_6-31g(d).smash.inp (generated)

012100779.b3lyp_6-31g(d).nwchem.inp (generated) 012100779.b3lyp_6-31g(d).log.xz 012100779.td-b3lyp_6-31g+(d).inp 012100779.td-b3lyp_6-31g+(d).log.xz

012100779.td-b3lyp_6-31+g(d).qchem.inp (generated)

012100779.td-b3lyp_6-31+g(d).gjf (generated)

012100779.td-b3lyp_6-31+g(d).firefly.inp (generated)

012100779.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012100779.mol 012100779.PUBCHEM 012100779.mol (via Jmol)
012100780.b3lyp_6-31g(d).inp

012100780.b3lyp_6-31g(d).qchem.inp (generated)

012100780.b3lyp_6-31g(d).gjf (generated)

012100780.b3lyp_6-31g(d).firefly.inp (generated)

012100780.b3lyp_6-31g(d).smash.inp (generated)

012100780.b3lyp_6-31g(d).nwchem.inp (generated) 012100780.b3lyp_6-31g(d).log.xz 012100780.td-b3lyp_6-31g+(d).inp 012100780.td-b3lyp_6-31g+(d).log.xz

012100780.td-b3lyp_6-31+g(d).qchem.inp (generated)

012100780.td-b3lyp_6-31+g(d).gjf (generated)

012100780.td-b3lyp_6-31+g(d).firefly.inp (generated)

012100780.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012100780.mol 012100780.PUBCHEM 012100780.mol (via Jmol)
012100781.b3lyp_6-31g(d).inp

012100781.b3lyp_6-31g(d).qchem.inp (generated)

012100781.b3lyp_6-31g(d).gjf (generated)

012100781.b3lyp_6-31g(d).firefly.inp (generated)

012100781.b3lyp_6-31g(d).smash.inp (generated)

012100781.b3lyp_6-31g(d).nwchem.inp (generated) 012100781.b3lyp_6-31g(d).log.xz 012100781.td-b3lyp_6-31g+(d).inp 012100781.td-b3lyp_6-31g+(d).log.xz

012100781.td-b3lyp_6-31+g(d).qchem.inp (generated)

012100781.td-b3lyp_6-31+g(d).gjf (generated)

012100781.td-b3lyp_6-31+g(d).firefly.inp (generated)

012100781.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012100781.mol 012100781.PUBCHEM 012100781.mol (via Jmol)
012100782.b3lyp_6-31g(d).inp

012100782.b3lyp_6-31g(d).qchem.inp (generated)

012100782.b3lyp_6-31g(d).gjf (generated)

012100782.b3lyp_6-31g(d).firefly.inp (generated)

012100782.b3lyp_6-31g(d).smash.inp (generated)

012100782.b3lyp_6-31g(d).nwchem.inp (generated) 012100782.b3lyp_6-31g(d).log.xz 012100782.td-b3lyp_6-31g+(d).inp 012100782.td-b3lyp_6-31g+(d).log.xz

012100782.td-b3lyp_6-31+g(d).qchem.inp (generated)

012100782.td-b3lyp_6-31+g(d).gjf (generated)

012100782.td-b3lyp_6-31+g(d).firefly.inp (generated)

012100782.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012100782.mol 012100782.PUBCHEM 012100782.mol (via Jmol)
012100783.b3lyp_6-31g(d).inp

012100783.b3lyp_6-31g(d).qchem.inp (generated)

012100783.b3lyp_6-31g(d).gjf (generated)

012100783.b3lyp_6-31g(d).firefly.inp (generated)

012100783.b3lyp_6-31g(d).smash.inp (generated)

012100783.b3lyp_6-31g(d).nwchem.inp (generated) 012100783.b3lyp_6-31g(d).log.xz 012100783.td-b3lyp_6-31g+(d).inp 012100783.td-b3lyp_6-31g+(d).log.xz

012100783.td-b3lyp_6-31+g(d).qchem.inp (generated)

012100783.td-b3lyp_6-31+g(d).gjf (generated)

012100783.td-b3lyp_6-31+g(d).firefly.inp (generated)

012100783.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012100783.mol 012100783.PUBCHEM 012100783.mol (via Jmol)
012100784.b3lyp_6-31g(d).inp

012100784.b3lyp_6-31g(d).qchem.inp (generated)

012100784.b3lyp_6-31g(d).gjf (generated)

012100784.b3lyp_6-31g(d).firefly.inp (generated)

012100784.b3lyp_6-31g(d).smash.inp (generated)

012100784.b3lyp_6-31g(d).nwchem.inp (generated) 012100784.b3lyp_6-31g(d).log.xz 012100784.td-b3lyp_6-31g+(d).inp 012100784.td-b3lyp_6-31g+(d).log.xz

012100784.td-b3lyp_6-31+g(d).qchem.inp (generated)

012100784.td-b3lyp_6-31+g(d).gjf (generated)

012100784.td-b3lyp_6-31+g(d).firefly.inp (generated)

012100784.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012100784.mol 012100784.PUBCHEM 012100784.mol (via Jmol)
012100866.b3lyp_6-31g(d).inp

012100866.b3lyp_6-31g(d).qchem.inp (generated)

012100866.b3lyp_6-31g(d).gjf (generated)

012100866.b3lyp_6-31g(d).firefly.inp (generated)

012100866.b3lyp_6-31g(d).smash.inp (generated)

012100866.b3lyp_6-31g(d).nwchem.inp (generated) 012100866.b3lyp_6-31g(d).log.xz 012100866.td-b3lyp_6-31g+(d).inp 012100866.td-b3lyp_6-31g+(d).log.xz

012100866.td-b3lyp_6-31+g(d).qchem.inp (generated)

012100866.td-b3lyp_6-31+g(d).gjf (generated)

012100866.td-b3lyp_6-31+g(d).firefly.inp (generated)

012100866.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012100866.mol 012100866.PUBCHEM 012100866.mol (via Jmol)
012100884.b3lyp_6-31g(d).inp

012100884.b3lyp_6-31g(d).qchem.inp (generated)

012100884.b3lyp_6-31g(d).gjf (generated)

012100884.b3lyp_6-31g(d).firefly.inp (generated)

012100884.b3lyp_6-31g(d).smash.inp (generated)

012100884.b3lyp_6-31g(d).nwchem.inp (generated) 012100884.b3lyp_6-31g(d).log.xz 012100884.mol 012100884.PUBCHEM 012100884.mol (via Jmol)
012101022.b3lyp_6-31g(d).inp

012101022.b3lyp_6-31g(d).qchem.inp (generated)

012101022.b3lyp_6-31g(d).gjf (generated)

012101022.b3lyp_6-31g(d).firefly.inp (generated)

012101022.b3lyp_6-31g(d).smash.inp (generated)

012101022.b3lyp_6-31g(d).nwchem.inp (generated) 012101022.b3lyp_6-31g(d).log.xz 012101022.td-b3lyp_6-31g+(d).inp 012101022.td-b3lyp_6-31g+(d).log.xz

012101022.td-b3lyp_6-31+g(d).qchem.inp (generated)

012101022.td-b3lyp_6-31+g(d).gjf (generated)

012101022.td-b3lyp_6-31+g(d).firefly.inp (generated)

012101022.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012101022.mol 012101022.PUBCHEM 012101022.mol (via Jmol)
012101026.b3lyp_6-31g(d).inp

012101026.b3lyp_6-31g(d).qchem.inp (generated)

012101026.b3lyp_6-31g(d).gjf (generated)

012101026.b3lyp_6-31g(d).firefly.inp (generated)

012101026.b3lyp_6-31g(d).smash.inp (generated)

012101026.b3lyp_6-31g(d).nwchem.inp (generated) 012101026.b3lyp_6-31g(d).log.xz 012101026.td-b3lyp_6-31g+(d).inp 012101026.td-b3lyp_6-31g+(d).log.xz

012101026.td-b3lyp_6-31+g(d).qchem.inp (generated)

012101026.td-b3lyp_6-31+g(d).gjf (generated)

012101026.td-b3lyp_6-31+g(d).firefly.inp (generated)

012101026.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012101026.mol 012101026.PUBCHEM 012101026.mol (via Jmol)
012101063.b3lyp_6-31g(d).inp

012101063.b3lyp_6-31g(d).qchem.inp (generated)

012101063.b3lyp_6-31g(d).gjf (generated)

012101063.b3lyp_6-31g(d).firefly.inp (generated)

012101063.b3lyp_6-31g(d).smash.inp (generated)

012101063.b3lyp_6-31g(d).nwchem.inp (generated) 012101063.b3lyp_6-31g(d).log.xz 012101063.td-b3lyp_6-31g+(d).inp 012101063.td-b3lyp_6-31g+(d).log.xz

012101063.td-b3lyp_6-31+g(d).qchem.inp (generated)

012101063.td-b3lyp_6-31+g(d).gjf (generated)

012101063.td-b3lyp_6-31+g(d).firefly.inp (generated)

012101063.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012101063.mol 012101063.PUBCHEM 012101063.mol (via Jmol)
012101198.b3lyp_6-31g(d).inp

012101198.b3lyp_6-31g(d).qchem.inp (generated)

012101198.b3lyp_6-31g(d).gjf (generated)

012101198.b3lyp_6-31g(d).firefly.inp (generated)

012101198.b3lyp_6-31g(d).smash.inp (generated)

012101198.b3lyp_6-31g(d).nwchem.inp (generated) 012101198.b3lyp_6-31g(d).log.xz 012101198.td-b3lyp_6-31g+(d).inp 012101198.td-b3lyp_6-31g+(d).log.xz

012101198.td-b3lyp_6-31+g(d).qchem.inp (generated)

012101198.td-b3lyp_6-31+g(d).gjf (generated)

012101198.td-b3lyp_6-31+g(d).firefly.inp (generated)

012101198.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012101198.mol 012101198.PUBCHEM 012101198.mol (via Jmol)
012101277.b3lyp_6-31g(d).inp

012101277.b3lyp_6-31g(d).qchem.inp (generated)

012101277.b3lyp_6-31g(d).gjf (generated)

012101277.b3lyp_6-31g(d).firefly.inp (generated)

012101277.b3lyp_6-31g(d).smash.inp (generated)

012101277.b3lyp_6-31g(d).nwchem.inp (generated) 012101277.b3lyp_6-31g(d).log.xz 012101277.td-b3lyp_6-31g+(d).inp 012101277.td-b3lyp_6-31g+(d).log.xz

012101277.td-b3lyp_6-31+g(d).qchem.inp (generated)

012101277.td-b3lyp_6-31+g(d).gjf (generated)

012101277.td-b3lyp_6-31+g(d).firefly.inp (generated)

012101277.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012101277.mol 012101277.PUBCHEM 012101277.mol (via Jmol)
012101297.b3lyp_6-31g(d).inp

012101297.b3lyp_6-31g(d).qchem.inp (generated)

012101297.b3lyp_6-31g(d).gjf (generated)

012101297.b3lyp_6-31g(d).firefly.inp (generated)

012101297.b3lyp_6-31g(d).smash.inp (generated)

012101297.b3lyp_6-31g(d).nwchem.inp (generated) 012101297.b3lyp_6-31g(d).log.xz 012101297.td-b3lyp_6-31g+(d).inp 012101297.td-b3lyp_6-31g+(d).log.xz

012101297.td-b3lyp_6-31+g(d).qchem.inp (generated)

012101297.td-b3lyp_6-31+g(d).gjf (generated)

012101297.td-b3lyp_6-31+g(d).firefly.inp (generated)

012101297.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012101297.mol 012101297.PUBCHEM 012101297.mol (via Jmol)
012101299.b3lyp_6-31g(d).inp

012101299.b3lyp_6-31g(d).qchem.inp (generated)

012101299.b3lyp_6-31g(d).gjf (generated)

012101299.b3lyp_6-31g(d).firefly.inp (generated)

012101299.b3lyp_6-31g(d).smash.inp (generated)

012101299.b3lyp_6-31g(d).nwchem.inp (generated) 012101299.b3lyp_6-31g(d).log.xz 012101299.td-b3lyp_6-31g+(d).inp 012101299.td-b3lyp_6-31g+(d).log.xz

012101299.td-b3lyp_6-31+g(d).qchem.inp (generated)

012101299.td-b3lyp_6-31+g(d).gjf (generated)

012101299.td-b3lyp_6-31+g(d).firefly.inp (generated)

012101299.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012101299.mol 012101299.PUBCHEM 012101299.mol (via Jmol)
012101300.b3lyp_6-31g(d).inp

012101300.b3lyp_6-31g(d).qchem.inp (generated)

012101300.b3lyp_6-31g(d).gjf (generated)

012101300.b3lyp_6-31g(d).firefly.inp (generated)

012101300.b3lyp_6-31g(d).smash.inp (generated)

012101300.b3lyp_6-31g(d).nwchem.inp (generated) 012101300.b3lyp_6-31g(d).log.xz 012101300.mol 012101300.PUBCHEM 012101300.mol (via Jmol)
012101307.b3lyp_6-31g(d).inp

012101307.b3lyp_6-31g(d).qchem.inp (generated)

012101307.b3lyp_6-31g(d).gjf (generated)

012101307.b3lyp_6-31g(d).firefly.inp (generated)

012101307.b3lyp_6-31g(d).smash.inp (generated)

012101307.b3lyp_6-31g(d).nwchem.inp (generated) 012101307.b3lyp_6-31g(d).log.xz 012101307.td-b3lyp_6-31g+(d).inp 012101307.td-b3lyp_6-31g+(d).log.xz

012101307.td-b3lyp_6-31+g(d).qchem.inp (generated)

012101307.td-b3lyp_6-31+g(d).gjf (generated)

012101307.td-b3lyp_6-31+g(d).firefly.inp (generated)

012101307.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012101307.mol 012101307.PUBCHEM 012101307.mol (via Jmol)
012101308.b3lyp_6-31g(d).inp

012101308.b3lyp_6-31g(d).qchem.inp (generated)

012101308.b3lyp_6-31g(d).gjf (generated)

012101308.b3lyp_6-31g(d).firefly.inp (generated)

012101308.b3lyp_6-31g(d).smash.inp (generated)

012101308.b3lyp_6-31g(d).nwchem.inp (generated) 012101308.b3lyp_6-31g(d).log.xz 012101308.td-b3lyp_6-31g+(d).inp 012101308.td-b3lyp_6-31g+(d).log.xz

012101308.td-b3lyp_6-31+g(d).qchem.inp (generated)

012101308.td-b3lyp_6-31+g(d).gjf (generated)

012101308.td-b3lyp_6-31+g(d).firefly.inp (generated)

012101308.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012101308.mol 012101308.PUBCHEM 012101308.mol (via Jmol)
012101401.b3lyp_6-31g(d).inp

012101401.b3lyp_6-31g(d).qchem.inp (generated)

012101401.b3lyp_6-31g(d).gjf (generated)

012101401.b3lyp_6-31g(d).firefly.inp (generated)

012101401.b3lyp_6-31g(d).smash.inp (generated)

012101401.b3lyp_6-31g(d).nwchem.inp (generated) 012101401.b3lyp_6-31g(d).log.xz 012101401.td-b3lyp_6-31g+(d).inp 012101401.td-b3lyp_6-31g+(d).log.xz

012101401.td-b3lyp_6-31+g(d).qchem.inp (generated)

012101401.td-b3lyp_6-31+g(d).gjf (generated)

012101401.td-b3lyp_6-31+g(d).firefly.inp (generated)

012101401.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012101401.mol 012101401.PUBCHEM 012101401.mol (via Jmol)
012101449.b3lyp_6-31g(d).inp

012101449.b3lyp_6-31g(d).qchem.inp (generated)

012101449.b3lyp_6-31g(d).gjf (generated)

012101449.b3lyp_6-31g(d).firefly.inp (generated)

012101449.b3lyp_6-31g(d).smash.inp (generated)

012101449.b3lyp_6-31g(d).nwchem.inp (generated) 012101449.b3lyp_6-31g(d).log.xz 012101449.td-b3lyp_6-31g+(d).inp 012101449.td-b3lyp_6-31g+(d).log.xz

012101449.td-b3lyp_6-31+g(d).qchem.inp (generated)

012101449.td-b3lyp_6-31+g(d).gjf (generated)

012101449.td-b3lyp_6-31+g(d).firefly.inp (generated)

012101449.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012101449.mol 012101449.PUBCHEM 012101449.mol (via Jmol)
012101489.b3lyp_6-31g(d).inp

012101489.b3lyp_6-31g(d).qchem.inp (generated)

012101489.b3lyp_6-31g(d).gjf (generated)

012101489.b3lyp_6-31g(d).firefly.inp (generated)

012101489.b3lyp_6-31g(d).smash.inp (generated)

012101489.b3lyp_6-31g(d).nwchem.inp (generated) 012101489.b3lyp_6-31g(d).log.xz 012101489.td-b3lyp_6-31g+(d).inp 012101489.td-b3lyp_6-31g+(d).log.xz

012101489.td-b3lyp_6-31+g(d).qchem.inp (generated)

012101489.td-b3lyp_6-31+g(d).gjf (generated)

012101489.td-b3lyp_6-31+g(d).firefly.inp (generated)

012101489.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012101489.mol 012101489.PUBCHEM 012101489.mol (via Jmol)
012101492.b3lyp_6-31g(d).inp

012101492.b3lyp_6-31g(d).qchem.inp (generated)

012101492.b3lyp_6-31g(d).gjf (generated)

012101492.b3lyp_6-31g(d).firefly.inp (generated)

012101492.b3lyp_6-31g(d).smash.inp (generated)

012101492.b3lyp_6-31g(d).nwchem.inp (generated) 012101492.b3lyp_6-31g(d).log.xz 012101492.td-b3lyp_6-31g+(d).inp 012101492.td-b3lyp_6-31g+(d).log.xz

012101492.td-b3lyp_6-31+g(d).qchem.inp (generated)

012101492.td-b3lyp_6-31+g(d).gjf (generated)

012101492.td-b3lyp_6-31+g(d).firefly.inp (generated)

012101492.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012101492.mol 012101492.PUBCHEM 012101492.mol (via Jmol)
012101493.b3lyp_6-31g(d).inp

012101493.b3lyp_6-31g(d).qchem.inp (generated)

012101493.b3lyp_6-31g(d).gjf (generated)

012101493.b3lyp_6-31g(d).firefly.inp (generated)

012101493.b3lyp_6-31g(d).smash.inp (generated)

012101493.b3lyp_6-31g(d).nwchem.inp (generated) 012101493.b3lyp_6-31g(d).log.xz 012101493.td-b3lyp_6-31g+(d).inp 012101493.td-b3lyp_6-31g+(d).log.xz

012101493.td-b3lyp_6-31+g(d).qchem.inp (generated)

012101493.td-b3lyp_6-31+g(d).gjf (generated)

012101493.td-b3lyp_6-31+g(d).firefly.inp (generated)

012101493.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012101493.mol 012101493.PUBCHEM 012101493.mol (via Jmol)
012101518.b3lyp_6-31g(d).inp

012101518.b3lyp_6-31g(d).qchem.inp (generated)

012101518.b3lyp_6-31g(d).gjf (generated)

012101518.b3lyp_6-31g(d).firefly.inp (generated)

012101518.b3lyp_6-31g(d).smash.inp (generated)

012101518.b3lyp_6-31g(d).nwchem.inp (generated) 012101518.b3lyp_6-31g(d).log.xz 012101518.td-b3lyp_6-31g+(d).inp 012101518.td-b3lyp_6-31g+(d).log.xz

012101518.td-b3lyp_6-31+g(d).qchem.inp (generated)

012101518.td-b3lyp_6-31+g(d).gjf (generated)

012101518.td-b3lyp_6-31+g(d).firefly.inp (generated)

012101518.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012101518.mol 012101518.PUBCHEM 012101518.mol (via Jmol)
012101520.b3lyp_6-31g(d).inp

012101520.b3lyp_6-31g(d).qchem.inp (generated)

012101520.b3lyp_6-31g(d).gjf (generated)

012101520.b3lyp_6-31g(d).firefly.inp (generated)

012101520.b3lyp_6-31g(d).smash.inp (generated)

012101520.b3lyp_6-31g(d).nwchem.inp (generated) 012101520.b3lyp_6-31g(d).log.xz 012101520.td-b3lyp_6-31g+(d).inp 012101520.td-b3lyp_6-31g+(d).log.xz

012101520.td-b3lyp_6-31+g(d).qchem.inp (generated)

012101520.td-b3lyp_6-31+g(d).gjf (generated)

012101520.td-b3lyp_6-31+g(d).firefly.inp (generated)

012101520.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012101520.mol 012101520.PUBCHEM 012101520.mol (via Jmol)
012101521.b3lyp_6-31g(d).inp

012101521.b3lyp_6-31g(d).qchem.inp (generated)

012101521.b3lyp_6-31g(d).gjf (generated)

012101521.b3lyp_6-31g(d).firefly.inp (generated)

012101521.b3lyp_6-31g(d).smash.inp (generated)

012101521.b3lyp_6-31g(d).nwchem.inp (generated) 012101521.b3lyp_6-31g(d).log.xz 012101521.td-b3lyp_6-31g+(d).inp 012101521.td-b3lyp_6-31g+(d).log.xz

012101521.td-b3lyp_6-31+g(d).qchem.inp (generated)

012101521.td-b3lyp_6-31+g(d).gjf (generated)

012101521.td-b3lyp_6-31+g(d).firefly.inp (generated)

012101521.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012101521.mol 012101521.PUBCHEM 012101521.mol (via Jmol)
012101522.b3lyp_6-31g(d).inp

012101522.b3lyp_6-31g(d).qchem.inp (generated)

012101522.b3lyp_6-31g(d).gjf (generated)

012101522.b3lyp_6-31g(d).firefly.inp (generated)

012101522.b3lyp_6-31g(d).smash.inp (generated)

012101522.b3lyp_6-31g(d).nwchem.inp (generated) 012101522.b3lyp_6-31g(d).log.xz 012101522.td-b3lyp_6-31g+(d).inp 012101522.td-b3lyp_6-31g+(d).log.xz

012101522.td-b3lyp_6-31+g(d).qchem.inp (generated)

012101522.td-b3lyp_6-31+g(d).gjf (generated)

012101522.td-b3lyp_6-31+g(d).firefly.inp (generated)

012101522.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012101522.mol 012101522.PUBCHEM 012101522.mol (via Jmol)
012101548.b3lyp_6-31g(d).inp

012101548.b3lyp_6-31g(d).qchem.inp (generated)

012101548.b3lyp_6-31g(d).gjf (generated)

012101548.b3lyp_6-31g(d).firefly.inp (generated)

012101548.b3lyp_6-31g(d).smash.inp (generated)

012101548.b3lyp_6-31g(d).nwchem.inp (generated) 012101548.b3lyp_6-31g(d).log.xz 012101548.td-b3lyp_6-31g+(d).inp 012101548.td-b3lyp_6-31g+(d).log.xz

012101548.td-b3lyp_6-31+g(d).qchem.inp (generated)

012101548.td-b3lyp_6-31+g(d).gjf (generated)

012101548.td-b3lyp_6-31+g(d).firefly.inp (generated)

012101548.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012101548.mol 012101548.PUBCHEM 012101548.mol (via Jmol)
012101555.b3lyp_6-31g(d).inp

012101555.b3lyp_6-31g(d).qchem.inp (generated)

012101555.b3lyp_6-31g(d).gjf (generated)

012101555.b3lyp_6-31g(d).firefly.inp (generated)

012101555.b3lyp_6-31g(d).smash.inp (generated)

012101555.b3lyp_6-31g(d).nwchem.inp (generated) 012101555.b3lyp_6-31g(d).log.xz 012101555.td-b3lyp_6-31g+(d).inp 012101555.td-b3lyp_6-31g+(d).log.xz

012101555.td-b3lyp_6-31+g(d).qchem.inp (generated)

012101555.td-b3lyp_6-31+g(d).gjf (generated)

012101555.td-b3lyp_6-31+g(d).firefly.inp (generated)

012101555.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012101555.mol 012101555.PUBCHEM 012101555.mol (via Jmol)
012101565.b3lyp_6-31g(d).inp

012101565.b3lyp_6-31g(d).qchem.inp (generated)

012101565.b3lyp_6-31g(d).gjf (generated)

012101565.b3lyp_6-31g(d).firefly.inp (generated)

012101565.b3lyp_6-31g(d).smash.inp (generated)

012101565.b3lyp_6-31g(d).nwchem.inp (generated) 012101565.b3lyp_6-31g(d).log.xz 012101565.td-b3lyp_6-31g+(d).inp 012101565.td-b3lyp_6-31g+(d).log.xz

012101565.td-b3lyp_6-31+g(d).qchem.inp (generated)

012101565.td-b3lyp_6-31+g(d).gjf (generated)

012101565.td-b3lyp_6-31+g(d).firefly.inp (generated)

012101565.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012101565.mol 012101565.PUBCHEM 012101565.mol (via Jmol)
012101624.b3lyp_6-31g(d).inp

012101624.b3lyp_6-31g(d).qchem.inp (generated)

012101624.b3lyp_6-31g(d).gjf (generated)

012101624.b3lyp_6-31g(d).firefly.inp (generated)

012101624.b3lyp_6-31g(d).smash.inp (generated)

012101624.b3lyp_6-31g(d).nwchem.inp (generated) 012101624.b3lyp_6-31g(d).log.xz 012101624.td-b3lyp_6-31g+(d).inp 012101624.td-b3lyp_6-31g+(d).log.xz

012101624.td-b3lyp_6-31+g(d).qchem.inp (generated)

012101624.td-b3lyp_6-31+g(d).gjf (generated)

012101624.td-b3lyp_6-31+g(d).firefly.inp (generated)

012101624.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012101624.mol 012101624.PUBCHEM 012101624.mol (via Jmol)
012101625.b3lyp_6-31g(d).inp

012101625.b3lyp_6-31g(d).qchem.inp (generated)

012101625.b3lyp_6-31g(d).gjf (generated)

012101625.b3lyp_6-31g(d).firefly.inp (generated)

012101625.b3lyp_6-31g(d).smash.inp (generated)

012101625.b3lyp_6-31g(d).nwchem.inp (generated) 012101625.b3lyp_6-31g(d).log.xz 012101625.td-b3lyp_6-31g+(d).inp 012101625.td-b3lyp_6-31g+(d).log.xz

012101625.td-b3lyp_6-31+g(d).qchem.inp (generated)

012101625.td-b3lyp_6-31+g(d).gjf (generated)

012101625.td-b3lyp_6-31+g(d).firefly.inp (generated)

012101625.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012101625.mol 012101625.PUBCHEM 012101625.mol (via Jmol)
012101629.b3lyp_6-31g(d).inp

012101629.b3lyp_6-31g(d).qchem.inp (generated)

012101629.b3lyp_6-31g(d).gjf (generated)

012101629.b3lyp_6-31g(d).firefly.inp (generated)

012101629.b3lyp_6-31g(d).smash.inp (generated)

012101629.b3lyp_6-31g(d).nwchem.inp (generated) 012101629.b3lyp_6-31g(d).log.xz 012101629.td-b3lyp_6-31g+(d).inp 012101629.td-b3lyp_6-31g+(d).log.xz

012101629.td-b3lyp_6-31+g(d).qchem.inp (generated)

012101629.td-b3lyp_6-31+g(d).gjf (generated)

012101629.td-b3lyp_6-31+g(d).firefly.inp (generated)

012101629.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012101629.mol 012101629.PUBCHEM 012101629.mol (via Jmol)
012101632.b3lyp_6-31g(d).inp

012101632.b3lyp_6-31g(d).qchem.inp (generated)

012101632.b3lyp_6-31g(d).gjf (generated)

012101632.b3lyp_6-31g(d).firefly.inp (generated)

012101632.b3lyp_6-31g(d).smash.inp (generated)

012101632.b3lyp_6-31g(d).nwchem.inp (generated) 012101632.b3lyp_6-31g(d).log.xz 012101632.td-b3lyp_6-31g+(d).inp 012101632.td-b3lyp_6-31g+(d).log.xz

012101632.td-b3lyp_6-31+g(d).qchem.inp (generated)

012101632.td-b3lyp_6-31+g(d).gjf (generated)

012101632.td-b3lyp_6-31+g(d).firefly.inp (generated)

012101632.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012101632.mol 012101632.PUBCHEM 012101632.mol (via Jmol)
012101633.b3lyp_6-31g(d).inp

012101633.b3lyp_6-31g(d).qchem.inp (generated)

012101633.b3lyp_6-31g(d).gjf (generated)

012101633.b3lyp_6-31g(d).firefly.inp (generated)

012101633.b3lyp_6-31g(d).smash.inp (generated)

012101633.b3lyp_6-31g(d).nwchem.inp (generated) 012101633.b3lyp_6-31g(d).log.xz 012101633.td-b3lyp_6-31g+(d).inp 012101633.td-b3lyp_6-31g+(d).log.xz

012101633.td-b3lyp_6-31+g(d).qchem.inp (generated)

012101633.td-b3lyp_6-31+g(d).gjf (generated)

012101633.td-b3lyp_6-31+g(d).firefly.inp (generated)

012101633.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012101633.mol 012101633.PUBCHEM 012101633.mol (via Jmol)
012101634.b3lyp_6-31g(d).inp

012101634.b3lyp_6-31g(d).qchem.inp (generated)

012101634.b3lyp_6-31g(d).gjf (generated)

012101634.b3lyp_6-31g(d).firefly.inp (generated)

012101634.b3lyp_6-31g(d).smash.inp (generated)

012101634.b3lyp_6-31g(d).nwchem.inp (generated) 012101634.b3lyp_6-31g(d).log.xz 012101634.td-b3lyp_6-31g+(d).inp 012101634.td-b3lyp_6-31g+(d).log.xz

012101634.td-b3lyp_6-31+g(d).qchem.inp (generated)

012101634.td-b3lyp_6-31+g(d).gjf (generated)

012101634.td-b3lyp_6-31+g(d).firefly.inp (generated)

012101634.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012101634.mol 012101634.PUBCHEM 012101634.mol (via Jmol)
012101635.b3lyp_6-31g(d).inp

012101635.b3lyp_6-31g(d).qchem.inp (generated)

012101635.b3lyp_6-31g(d).gjf (generated)

012101635.b3lyp_6-31g(d).firefly.inp (generated)

012101635.b3lyp_6-31g(d).smash.inp (generated)

012101635.b3lyp_6-31g(d).nwchem.inp (generated) 012101635.b3lyp_6-31g(d).log.xz 012101635.td-b3lyp_6-31g+(d).inp 012101635.td-b3lyp_6-31g+(d).log.xz

012101635.td-b3lyp_6-31+g(d).qchem.inp (generated)

012101635.td-b3lyp_6-31+g(d).gjf (generated)

012101635.td-b3lyp_6-31+g(d).firefly.inp (generated)

012101635.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012101635.mol 012101635.PUBCHEM 012101635.mol (via Jmol)
012101689.b3lyp_6-31g(d).inp

012101689.b3lyp_6-31g(d).qchem.inp (generated)

012101689.b3lyp_6-31g(d).gjf (generated)

012101689.b3lyp_6-31g(d).firefly.inp (generated)

012101689.b3lyp_6-31g(d).smash.inp (generated)

012101689.b3lyp_6-31g(d).nwchem.inp (generated) 012101689.b3lyp_6-31g(d).log.xz 012101689.td-b3lyp_6-31g+(d).inp 012101689.td-b3lyp_6-31g+(d).log.xz

012101689.td-b3lyp_6-31+g(d).qchem.inp (generated)

012101689.td-b3lyp_6-31+g(d).gjf (generated)

012101689.td-b3lyp_6-31+g(d).firefly.inp (generated)

012101689.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012101689.mol 012101689.PUBCHEM 012101689.mol (via Jmol)
012101691.b3lyp_6-31g(d).inp

012101691.b3lyp_6-31g(d).qchem.inp (generated)

012101691.b3lyp_6-31g(d).gjf (generated)

012101691.b3lyp_6-31g(d).firefly.inp (generated)

012101691.b3lyp_6-31g(d).smash.inp (generated)

012101691.b3lyp_6-31g(d).nwchem.inp (generated) 012101691.b3lyp_6-31g(d).log.xz 012101691.td-b3lyp_6-31g+(d).inp 012101691.td-b3lyp_6-31g+(d).log.xz

012101691.td-b3lyp_6-31+g(d).qchem.inp (generated)

012101691.td-b3lyp_6-31+g(d).gjf (generated)

012101691.td-b3lyp_6-31+g(d).firefly.inp (generated)

012101691.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012101691.mol 012101691.PUBCHEM 012101691.mol (via Jmol)
012101695.b3lyp_6-31g(d).inp

012101695.b3lyp_6-31g(d).qchem.inp (generated)

012101695.b3lyp_6-31g(d).gjf (generated)

012101695.b3lyp_6-31g(d).firefly.inp (generated)

012101695.b3lyp_6-31g(d).smash.inp (generated)

012101695.b3lyp_6-31g(d).nwchem.inp (generated) 012101695.b3lyp_6-31g(d).log.xz 012101695.td-b3lyp_6-31g+(d).inp 012101695.td-b3lyp_6-31g+(d).log.xz

012101695.td-b3lyp_6-31+g(d).qchem.inp (generated)

012101695.td-b3lyp_6-31+g(d).gjf (generated)

012101695.td-b3lyp_6-31+g(d).firefly.inp (generated)

012101695.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012101695.mol 012101695.PUBCHEM 012101695.mol (via Jmol)
012101696.b3lyp_6-31g(d).inp

012101696.b3lyp_6-31g(d).qchem.inp (generated)

012101696.b3lyp_6-31g(d).gjf (generated)

012101696.b3lyp_6-31g(d).firefly.inp (generated)

012101696.b3lyp_6-31g(d).smash.inp (generated)

012101696.b3lyp_6-31g(d).nwchem.inp (generated) 012101696.b3lyp_6-31g(d).log.xz 012101696.td-b3lyp_6-31g+(d).inp 012101696.td-b3lyp_6-31g+(d).log.xz

012101696.td-b3lyp_6-31+g(d).qchem.inp (generated)

012101696.td-b3lyp_6-31+g(d).gjf (generated)

012101696.td-b3lyp_6-31+g(d).firefly.inp (generated)

012101696.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012101696.mol 012101696.PUBCHEM 012101696.mol (via Jmol)
012101697.b3lyp_6-31g(d).inp

012101697.b3lyp_6-31g(d).qchem.inp (generated)

012101697.b3lyp_6-31g(d).gjf (generated)

012101697.b3lyp_6-31g(d).firefly.inp (generated)

012101697.b3lyp_6-31g(d).smash.inp (generated)

012101697.b3lyp_6-31g(d).nwchem.inp (generated) 012101697.b3lyp_6-31g(d).log.xz 012101697.td-b3lyp_6-31g+(d).inp 012101697.td-b3lyp_6-31g+(d).log.xz

012101697.td-b3lyp_6-31+g(d).qchem.inp (generated)

012101697.td-b3lyp_6-31+g(d).gjf (generated)

012101697.td-b3lyp_6-31+g(d).firefly.inp (generated)

012101697.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012101697.mol 012101697.PUBCHEM 012101697.mol (via Jmol)
012101698.b3lyp_6-31g(d).inp

012101698.b3lyp_6-31g(d).qchem.inp (generated)

012101698.b3lyp_6-31g(d).gjf (generated)

012101698.b3lyp_6-31g(d).firefly.inp (generated)

012101698.b3lyp_6-31g(d).smash.inp (generated)

012101698.b3lyp_6-31g(d).nwchem.inp (generated) 012101698.b3lyp_6-31g(d).log.xz 012101698.td-b3lyp_6-31g+(d).inp 012101698.td-b3lyp_6-31g+(d).log.xz

012101698.td-b3lyp_6-31+g(d).qchem.inp (generated)

012101698.td-b3lyp_6-31+g(d).gjf (generated)

012101698.td-b3lyp_6-31+g(d).firefly.inp (generated)

012101698.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012101698.mol 012101698.PUBCHEM 012101698.mol (via Jmol)
012101721.b3lyp_6-31g(d).inp

012101721.b3lyp_6-31g(d).qchem.inp (generated)

012101721.b3lyp_6-31g(d).gjf (generated)

012101721.b3lyp_6-31g(d).firefly.inp (generated)

012101721.b3lyp_6-31g(d).smash.inp (generated)

012101721.b3lyp_6-31g(d).nwchem.inp (generated) 012101721.b3lyp_6-31g(d).log.xz 012101721.td-b3lyp_6-31g+(d).inp 012101721.td-b3lyp_6-31g+(d).log.xz

012101721.td-b3lyp_6-31+g(d).qchem.inp (generated)

012101721.td-b3lyp_6-31+g(d).gjf (generated)

012101721.td-b3lyp_6-31+g(d).firefly.inp (generated)

012101721.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012101721.mol 012101721.PUBCHEM 012101721.mol (via Jmol)
012101735.b3lyp_6-31g(d).inp

012101735.b3lyp_6-31g(d).qchem.inp (generated)

012101735.b3lyp_6-31g(d).gjf (generated)

012101735.b3lyp_6-31g(d).firefly.inp (generated)

012101735.b3lyp_6-31g(d).smash.inp (generated)

012101735.b3lyp_6-31g(d).nwchem.inp (generated) 012101735.b3lyp_6-31g(d).log.xz 012101735.td-b3lyp_6-31g+(d).inp 012101735.td-b3lyp_6-31g+(d).log.xz

012101735.td-b3lyp_6-31+g(d).qchem.inp (generated)

012101735.td-b3lyp_6-31+g(d).gjf (generated)

012101735.td-b3lyp_6-31+g(d).firefly.inp (generated)

012101735.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012101735.mol 012101735.PUBCHEM 012101735.mol (via Jmol)
012101736.b3lyp_6-31g(d).inp

012101736.b3lyp_6-31g(d).qchem.inp (generated)

012101736.b3lyp_6-31g(d).gjf (generated)

012101736.b3lyp_6-31g(d).firefly.inp (generated)

012101736.b3lyp_6-31g(d).smash.inp (generated)

012101736.b3lyp_6-31g(d).nwchem.inp (generated) 012101736.b3lyp_6-31g(d).log.xz 012101736.td-b3lyp_6-31g+(d).inp 012101736.td-b3lyp_6-31g+(d).log.xz

012101736.td-b3lyp_6-31+g(d).qchem.inp (generated)

012101736.td-b3lyp_6-31+g(d).gjf (generated)

012101736.td-b3lyp_6-31+g(d).firefly.inp (generated)

012101736.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012101736.mol 012101736.PUBCHEM 012101736.mol (via Jmol)
012101737.b3lyp_6-31g(d).inp

012101737.b3lyp_6-31g(d).qchem.inp (generated)

012101737.b3lyp_6-31g(d).gjf (generated)

012101737.b3lyp_6-31g(d).firefly.inp (generated)

012101737.b3lyp_6-31g(d).smash.inp (generated)

012101737.b3lyp_6-31g(d).nwchem.inp (generated) 012101737.b3lyp_6-31g(d).log.xz 012101737.td-b3lyp_6-31g+(d).inp 012101737.td-b3lyp_6-31g+(d).log.xz

012101737.td-b3lyp_6-31+g(d).qchem.inp (generated)

012101737.td-b3lyp_6-31+g(d).gjf (generated)

012101737.td-b3lyp_6-31+g(d).firefly.inp (generated)

012101737.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012101737.mol 012101737.PUBCHEM 012101737.mol (via Jmol)
012101738.b3lyp_6-31g(d).inp

012101738.b3lyp_6-31g(d).qchem.inp (generated)

012101738.b3lyp_6-31g(d).gjf (generated)

012101738.b3lyp_6-31g(d).firefly.inp (generated)

012101738.b3lyp_6-31g(d).smash.inp (generated)

012101738.b3lyp_6-31g(d).nwchem.inp (generated) 012101738.b3lyp_6-31g(d).log.xz 012101738.td-b3lyp_6-31g+(d).inp 012101738.td-b3lyp_6-31g+(d).log.xz

012101738.td-b3lyp_6-31+g(d).qchem.inp (generated)

012101738.td-b3lyp_6-31+g(d).gjf (generated)

012101738.td-b3lyp_6-31+g(d).firefly.inp (generated)

012101738.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012101738.mol 012101738.PUBCHEM 012101738.mol (via Jmol)
012101790.b3lyp_6-31g(d).inp

012101790.b3lyp_6-31g(d).qchem.inp (generated)

012101790.b3lyp_6-31g(d).gjf (generated)

012101790.b3lyp_6-31g(d).firefly.inp (generated)

012101790.b3lyp_6-31g(d).smash.inp (generated)

012101790.b3lyp_6-31g(d).nwchem.inp (generated) 012101790.b3lyp_6-31g(d).log.xz 012101790.td-b3lyp_6-31g+(d).inp 012101790.td-b3lyp_6-31g+(d).log.xz

012101790.td-b3lyp_6-31+g(d).qchem.inp (generated)

012101790.td-b3lyp_6-31+g(d).gjf (generated)

012101790.td-b3lyp_6-31+g(d).firefly.inp (generated)

012101790.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012101790.mol 012101790.PUBCHEM 012101790.mol (via Jmol)
012101796.b3lyp_6-31g(d).inp

012101796.b3lyp_6-31g(d).qchem.inp (generated)

012101796.b3lyp_6-31g(d).gjf (generated)

012101796.b3lyp_6-31g(d).firefly.inp (generated)

012101796.b3lyp_6-31g(d).smash.inp (generated)

012101796.b3lyp_6-31g(d).nwchem.inp (generated) 012101796.b3lyp_6-31g(d).log.xz 012101796.td-b3lyp_6-31g+(d).inp 012101796.td-b3lyp_6-31g+(d).log.xz

012101796.td-b3lyp_6-31+g(d).qchem.inp (generated)

012101796.td-b3lyp_6-31+g(d).gjf (generated)

012101796.td-b3lyp_6-31+g(d).firefly.inp (generated)

012101796.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012101796.mol 012101796.PUBCHEM 012101796.mol (via Jmol)
012101859.b3lyp_6-31g(d).inp

012101859.b3lyp_6-31g(d).qchem.inp (generated)

012101859.b3lyp_6-31g(d).gjf (generated)

012101859.b3lyp_6-31g(d).firefly.inp (generated)

012101859.b3lyp_6-31g(d).smash.inp (generated)

012101859.b3lyp_6-31g(d).nwchem.inp (generated) 012101859.b3lyp_6-31g(d).log.xz 012101859.td-b3lyp_6-31g+(d).inp 012101859.td-b3lyp_6-31g+(d).log.xz

012101859.td-b3lyp_6-31+g(d).qchem.inp (generated)

012101859.td-b3lyp_6-31+g(d).gjf (generated)

012101859.td-b3lyp_6-31+g(d).firefly.inp (generated)

012101859.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012101859.mol 012101859.PUBCHEM 012101859.mol (via Jmol)
012101905.b3lyp_6-31g(d).inp

012101905.b3lyp_6-31g(d).qchem.inp (generated)

012101905.b3lyp_6-31g(d).gjf (generated)

012101905.b3lyp_6-31g(d).firefly.inp (generated)

012101905.b3lyp_6-31g(d).smash.inp (generated)

012101905.b3lyp_6-31g(d).nwchem.inp (generated) 012101905.b3lyp_6-31g(d).log.xz 012101905.td-b3lyp_6-31g+(d).inp 012101905.td-b3lyp_6-31g+(d).log.xz

012101905.td-b3lyp_6-31+g(d).qchem.inp (generated)

012101905.td-b3lyp_6-31+g(d).gjf (generated)

012101905.td-b3lyp_6-31+g(d).firefly.inp (generated)

012101905.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012101905.mol 012101905.PUBCHEM 012101905.mol (via Jmol)
012101906.b3lyp_6-31g(d).inp

012101906.b3lyp_6-31g(d).qchem.inp (generated)

012101906.b3lyp_6-31g(d).gjf (generated)

012101906.b3lyp_6-31g(d).firefly.inp (generated)

012101906.b3lyp_6-31g(d).smash.inp (generated)

012101906.b3lyp_6-31g(d).nwchem.inp (generated) 012101906.b3lyp_6-31g(d).log.xz 012101906.td-b3lyp_6-31g+(d).inp 012101906.td-b3lyp_6-31g+(d).log.xz

012101906.td-b3lyp_6-31+g(d).qchem.inp (generated)

012101906.td-b3lyp_6-31+g(d).gjf (generated)

012101906.td-b3lyp_6-31+g(d).firefly.inp (generated)

012101906.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012101906.mol 012101906.PUBCHEM 012101906.mol (via Jmol)
012101926.b3lyp_6-31g(d).inp

012101926.b3lyp_6-31g(d).qchem.inp (generated)

012101926.b3lyp_6-31g(d).gjf (generated)

012101926.b3lyp_6-31g(d).firefly.inp (generated)

012101926.b3lyp_6-31g(d).smash.inp (generated)

012101926.b3lyp_6-31g(d).nwchem.inp (generated) 012101926.b3lyp_6-31g(d).log.xz 012101926.mol 012101926.PUBCHEM 012101926.mol (via Jmol)
012101933.b3lyp_6-31g(d).inp

012101933.b3lyp_6-31g(d).qchem.inp (generated)

012101933.b3lyp_6-31g(d).gjf (generated)

012101933.b3lyp_6-31g(d).firefly.inp (generated)

012101933.b3lyp_6-31g(d).smash.inp (generated)

012101933.b3lyp_6-31g(d).nwchem.inp (generated) 012101933.b3lyp_6-31g(d).log.xz 012101933.mol 012101933.PUBCHEM 012101933.mol (via Jmol)
012101966.b3lyp_6-31g(d).inp

012101966.b3lyp_6-31g(d).qchem.inp (generated)

012101966.b3lyp_6-31g(d).gjf (generated)

012101966.b3lyp_6-31g(d).firefly.inp (generated)

012101966.b3lyp_6-31g(d).smash.inp (generated)

012101966.b3lyp_6-31g(d).nwchem.inp (generated) 012101966.b3lyp_6-31g(d).log.xz 012101966.td-b3lyp_6-31g+(d).inp 012101966.td-b3lyp_6-31g+(d).log.xz

012101966.td-b3lyp_6-31+g(d).qchem.inp (generated)

012101966.td-b3lyp_6-31+g(d).gjf (generated)

012101966.td-b3lyp_6-31+g(d).firefly.inp (generated)

012101966.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012101966.mol 012101966.PUBCHEM 012101966.mol (via Jmol)
012101967.b3lyp_6-31g(d).inp

012101967.b3lyp_6-31g(d).qchem.inp (generated)

012101967.b3lyp_6-31g(d).gjf (generated)

012101967.b3lyp_6-31g(d).firefly.inp (generated)

012101967.b3lyp_6-31g(d).smash.inp (generated)

012101967.b3lyp_6-31g(d).nwchem.inp (generated) 012101967.b3lyp_6-31g(d).log.xz 012101967.td-b3lyp_6-31g+(d).inp 012101967.td-b3lyp_6-31g+(d).log.xz

012101967.td-b3lyp_6-31+g(d).qchem.inp (generated)

012101967.td-b3lyp_6-31+g(d).gjf (generated)

012101967.td-b3lyp_6-31+g(d).firefly.inp (generated)

012101967.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012101967.mol 012101967.PUBCHEM 012101967.mol (via Jmol)
012101976.b3lyp_6-31g(d).inp

012101976.b3lyp_6-31g(d).qchem.inp (generated)

012101976.b3lyp_6-31g(d).gjf (generated)

012101976.b3lyp_6-31g(d).firefly.inp (generated)

012101976.b3lyp_6-31g(d).smash.inp (generated)

012101976.b3lyp_6-31g(d).nwchem.inp (generated) 012101976.b3lyp_6-31g(d).log.xz 012101976.td-b3lyp_6-31g+(d).inp 012101976.td-b3lyp_6-31g+(d).log.xz

012101976.td-b3lyp_6-31+g(d).qchem.inp (generated)

012101976.td-b3lyp_6-31+g(d).gjf (generated)

012101976.td-b3lyp_6-31+g(d).firefly.inp (generated)

012101976.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012101976.mol 012101976.PUBCHEM 012101976.mol (via Jmol)
012101978.b3lyp_6-31g(d).inp

012101978.b3lyp_6-31g(d).qchem.inp (generated)

012101978.b3lyp_6-31g(d).gjf (generated)

012101978.b3lyp_6-31g(d).firefly.inp (generated)

012101978.b3lyp_6-31g(d).smash.inp (generated)

012101978.b3lyp_6-31g(d).nwchem.inp (generated) 012101978.b3lyp_6-31g(d).log.xz 012101978.td-b3lyp_6-31g+(d).inp 012101978.td-b3lyp_6-31g+(d).log.xz

012101978.td-b3lyp_6-31+g(d).qchem.inp (generated)

012101978.td-b3lyp_6-31+g(d).gjf (generated)

012101978.td-b3lyp_6-31+g(d).firefly.inp (generated)

012101978.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012101978.mol 012101978.PUBCHEM 012101978.mol (via Jmol)
012101980.b3lyp_6-31g(d).inp

012101980.b3lyp_6-31g(d).qchem.inp (generated)

012101980.b3lyp_6-31g(d).gjf (generated)

012101980.b3lyp_6-31g(d).firefly.inp (generated)

012101980.b3lyp_6-31g(d).smash.inp (generated)

012101980.b3lyp_6-31g(d).nwchem.inp (generated) 012101980.b3lyp_6-31g(d).log.xz 012101980.td-b3lyp_6-31g+(d).inp 012101980.td-b3lyp_6-31g+(d).log.xz

012101980.td-b3lyp_6-31+g(d).qchem.inp (generated)

012101980.td-b3lyp_6-31+g(d).gjf (generated)

012101980.td-b3lyp_6-31+g(d).firefly.inp (generated)

012101980.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012101980.mol 012101980.PUBCHEM 012101980.mol (via Jmol)
012101981.b3lyp_6-31g(d).inp

012101981.b3lyp_6-31g(d).qchem.inp (generated)

012101981.b3lyp_6-31g(d).gjf (generated)

012101981.b3lyp_6-31g(d).firefly.inp (generated)

012101981.b3lyp_6-31g(d).smash.inp (generated)

012101981.b3lyp_6-31g(d).nwchem.inp (generated) 012101981.b3lyp_6-31g(d).log.xz 012101981.td-b3lyp_6-31g+(d).inp 012101981.td-b3lyp_6-31g+(d).log.xz

012101981.td-b3lyp_6-31+g(d).qchem.inp (generated)

012101981.td-b3lyp_6-31+g(d).gjf (generated)

012101981.td-b3lyp_6-31+g(d).firefly.inp (generated)

012101981.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012101981.mol 012101981.PUBCHEM 012101981.mol (via Jmol)
012101982.b3lyp_6-31g(d).inp

012101982.b3lyp_6-31g(d).qchem.inp (generated)

012101982.b3lyp_6-31g(d).gjf (generated)

012101982.b3lyp_6-31g(d).firefly.inp (generated)

012101982.b3lyp_6-31g(d).smash.inp (generated)

012101982.b3lyp_6-31g(d).nwchem.inp (generated) 012101982.b3lyp_6-31g(d).log.xz 012101982.td-b3lyp_6-31g+(d).inp 012101982.td-b3lyp_6-31g+(d).log.xz

012101982.td-b3lyp_6-31+g(d).qchem.inp (generated)

012101982.td-b3lyp_6-31+g(d).gjf (generated)

012101982.td-b3lyp_6-31+g(d).firefly.inp (generated)

012101982.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012101982.mol 012101982.PUBCHEM 012101982.mol (via Jmol)
012101989.b3lyp_6-31g(d).inp

012101989.b3lyp_6-31g(d).qchem.inp (generated)

012101989.b3lyp_6-31g(d).gjf (generated)

012101989.b3lyp_6-31g(d).firefly.inp (generated)

012101989.b3lyp_6-31g(d).smash.inp (generated)

012101989.b3lyp_6-31g(d).nwchem.inp (generated) 012101989.b3lyp_6-31g(d).log.xz 012101989.td-b3lyp_6-31g+(d).inp 012101989.td-b3lyp_6-31g+(d).log.xz

012101989.td-b3lyp_6-31+g(d).qchem.inp (generated)

012101989.td-b3lyp_6-31+g(d).gjf (generated)

012101989.td-b3lyp_6-31+g(d).firefly.inp (generated)

012101989.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012101989.mol 012101989.PUBCHEM 012101989.mol (via Jmol)
012101990.b3lyp_6-31g(d).inp

012101990.b3lyp_6-31g(d).qchem.inp (generated)

012101990.b3lyp_6-31g(d).gjf (generated)

012101990.b3lyp_6-31g(d).firefly.inp (generated)

012101990.b3lyp_6-31g(d).smash.inp (generated)

012101990.b3lyp_6-31g(d).nwchem.inp (generated) 012101990.b3lyp_6-31g(d).log.xz 012101990.td-b3lyp_6-31g+(d).inp 012101990.td-b3lyp_6-31g+(d).log.xz

012101990.td-b3lyp_6-31+g(d).qchem.inp (generated)

012101990.td-b3lyp_6-31+g(d).gjf (generated)

012101990.td-b3lyp_6-31+g(d).firefly.inp (generated)

012101990.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012101990.mol 012101990.PUBCHEM 012101990.mol (via Jmol)
012102037.b3lyp_6-31g(d).inp

012102037.b3lyp_6-31g(d).qchem.inp (generated)

012102037.b3lyp_6-31g(d).gjf (generated)

012102037.b3lyp_6-31g(d).firefly.inp (generated)

012102037.b3lyp_6-31g(d).smash.inp (generated)

012102037.b3lyp_6-31g(d).nwchem.inp (generated) 012102037.b3lyp_6-31g(d).log.xz 012102037.mol 012102037.PUBCHEM 012102037.mol (via Jmol)
012102073.b3lyp_6-31g(d).inp

012102073.b3lyp_6-31g(d).qchem.inp (generated)

012102073.b3lyp_6-31g(d).gjf (generated)

012102073.b3lyp_6-31g(d).firefly.inp (generated)

012102073.b3lyp_6-31g(d).smash.inp (generated)

012102073.b3lyp_6-31g(d).nwchem.inp (generated) 012102073.b3lyp_6-31g(d).log.xz 012102073.td-b3lyp_6-31g+(d).inp 012102073.td-b3lyp_6-31g+(d).log.xz

012102073.td-b3lyp_6-31+g(d).qchem.inp (generated)

012102073.td-b3lyp_6-31+g(d).gjf (generated)

012102073.td-b3lyp_6-31+g(d).firefly.inp (generated)

012102073.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012102073.mol 012102073.PUBCHEM 012102073.mol (via Jmol)
012102230.b3lyp_6-31g(d).inp

012102230.b3lyp_6-31g(d).qchem.inp (generated)

012102230.b3lyp_6-31g(d).gjf (generated)

012102230.b3lyp_6-31g(d).firefly.inp (generated)

012102230.b3lyp_6-31g(d).smash.inp (generated)

012102230.b3lyp_6-31g(d).nwchem.inp (generated) 012102230.b3lyp_6-31g(d).log.xz 012102230.td-b3lyp_6-31g+(d).inp 012102230.td-b3lyp_6-31g+(d).log.xz

012102230.td-b3lyp_6-31+g(d).qchem.inp (generated)

012102230.td-b3lyp_6-31+g(d).gjf (generated)

012102230.td-b3lyp_6-31+g(d).firefly.inp (generated)

012102230.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012102230.mol 012102230.PUBCHEM 012102230.mol (via Jmol)
012102241.b3lyp_6-31g(d).inp

012102241.b3lyp_6-31g(d).qchem.inp (generated)

012102241.b3lyp_6-31g(d).gjf (generated)

012102241.b3lyp_6-31g(d).firefly.inp (generated)

012102241.b3lyp_6-31g(d).smash.inp (generated)

012102241.b3lyp_6-31g(d).nwchem.inp (generated) 012102241.b3lyp_6-31g(d).log.xz 012102241.td-b3lyp_6-31g+(d).inp 012102241.td-b3lyp_6-31g+(d).log.xz

012102241.td-b3lyp_6-31+g(d).qchem.inp (generated)

012102241.td-b3lyp_6-31+g(d).gjf (generated)

012102241.td-b3lyp_6-31+g(d).firefly.inp (generated)

012102241.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012102241.mol 012102241.PUBCHEM 012102241.mol (via Jmol)
012102316.b3lyp_6-31g(d).inp

012102316.b3lyp_6-31g(d).qchem.inp (generated)

012102316.b3lyp_6-31g(d).gjf (generated)

012102316.b3lyp_6-31g(d).firefly.inp (generated)

012102316.b3lyp_6-31g(d).smash.inp (generated)

012102316.b3lyp_6-31g(d).nwchem.inp (generated) 012102316.b3lyp_6-31g(d).log.xz 012102316.td-b3lyp_6-31g+(d).inp 012102316.td-b3lyp_6-31g+(d).log.xz

012102316.td-b3lyp_6-31+g(d).qchem.inp (generated)

012102316.td-b3lyp_6-31+g(d).gjf (generated)

012102316.td-b3lyp_6-31+g(d).firefly.inp (generated)

012102316.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012102316.mol 012102316.PUBCHEM 012102316.mol (via Jmol)
012102501.b3lyp_6-31g(d).inp

012102501.b3lyp_6-31g(d).qchem.inp (generated)

012102501.b3lyp_6-31g(d).gjf (generated)

012102501.b3lyp_6-31g(d).firefly.inp (generated)

012102501.b3lyp_6-31g(d).smash.inp (generated)

012102501.b3lyp_6-31g(d).nwchem.inp (generated) 012102501.b3lyp_6-31g(d).log.xz 012102501.td-b3lyp_6-31g+(d).inp 012102501.td-b3lyp_6-31g+(d).log.xz

012102501.td-b3lyp_6-31+g(d).qchem.inp (generated)

012102501.td-b3lyp_6-31+g(d).gjf (generated)

012102501.td-b3lyp_6-31+g(d).firefly.inp (generated)

012102501.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012102501.mol 012102501.PUBCHEM 012102501.mol (via Jmol)
012102565.b3lyp_6-31g(d).inp

012102565.b3lyp_6-31g(d).qchem.inp (generated)

012102565.b3lyp_6-31g(d).gjf (generated)

012102565.b3lyp_6-31g(d).firefly.inp (generated)

012102565.b3lyp_6-31g(d).smash.inp (generated)

012102565.b3lyp_6-31g(d).nwchem.inp (generated) 012102565.b3lyp_6-31g(d).log.xz 012102565.mol 012102565.PUBCHEM 012102565.mol (via Jmol)
012102669.b3lyp_6-31g(d).inp

012102669.b3lyp_6-31g(d).qchem.inp (generated)

012102669.b3lyp_6-31g(d).gjf (generated)

012102669.b3lyp_6-31g(d).firefly.inp (generated)

012102669.b3lyp_6-31g(d).smash.inp (generated)

012102669.b3lyp_6-31g(d).nwchem.inp (generated) 012102669.b3lyp_6-31g(d).log.xz 012102669.td-b3lyp_6-31g+(d).inp 012102669.td-b3lyp_6-31g+(d).log.xz

012102669.td-b3lyp_6-31+g(d).qchem.inp (generated)

012102669.td-b3lyp_6-31+g(d).gjf (generated)

012102669.td-b3lyp_6-31+g(d).firefly.inp (generated)

012102669.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012102669.mol 012102669.PUBCHEM 012102669.mol (via Jmol)
012102671.b3lyp_6-31g(d).inp

012102671.b3lyp_6-31g(d).qchem.inp (generated)

012102671.b3lyp_6-31g(d).gjf (generated)

012102671.b3lyp_6-31g(d).firefly.inp (generated)

012102671.b3lyp_6-31g(d).smash.inp (generated)

012102671.b3lyp_6-31g(d).nwchem.inp (generated) 012102671.b3lyp_6-31g(d).log.xz 012102671.td-b3lyp_6-31g+(d).inp 012102671.td-b3lyp_6-31g+(d).log.xz

012102671.td-b3lyp_6-31+g(d).qchem.inp (generated)

012102671.td-b3lyp_6-31+g(d).gjf (generated)

012102671.td-b3lyp_6-31+g(d).firefly.inp (generated)

012102671.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012102671.mol 012102671.PUBCHEM 012102671.mol (via Jmol)
012102674.b3lyp_6-31g(d).inp

012102674.b3lyp_6-31g(d).qchem.inp (generated)

012102674.b3lyp_6-31g(d).gjf (generated)

012102674.b3lyp_6-31g(d).firefly.inp (generated)

012102674.b3lyp_6-31g(d).smash.inp (generated)

012102674.b3lyp_6-31g(d).nwchem.inp (generated) 012102674.b3lyp_6-31g(d).log.xz 012102674.td-b3lyp_6-31g+(d).inp 012102674.td-b3lyp_6-31g+(d).log.xz

012102674.td-b3lyp_6-31+g(d).qchem.inp (generated)

012102674.td-b3lyp_6-31+g(d).gjf (generated)

012102674.td-b3lyp_6-31+g(d).firefly.inp (generated)

012102674.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012102674.mol 012102674.PUBCHEM 012102674.mol (via Jmol)
012102676.b3lyp_6-31g(d).inp

012102676.b3lyp_6-31g(d).qchem.inp (generated)

012102676.b3lyp_6-31g(d).gjf (generated)

012102676.b3lyp_6-31g(d).firefly.inp (generated)

012102676.b3lyp_6-31g(d).smash.inp (generated)

012102676.b3lyp_6-31g(d).nwchem.inp (generated) 012102676.b3lyp_6-31g(d).log.xz 012102676.td-b3lyp_6-31g+(d).inp 012102676.td-b3lyp_6-31g+(d).log.xz

012102676.td-b3lyp_6-31+g(d).qchem.inp (generated)

012102676.td-b3lyp_6-31+g(d).gjf (generated)

012102676.td-b3lyp_6-31+g(d).firefly.inp (generated)

012102676.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012102676.mol 012102676.PUBCHEM 012102676.mol (via Jmol)
012102677.b3lyp_6-31g(d).inp

012102677.b3lyp_6-31g(d).qchem.inp (generated)

012102677.b3lyp_6-31g(d).gjf (generated)

012102677.b3lyp_6-31g(d).firefly.inp (generated)

012102677.b3lyp_6-31g(d).smash.inp (generated)

012102677.b3lyp_6-31g(d).nwchem.inp (generated) 012102677.b3lyp_6-31g(d).log.xz 012102677.td-b3lyp_6-31g+(d).inp 012102677.td-b3lyp_6-31g+(d).log.xz

012102677.td-b3lyp_6-31+g(d).qchem.inp (generated)

012102677.td-b3lyp_6-31+g(d).gjf (generated)

012102677.td-b3lyp_6-31+g(d).firefly.inp (generated)

012102677.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012102677.mol 012102677.PUBCHEM 012102677.mol (via Jmol)
012102707.b3lyp_6-31g(d).inp

012102707.b3lyp_6-31g(d).qchem.inp (generated)

012102707.b3lyp_6-31g(d).gjf (generated)

012102707.b3lyp_6-31g(d).firefly.inp (generated)

012102707.b3lyp_6-31g(d).smash.inp (generated)

012102707.b3lyp_6-31g(d).nwchem.inp (generated) 012102707.b3lyp_6-31g(d).log.xz 012102707.td-b3lyp_6-31g+(d).inp 012102707.td-b3lyp_6-31g+(d).log.xz

012102707.td-b3lyp_6-31+g(d).qchem.inp (generated)

012102707.td-b3lyp_6-31+g(d).gjf (generated)

012102707.td-b3lyp_6-31+g(d).firefly.inp (generated)

012102707.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012102707.mol 012102707.PUBCHEM 012102707.mol (via Jmol)
012102754.b3lyp_6-31g(d).inp

012102754.b3lyp_6-31g(d).qchem.inp (generated)

012102754.b3lyp_6-31g(d).gjf (generated)

012102754.b3lyp_6-31g(d).firefly.inp (generated)

012102754.b3lyp_6-31g(d).smash.inp (generated)

012102754.b3lyp_6-31g(d).nwchem.inp (generated) 012102754.b3lyp_6-31g(d).log.xz 012102754.td-b3lyp_6-31g+(d).inp 012102754.td-b3lyp_6-31g+(d).log.xz

012102754.td-b3lyp_6-31+g(d).qchem.inp (generated)

012102754.td-b3lyp_6-31+g(d).gjf (generated)

012102754.td-b3lyp_6-31+g(d).firefly.inp (generated)

012102754.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012102754.mol 012102754.PUBCHEM 012102754.mol (via Jmol)
012102755.b3lyp_6-31g(d).inp

012102755.b3lyp_6-31g(d).qchem.inp (generated)

012102755.b3lyp_6-31g(d).gjf (generated)

012102755.b3lyp_6-31g(d).firefly.inp (generated)

012102755.b3lyp_6-31g(d).smash.inp (generated)

012102755.b3lyp_6-31g(d).nwchem.inp (generated) 012102755.b3lyp_6-31g(d).log.xz 012102755.td-b3lyp_6-31g+(d).inp 012102755.td-b3lyp_6-31g+(d).log.xz

012102755.td-b3lyp_6-31+g(d).qchem.inp (generated)

012102755.td-b3lyp_6-31+g(d).gjf (generated)

012102755.td-b3lyp_6-31+g(d).firefly.inp (generated)

012102755.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012102755.mol 012102755.PUBCHEM 012102755.mol (via Jmol)
012102756.b3lyp_6-31g(d).inp

012102756.b3lyp_6-31g(d).qchem.inp (generated)

012102756.b3lyp_6-31g(d).gjf (generated)

012102756.b3lyp_6-31g(d).firefly.inp (generated)

012102756.b3lyp_6-31g(d).smash.inp (generated)

012102756.b3lyp_6-31g(d).nwchem.inp (generated) 012102756.b3lyp_6-31g(d).log.xz 012102756.td-b3lyp_6-31g+(d).inp 012102756.td-b3lyp_6-31g+(d).log.xz

012102756.td-b3lyp_6-31+g(d).qchem.inp (generated)

012102756.td-b3lyp_6-31+g(d).gjf (generated)

012102756.td-b3lyp_6-31+g(d).firefly.inp (generated)

012102756.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012102756.mol 012102756.PUBCHEM 012102756.mol (via Jmol)
012102862.b3lyp_6-31g(d).inp

012102862.b3lyp_6-31g(d).qchem.inp (generated)

012102862.b3lyp_6-31g(d).gjf (generated)

012102862.b3lyp_6-31g(d).firefly.inp (generated)

012102862.b3lyp_6-31g(d).smash.inp (generated)

012102862.b3lyp_6-31g(d).nwchem.inp (generated) 012102862.b3lyp_6-31g(d).log.xz 012102862.mol 012102862.PUBCHEM 012102862.mol (via Jmol)
012102887.b3lyp_6-31g(d).inp

012102887.b3lyp_6-31g(d).qchem.inp (generated)

012102887.b3lyp_6-31g(d).gjf (generated)

012102887.b3lyp_6-31g(d).firefly.inp (generated)

012102887.b3lyp_6-31g(d).smash.inp (generated)

012102887.b3lyp_6-31g(d).nwchem.inp (generated) 012102887.b3lyp_6-31g(d).log.xz 012102887.td-b3lyp_6-31g+(d).inp 012102887.td-b3lyp_6-31g+(d).log.xz

012102887.td-b3lyp_6-31+g(d).qchem.inp (generated)

012102887.td-b3lyp_6-31+g(d).gjf (generated)

012102887.td-b3lyp_6-31+g(d).firefly.inp (generated)

012102887.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012102887.mol 012102887.PUBCHEM 012102887.mol (via Jmol)
012102889.b3lyp_6-31g(d).inp

012102889.b3lyp_6-31g(d).qchem.inp (generated)

012102889.b3lyp_6-31g(d).gjf (generated)

012102889.b3lyp_6-31g(d).firefly.inp (generated)

012102889.b3lyp_6-31g(d).smash.inp (generated)

012102889.b3lyp_6-31g(d).nwchem.inp (generated) 012102889.b3lyp_6-31g(d).log.xz 012102889.td-b3lyp_6-31g+(d).inp 012102889.td-b3lyp_6-31g+(d).log.xz

012102889.td-b3lyp_6-31+g(d).qchem.inp (generated)

012102889.td-b3lyp_6-31+g(d).gjf (generated)

012102889.td-b3lyp_6-31+g(d).firefly.inp (generated)

012102889.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012102889.mol 012102889.PUBCHEM 012102889.mol (via Jmol)
012103035.b3lyp_6-31g(d).inp

012103035.b3lyp_6-31g(d).qchem.inp (generated)

012103035.b3lyp_6-31g(d).gjf (generated)

012103035.b3lyp_6-31g(d).firefly.inp (generated)

012103035.b3lyp_6-31g(d).smash.inp (generated)

012103035.b3lyp_6-31g(d).nwchem.inp (generated) 012103035.b3lyp_6-31g(d).log.xz 012103035.mol 012103035.PUBCHEM 012103035.mol (via Jmol)
012103036.b3lyp_6-31g(d).inp

012103036.b3lyp_6-31g(d).qchem.inp (generated)

012103036.b3lyp_6-31g(d).gjf (generated)

012103036.b3lyp_6-31g(d).firefly.inp (generated)

012103036.b3lyp_6-31g(d).smash.inp (generated)

012103036.b3lyp_6-31g(d).nwchem.inp (generated) 012103036.b3lyp_6-31g(d).log.xz 012103036.td-b3lyp_6-31g+(d).inp 012103036.td-b3lyp_6-31g+(d).log.xz

012103036.td-b3lyp_6-31+g(d).qchem.inp (generated)

012103036.td-b3lyp_6-31+g(d).gjf (generated)

012103036.td-b3lyp_6-31+g(d).firefly.inp (generated)

012103036.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012103036.mol 012103036.PUBCHEM 012103036.mol (via Jmol)
012103056.b3lyp_6-31g(d).inp

012103056.b3lyp_6-31g(d).qchem.inp (generated)

012103056.b3lyp_6-31g(d).gjf (generated)

012103056.b3lyp_6-31g(d).firefly.inp (generated)

012103056.b3lyp_6-31g(d).smash.inp (generated)

012103056.b3lyp_6-31g(d).nwchem.inp (generated) 012103056.b3lyp_6-31g(d).log.xz 012103056.mol 012103056.PUBCHEM 012103056.mol (via Jmol)
012103057.b3lyp_6-31g(d).inp

012103057.b3lyp_6-31g(d).qchem.inp (generated)

012103057.b3lyp_6-31g(d).gjf (generated)

012103057.b3lyp_6-31g(d).firefly.inp (generated)

012103057.b3lyp_6-31g(d).smash.inp (generated)

012103057.b3lyp_6-31g(d).nwchem.inp (generated) 012103057.b3lyp_6-31g(d).log.xz 012103057.td-b3lyp_6-31g+(d).inp 012103057.td-b3lyp_6-31g+(d).log.xz

012103057.td-b3lyp_6-31+g(d).qchem.inp (generated)

012103057.td-b3lyp_6-31+g(d).gjf (generated)

012103057.td-b3lyp_6-31+g(d).firefly.inp (generated)

012103057.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012103057.mol 012103057.PUBCHEM 012103057.mol (via Jmol)
012103214.b3lyp_6-31g(d).inp

012103214.b3lyp_6-31g(d).qchem.inp (generated)

012103214.b3lyp_6-31g(d).gjf (generated)

012103214.b3lyp_6-31g(d).firefly.inp (generated)

012103214.b3lyp_6-31g(d).smash.inp (generated)

012103214.b3lyp_6-31g(d).nwchem.inp (generated) 012103214.b3lyp_6-31g(d).log.xz 012103214.mol 012103214.PUBCHEM 012103214.mol (via Jmol)
012103216.b3lyp_6-31g(d).inp

012103216.b3lyp_6-31g(d).qchem.inp (generated)

012103216.b3lyp_6-31g(d).gjf (generated)

012103216.b3lyp_6-31g(d).firefly.inp (generated)

012103216.b3lyp_6-31g(d).smash.inp (generated)

012103216.b3lyp_6-31g(d).nwchem.inp (generated) 012103216.b3lyp_6-31g(d).log.xz 012103216.td-b3lyp_6-31g+(d).inp 012103216.td-b3lyp_6-31g+(d).log.xz

012103216.td-b3lyp_6-31+g(d).qchem.inp (generated)

012103216.td-b3lyp_6-31+g(d).gjf (generated)

012103216.td-b3lyp_6-31+g(d).firefly.inp (generated)

012103216.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012103216.mol 012103216.PUBCHEM 012103216.mol (via Jmol)
012103218.b3lyp_6-31g(d).inp

012103218.b3lyp_6-31g(d).qchem.inp (generated)

012103218.b3lyp_6-31g(d).gjf (generated)

012103218.b3lyp_6-31g(d).firefly.inp (generated)

012103218.b3lyp_6-31g(d).smash.inp (generated)

012103218.b3lyp_6-31g(d).nwchem.inp (generated) 012103218.b3lyp_6-31g(d).log.xz 012103218.td-b3lyp_6-31g+(d).inp 012103218.td-b3lyp_6-31g+(d).log.xz

012103218.td-b3lyp_6-31+g(d).qchem.inp (generated)

012103218.td-b3lyp_6-31+g(d).gjf (generated)

012103218.td-b3lyp_6-31+g(d).firefly.inp (generated)

012103218.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012103218.mol 012103218.PUBCHEM 012103218.mol (via Jmol)
012103247.b3lyp_6-31g(d).inp

012103247.b3lyp_6-31g(d).qchem.inp (generated)

012103247.b3lyp_6-31g(d).gjf (generated)

012103247.b3lyp_6-31g(d).firefly.inp (generated)

012103247.b3lyp_6-31g(d).smash.inp (generated)

012103247.b3lyp_6-31g(d).nwchem.inp (generated) 012103247.b3lyp_6-31g(d).log.xz 012103247.td-b3lyp_6-31g+(d).inp 012103247.td-b3lyp_6-31g+(d).log.xz

012103247.td-b3lyp_6-31+g(d).qchem.inp (generated)

012103247.td-b3lyp_6-31+g(d).gjf (generated)

012103247.td-b3lyp_6-31+g(d).firefly.inp (generated)

012103247.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012103247.mol 012103247.PUBCHEM 012103247.mol (via Jmol)
012103349.b3lyp_6-31g(d).inp

012103349.b3lyp_6-31g(d).qchem.inp (generated)

012103349.b3lyp_6-31g(d).gjf (generated)

012103349.b3lyp_6-31g(d).firefly.inp (generated)

012103349.b3lyp_6-31g(d).smash.inp (generated)

012103349.b3lyp_6-31g(d).nwchem.inp (generated) 012103349.b3lyp_6-31g(d).log.xz 012103349.td-b3lyp_6-31g+(d).inp 012103349.td-b3lyp_6-31g+(d).log.xz

012103349.td-b3lyp_6-31+g(d).qchem.inp (generated)

012103349.td-b3lyp_6-31+g(d).gjf (generated)

012103349.td-b3lyp_6-31+g(d).firefly.inp (generated)

012103349.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012103349.mol 012103349.PUBCHEM 012103349.mol (via Jmol)
012103410.b3lyp_6-31g(d).inp

012103410.b3lyp_6-31g(d).qchem.inp (generated)

012103410.b3lyp_6-31g(d).gjf (generated)

012103410.b3lyp_6-31g(d).firefly.inp (generated)

012103410.b3lyp_6-31g(d).smash.inp (generated)

012103410.b3lyp_6-31g(d).nwchem.inp (generated) 012103410.b3lyp_6-31g(d).log.xz 012103410.td-b3lyp_6-31g+(d).inp 012103410.td-b3lyp_6-31g+(d).log.xz

012103410.td-b3lyp_6-31+g(d).qchem.inp (generated)

012103410.td-b3lyp_6-31+g(d).gjf (generated)

012103410.td-b3lyp_6-31+g(d).firefly.inp (generated)

012103410.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012103410.mol 012103410.PUBCHEM 012103410.mol (via Jmol)
012103531.b3lyp_6-31g(d).inp

012103531.b3lyp_6-31g(d).qchem.inp (generated)

012103531.b3lyp_6-31g(d).gjf (generated)

012103531.b3lyp_6-31g(d).firefly.inp (generated)

012103531.b3lyp_6-31g(d).smash.inp (generated)

012103531.b3lyp_6-31g(d).nwchem.inp (generated) 012103531.b3lyp_6-31g(d).log.xz 012103531.td-b3lyp_6-31g+(d).inp 012103531.td-b3lyp_6-31g+(d).log.xz

012103531.td-b3lyp_6-31+g(d).qchem.inp (generated)

012103531.td-b3lyp_6-31+g(d).gjf (generated)

012103531.td-b3lyp_6-31+g(d).firefly.inp (generated)

012103531.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012103531.mol 012103531.PUBCHEM 012103531.mol (via Jmol)
012103562.b3lyp_6-31g(d).inp

012103562.b3lyp_6-31g(d).qchem.inp (generated)

012103562.b3lyp_6-31g(d).gjf (generated)

012103562.b3lyp_6-31g(d).firefly.inp (generated)

012103562.b3lyp_6-31g(d).smash.inp (generated)

012103562.b3lyp_6-31g(d).nwchem.inp (generated) 012103562.b3lyp_6-31g(d).log.xz 012103562.td-b3lyp_6-31g+(d).inp 012103562.td-b3lyp_6-31g+(d).log.xz

012103562.td-b3lyp_6-31+g(d).qchem.inp (generated)

012103562.td-b3lyp_6-31+g(d).gjf (generated)

012103562.td-b3lyp_6-31+g(d).firefly.inp (generated)

012103562.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012103562.mol 012103562.PUBCHEM 012103562.mol (via Jmol)
012103607.b3lyp_6-31g(d).inp

012103607.b3lyp_6-31g(d).qchem.inp (generated)

012103607.b3lyp_6-31g(d).gjf (generated)

012103607.b3lyp_6-31g(d).firefly.inp (generated)

012103607.b3lyp_6-31g(d).smash.inp (generated)

012103607.b3lyp_6-31g(d).nwchem.inp (generated) 012103607.b3lyp_6-31g(d).log.xz 012103607.td-b3lyp_6-31g+(d).inp 012103607.td-b3lyp_6-31g+(d).log.xz

012103607.td-b3lyp_6-31+g(d).qchem.inp (generated)

012103607.td-b3lyp_6-31+g(d).gjf (generated)

012103607.td-b3lyp_6-31+g(d).firefly.inp (generated)

012103607.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012103607.mol 012103607.PUBCHEM 012103607.mol (via Jmol)
012103667.b3lyp_6-31g(d).inp

012103667.b3lyp_6-31g(d).qchem.inp (generated)

012103667.b3lyp_6-31g(d).gjf (generated)

012103667.b3lyp_6-31g(d).firefly.inp (generated)

012103667.b3lyp_6-31g(d).smash.inp (generated)

012103667.b3lyp_6-31g(d).nwchem.inp (generated) 012103667.b3lyp_6-31g(d).log.xz 012103667.td-b3lyp_6-31g+(d).inp 012103667.td-b3lyp_6-31g+(d).log.xz

012103667.td-b3lyp_6-31+g(d).qchem.inp (generated)

012103667.td-b3lyp_6-31+g(d).gjf (generated)

012103667.td-b3lyp_6-31+g(d).firefly.inp (generated)

012103667.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012103667.mol 012103667.PUBCHEM 012103667.mol (via Jmol)
012103733.b3lyp_6-31g(d).inp

012103733.b3lyp_6-31g(d).qchem.inp (generated)

012103733.b3lyp_6-31g(d).gjf (generated)

012103733.b3lyp_6-31g(d).firefly.inp (generated)

012103733.b3lyp_6-31g(d).smash.inp (generated)

012103733.b3lyp_6-31g(d).nwchem.inp (generated) 012103733.b3lyp_6-31g(d).log.xz 012103733.td-b3lyp_6-31g+(d).inp 012103733.td-b3lyp_6-31g+(d).log.xz

012103733.td-b3lyp_6-31+g(d).qchem.inp (generated)

012103733.td-b3lyp_6-31+g(d).gjf (generated)

012103733.td-b3lyp_6-31+g(d).firefly.inp (generated)

012103733.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012103733.mol 012103733.PUBCHEM 012103733.mol (via Jmol)
012103900.b3lyp_6-31g(d).inp

012103900.b3lyp_6-31g(d).qchem.inp (generated)

012103900.b3lyp_6-31g(d).gjf (generated)

012103900.b3lyp_6-31g(d).firefly.inp (generated)

012103900.b3lyp_6-31g(d).smash.inp (generated)

012103900.b3lyp_6-31g(d).nwchem.inp (generated) 012103900.b3lyp_6-31g(d).log.xz 012103900.td-b3lyp_6-31g+(d).inp 012103900.td-b3lyp_6-31g+(d).log.xz

012103900.td-b3lyp_6-31+g(d).qchem.inp (generated)

012103900.td-b3lyp_6-31+g(d).gjf (generated)

012103900.td-b3lyp_6-31+g(d).firefly.inp (generated)

012103900.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012103900.mol 012103900.PUBCHEM 012103900.mol (via Jmol)
012103978.b3lyp_6-31g(d).inp

012103978.b3lyp_6-31g(d).qchem.inp (generated)

012103978.b3lyp_6-31g(d).gjf (generated)

012103978.b3lyp_6-31g(d).firefly.inp (generated)

012103978.b3lyp_6-31g(d).smash.inp (generated)

012103978.b3lyp_6-31g(d).nwchem.inp (generated) 012103978.b3lyp_6-31g(d).log.xz 012103978.td-b3lyp_6-31g+(d).inp 012103978.td-b3lyp_6-31g+(d).log.xz

012103978.td-b3lyp_6-31+g(d).qchem.inp (generated)

012103978.td-b3lyp_6-31+g(d).gjf (generated)

012103978.td-b3lyp_6-31+g(d).firefly.inp (generated)

012103978.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012103978.mol 012103978.PUBCHEM 012103978.mol (via Jmol)
012104056.b3lyp_6-31g(d).inp

012104056.b3lyp_6-31g(d).qchem.inp (generated)

012104056.b3lyp_6-31g(d).gjf (generated)

012104056.b3lyp_6-31g(d).firefly.inp (generated)

012104056.b3lyp_6-31g(d).smash.inp (generated)

012104056.b3lyp_6-31g(d).nwchem.inp (generated) 012104056.b3lyp_6-31g(d).log.xz 012104056.td-b3lyp_6-31g+(d).inp 012104056.td-b3lyp_6-31g+(d).log.xz

012104056.td-b3lyp_6-31+g(d).qchem.inp (generated)

012104056.td-b3lyp_6-31+g(d).gjf (generated)

012104056.td-b3lyp_6-31+g(d).firefly.inp (generated)

012104056.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012104056.mol 012104056.PUBCHEM 012104056.mol (via Jmol)
012104057.b3lyp_6-31g(d).inp

012104057.b3lyp_6-31g(d).qchem.inp (generated)

012104057.b3lyp_6-31g(d).gjf (generated)

012104057.b3lyp_6-31g(d).firefly.inp (generated)

012104057.b3lyp_6-31g(d).smash.inp (generated)

012104057.b3lyp_6-31g(d).nwchem.inp (generated) 012104057.b3lyp_6-31g(d).log.xz 012104057.td-b3lyp_6-31g+(d).inp 012104057.td-b3lyp_6-31g+(d).log.xz

012104057.td-b3lyp_6-31+g(d).qchem.inp (generated)

012104057.td-b3lyp_6-31+g(d).gjf (generated)

012104057.td-b3lyp_6-31+g(d).firefly.inp (generated)

012104057.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012104057.mol 012104057.PUBCHEM 012104057.mol (via Jmol)
012104169.b3lyp_6-31g(d).inp

012104169.b3lyp_6-31g(d).qchem.inp (generated)

012104169.b3lyp_6-31g(d).gjf (generated)

012104169.b3lyp_6-31g(d).firefly.inp (generated)

012104169.b3lyp_6-31g(d).smash.inp (generated)

012104169.b3lyp_6-31g(d).nwchem.inp (generated) 012104169.b3lyp_6-31g(d).log.xz 012104169.td-b3lyp_6-31g+(d).inp 012104169.td-b3lyp_6-31g+(d).log.xz

012104169.td-b3lyp_6-31+g(d).qchem.inp (generated)

012104169.td-b3lyp_6-31+g(d).gjf (generated)

012104169.td-b3lyp_6-31+g(d).firefly.inp (generated)

012104169.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012104169.mol 012104169.PUBCHEM 012104169.mol (via Jmol)
012104191.b3lyp_6-31g(d).inp

012104191.b3lyp_6-31g(d).qchem.inp (generated)

012104191.b3lyp_6-31g(d).gjf (generated)

012104191.b3lyp_6-31g(d).firefly.inp (generated)

012104191.b3lyp_6-31g(d).smash.inp (generated)

012104191.b3lyp_6-31g(d).nwchem.inp (generated) 012104191.b3lyp_6-31g(d).log.xz 012104191.mol 012104191.PUBCHEM 012104191.mol (via Jmol)
012104195.b3lyp_6-31g(d).inp

012104195.b3lyp_6-31g(d).qchem.inp (generated)

012104195.b3lyp_6-31g(d).gjf (generated)

012104195.b3lyp_6-31g(d).firefly.inp (generated)

012104195.b3lyp_6-31g(d).smash.inp (generated)

012104195.b3lyp_6-31g(d).nwchem.inp (generated) 012104195.b3lyp_6-31g(d).log.xz 012104195.td-b3lyp_6-31g+(d).inp 012104195.td-b3lyp_6-31g+(d).log.xz

012104195.td-b3lyp_6-31+g(d).qchem.inp (generated)

012104195.td-b3lyp_6-31+g(d).gjf (generated)

012104195.td-b3lyp_6-31+g(d).firefly.inp (generated)

012104195.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012104195.mol 012104195.PUBCHEM 012104195.mol (via Jmol)
012104204.b3lyp_6-31g(d).inp

012104204.b3lyp_6-31g(d).qchem.inp (generated)

012104204.b3lyp_6-31g(d).gjf (generated)

012104204.b3lyp_6-31g(d).firefly.inp (generated)

012104204.b3lyp_6-31g(d).smash.inp (generated)

012104204.b3lyp_6-31g(d).nwchem.inp (generated) 012104204.b3lyp_6-31g(d).log.xz 012104204.td-b3lyp_6-31g+(d).inp 012104204.td-b3lyp_6-31g+(d).log.xz

012104204.td-b3lyp_6-31+g(d).qchem.inp (generated)

012104204.td-b3lyp_6-31+g(d).gjf (generated)

012104204.td-b3lyp_6-31+g(d).firefly.inp (generated)

012104204.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012104204.mol 012104204.PUBCHEM 012104204.mol (via Jmol)
012104253.b3lyp_6-31g(d).inp

012104253.b3lyp_6-31g(d).qchem.inp (generated)

012104253.b3lyp_6-31g(d).gjf (generated)

012104253.b3lyp_6-31g(d).firefly.inp (generated)

012104253.b3lyp_6-31g(d).smash.inp (generated)

012104253.b3lyp_6-31g(d).nwchem.inp (generated) 012104253.b3lyp_6-31g(d).log.xz 012104253.td-b3lyp_6-31g+(d).inp 012104253.td-b3lyp_6-31g+(d).log.xz

012104253.td-b3lyp_6-31+g(d).qchem.inp (generated)

012104253.td-b3lyp_6-31+g(d).gjf (generated)

012104253.td-b3lyp_6-31+g(d).firefly.inp (generated)

012104253.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012104253.mol 012104253.PUBCHEM 012104253.mol (via Jmol)
012104260.b3lyp_6-31g(d).inp

012104260.b3lyp_6-31g(d).qchem.inp (generated)

012104260.b3lyp_6-31g(d).gjf (generated)

012104260.b3lyp_6-31g(d).firefly.inp (generated)

012104260.b3lyp_6-31g(d).smash.inp (generated)

012104260.b3lyp_6-31g(d).nwchem.inp (generated) 012104260.b3lyp_6-31g(d).log.xz 012104260.td-b3lyp_6-31g+(d).inp 012104260.td-b3lyp_6-31g+(d).log.xz

012104260.td-b3lyp_6-31+g(d).qchem.inp (generated)

012104260.td-b3lyp_6-31+g(d).gjf (generated)

012104260.td-b3lyp_6-31+g(d).firefly.inp (generated)

012104260.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012104260.mol 012104260.PUBCHEM 012104260.mol (via Jmol)
012104267.b3lyp_6-31g(d).inp

012104267.b3lyp_6-31g(d).qchem.inp (generated)

012104267.b3lyp_6-31g(d).gjf (generated)

012104267.b3lyp_6-31g(d).firefly.inp (generated)

012104267.b3lyp_6-31g(d).smash.inp (generated)

012104267.b3lyp_6-31g(d).nwchem.inp (generated) 012104267.b3lyp_6-31g(d).log.xz 012104267.td-b3lyp_6-31g+(d).inp 012104267.td-b3lyp_6-31g+(d).log.xz

012104267.td-b3lyp_6-31+g(d).qchem.inp (generated)

012104267.td-b3lyp_6-31+g(d).gjf (generated)

012104267.td-b3lyp_6-31+g(d).firefly.inp (generated)

012104267.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012104267.mol 012104267.PUBCHEM 012104267.mol (via Jmol)
012104285.b3lyp_6-31g(d).inp

012104285.b3lyp_6-31g(d).qchem.inp (generated)

012104285.b3lyp_6-31g(d).gjf (generated)

012104285.b3lyp_6-31g(d).firefly.inp (generated)

012104285.b3lyp_6-31g(d).smash.inp (generated)

012104285.b3lyp_6-31g(d).nwchem.inp (generated) 012104285.b3lyp_6-31g(d).log.xz 012104285.td-b3lyp_6-31g+(d).inp 012104285.td-b3lyp_6-31g+(d).log.xz

012104285.td-b3lyp_6-31+g(d).qchem.inp (generated)

012104285.td-b3lyp_6-31+g(d).gjf (generated)

012104285.td-b3lyp_6-31+g(d).firefly.inp (generated)

012104285.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012104285.mol 012104285.PUBCHEM 012104285.mol (via Jmol)
012104314.b3lyp_6-31g(d).inp

012104314.b3lyp_6-31g(d).qchem.inp (generated)

012104314.b3lyp_6-31g(d).gjf (generated)

012104314.b3lyp_6-31g(d).firefly.inp (generated)

012104314.b3lyp_6-31g(d).smash.inp (generated)

012104314.b3lyp_6-31g(d).nwchem.inp (generated) 012104314.b3lyp_6-31g(d).log.xz 012104314.td-b3lyp_6-31g+(d).inp 012104314.td-b3lyp_6-31g+(d).log.xz

012104314.td-b3lyp_6-31+g(d).qchem.inp (generated)

012104314.td-b3lyp_6-31+g(d).gjf (generated)

012104314.td-b3lyp_6-31+g(d).firefly.inp (generated)

012104314.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012104314.mol 012104314.PUBCHEM 012104314.mol (via Jmol)
012104327.b3lyp_6-31g(d).inp

012104327.b3lyp_6-31g(d).qchem.inp (generated)

012104327.b3lyp_6-31g(d).gjf (generated)

012104327.b3lyp_6-31g(d).firefly.inp (generated)

012104327.b3lyp_6-31g(d).smash.inp (generated)

012104327.b3lyp_6-31g(d).nwchem.inp (generated) 012104327.b3lyp_6-31g(d).log.xz 012104327.td-b3lyp_6-31g+(d).inp 012104327.td-b3lyp_6-31g+(d).log.xz

012104327.td-b3lyp_6-31+g(d).qchem.inp (generated)

012104327.td-b3lyp_6-31+g(d).gjf (generated)

012104327.td-b3lyp_6-31+g(d).firefly.inp (generated)

012104327.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012104327.mol 012104327.PUBCHEM 012104327.mol (via Jmol)
012104335.b3lyp_6-31g(d).inp

012104335.b3lyp_6-31g(d).qchem.inp (generated)

012104335.b3lyp_6-31g(d).gjf (generated)

012104335.b3lyp_6-31g(d).firefly.inp (generated)

012104335.b3lyp_6-31g(d).smash.inp (generated)

012104335.b3lyp_6-31g(d).nwchem.inp (generated) 012104335.b3lyp_6-31g(d).log.xz 012104335.td-b3lyp_6-31g+(d).inp 012104335.td-b3lyp_6-31g+(d).log.xz

012104335.td-b3lyp_6-31+g(d).qchem.inp (generated)

012104335.td-b3lyp_6-31+g(d).gjf (generated)

012104335.td-b3lyp_6-31+g(d).firefly.inp (generated)

012104335.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012104335.mol 012104335.PUBCHEM 012104335.mol (via Jmol)
012104366.b3lyp_6-31g(d).inp

012104366.b3lyp_6-31g(d).qchem.inp (generated)

012104366.b3lyp_6-31g(d).gjf (generated)

012104366.b3lyp_6-31g(d).firefly.inp (generated)

012104366.b3lyp_6-31g(d).smash.inp (generated)

012104366.b3lyp_6-31g(d).nwchem.inp (generated) 012104366.b3lyp_6-31g(d).log.xz 012104366.td-b3lyp_6-31g+(d).inp 012104366.td-b3lyp_6-31g+(d).log.xz

012104366.td-b3lyp_6-31+g(d).qchem.inp (generated)

012104366.td-b3lyp_6-31+g(d).gjf (generated)

012104366.td-b3lyp_6-31+g(d).firefly.inp (generated)

012104366.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012104366.mol 012104366.PUBCHEM 012104366.mol (via Jmol)
012104393.b3lyp_6-31g(d).inp

012104393.b3lyp_6-31g(d).qchem.inp (generated)

012104393.b3lyp_6-31g(d).gjf (generated)

012104393.b3lyp_6-31g(d).firefly.inp (generated)

012104393.b3lyp_6-31g(d).smash.inp (generated)

012104393.b3lyp_6-31g(d).nwchem.inp (generated) 012104393.b3lyp_6-31g(d).log.xz 012104393.td-b3lyp_6-31g+(d).inp 012104393.td-b3lyp_6-31g+(d).log.xz

012104393.td-b3lyp_6-31+g(d).qchem.inp (generated)

012104393.td-b3lyp_6-31+g(d).gjf (generated)

012104393.td-b3lyp_6-31+g(d).firefly.inp (generated)

012104393.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012104393.mol 012104393.PUBCHEM 012104393.mol (via Jmol)
012104407.b3lyp_6-31g(d).inp

012104407.b3lyp_6-31g(d).qchem.inp (generated)

012104407.b3lyp_6-31g(d).gjf (generated)

012104407.b3lyp_6-31g(d).firefly.inp (generated)

012104407.b3lyp_6-31g(d).smash.inp (generated)

012104407.b3lyp_6-31g(d).nwchem.inp (generated) 012104407.b3lyp_6-31g(d).log.xz 012104407.td-b3lyp_6-31g+(d).inp 012104407.td-b3lyp_6-31g+(d).log.xz

012104407.td-b3lyp_6-31+g(d).qchem.inp (generated)

012104407.td-b3lyp_6-31+g(d).gjf (generated)

012104407.td-b3lyp_6-31+g(d).firefly.inp (generated)

012104407.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012104407.mol 012104407.PUBCHEM 012104407.mol (via Jmol)
012104419.b3lyp_6-31g(d).inp

012104419.b3lyp_6-31g(d).qchem.inp (generated)

012104419.b3lyp_6-31g(d).gjf (generated)

012104419.b3lyp_6-31g(d).firefly.inp (generated)

012104419.b3lyp_6-31g(d).smash.inp (generated)

012104419.b3lyp_6-31g(d).nwchem.inp (generated) 012104419.b3lyp_6-31g(d).log.xz 012104419.td-b3lyp_6-31g+(d).inp 012104419.td-b3lyp_6-31g+(d).log.xz

012104419.td-b3lyp_6-31+g(d).qchem.inp (generated)

012104419.td-b3lyp_6-31+g(d).gjf (generated)

012104419.td-b3lyp_6-31+g(d).firefly.inp (generated)

012104419.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012104419.mol 012104419.PUBCHEM 012104419.mol (via Jmol)
012104422.b3lyp_6-31g(d).inp

012104422.b3lyp_6-31g(d).qchem.inp (generated)

012104422.b3lyp_6-31g(d).gjf (generated)

012104422.b3lyp_6-31g(d).firefly.inp (generated)

012104422.b3lyp_6-31g(d).smash.inp (generated)

012104422.b3lyp_6-31g(d).nwchem.inp (generated) 012104422.b3lyp_6-31g(d).log.xz 012104422.td-b3lyp_6-31g+(d).inp 012104422.td-b3lyp_6-31g+(d).log.xz

012104422.td-b3lyp_6-31+g(d).qchem.inp (generated)

012104422.td-b3lyp_6-31+g(d).gjf (generated)

012104422.td-b3lyp_6-31+g(d).firefly.inp (generated)

012104422.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012104422.mol 012104422.PUBCHEM 012104422.mol (via Jmol)
012104423.b3lyp_6-31g(d).inp

012104423.b3lyp_6-31g(d).qchem.inp (generated)

012104423.b3lyp_6-31g(d).gjf (generated)

012104423.b3lyp_6-31g(d).firefly.inp (generated)

012104423.b3lyp_6-31g(d).smash.inp (generated)

012104423.b3lyp_6-31g(d).nwchem.inp (generated) 012104423.b3lyp_6-31g(d).log.xz 012104423.td-b3lyp_6-31g+(d).inp 012104423.td-b3lyp_6-31g+(d).log.xz

012104423.td-b3lyp_6-31+g(d).qchem.inp (generated)

012104423.td-b3lyp_6-31+g(d).gjf (generated)

012104423.td-b3lyp_6-31+g(d).firefly.inp (generated)

012104423.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012104423.mol 012104423.PUBCHEM 012104423.mol (via Jmol)
012104424.b3lyp_6-31g(d).inp

012104424.b3lyp_6-31g(d).qchem.inp (generated)

012104424.b3lyp_6-31g(d).gjf (generated)

012104424.b3lyp_6-31g(d).firefly.inp (generated)

012104424.b3lyp_6-31g(d).smash.inp (generated)

012104424.b3lyp_6-31g(d).nwchem.inp (generated) 012104424.b3lyp_6-31g(d).log.xz 012104424.td-b3lyp_6-31g+(d).inp 012104424.td-b3lyp_6-31g+(d).log.xz

012104424.td-b3lyp_6-31+g(d).qchem.inp (generated)

012104424.td-b3lyp_6-31+g(d).gjf (generated)

012104424.td-b3lyp_6-31+g(d).firefly.inp (generated)

012104424.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012104424.mol 012104424.PUBCHEM 012104424.mol (via Jmol)
012104425.b3lyp_6-31g(d).inp

012104425.b3lyp_6-31g(d).qchem.inp (generated)

012104425.b3lyp_6-31g(d).gjf (generated)

012104425.b3lyp_6-31g(d).firefly.inp (generated)

012104425.b3lyp_6-31g(d).smash.inp (generated)

012104425.b3lyp_6-31g(d).nwchem.inp (generated) 012104425.b3lyp_6-31g(d).log.xz 012104425.td-b3lyp_6-31g+(d).inp 012104425.td-b3lyp_6-31g+(d).log.xz

012104425.td-b3lyp_6-31+g(d).qchem.inp (generated)

012104425.td-b3lyp_6-31+g(d).gjf (generated)

012104425.td-b3lyp_6-31+g(d).firefly.inp (generated)

012104425.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012104425.mol 012104425.PUBCHEM 012104425.mol (via Jmol)
012104426.b3lyp_6-31g(d).inp

012104426.b3lyp_6-31g(d).qchem.inp (generated)

012104426.b3lyp_6-31g(d).gjf (generated)

012104426.b3lyp_6-31g(d).firefly.inp (generated)

012104426.b3lyp_6-31g(d).smash.inp (generated)

012104426.b3lyp_6-31g(d).nwchem.inp (generated) 012104426.b3lyp_6-31g(d).log.xz 012104426.td-b3lyp_6-31g+(d).inp 012104426.td-b3lyp_6-31g+(d).log.xz

012104426.td-b3lyp_6-31+g(d).qchem.inp (generated)

012104426.td-b3lyp_6-31+g(d).gjf (generated)

012104426.td-b3lyp_6-31+g(d).firefly.inp (generated)

012104426.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012104426.mol 012104426.PUBCHEM 012104426.mol (via Jmol)
012104449.b3lyp_6-31g(d).inp

012104449.b3lyp_6-31g(d).qchem.inp (generated)

012104449.b3lyp_6-31g(d).gjf (generated)

012104449.b3lyp_6-31g(d).firefly.inp (generated)

012104449.b3lyp_6-31g(d).smash.inp (generated)

012104449.b3lyp_6-31g(d).nwchem.inp (generated) 012104449.b3lyp_6-31g(d).log.xz 012104449.td-b3lyp_6-31g+(d).inp 012104449.td-b3lyp_6-31g+(d).log.xz

012104449.td-b3lyp_6-31+g(d).qchem.inp (generated)

012104449.td-b3lyp_6-31+g(d).gjf (generated)

012104449.td-b3lyp_6-31+g(d).firefly.inp (generated)

012104449.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012104449.mol 012104449.PUBCHEM 012104449.mol (via Jmol)
012104459.b3lyp_6-31g(d).inp

012104459.b3lyp_6-31g(d).qchem.inp (generated)

012104459.b3lyp_6-31g(d).gjf (generated)

012104459.b3lyp_6-31g(d).firefly.inp (generated)

012104459.b3lyp_6-31g(d).smash.inp (generated)

012104459.b3lyp_6-31g(d).nwchem.inp (generated) 012104459.b3lyp_6-31g(d).log.xz 012104459.td-b3lyp_6-31g+(d).inp 012104459.td-b3lyp_6-31g+(d).log.xz

012104459.td-b3lyp_6-31+g(d).qchem.inp (generated)

012104459.td-b3lyp_6-31+g(d).gjf (generated)

012104459.td-b3lyp_6-31+g(d).firefly.inp (generated)

012104459.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012104459.mol 012104459.PUBCHEM 012104459.mol (via Jmol)
012104473.b3lyp_6-31g(d).inp

012104473.b3lyp_6-31g(d).qchem.inp (generated)

012104473.b3lyp_6-31g(d).gjf (generated)

012104473.b3lyp_6-31g(d).firefly.inp (generated)

012104473.b3lyp_6-31g(d).smash.inp (generated)

012104473.b3lyp_6-31g(d).nwchem.inp (generated) 012104473.b3lyp_6-31g(d).log.xz 012104473.td-b3lyp_6-31g+(d).inp 012104473.td-b3lyp_6-31g+(d).log.xz

012104473.td-b3lyp_6-31+g(d).qchem.inp (generated)

012104473.td-b3lyp_6-31+g(d).gjf (generated)

012104473.td-b3lyp_6-31+g(d).firefly.inp (generated)

012104473.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012104473.mol 012104473.PUBCHEM 012104473.mol (via Jmol)
012104515.b3lyp_6-31g(d).inp

012104515.b3lyp_6-31g(d).qchem.inp (generated)

012104515.b3lyp_6-31g(d).gjf (generated)

012104515.b3lyp_6-31g(d).firefly.inp (generated)

012104515.b3lyp_6-31g(d).smash.inp (generated)

012104515.b3lyp_6-31g(d).nwchem.inp (generated) 012104515.b3lyp_6-31g(d).log.xz 012104515.td-b3lyp_6-31g+(d).inp 012104515.td-b3lyp_6-31g+(d).log.xz

012104515.td-b3lyp_6-31+g(d).qchem.inp (generated)

012104515.td-b3lyp_6-31+g(d).gjf (generated)

012104515.td-b3lyp_6-31+g(d).firefly.inp (generated)

012104515.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012104515.mol 012104515.PUBCHEM 012104515.mol (via Jmol)
012104539.b3lyp_6-31g(d).inp

012104539.b3lyp_6-31g(d).qchem.inp (generated)

012104539.b3lyp_6-31g(d).gjf (generated)

012104539.b3lyp_6-31g(d).firefly.inp (generated)

012104539.b3lyp_6-31g(d).smash.inp (generated)

012104539.b3lyp_6-31g(d).nwchem.inp (generated) 012104539.b3lyp_6-31g(d).log.xz 012104539.td-b3lyp_6-31g+(d).inp 012104539.td-b3lyp_6-31g+(d).log.xz

012104539.td-b3lyp_6-31+g(d).qchem.inp (generated)

012104539.td-b3lyp_6-31+g(d).gjf (generated)

012104539.td-b3lyp_6-31+g(d).firefly.inp (generated)

012104539.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012104539.mol 012104539.PUBCHEM 012104539.mol (via Jmol)
012104546.b3lyp_6-31g(d).inp

012104546.b3lyp_6-31g(d).qchem.inp (generated)

012104546.b3lyp_6-31g(d).gjf (generated)

012104546.b3lyp_6-31g(d).firefly.inp (generated)

012104546.b3lyp_6-31g(d).smash.inp (generated)

012104546.b3lyp_6-31g(d).nwchem.inp (generated) 012104546.b3lyp_6-31g(d).log.xz 012104546.td-b3lyp_6-31g+(d).inp 012104546.td-b3lyp_6-31g+(d).log.xz

012104546.td-b3lyp_6-31+g(d).qchem.inp (generated)

012104546.td-b3lyp_6-31+g(d).gjf (generated)

012104546.td-b3lyp_6-31+g(d).firefly.inp (generated)

012104546.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012104546.mol 012104546.PUBCHEM 012104546.mol (via Jmol)
012104550.b3lyp_6-31g(d).inp

012104550.b3lyp_6-31g(d).qchem.inp (generated)

012104550.b3lyp_6-31g(d).gjf (generated)

012104550.b3lyp_6-31g(d).firefly.inp (generated)

012104550.b3lyp_6-31g(d).smash.inp (generated)

012104550.b3lyp_6-31g(d).nwchem.inp (generated) 012104550.b3lyp_6-31g(d).log.xz 012104550.td-b3lyp_6-31g+(d).inp 012104550.td-b3lyp_6-31g+(d).log.xz

012104550.td-b3lyp_6-31+g(d).qchem.inp (generated)

012104550.td-b3lyp_6-31+g(d).gjf (generated)

012104550.td-b3lyp_6-31+g(d).firefly.inp (generated)

012104550.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012104550.mol 012104550.PUBCHEM 012104550.mol (via Jmol)
012104557.b3lyp_6-31g(d).inp

012104557.b3lyp_6-31g(d).qchem.inp (generated)

012104557.b3lyp_6-31g(d).gjf (generated)

012104557.b3lyp_6-31g(d).firefly.inp (generated)

012104557.b3lyp_6-31g(d).smash.inp (generated)

012104557.b3lyp_6-31g(d).nwchem.inp (generated) 012104557.b3lyp_6-31g(d).log.xz 012104557.td-b3lyp_6-31g+(d).inp 012104557.td-b3lyp_6-31g+(d).log.xz

012104557.td-b3lyp_6-31+g(d).qchem.inp (generated)

012104557.td-b3lyp_6-31+g(d).gjf (generated)

012104557.td-b3lyp_6-31+g(d).firefly.inp (generated)

012104557.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012104557.mol 012104557.PUBCHEM 012104557.mol (via Jmol)
012104558.b3lyp_6-31g(d).inp

012104558.b3lyp_6-31g(d).qchem.inp (generated)

012104558.b3lyp_6-31g(d).gjf (generated)

012104558.b3lyp_6-31g(d).firefly.inp (generated)

012104558.b3lyp_6-31g(d).smash.inp (generated)

012104558.b3lyp_6-31g(d).nwchem.inp (generated) 012104558.b3lyp_6-31g(d).log.xz 012104558.td-b3lyp_6-31g+(d).inp 012104558.td-b3lyp_6-31g+(d).log.xz

012104558.td-b3lyp_6-31+g(d).qchem.inp (generated)

012104558.td-b3lyp_6-31+g(d).gjf (generated)

012104558.td-b3lyp_6-31+g(d).firefly.inp (generated)

012104558.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012104558.mol 012104558.PUBCHEM 012104558.mol (via Jmol)
012104579.b3lyp_6-31g(d).inp

012104579.b3lyp_6-31g(d).qchem.inp (generated)

012104579.b3lyp_6-31g(d).gjf (generated)

012104579.b3lyp_6-31g(d).firefly.inp (generated)

012104579.b3lyp_6-31g(d).smash.inp (generated)

012104579.b3lyp_6-31g(d).nwchem.inp (generated) 012104579.b3lyp_6-31g(d).log.xz 012104579.mol 012104579.PUBCHEM 012104579.mol (via Jmol)
012104589.b3lyp_6-31g(d).inp

012104589.b3lyp_6-31g(d).qchem.inp (generated)

012104589.b3lyp_6-31g(d).gjf (generated)

012104589.b3lyp_6-31g(d).firefly.inp (generated)

012104589.b3lyp_6-31g(d).smash.inp (generated)

012104589.b3lyp_6-31g(d).nwchem.inp (generated) 012104589.b3lyp_6-31g(d).log.xz 012104589.td-b3lyp_6-31g+(d).inp 012104589.td-b3lyp_6-31g+(d).log.xz

012104589.td-b3lyp_6-31+g(d).qchem.inp (generated)

012104589.td-b3lyp_6-31+g(d).gjf (generated)

012104589.td-b3lyp_6-31+g(d).firefly.inp (generated)

012104589.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012104589.mol 012104589.PUBCHEM 012104589.mol (via Jmol)
012104591.b3lyp_6-31g(d).inp

012104591.b3lyp_6-31g(d).qchem.inp (generated)

012104591.b3lyp_6-31g(d).gjf (generated)

012104591.b3lyp_6-31g(d).firefly.inp (generated)

012104591.b3lyp_6-31g(d).smash.inp (generated)

012104591.b3lyp_6-31g(d).nwchem.inp (generated) 012104591.b3lyp_6-31g(d).log.xz 012104591.td-b3lyp_6-31g+(d).inp 012104591.td-b3lyp_6-31g+(d).log.xz

012104591.td-b3lyp_6-31+g(d).qchem.inp (generated)

012104591.td-b3lyp_6-31+g(d).gjf (generated)

012104591.td-b3lyp_6-31+g(d).firefly.inp (generated)

012104591.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012104591.mol 012104591.PUBCHEM 012104591.mol (via Jmol)
012104594.b3lyp_6-31g(d).inp

012104594.b3lyp_6-31g(d).qchem.inp (generated)

012104594.b3lyp_6-31g(d).gjf (generated)

012104594.b3lyp_6-31g(d).firefly.inp (generated)

012104594.b3lyp_6-31g(d).smash.inp (generated)

012104594.b3lyp_6-31g(d).nwchem.inp (generated) 012104594.b3lyp_6-31g(d).log.xz 012104594.td-b3lyp_6-31g+(d).inp 012104594.td-b3lyp_6-31g+(d).log.xz

012104594.td-b3lyp_6-31+g(d).qchem.inp (generated)

012104594.td-b3lyp_6-31+g(d).gjf (generated)

012104594.td-b3lyp_6-31+g(d).firefly.inp (generated)

012104594.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012104594.mol 012104594.PUBCHEM 012104594.mol (via Jmol)
012104633.b3lyp_6-31g(d).inp

012104633.b3lyp_6-31g(d).qchem.inp (generated)

012104633.b3lyp_6-31g(d).gjf (generated)

012104633.b3lyp_6-31g(d).firefly.inp (generated)

012104633.b3lyp_6-31g(d).smash.inp (generated)

012104633.b3lyp_6-31g(d).nwchem.inp (generated) 012104633.b3lyp_6-31g(d).log.xz 012104633.mol 012104633.PUBCHEM 012104633.mol (via Jmol)
012104674.b3lyp_6-31g(d).inp

012104674.b3lyp_6-31g(d).qchem.inp (generated)

012104674.b3lyp_6-31g(d).gjf (generated)

012104674.b3lyp_6-31g(d).firefly.inp (generated)

012104674.b3lyp_6-31g(d).smash.inp (generated)

012104674.b3lyp_6-31g(d).nwchem.inp (generated) 012104674.b3lyp_6-31g(d).log.xz 012104674.td-b3lyp_6-31g+(d).inp 012104674.td-b3lyp_6-31g+(d).log.xz

012104674.td-b3lyp_6-31+g(d).qchem.inp (generated)

012104674.td-b3lyp_6-31+g(d).gjf (generated)

012104674.td-b3lyp_6-31+g(d).firefly.inp (generated)

012104674.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012104674.mol 012104674.PUBCHEM 012104674.mol (via Jmol)
012104675.b3lyp_6-31g(d).inp

012104675.b3lyp_6-31g(d).qchem.inp (generated)

012104675.b3lyp_6-31g(d).gjf (generated)

012104675.b3lyp_6-31g(d).firefly.inp (generated)

012104675.b3lyp_6-31g(d).smash.inp (generated)

012104675.b3lyp_6-31g(d).nwchem.inp (generated) 012104675.b3lyp_6-31g(d).log.xz 012104675.td-b3lyp_6-31g+(d).inp 012104675.td-b3lyp_6-31g+(d).log.xz

012104675.td-b3lyp_6-31+g(d).qchem.inp (generated)

012104675.td-b3lyp_6-31+g(d).gjf (generated)

012104675.td-b3lyp_6-31+g(d).firefly.inp (generated)

012104675.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012104675.mol 012104675.PUBCHEM 012104675.mol (via Jmol)
012104723.b3lyp_6-31g(d).inp

012104723.b3lyp_6-31g(d).qchem.inp (generated)

012104723.b3lyp_6-31g(d).gjf (generated)

012104723.b3lyp_6-31g(d).firefly.inp (generated)

012104723.b3lyp_6-31g(d).smash.inp (generated)

012104723.b3lyp_6-31g(d).nwchem.inp (generated) 012104723.b3lyp_6-31g(d).log.xz 012104723.td-b3lyp_6-31g+(d).inp 012104723.td-b3lyp_6-31g+(d).log.xz

012104723.td-b3lyp_6-31+g(d).qchem.inp (generated)

012104723.td-b3lyp_6-31+g(d).gjf (generated)

012104723.td-b3lyp_6-31+g(d).firefly.inp (generated)

012104723.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012104723.mol 012104723.PUBCHEM 012104723.mol (via Jmol)
012104826.b3lyp_6-31g(d).inp

012104826.b3lyp_6-31g(d).qchem.inp (generated)

012104826.b3lyp_6-31g(d).gjf (generated)

012104826.b3lyp_6-31g(d).firefly.inp (generated)

012104826.b3lyp_6-31g(d).smash.inp (generated)

012104826.b3lyp_6-31g(d).nwchem.inp (generated) 012104826.b3lyp_6-31g(d).log.xz 012104826.td-b3lyp_6-31g+(d).inp 012104826.td-b3lyp_6-31g+(d).log.xz

012104826.td-b3lyp_6-31+g(d).qchem.inp (generated)

012104826.td-b3lyp_6-31+g(d).gjf (generated)

012104826.td-b3lyp_6-31+g(d).firefly.inp (generated)

012104826.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012104826.mol 012104826.PUBCHEM 012104826.mol (via Jmol)
012104838.b3lyp_6-31g(d).inp

012104838.b3lyp_6-31g(d).qchem.inp (generated)

012104838.b3lyp_6-31g(d).gjf (generated)

012104838.b3lyp_6-31g(d).firefly.inp (generated)

012104838.b3lyp_6-31g(d).smash.inp (generated)

012104838.b3lyp_6-31g(d).nwchem.inp (generated) 012104838.b3lyp_6-31g(d).log.xz 012104838.mol 012104838.PUBCHEM 012104838.mol (via Jmol)
012104842.b3lyp_6-31g(d).inp

012104842.b3lyp_6-31g(d).qchem.inp (generated)

012104842.b3lyp_6-31g(d).gjf (generated)

012104842.b3lyp_6-31g(d).firefly.inp (generated)

012104842.b3lyp_6-31g(d).smash.inp (generated)

012104842.b3lyp_6-31g(d).nwchem.inp (generated) 012104842.b3lyp_6-31g(d).log.xz 012104842.mol 012104842.PUBCHEM 012104842.mol (via Jmol)
012104876.b3lyp_6-31g(d).inp

012104876.b3lyp_6-31g(d).qchem.inp (generated)

012104876.b3lyp_6-31g(d).gjf (generated)

012104876.b3lyp_6-31g(d).firefly.inp (generated)

012104876.b3lyp_6-31g(d).smash.inp (generated)

012104876.b3lyp_6-31g(d).nwchem.inp (generated) 012104876.b3lyp_6-31g(d).log.xz 012104876.td-b3lyp_6-31g+(d).inp 012104876.td-b3lyp_6-31g+(d).log.xz

012104876.td-b3lyp_6-31+g(d).qchem.inp (generated)

012104876.td-b3lyp_6-31+g(d).gjf (generated)

012104876.td-b3lyp_6-31+g(d).firefly.inp (generated)

012104876.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012104876.mol 012104876.PUBCHEM 012104876.mol (via Jmol)
012104919.b3lyp_6-31g(d).inp

012104919.b3lyp_6-31g(d).qchem.inp (generated)

012104919.b3lyp_6-31g(d).gjf (generated)

012104919.b3lyp_6-31g(d).firefly.inp (generated)

012104919.b3lyp_6-31g(d).smash.inp (generated)

012104919.b3lyp_6-31g(d).nwchem.inp (generated) 012104919.b3lyp_6-31g(d).log.xz 012104919.td-b3lyp_6-31g+(d).inp 012104919.td-b3lyp_6-31g+(d).log.xz

012104919.td-b3lyp_6-31+g(d).qchem.inp (generated)

012104919.td-b3lyp_6-31+g(d).gjf (generated)

012104919.td-b3lyp_6-31+g(d).firefly.inp (generated)

012104919.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012104919.mol 012104919.PUBCHEM 012104919.mol (via Jmol)
012104920.b3lyp_6-31g(d).inp

012104920.b3lyp_6-31g(d).qchem.inp (generated)

012104920.b3lyp_6-31g(d).gjf (generated)

012104920.b3lyp_6-31g(d).firefly.inp (generated)

012104920.b3lyp_6-31g(d).smash.inp (generated)

012104920.b3lyp_6-31g(d).nwchem.inp (generated) 012104920.b3lyp_6-31g(d).log.xz 012104920.td-b3lyp_6-31g+(d).inp 012104920.td-b3lyp_6-31g+(d).log.xz

012104920.td-b3lyp_6-31+g(d).qchem.inp (generated)

012104920.td-b3lyp_6-31+g(d).gjf (generated)

012104920.td-b3lyp_6-31+g(d).firefly.inp (generated)

012104920.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012104920.mol 012104920.PUBCHEM 012104920.mol (via Jmol)
012104931.b3lyp_6-31g(d).inp

012104931.b3lyp_6-31g(d).qchem.inp (generated)

012104931.b3lyp_6-31g(d).gjf (generated)

012104931.b3lyp_6-31g(d).firefly.inp (generated)

012104931.b3lyp_6-31g(d).smash.inp (generated)

012104931.b3lyp_6-31g(d).nwchem.inp (generated) 012104931.b3lyp_6-31g(d).log.xz 012104931.td-b3lyp_6-31g+(d).inp 012104931.td-b3lyp_6-31g+(d).log.xz

012104931.td-b3lyp_6-31+g(d).qchem.inp (generated)

012104931.td-b3lyp_6-31+g(d).gjf (generated)

012104931.td-b3lyp_6-31+g(d).firefly.inp (generated)

012104931.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012104931.mol 012104931.PUBCHEM 012104931.mol (via Jmol)
012104958.b3lyp_6-31g(d).inp

012104958.b3lyp_6-31g(d).qchem.inp (generated)

012104958.b3lyp_6-31g(d).gjf (generated)

012104958.b3lyp_6-31g(d).firefly.inp (generated)

012104958.b3lyp_6-31g(d).smash.inp (generated)

012104958.b3lyp_6-31g(d).nwchem.inp (generated) 012104958.b3lyp_6-31g(d).log.xz 012104958.td-b3lyp_6-31g+(d).inp 012104958.td-b3lyp_6-31g+(d).log.xz

012104958.td-b3lyp_6-31+g(d).qchem.inp (generated)

012104958.td-b3lyp_6-31+g(d).gjf (generated)

012104958.td-b3lyp_6-31+g(d).firefly.inp (generated)

012104958.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012104958.mol 012104958.PUBCHEM 012104958.mol (via Jmol)
012105092.b3lyp_6-31g(d).inp

012105092.b3lyp_6-31g(d).qchem.inp (generated)

012105092.b3lyp_6-31g(d).gjf (generated)

012105092.b3lyp_6-31g(d).firefly.inp (generated)

012105092.b3lyp_6-31g(d).smash.inp (generated)

012105092.b3lyp_6-31g(d).nwchem.inp (generated) 012105092.b3lyp_6-31g(d).log.xz 012105092.td-b3lyp_6-31g+(d).inp 012105092.td-b3lyp_6-31g+(d).log.xz

012105092.td-b3lyp_6-31+g(d).qchem.inp (generated)

012105092.td-b3lyp_6-31+g(d).gjf (generated)

012105092.td-b3lyp_6-31+g(d).firefly.inp (generated)

012105092.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012105092.mol 012105092.PUBCHEM 012105092.mol (via Jmol)
012105111.b3lyp_6-31g(d).inp

012105111.b3lyp_6-31g(d).qchem.inp (generated)

012105111.b3lyp_6-31g(d).gjf (generated)

012105111.b3lyp_6-31g(d).firefly.inp (generated)

012105111.b3lyp_6-31g(d).smash.inp (generated)

012105111.b3lyp_6-31g(d).nwchem.inp (generated) 012105111.b3lyp_6-31g(d).log.xz 012105111.td-b3lyp_6-31g+(d).inp 012105111.td-b3lyp_6-31g+(d).log.xz

012105111.td-b3lyp_6-31+g(d).qchem.inp (generated)

012105111.td-b3lyp_6-31+g(d).gjf (generated)

012105111.td-b3lyp_6-31+g(d).firefly.inp (generated)

012105111.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012105111.mol 012105111.PUBCHEM 012105111.mol (via Jmol)
012105126.b3lyp_6-31g(d).inp

012105126.b3lyp_6-31g(d).qchem.inp (generated)

012105126.b3lyp_6-31g(d).gjf (generated)

012105126.b3lyp_6-31g(d).firefly.inp (generated)

012105126.b3lyp_6-31g(d).smash.inp (generated)

012105126.b3lyp_6-31g(d).nwchem.inp (generated) 012105126.b3lyp_6-31g(d).log.xz 012105126.td-b3lyp_6-31g+(d).inp 012105126.td-b3lyp_6-31g+(d).log.xz

012105126.td-b3lyp_6-31+g(d).qchem.inp (generated)

012105126.td-b3lyp_6-31+g(d).gjf (generated)

012105126.td-b3lyp_6-31+g(d).firefly.inp (generated)

012105126.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012105126.mol 012105126.PUBCHEM 012105126.mol (via Jmol)
012105128.b3lyp_6-31g(d).inp

012105128.b3lyp_6-31g(d).qchem.inp (generated)

012105128.b3lyp_6-31g(d).gjf (generated)

012105128.b3lyp_6-31g(d).firefly.inp (generated)

012105128.b3lyp_6-31g(d).smash.inp (generated)

012105128.b3lyp_6-31g(d).nwchem.inp (generated) 012105128.b3lyp_6-31g(d).log.xz 012105128.td-b3lyp_6-31g+(d).inp 012105128.td-b3lyp_6-31g+(d).log.xz

012105128.td-b3lyp_6-31+g(d).qchem.inp (generated)

012105128.td-b3lyp_6-31+g(d).gjf (generated)

012105128.td-b3lyp_6-31+g(d).firefly.inp (generated)

012105128.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012105128.mol 012105128.PUBCHEM 012105128.mol (via Jmol)
012105130.b3lyp_6-31g(d).inp

012105130.b3lyp_6-31g(d).qchem.inp (generated)

012105130.b3lyp_6-31g(d).gjf (generated)

012105130.b3lyp_6-31g(d).firefly.inp (generated)

012105130.b3lyp_6-31g(d).smash.inp (generated)

012105130.b3lyp_6-31g(d).nwchem.inp (generated) 012105130.b3lyp_6-31g(d).log.xz 012105130.mol 012105130.PUBCHEM 012105130.mol (via Jmol)
012105135.b3lyp_6-31g(d).inp

012105135.b3lyp_6-31g(d).qchem.inp (generated)

012105135.b3lyp_6-31g(d).gjf (generated)

012105135.b3lyp_6-31g(d).firefly.inp (generated)

012105135.b3lyp_6-31g(d).smash.inp (generated)

012105135.b3lyp_6-31g(d).nwchem.inp (generated) 012105135.b3lyp_6-31g(d).log.xz 012105135.td-b3lyp_6-31g+(d).inp 012105135.td-b3lyp_6-31g+(d).log.xz

012105135.td-b3lyp_6-31+g(d).qchem.inp (generated)

012105135.td-b3lyp_6-31+g(d).gjf (generated)

012105135.td-b3lyp_6-31+g(d).firefly.inp (generated)

012105135.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012105135.mol 012105135.PUBCHEM 012105135.mol (via Jmol)
012105136.b3lyp_6-31g(d).inp

012105136.b3lyp_6-31g(d).qchem.inp (generated)

012105136.b3lyp_6-31g(d).gjf (generated)

012105136.b3lyp_6-31g(d).firefly.inp (generated)

012105136.b3lyp_6-31g(d).smash.inp (generated)

012105136.b3lyp_6-31g(d).nwchem.inp (generated) 012105136.b3lyp_6-31g(d).log.xz 012105136.td-b3lyp_6-31g+(d).inp 012105136.td-b3lyp_6-31g+(d).log.xz

012105136.td-b3lyp_6-31+g(d).qchem.inp (generated)

012105136.td-b3lyp_6-31+g(d).gjf (generated)

012105136.td-b3lyp_6-31+g(d).firefly.inp (generated)

012105136.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012105136.mol 012105136.PUBCHEM 012105136.mol (via Jmol)
012105142.b3lyp_6-31g(d).inp

012105142.b3lyp_6-31g(d).qchem.inp (generated)

012105142.b3lyp_6-31g(d).gjf (generated)

012105142.b3lyp_6-31g(d).firefly.inp (generated)

012105142.b3lyp_6-31g(d).smash.inp (generated)

012105142.b3lyp_6-31g(d).nwchem.inp (generated) 012105142.b3lyp_6-31g(d).log.xz 012105142.td-b3lyp_6-31g+(d).inp 012105142.td-b3lyp_6-31g+(d).log.xz

012105142.td-b3lyp_6-31+g(d).qchem.inp (generated)

012105142.td-b3lyp_6-31+g(d).gjf (generated)

012105142.td-b3lyp_6-31+g(d).firefly.inp (generated)

012105142.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012105142.mol 012105142.PUBCHEM 012105142.mol (via Jmol)
012105144.b3lyp_6-31g(d).inp

012105144.b3lyp_6-31g(d).qchem.inp (generated)

012105144.b3lyp_6-31g(d).gjf (generated)

012105144.b3lyp_6-31g(d).firefly.inp (generated)

012105144.b3lyp_6-31g(d).smash.inp (generated)

012105144.b3lyp_6-31g(d).nwchem.inp (generated) 012105144.b3lyp_6-31g(d).log.xz 012105144.td-b3lyp_6-31g+(d).inp 012105144.td-b3lyp_6-31g+(d).log.xz

012105144.td-b3lyp_6-31+g(d).qchem.inp (generated)

012105144.td-b3lyp_6-31+g(d).gjf (generated)

012105144.td-b3lyp_6-31+g(d).firefly.inp (generated)

012105144.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012105144.mol 012105144.PUBCHEM 012105144.mol (via Jmol)
012105151.b3lyp_6-31g(d).inp

012105151.b3lyp_6-31g(d).qchem.inp (generated)

012105151.b3lyp_6-31g(d).gjf (generated)

012105151.b3lyp_6-31g(d).firefly.inp (generated)

012105151.b3lyp_6-31g(d).smash.inp (generated)

012105151.b3lyp_6-31g(d).nwchem.inp (generated) 012105151.b3lyp_6-31g(d).log.xz 012105151.td-b3lyp_6-31g+(d).inp 012105151.td-b3lyp_6-31g+(d).log.xz

012105151.td-b3lyp_6-31+g(d).qchem.inp (generated)

012105151.td-b3lyp_6-31+g(d).gjf (generated)

012105151.td-b3lyp_6-31+g(d).firefly.inp (generated)

012105151.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012105151.mol 012105151.PUBCHEM 012105151.mol (via Jmol)
012105153.b3lyp_6-31g(d).inp

012105153.b3lyp_6-31g(d).qchem.inp (generated)

012105153.b3lyp_6-31g(d).gjf (generated)

012105153.b3lyp_6-31g(d).firefly.inp (generated)

012105153.b3lyp_6-31g(d).smash.inp (generated)

012105153.b3lyp_6-31g(d).nwchem.inp (generated) 012105153.b3lyp_6-31g(d).log.xz 012105153.td-b3lyp_6-31g+(d).inp 012105153.td-b3lyp_6-31g+(d).log.xz

012105153.td-b3lyp_6-31+g(d).qchem.inp (generated)

012105153.td-b3lyp_6-31+g(d).gjf (generated)

012105153.td-b3lyp_6-31+g(d).firefly.inp (generated)

012105153.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012105153.mol 012105153.PUBCHEM 012105153.mol (via Jmol)
012105180.b3lyp_6-31g(d).inp

012105180.b3lyp_6-31g(d).qchem.inp (generated)

012105180.b3lyp_6-31g(d).gjf (generated)

012105180.b3lyp_6-31g(d).firefly.inp (generated)

012105180.b3lyp_6-31g(d).smash.inp (generated)

012105180.b3lyp_6-31g(d).nwchem.inp (generated) 012105180.b3lyp_6-31g(d).log.xz 012105180.td-b3lyp_6-31g+(d).inp 012105180.td-b3lyp_6-31g+(d).log.xz

012105180.td-b3lyp_6-31+g(d).qchem.inp (generated)

012105180.td-b3lyp_6-31+g(d).gjf (generated)

012105180.td-b3lyp_6-31+g(d).firefly.inp (generated)

012105180.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012105180.mol 012105180.PUBCHEM 012105180.mol (via Jmol)
012105276.b3lyp_6-31g(d).inp

012105276.b3lyp_6-31g(d).qchem.inp (generated)

012105276.b3lyp_6-31g(d).gjf (generated)

012105276.b3lyp_6-31g(d).firefly.inp (generated)

012105276.b3lyp_6-31g(d).smash.inp (generated)

012105276.b3lyp_6-31g(d).nwchem.inp (generated) 012105276.b3lyp_6-31g(d).log.xz 012105276.td-b3lyp_6-31g+(d).inp 012105276.td-b3lyp_6-31g+(d).log.xz

012105276.td-b3lyp_6-31+g(d).qchem.inp (generated)

012105276.td-b3lyp_6-31+g(d).gjf (generated)

012105276.td-b3lyp_6-31+g(d).firefly.inp (generated)

012105276.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012105276.mol 012105276.PUBCHEM 012105276.mol (via Jmol)
012105278.b3lyp_6-31g(d).inp

012105278.b3lyp_6-31g(d).qchem.inp (generated)

012105278.b3lyp_6-31g(d).gjf (generated)

012105278.b3lyp_6-31g(d).firefly.inp (generated)

012105278.b3lyp_6-31g(d).smash.inp (generated)

012105278.b3lyp_6-31g(d).nwchem.inp (generated) 012105278.b3lyp_6-31g(d).log.xz 012105278.td-b3lyp_6-31g+(d).inp 012105278.td-b3lyp_6-31g+(d).log.xz

012105278.td-b3lyp_6-31+g(d).qchem.inp (generated)

012105278.td-b3lyp_6-31+g(d).gjf (generated)

012105278.td-b3lyp_6-31+g(d).firefly.inp (generated)

012105278.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012105278.mol 012105278.PUBCHEM 012105278.mol (via Jmol)
012105286.b3lyp_6-31g(d).inp

012105286.b3lyp_6-31g(d).qchem.inp (generated)

012105286.b3lyp_6-31g(d).gjf (generated)

012105286.b3lyp_6-31g(d).firefly.inp (generated)

012105286.b3lyp_6-31g(d).smash.inp (generated)

012105286.b3lyp_6-31g(d).nwchem.inp (generated) 012105286.b3lyp_6-31g(d).log.xz 012105286.td-b3lyp_6-31g+(d).inp 012105286.td-b3lyp_6-31g+(d).log.xz

012105286.td-b3lyp_6-31+g(d).qchem.inp (generated)

012105286.td-b3lyp_6-31+g(d).gjf (generated)

012105286.td-b3lyp_6-31+g(d).firefly.inp (generated)

012105286.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012105286.mol 012105286.PUBCHEM 012105286.mol (via Jmol)
012105287.b3lyp_6-31g(d).inp

012105287.b3lyp_6-31g(d).qchem.inp (generated)

012105287.b3lyp_6-31g(d).gjf (generated)

012105287.b3lyp_6-31g(d).firefly.inp (generated)

012105287.b3lyp_6-31g(d).smash.inp (generated)

012105287.b3lyp_6-31g(d).nwchem.inp (generated) 012105287.b3lyp_6-31g(d).log.xz 012105287.td-b3lyp_6-31g+(d).inp 012105287.td-b3lyp_6-31g+(d).log.xz

012105287.td-b3lyp_6-31+g(d).qchem.inp (generated)

012105287.td-b3lyp_6-31+g(d).gjf (generated)

012105287.td-b3lyp_6-31+g(d).firefly.inp (generated)

012105287.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012105287.mol 012105287.PUBCHEM 012105287.mol (via Jmol)
012105329.b3lyp_6-31g(d).inp

012105329.b3lyp_6-31g(d).qchem.inp (generated)

012105329.b3lyp_6-31g(d).gjf (generated)

012105329.b3lyp_6-31g(d).firefly.inp (generated)

012105329.b3lyp_6-31g(d).smash.inp (generated)

012105329.b3lyp_6-31g(d).nwchem.inp (generated) 012105329.b3lyp_6-31g(d).log.xz 012105329.td-b3lyp_6-31g+(d).inp 012105329.td-b3lyp_6-31g+(d).log.xz

012105329.td-b3lyp_6-31+g(d).qchem.inp (generated)

012105329.td-b3lyp_6-31+g(d).gjf (generated)

012105329.td-b3lyp_6-31+g(d).firefly.inp (generated)

012105329.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012105329.mol 012105329.PUBCHEM 012105329.mol (via Jmol)
012105331.b3lyp_6-31g(d).inp

012105331.b3lyp_6-31g(d).qchem.inp (generated)

012105331.b3lyp_6-31g(d).gjf (generated)

012105331.b3lyp_6-31g(d).firefly.inp (generated)

012105331.b3lyp_6-31g(d).smash.inp (generated)

012105331.b3lyp_6-31g(d).nwchem.inp (generated) 012105331.b3lyp_6-31g(d).log.xz 012105331.td-b3lyp_6-31g+(d).inp 012105331.td-b3lyp_6-31g+(d).log.xz

012105331.td-b3lyp_6-31+g(d).qchem.inp (generated)

012105331.td-b3lyp_6-31+g(d).gjf (generated)

012105331.td-b3lyp_6-31+g(d).firefly.inp (generated)

012105331.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012105331.mol 012105331.PUBCHEM 012105331.mol (via Jmol)
012105472.b3lyp_6-31g(d).inp

012105472.b3lyp_6-31g(d).qchem.inp (generated)

012105472.b3lyp_6-31g(d).gjf (generated)

012105472.b3lyp_6-31g(d).firefly.inp (generated)

012105472.b3lyp_6-31g(d).smash.inp (generated)

012105472.b3lyp_6-31g(d).nwchem.inp (generated) 012105472.b3lyp_6-31g(d).log.xz 012105472.td-b3lyp_6-31g+(d).inp 012105472.td-b3lyp_6-31g+(d).log.xz

012105472.td-b3lyp_6-31+g(d).qchem.inp (generated)

012105472.td-b3lyp_6-31+g(d).gjf (generated)

012105472.td-b3lyp_6-31+g(d).firefly.inp (generated)

012105472.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012105472.mol 012105472.PUBCHEM 012105472.mol (via Jmol)
012105477.b3lyp_6-31g(d).inp

012105477.b3lyp_6-31g(d).qchem.inp (generated)

012105477.b3lyp_6-31g(d).gjf (generated)

012105477.b3lyp_6-31g(d).firefly.inp (generated)

012105477.b3lyp_6-31g(d).smash.inp (generated)

012105477.b3lyp_6-31g(d).nwchem.inp (generated) 012105477.b3lyp_6-31g(d).log.xz 012105477.td-b3lyp_6-31g+(d).inp 012105477.td-b3lyp_6-31g+(d).log.xz

012105477.td-b3lyp_6-31+g(d).qchem.inp (generated)

012105477.td-b3lyp_6-31+g(d).gjf (generated)

012105477.td-b3lyp_6-31+g(d).firefly.inp (generated)

012105477.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012105477.mol 012105477.PUBCHEM 012105477.mol (via Jmol)
012105631.b3lyp_6-31g(d).inp

012105631.b3lyp_6-31g(d).qchem.inp (generated)

012105631.b3lyp_6-31g(d).gjf (generated)

012105631.b3lyp_6-31g(d).firefly.inp (generated)

012105631.b3lyp_6-31g(d).smash.inp (generated)

012105631.b3lyp_6-31g(d).nwchem.inp (generated) 012105631.b3lyp_6-31g(d).log.xz 012105631.td-b3lyp_6-31g+(d).inp 012105631.td-b3lyp_6-31g+(d).log.xz

012105631.td-b3lyp_6-31+g(d).qchem.inp (generated)

012105631.td-b3lyp_6-31+g(d).gjf (generated)

012105631.td-b3lyp_6-31+g(d).firefly.inp (generated)

012105631.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012105631.mol 012105631.PUBCHEM 012105631.mol (via Jmol)
012105634.b3lyp_6-31g(d).inp

012105634.b3lyp_6-31g(d).qchem.inp (generated)

012105634.b3lyp_6-31g(d).gjf (generated)

012105634.b3lyp_6-31g(d).firefly.inp (generated)

012105634.b3lyp_6-31g(d).smash.inp (generated)

012105634.b3lyp_6-31g(d).nwchem.inp (generated) 012105634.b3lyp_6-31g(d).log.xz 012105634.mol 012105634.PUBCHEM 012105634.mol (via Jmol)
012105660.b3lyp_6-31g(d).inp

012105660.b3lyp_6-31g(d).qchem.inp (generated)

012105660.b3lyp_6-31g(d).gjf (generated)

012105660.b3lyp_6-31g(d).firefly.inp (generated)

012105660.b3lyp_6-31g(d).smash.inp (generated)

012105660.b3lyp_6-31g(d).nwchem.inp (generated) 012105660.b3lyp_6-31g(d).log.xz 012105660.td-b3lyp_6-31g+(d).inp 012105660.td-b3lyp_6-31g+(d).log.xz

012105660.td-b3lyp_6-31+g(d).qchem.inp (generated)

012105660.td-b3lyp_6-31+g(d).gjf (generated)

012105660.td-b3lyp_6-31+g(d).firefly.inp (generated)

012105660.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012105660.mol 012105660.PUBCHEM 012105660.mol (via Jmol)
012105667.b3lyp_6-31g(d).inp

012105667.b3lyp_6-31g(d).qchem.inp (generated)

012105667.b3lyp_6-31g(d).gjf (generated)

012105667.b3lyp_6-31g(d).firefly.inp (generated)

012105667.b3lyp_6-31g(d).smash.inp (generated)

012105667.b3lyp_6-31g(d).nwchem.inp (generated) 012105667.b3lyp_6-31g(d).log.xz 012105667.td-b3lyp_6-31g+(d).inp 012105667.td-b3lyp_6-31g+(d).log.xz

012105667.td-b3lyp_6-31+g(d).qchem.inp (generated)

012105667.td-b3lyp_6-31+g(d).gjf (generated)

012105667.td-b3lyp_6-31+g(d).firefly.inp (generated)

012105667.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012105667.mol 012105667.PUBCHEM 012105667.mol (via Jmol)
012105736.b3lyp_6-31g(d).inp

012105736.b3lyp_6-31g(d).qchem.inp (generated)

012105736.b3lyp_6-31g(d).gjf (generated)

012105736.b3lyp_6-31g(d).firefly.inp (generated)

012105736.b3lyp_6-31g(d).smash.inp (generated)

012105736.b3lyp_6-31g(d).nwchem.inp (generated) 012105736.b3lyp_6-31g(d).log.xz 012105736.td-b3lyp_6-31g+(d).inp 012105736.td-b3lyp_6-31g+(d).log.xz

012105736.td-b3lyp_6-31+g(d).qchem.inp (generated)

012105736.td-b3lyp_6-31+g(d).gjf (generated)

012105736.td-b3lyp_6-31+g(d).firefly.inp (generated)

012105736.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012105736.mol 012105736.PUBCHEM 012105736.mol (via Jmol)
012105766.b3lyp_6-31g(d).inp

012105766.b3lyp_6-31g(d).qchem.inp (generated)

012105766.b3lyp_6-31g(d).gjf (generated)

012105766.b3lyp_6-31g(d).firefly.inp (generated)

012105766.b3lyp_6-31g(d).smash.inp (generated)

012105766.b3lyp_6-31g(d).nwchem.inp (generated) 012105766.b3lyp_6-31g(d).log.xz 012105766.mol 012105766.PUBCHEM 012105766.mol (via Jmol)
012105819.b3lyp_6-31g(d).inp

012105819.b3lyp_6-31g(d).qchem.inp (generated)

012105819.b3lyp_6-31g(d).gjf (generated)

012105819.b3lyp_6-31g(d).firefly.inp (generated)

012105819.b3lyp_6-31g(d).smash.inp (generated)

012105819.b3lyp_6-31g(d).nwchem.inp (generated) 012105819.b3lyp_6-31g(d).log.xz 012105819.td-b3lyp_6-31g+(d).inp 012105819.td-b3lyp_6-31g+(d).log.xz

012105819.td-b3lyp_6-31+g(d).qchem.inp (generated)

012105819.td-b3lyp_6-31+g(d).gjf (generated)

012105819.td-b3lyp_6-31+g(d).firefly.inp (generated)

012105819.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012105819.mol 012105819.PUBCHEM 012105819.mol (via Jmol)
012105829.b3lyp_6-31g(d).inp

012105829.b3lyp_6-31g(d).qchem.inp (generated)

012105829.b3lyp_6-31g(d).gjf (generated)

012105829.b3lyp_6-31g(d).firefly.inp (generated)

012105829.b3lyp_6-31g(d).smash.inp (generated)

012105829.b3lyp_6-31g(d).nwchem.inp (generated) 012105829.b3lyp_6-31g(d).log.xz 012105829.td-b3lyp_6-31g+(d).inp 012105829.td-b3lyp_6-31g+(d).log.xz

012105829.td-b3lyp_6-31+g(d).qchem.inp (generated)

012105829.td-b3lyp_6-31+g(d).gjf (generated)

012105829.td-b3lyp_6-31+g(d).firefly.inp (generated)

012105829.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012105829.mol 012105829.PUBCHEM 012105829.mol (via Jmol)
012105891.b3lyp_6-31g(d).inp

012105891.b3lyp_6-31g(d).qchem.inp (generated)

012105891.b3lyp_6-31g(d).gjf (generated)

012105891.b3lyp_6-31g(d).firefly.inp (generated)

012105891.b3lyp_6-31g(d).smash.inp (generated)

012105891.b3lyp_6-31g(d).nwchem.inp (generated) 012105891.b3lyp_6-31g(d).log.xz 012105891.td-b3lyp_6-31g+(d).inp 012105891.td-b3lyp_6-31g+(d).log.xz

012105891.td-b3lyp_6-31+g(d).qchem.inp (generated)

012105891.td-b3lyp_6-31+g(d).gjf (generated)

012105891.td-b3lyp_6-31+g(d).firefly.inp (generated)

012105891.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012105891.mol 012105891.PUBCHEM 012105891.mol (via Jmol)
012105920.b3lyp_6-31g(d).inp

012105920.b3lyp_6-31g(d).qchem.inp (generated)

012105920.b3lyp_6-31g(d).gjf (generated)

012105920.b3lyp_6-31g(d).firefly.inp (generated)

012105920.b3lyp_6-31g(d).smash.inp (generated)

012105920.b3lyp_6-31g(d).nwchem.inp (generated) 012105920.b3lyp_6-31g(d).log.xz 012105920.td-b3lyp_6-31g+(d).inp 012105920.td-b3lyp_6-31g+(d).log.xz

012105920.td-b3lyp_6-31+g(d).qchem.inp (generated)

012105920.td-b3lyp_6-31+g(d).gjf (generated)

012105920.td-b3lyp_6-31+g(d).firefly.inp (generated)

012105920.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012105920.mol 012105920.PUBCHEM 012105920.mol (via Jmol)
012106084.b3lyp_6-31g(d).inp

012106084.b3lyp_6-31g(d).qchem.inp (generated)

012106084.b3lyp_6-31g(d).gjf (generated)

012106084.b3lyp_6-31g(d).firefly.inp (generated)

012106084.b3lyp_6-31g(d).smash.inp (generated)

012106084.b3lyp_6-31g(d).nwchem.inp (generated) 012106084.b3lyp_6-31g(d).log.xz 012106084.td-b3lyp_6-31g+(d).inp 012106084.td-b3lyp_6-31g+(d).log.xz

012106084.td-b3lyp_6-31+g(d).qchem.inp (generated)

012106084.td-b3lyp_6-31+g(d).gjf (generated)

012106084.td-b3lyp_6-31+g(d).firefly.inp (generated)

012106084.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012106084.mol 012106084.PUBCHEM 012106084.mol (via Jmol)
012106085.b3lyp_6-31g(d).inp

012106085.b3lyp_6-31g(d).qchem.inp (generated)

012106085.b3lyp_6-31g(d).gjf (generated)

012106085.b3lyp_6-31g(d).firefly.inp (generated)

012106085.b3lyp_6-31g(d).smash.inp (generated)

012106085.b3lyp_6-31g(d).nwchem.inp (generated) 012106085.b3lyp_6-31g(d).log.xz 012106085.td-b3lyp_6-31g+(d).inp 012106085.td-b3lyp_6-31g+(d).log.xz

012106085.td-b3lyp_6-31+g(d).qchem.inp (generated)

012106085.td-b3lyp_6-31+g(d).gjf (generated)

012106085.td-b3lyp_6-31+g(d).firefly.inp (generated)

012106085.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012106085.mol 012106085.PUBCHEM 012106085.mol (via Jmol)
012106168.b3lyp_6-31g(d).inp

012106168.b3lyp_6-31g(d).qchem.inp (generated)

012106168.b3lyp_6-31g(d).gjf (generated)

012106168.b3lyp_6-31g(d).firefly.inp (generated)

012106168.b3lyp_6-31g(d).smash.inp (generated)

012106168.b3lyp_6-31g(d).nwchem.inp (generated) 012106168.b3lyp_6-31g(d).log.xz 012106168.td-b3lyp_6-31g+(d).inp 012106168.td-b3lyp_6-31g+(d).log.xz

012106168.td-b3lyp_6-31+g(d).qchem.inp (generated)

012106168.td-b3lyp_6-31+g(d).gjf (generated)

012106168.td-b3lyp_6-31+g(d).firefly.inp (generated)

012106168.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012106168.mol 012106168.PUBCHEM 012106168.mol (via Jmol)
012106198.b3lyp_6-31g(d).inp

012106198.b3lyp_6-31g(d).qchem.inp (generated)

012106198.b3lyp_6-31g(d).gjf (generated)

012106198.b3lyp_6-31g(d).firefly.inp (generated)

012106198.b3lyp_6-31g(d).smash.inp (generated)

012106198.b3lyp_6-31g(d).nwchem.inp (generated) 012106198.b3lyp_6-31g(d).log.xz 012106198.td-b3lyp_6-31g+(d).inp 012106198.td-b3lyp_6-31g+(d).log.xz

012106198.td-b3lyp_6-31+g(d).qchem.inp (generated)

012106198.td-b3lyp_6-31+g(d).gjf (generated)

012106198.td-b3lyp_6-31+g(d).firefly.inp (generated)

012106198.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012106198.mol 012106198.PUBCHEM 012106198.mol (via Jmol)
012106249.b3lyp_6-31g(d).inp

012106249.b3lyp_6-31g(d).qchem.inp (generated)

012106249.b3lyp_6-31g(d).gjf (generated)

012106249.b3lyp_6-31g(d).firefly.inp (generated)

012106249.b3lyp_6-31g(d).smash.inp (generated)

012106249.b3lyp_6-31g(d).nwchem.inp (generated) 012106249.b3lyp_6-31g(d).log.xz 012106249.mol 012106249.PUBCHEM 012106249.mol (via Jmol)
012106254.b3lyp_6-31g(d).inp

012106254.b3lyp_6-31g(d).qchem.inp (generated)

012106254.b3lyp_6-31g(d).gjf (generated)

012106254.b3lyp_6-31g(d).firefly.inp (generated)

012106254.b3lyp_6-31g(d).smash.inp (generated)

012106254.b3lyp_6-31g(d).nwchem.inp (generated) 012106254.b3lyp_6-31g(d).log.xz 012106254.td-b3lyp_6-31g+(d).inp 012106254.td-b3lyp_6-31g+(d).log.xz

012106254.td-b3lyp_6-31+g(d).qchem.inp (generated)

012106254.td-b3lyp_6-31+g(d).gjf (generated)

012106254.td-b3lyp_6-31+g(d).firefly.inp (generated)

012106254.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012106254.mol 012106254.PUBCHEM 012106254.mol (via Jmol)
012106257.b3lyp_6-31g(d).inp

012106257.b3lyp_6-31g(d).qchem.inp (generated)

012106257.b3lyp_6-31g(d).gjf (generated)

012106257.b3lyp_6-31g(d).firefly.inp (generated)

012106257.b3lyp_6-31g(d).smash.inp (generated)

012106257.b3lyp_6-31g(d).nwchem.inp (generated) 012106257.b3lyp_6-31g(d).log.xz 012106257.td-b3lyp_6-31g+(d).inp 012106257.td-b3lyp_6-31g+(d).log.xz

012106257.td-b3lyp_6-31+g(d).qchem.inp (generated)

012106257.td-b3lyp_6-31+g(d).gjf (generated)

012106257.td-b3lyp_6-31+g(d).firefly.inp (generated)

012106257.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012106257.mol 012106257.PUBCHEM 012106257.mol (via Jmol)
012106258.b3lyp_6-31g(d).inp

012106258.b3lyp_6-31g(d).qchem.inp (generated)

012106258.b3lyp_6-31g(d).gjf (generated)

012106258.b3lyp_6-31g(d).firefly.inp (generated)

012106258.b3lyp_6-31g(d).smash.inp (generated)

012106258.b3lyp_6-31g(d).nwchem.inp (generated) 012106258.b3lyp_6-31g(d).log.xz 012106258.td-b3lyp_6-31g+(d).inp 012106258.td-b3lyp_6-31g+(d).log.xz

012106258.td-b3lyp_6-31+g(d).qchem.inp (generated)

012106258.td-b3lyp_6-31+g(d).gjf (generated)

012106258.td-b3lyp_6-31+g(d).firefly.inp (generated)

012106258.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012106258.mol 012106258.PUBCHEM 012106258.mol (via Jmol)
012106287.b3lyp_6-31g(d).inp

012106287.b3lyp_6-31g(d).qchem.inp (generated)

012106287.b3lyp_6-31g(d).gjf (generated)

012106287.b3lyp_6-31g(d).firefly.inp (generated)

012106287.b3lyp_6-31g(d).smash.inp (generated)

012106287.b3lyp_6-31g(d).nwchem.inp (generated) 012106287.b3lyp_6-31g(d).log.xz 012106287.td-b3lyp_6-31g+(d).inp 012106287.td-b3lyp_6-31g+(d).log.xz

012106287.td-b3lyp_6-31+g(d).qchem.inp (generated)

012106287.td-b3lyp_6-31+g(d).gjf (generated)

012106287.td-b3lyp_6-31+g(d).firefly.inp (generated)

012106287.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012106287.mol 012106287.PUBCHEM 012106287.mol (via Jmol)
012106301.b3lyp_6-31g(d).inp

012106301.b3lyp_6-31g(d).qchem.inp (generated)

012106301.b3lyp_6-31g(d).gjf (generated)

012106301.b3lyp_6-31g(d).firefly.inp (generated)

012106301.b3lyp_6-31g(d).smash.inp (generated)

012106301.b3lyp_6-31g(d).nwchem.inp (generated) 012106301.b3lyp_6-31g(d).log.xz 012106301.td-b3lyp_6-31g+(d).inp 012106301.td-b3lyp_6-31g+(d).log.xz

012106301.td-b3lyp_6-31+g(d).qchem.inp (generated)

012106301.td-b3lyp_6-31+g(d).gjf (generated)

012106301.td-b3lyp_6-31+g(d).firefly.inp (generated)

012106301.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012106301.mol 012106301.PUBCHEM 012106301.mol (via Jmol)
012106311.b3lyp_6-31g(d).inp

012106311.b3lyp_6-31g(d).qchem.inp (generated)

012106311.b3lyp_6-31g(d).gjf (generated)

012106311.b3lyp_6-31g(d).firefly.inp (generated)

012106311.b3lyp_6-31g(d).smash.inp (generated)

012106311.b3lyp_6-31g(d).nwchem.inp (generated) 012106311.b3lyp_6-31g(d).log.xz 012106311.td-b3lyp_6-31g+(d).inp 012106311.td-b3lyp_6-31g+(d).log.xz

012106311.td-b3lyp_6-31+g(d).qchem.inp (generated)

012106311.td-b3lyp_6-31+g(d).gjf (generated)

012106311.td-b3lyp_6-31+g(d).firefly.inp (generated)

012106311.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012106311.mol 012106311.PUBCHEM 012106311.mol (via Jmol)
012106403.b3lyp_6-31g(d).inp

012106403.b3lyp_6-31g(d).qchem.inp (generated)

012106403.b3lyp_6-31g(d).gjf (generated)

012106403.b3lyp_6-31g(d).firefly.inp (generated)

012106403.b3lyp_6-31g(d).smash.inp (generated)

012106403.b3lyp_6-31g(d).nwchem.inp (generated) 012106403.b3lyp_6-31g(d).log.xz 012106403.td-b3lyp_6-31g+(d).inp 012106403.td-b3lyp_6-31g+(d).log.xz

012106403.td-b3lyp_6-31+g(d).qchem.inp (generated)

012106403.td-b3lyp_6-31+g(d).gjf (generated)

012106403.td-b3lyp_6-31+g(d).firefly.inp (generated)

012106403.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012106403.mol 012106403.PUBCHEM 012106403.mol (via Jmol)
012106420.b3lyp_6-31g(d).inp

012106420.b3lyp_6-31g(d).qchem.inp (generated)

012106420.b3lyp_6-31g(d).gjf (generated)

012106420.b3lyp_6-31g(d).firefly.inp (generated)

012106420.b3lyp_6-31g(d).smash.inp (generated)

012106420.b3lyp_6-31g(d).nwchem.inp (generated) 012106420.b3lyp_6-31g(d).log.xz 012106420.td-b3lyp_6-31g+(d).inp 012106420.td-b3lyp_6-31g+(d).log.xz

012106420.td-b3lyp_6-31+g(d).qchem.inp (generated)

012106420.td-b3lyp_6-31+g(d).gjf (generated)

012106420.td-b3lyp_6-31+g(d).firefly.inp (generated)

012106420.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012106420.mol 012106420.PUBCHEM 012106420.mol (via Jmol)
012106433.b3lyp_6-31g(d).inp

012106433.b3lyp_6-31g(d).qchem.inp (generated)

012106433.b3lyp_6-31g(d).gjf (generated)

012106433.b3lyp_6-31g(d).firefly.inp (generated)

012106433.b3lyp_6-31g(d).smash.inp (generated)

012106433.b3lyp_6-31g(d).nwchem.inp (generated) 012106433.b3lyp_6-31g(d).log.xz 012106433.td-b3lyp_6-31g+(d).inp 012106433.td-b3lyp_6-31g+(d).log.xz

012106433.td-b3lyp_6-31+g(d).qchem.inp (generated)

012106433.td-b3lyp_6-31+g(d).gjf (generated)

012106433.td-b3lyp_6-31+g(d).firefly.inp (generated)

012106433.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012106433.mol 012106433.PUBCHEM 012106433.mol (via Jmol)
012106517.b3lyp_6-31g(d).inp

012106517.b3lyp_6-31g(d).qchem.inp (generated)

012106517.b3lyp_6-31g(d).gjf (generated)

012106517.b3lyp_6-31g(d).firefly.inp (generated)

012106517.b3lyp_6-31g(d).smash.inp (generated)

012106517.b3lyp_6-31g(d).nwchem.inp (generated) 012106517.b3lyp_6-31g(d).log.xz 012106517.td-b3lyp_6-31g+(d).inp 012106517.td-b3lyp_6-31g+(d).log.xz

012106517.td-b3lyp_6-31+g(d).qchem.inp (generated)

012106517.td-b3lyp_6-31+g(d).gjf (generated)

012106517.td-b3lyp_6-31+g(d).firefly.inp (generated)

012106517.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012106517.mol 012106517.PUBCHEM 012106517.mol (via Jmol)
012106518.b3lyp_6-31g(d).inp

012106518.b3lyp_6-31g(d).qchem.inp (generated)

012106518.b3lyp_6-31g(d).gjf (generated)

012106518.b3lyp_6-31g(d).firefly.inp (generated)

012106518.b3lyp_6-31g(d).smash.inp (generated)

012106518.b3lyp_6-31g(d).nwchem.inp (generated) 012106518.b3lyp_6-31g(d).log.xz 012106518.td-b3lyp_6-31g+(d).inp 012106518.td-b3lyp_6-31g+(d).log.xz

012106518.td-b3lyp_6-31+g(d).qchem.inp (generated)

012106518.td-b3lyp_6-31+g(d).gjf (generated)

012106518.td-b3lyp_6-31+g(d).firefly.inp (generated)

012106518.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012106518.mol 012106518.PUBCHEM 012106518.mol (via Jmol)
012106525.b3lyp_6-31g(d).inp

012106525.b3lyp_6-31g(d).qchem.inp (generated)

012106525.b3lyp_6-31g(d).gjf (generated)

012106525.b3lyp_6-31g(d).firefly.inp (generated)

012106525.b3lyp_6-31g(d).smash.inp (generated)

012106525.b3lyp_6-31g(d).nwchem.inp (generated) 012106525.b3lyp_6-31g(d).log.xz 012106525.td-b3lyp_6-31g+(d).inp 012106525.td-b3lyp_6-31g+(d).log.xz

012106525.td-b3lyp_6-31+g(d).qchem.inp (generated)

012106525.td-b3lyp_6-31+g(d).gjf (generated)

012106525.td-b3lyp_6-31+g(d).firefly.inp (generated)

012106525.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012106525.mol 012106525.PUBCHEM 012106525.mol (via Jmol)
012106593.b3lyp_6-31g(d).inp

012106593.b3lyp_6-31g(d).qchem.inp (generated)

012106593.b3lyp_6-31g(d).gjf (generated)

012106593.b3lyp_6-31g(d).firefly.inp (generated)

012106593.b3lyp_6-31g(d).smash.inp (generated)

012106593.b3lyp_6-31g(d).nwchem.inp (generated) 012106593.b3lyp_6-31g(d).log.xz 012106593.td-b3lyp_6-31g+(d).inp 012106593.td-b3lyp_6-31g+(d).log.xz

012106593.td-b3lyp_6-31+g(d).qchem.inp (generated)

012106593.td-b3lyp_6-31+g(d).gjf (generated)

012106593.td-b3lyp_6-31+g(d).firefly.inp (generated)

012106593.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012106593.mol 012106593.PUBCHEM 012106593.mol (via Jmol)
012106595.b3lyp_6-31g(d).inp

012106595.b3lyp_6-31g(d).qchem.inp (generated)

012106595.b3lyp_6-31g(d).gjf (generated)

012106595.b3lyp_6-31g(d).firefly.inp (generated)

012106595.b3lyp_6-31g(d).smash.inp (generated)

012106595.b3lyp_6-31g(d).nwchem.inp (generated) 012106595.b3lyp_6-31g(d).log.xz 012106595.td-b3lyp_6-31g+(d).inp 012106595.td-b3lyp_6-31g+(d).log.xz

012106595.td-b3lyp_6-31+g(d).qchem.inp (generated)

012106595.td-b3lyp_6-31+g(d).gjf (generated)

012106595.td-b3lyp_6-31+g(d).firefly.inp (generated)

012106595.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012106595.mol 012106595.PUBCHEM 012106595.mol (via Jmol)
012106605.b3lyp_6-31g(d).inp

012106605.b3lyp_6-31g(d).qchem.inp (generated)

012106605.b3lyp_6-31g(d).gjf (generated)

012106605.b3lyp_6-31g(d).firefly.inp (generated)

012106605.b3lyp_6-31g(d).smash.inp (generated)

012106605.b3lyp_6-31g(d).nwchem.inp (generated) 012106605.b3lyp_6-31g(d).log.xz 012106605.td-b3lyp_6-31g+(d).inp 012106605.td-b3lyp_6-31g+(d).log.xz

012106605.td-b3lyp_6-31+g(d).qchem.inp (generated)

012106605.td-b3lyp_6-31+g(d).gjf (generated)

012106605.td-b3lyp_6-31+g(d).firefly.inp (generated)

012106605.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012106605.mol 012106605.PUBCHEM 012106605.mol (via Jmol)
012106852.b3lyp_6-31g(d).inp

012106852.b3lyp_6-31g(d).qchem.inp (generated)

012106852.b3lyp_6-31g(d).gjf (generated)

012106852.b3lyp_6-31g(d).firefly.inp (generated)

012106852.b3lyp_6-31g(d).smash.inp (generated)

012106852.b3lyp_6-31g(d).nwchem.inp (generated) 012106852.b3lyp_6-31g(d).log.xz 012106852.td-b3lyp_6-31g+(d).inp 012106852.td-b3lyp_6-31g+(d).log.xz

012106852.td-b3lyp_6-31+g(d).qchem.inp (generated)

012106852.td-b3lyp_6-31+g(d).gjf (generated)

012106852.td-b3lyp_6-31+g(d).firefly.inp (generated)

012106852.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012106852.mol 012106852.PUBCHEM 012106852.mol (via Jmol)
012107222.b3lyp_6-31g(d).inp

012107222.b3lyp_6-31g(d).qchem.inp (generated)

012107222.b3lyp_6-31g(d).gjf (generated)

012107222.b3lyp_6-31g(d).firefly.inp (generated)

012107222.b3lyp_6-31g(d).smash.inp (generated)

012107222.b3lyp_6-31g(d).nwchem.inp (generated) 012107222.b3lyp_6-31g(d).log.xz 012107222.td-b3lyp_6-31g+(d).inp 012107222.td-b3lyp_6-31g+(d).log.xz

012107222.td-b3lyp_6-31+g(d).qchem.inp (generated)

012107222.td-b3lyp_6-31+g(d).gjf (generated)

012107222.td-b3lyp_6-31+g(d).firefly.inp (generated)

012107222.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012107222.mol 012107222.PUBCHEM 012107222.mol (via Jmol)
012107246.b3lyp_6-31g(d).inp

012107246.b3lyp_6-31g(d).qchem.inp (generated)

012107246.b3lyp_6-31g(d).gjf (generated)

012107246.b3lyp_6-31g(d).firefly.inp (generated)

012107246.b3lyp_6-31g(d).smash.inp (generated)

012107246.b3lyp_6-31g(d).nwchem.inp (generated) 012107246.b3lyp_6-31g(d).log.xz 012107246.td-b3lyp_6-31g+(d).inp 012107246.td-b3lyp_6-31g+(d).log.xz

012107246.td-b3lyp_6-31+g(d).qchem.inp (generated)

012107246.td-b3lyp_6-31+g(d).gjf (generated)

012107246.td-b3lyp_6-31+g(d).firefly.inp (generated)

012107246.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012107246.mol 012107246.PUBCHEM 012107246.mol (via Jmol)
012107255.b3lyp_6-31g(d).inp

012107255.b3lyp_6-31g(d).qchem.inp (generated)

012107255.b3lyp_6-31g(d).gjf (generated)

012107255.b3lyp_6-31g(d).firefly.inp (generated)

012107255.b3lyp_6-31g(d).smash.inp (generated)

012107255.b3lyp_6-31g(d).nwchem.inp (generated) 012107255.b3lyp_6-31g(d).log.xz 012107255.td-b3lyp_6-31g+(d).inp 012107255.td-b3lyp_6-31g+(d).log.xz

012107255.td-b3lyp_6-31+g(d).qchem.inp (generated)

012107255.td-b3lyp_6-31+g(d).gjf (generated)

012107255.td-b3lyp_6-31+g(d).firefly.inp (generated)

012107255.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012107255.mol 012107255.PUBCHEM 012107255.mol (via Jmol)
012107308.b3lyp_6-31g(d).inp

012107308.b3lyp_6-31g(d).qchem.inp (generated)

012107308.b3lyp_6-31g(d).gjf (generated)

012107308.b3lyp_6-31g(d).firefly.inp (generated)

012107308.b3lyp_6-31g(d).smash.inp (generated)

012107308.b3lyp_6-31g(d).nwchem.inp (generated) 012107308.b3lyp_6-31g(d).log.xz 012107308.mol 012107308.PUBCHEM 012107308.mol (via Jmol)
012107312.b3lyp_6-31g(d).inp

012107312.b3lyp_6-31g(d).qchem.inp (generated)

012107312.b3lyp_6-31g(d).gjf (generated)

012107312.b3lyp_6-31g(d).firefly.inp (generated)

012107312.b3lyp_6-31g(d).smash.inp (generated)

012107312.b3lyp_6-31g(d).nwchem.inp (generated) 012107312.b3lyp_6-31g(d).log.xz 012107312.td-b3lyp_6-31g+(d).inp 012107312.td-b3lyp_6-31g+(d).log.xz

012107312.td-b3lyp_6-31+g(d).qchem.inp (generated)

012107312.td-b3lyp_6-31+g(d).gjf (generated)

012107312.td-b3lyp_6-31+g(d).firefly.inp (generated)

012107312.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012107312.mol 012107312.PUBCHEM 012107312.mol (via Jmol)
012107438.b3lyp_6-31g(d).inp

012107438.b3lyp_6-31g(d).qchem.inp (generated)

012107438.b3lyp_6-31g(d).gjf (generated)

012107438.b3lyp_6-31g(d).firefly.inp (generated)

012107438.b3lyp_6-31g(d).smash.inp (generated)

012107438.b3lyp_6-31g(d).nwchem.inp (generated) 012107438.b3lyp_6-31g(d).log.xz 012107438.td-b3lyp_6-31g+(d).inp 012107438.td-b3lyp_6-31g+(d).log.xz

012107438.td-b3lyp_6-31+g(d).qchem.inp (generated)

012107438.td-b3lyp_6-31+g(d).gjf (generated)

012107438.td-b3lyp_6-31+g(d).firefly.inp (generated)

012107438.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012107438.mol 012107438.PUBCHEM 012107438.mol (via Jmol)
012107548.b3lyp_6-31g(d).inp

012107548.b3lyp_6-31g(d).qchem.inp (generated)

012107548.b3lyp_6-31g(d).gjf (generated)

012107548.b3lyp_6-31g(d).firefly.inp (generated)

012107548.b3lyp_6-31g(d).smash.inp (generated)

012107548.b3lyp_6-31g(d).nwchem.inp (generated) 012107548.b3lyp_6-31g(d).log.xz 012107548.td-b3lyp_6-31g+(d).inp 012107548.td-b3lyp_6-31g+(d).log.xz

012107548.td-b3lyp_6-31+g(d).qchem.inp (generated)

012107548.td-b3lyp_6-31+g(d).gjf (generated)

012107548.td-b3lyp_6-31+g(d).firefly.inp (generated)

012107548.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012107548.mol 012107548.PUBCHEM 012107548.mol (via Jmol)
012107675.b3lyp_6-31g(d).inp

012107675.b3lyp_6-31g(d).qchem.inp (generated)

012107675.b3lyp_6-31g(d).gjf (generated)

012107675.b3lyp_6-31g(d).firefly.inp (generated)

012107675.b3lyp_6-31g(d).smash.inp (generated)

012107675.b3lyp_6-31g(d).nwchem.inp (generated) 012107675.b3lyp_6-31g(d).log.xz 012107675.td-b3lyp_6-31g+(d).inp 012107675.td-b3lyp_6-31g+(d).log.xz

012107675.td-b3lyp_6-31+g(d).qchem.inp (generated)

012107675.td-b3lyp_6-31+g(d).gjf (generated)

012107675.td-b3lyp_6-31+g(d).firefly.inp (generated)

012107675.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012107675.mol 012107675.PUBCHEM 012107675.mol (via Jmol)
012107677.b3lyp_6-31g(d).inp

012107677.b3lyp_6-31g(d).qchem.inp (generated)

012107677.b3lyp_6-31g(d).gjf (generated)

012107677.b3lyp_6-31g(d).firefly.inp (generated)

012107677.b3lyp_6-31g(d).smash.inp (generated)

012107677.b3lyp_6-31g(d).nwchem.inp (generated) 012107677.b3lyp_6-31g(d).log.xz 012107677.mol 012107677.PUBCHEM 012107677.mol (via Jmol)
012107912.b3lyp_6-31g(d).inp

012107912.b3lyp_6-31g(d).qchem.inp (generated)

012107912.b3lyp_6-31g(d).gjf (generated)

012107912.b3lyp_6-31g(d).firefly.inp (generated)

012107912.b3lyp_6-31g(d).smash.inp (generated)

012107912.b3lyp_6-31g(d).nwchem.inp (generated) 012107912.b3lyp_6-31g(d).log.xz 012107912.mol 012107912.PUBCHEM 012107912.mol (via Jmol)
012108000.b3lyp_6-31g(d).inp

012108000.b3lyp_6-31g(d).qchem.inp (generated)

012108000.b3lyp_6-31g(d).gjf (generated)

012108000.b3lyp_6-31g(d).firefly.inp (generated)

012108000.b3lyp_6-31g(d).smash.inp (generated)

012108000.b3lyp_6-31g(d).nwchem.inp (generated) 012108000.b3lyp_6-31g(d).log.xz 012108000.td-b3lyp_6-31g+(d).inp 012108000.td-b3lyp_6-31g+(d).log.xz

012108000.td-b3lyp_6-31+g(d).qchem.inp (generated)

012108000.td-b3lyp_6-31+g(d).gjf (generated)

012108000.td-b3lyp_6-31+g(d).firefly.inp (generated)

012108000.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012108000.mol 012108000.PUBCHEM 012108000.mol (via Jmol)
012108096.b3lyp_6-31g(d).inp

012108096.b3lyp_6-31g(d).qchem.inp (generated)

012108096.b3lyp_6-31g(d).gjf (generated)

012108096.b3lyp_6-31g(d).firefly.inp (generated)

012108096.b3lyp_6-31g(d).smash.inp (generated)

012108096.b3lyp_6-31g(d).nwchem.inp (generated) 012108096.b3lyp_6-31g(d).log.xz 012108096.td-b3lyp_6-31g+(d).inp 012108096.td-b3lyp_6-31g+(d).log.xz

012108096.td-b3lyp_6-31+g(d).qchem.inp (generated)

012108096.td-b3lyp_6-31+g(d).gjf (generated)

012108096.td-b3lyp_6-31+g(d).firefly.inp (generated)

012108096.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012108096.mol 012108096.PUBCHEM 012108096.mol (via Jmol)
012108113.b3lyp_6-31g(d).inp

012108113.b3lyp_6-31g(d).qchem.inp (generated)

012108113.b3lyp_6-31g(d).gjf (generated)

012108113.b3lyp_6-31g(d).firefly.inp (generated)

012108113.b3lyp_6-31g(d).smash.inp (generated)

012108113.b3lyp_6-31g(d).nwchem.inp (generated) 012108113.b3lyp_6-31g(d).log.xz 012108113.td-b3lyp_6-31g+(d).inp 012108113.td-b3lyp_6-31g+(d).log.xz

012108113.td-b3lyp_6-31+g(d).qchem.inp (generated)

012108113.td-b3lyp_6-31+g(d).gjf (generated)

012108113.td-b3lyp_6-31+g(d).firefly.inp (generated)

012108113.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012108113.mol 012108113.PUBCHEM 012108113.mol (via Jmol)
012108126.b3lyp_6-31g(d).inp

012108126.b3lyp_6-31g(d).qchem.inp (generated)

012108126.b3lyp_6-31g(d).gjf (generated)

012108126.b3lyp_6-31g(d).firefly.inp (generated)

012108126.b3lyp_6-31g(d).smash.inp (generated)

012108126.b3lyp_6-31g(d).nwchem.inp (generated) 012108126.b3lyp_6-31g(d).log.xz 012108126.td-b3lyp_6-31g+(d).inp 012108126.td-b3lyp_6-31g+(d).log.xz

012108126.td-b3lyp_6-31+g(d).qchem.inp (generated)

012108126.td-b3lyp_6-31+g(d).gjf (generated)

012108126.td-b3lyp_6-31+g(d).firefly.inp (generated)

012108126.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012108126.mol 012108126.PUBCHEM 012108126.mol (via Jmol)
012108316.b3lyp_6-31g(d).inp

012108316.b3lyp_6-31g(d).qchem.inp (generated)

012108316.b3lyp_6-31g(d).gjf (generated)

012108316.b3lyp_6-31g(d).firefly.inp (generated)

012108316.b3lyp_6-31g(d).smash.inp (generated)

012108316.b3lyp_6-31g(d).nwchem.inp (generated) 012108316.b3lyp_6-31g(d).log.xz 012108316.td-b3lyp_6-31g+(d).inp 012108316.td-b3lyp_6-31g+(d).log.xz

012108316.td-b3lyp_6-31+g(d).qchem.inp (generated)

012108316.td-b3lyp_6-31+g(d).gjf (generated)

012108316.td-b3lyp_6-31+g(d).firefly.inp (generated)

012108316.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012108316.mol 012108316.PUBCHEM 012108316.mol (via Jmol)
012108429.b3lyp_6-31g(d).inp

012108429.b3lyp_6-31g(d).qchem.inp (generated)

012108429.b3lyp_6-31g(d).gjf (generated)

012108429.b3lyp_6-31g(d).firefly.inp (generated)

012108429.b3lyp_6-31g(d).smash.inp (generated)

012108429.b3lyp_6-31g(d).nwchem.inp (generated) 012108429.b3lyp_6-31g(d).log.xz 012108429.td-b3lyp_6-31g+(d).inp 012108429.td-b3lyp_6-31g+(d).log.xz

012108429.td-b3lyp_6-31+g(d).qchem.inp (generated)

012108429.td-b3lyp_6-31+g(d).gjf (generated)

012108429.td-b3lyp_6-31+g(d).firefly.inp (generated)

012108429.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012108429.mol 012108429.PUBCHEM 012108429.mol (via Jmol)
012108430.b3lyp_6-31g(d).inp

012108430.b3lyp_6-31g(d).qchem.inp (generated)

012108430.b3lyp_6-31g(d).gjf (generated)

012108430.b3lyp_6-31g(d).firefly.inp (generated)

012108430.b3lyp_6-31g(d).smash.inp (generated)

012108430.b3lyp_6-31g(d).nwchem.inp (generated) 012108430.b3lyp_6-31g(d).log.xz 012108430.td-b3lyp_6-31g+(d).inp 012108430.td-b3lyp_6-31g+(d).log.xz

012108430.td-b3lyp_6-31+g(d).qchem.inp (generated)

012108430.td-b3lyp_6-31+g(d).gjf (generated)

012108430.td-b3lyp_6-31+g(d).firefly.inp (generated)

012108430.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012108430.mol 012108430.PUBCHEM 012108430.mol (via Jmol)
012108510.b3lyp_6-31g(d).inp

012108510.b3lyp_6-31g(d).qchem.inp (generated)

012108510.b3lyp_6-31g(d).gjf (generated)

012108510.b3lyp_6-31g(d).firefly.inp (generated)

012108510.b3lyp_6-31g(d).smash.inp (generated)

012108510.b3lyp_6-31g(d).nwchem.inp (generated) 012108510.b3lyp_6-31g(d).log.xz 012108510.td-b3lyp_6-31g+(d).inp 012108510.td-b3lyp_6-31g+(d).log.xz

012108510.td-b3lyp_6-31+g(d).qchem.inp (generated)

012108510.td-b3lyp_6-31+g(d).gjf (generated)

012108510.td-b3lyp_6-31+g(d).firefly.inp (generated)

012108510.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012108510.mol 012108510.PUBCHEM 012108510.mol (via Jmol)
012108559.b3lyp_6-31g(d).inp

012108559.b3lyp_6-31g(d).qchem.inp (generated)

012108559.b3lyp_6-31g(d).gjf (generated)

012108559.b3lyp_6-31g(d).firefly.inp (generated)

012108559.b3lyp_6-31g(d).smash.inp (generated)

012108559.b3lyp_6-31g(d).nwchem.inp (generated) 012108559.b3lyp_6-31g(d).log.xz 012108559.td-b3lyp_6-31g+(d).inp 012108559.td-b3lyp_6-31g+(d).log.xz

012108559.td-b3lyp_6-31+g(d).qchem.inp (generated)

012108559.td-b3lyp_6-31+g(d).gjf (generated)

012108559.td-b3lyp_6-31+g(d).firefly.inp (generated)

012108559.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012108559.mol 012108559.PUBCHEM 012108559.mol (via Jmol)
012108666.b3lyp_6-31g(d).inp

012108666.b3lyp_6-31g(d).qchem.inp (generated)

012108666.b3lyp_6-31g(d).gjf (generated)

012108666.b3lyp_6-31g(d).firefly.inp (generated)

012108666.b3lyp_6-31g(d).smash.inp (generated)

012108666.b3lyp_6-31g(d).nwchem.inp (generated) 012108666.b3lyp_6-31g(d).log.xz 012108666.td-b3lyp_6-31g+(d).inp 012108666.td-b3lyp_6-31g+(d).log.xz

012108666.td-b3lyp_6-31+g(d).qchem.inp (generated)

012108666.td-b3lyp_6-31+g(d).gjf (generated)

012108666.td-b3lyp_6-31+g(d).firefly.inp (generated)

012108666.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012108666.mol 012108666.PUBCHEM 012108666.mol (via Jmol)
012108770.b3lyp_6-31g(d).inp

012108770.b3lyp_6-31g(d).qchem.inp (generated)

012108770.b3lyp_6-31g(d).gjf (generated)

012108770.b3lyp_6-31g(d).firefly.inp (generated)

012108770.b3lyp_6-31g(d).smash.inp (generated)

012108770.b3lyp_6-31g(d).nwchem.inp (generated) 012108770.b3lyp_6-31g(d).log.xz 012108770.td-b3lyp_6-31g+(d).inp 012108770.td-b3lyp_6-31g+(d).log.xz

012108770.td-b3lyp_6-31+g(d).qchem.inp (generated)

012108770.td-b3lyp_6-31+g(d).gjf (generated)

012108770.td-b3lyp_6-31+g(d).firefly.inp (generated)

012108770.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012108770.mol 012108770.PUBCHEM 012108770.mol (via Jmol)
012108927.b3lyp_6-31g(d).inp

012108927.b3lyp_6-31g(d).qchem.inp (generated)

012108927.b3lyp_6-31g(d).gjf (generated)

012108927.b3lyp_6-31g(d).firefly.inp (generated)

012108927.b3lyp_6-31g(d).smash.inp (generated)

012108927.b3lyp_6-31g(d).nwchem.inp (generated) 012108927.b3lyp_6-31g(d).log.xz 012108927.td-b3lyp_6-31g+(d).inp 012108927.td-b3lyp_6-31g+(d).log.xz

012108927.td-b3lyp_6-31+g(d).qchem.inp (generated)

012108927.td-b3lyp_6-31+g(d).gjf (generated)

012108927.td-b3lyp_6-31+g(d).firefly.inp (generated)

012108927.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012108927.mol 012108927.PUBCHEM 012108927.mol (via Jmol)
012109008.b3lyp_6-31g(d).inp

012109008.b3lyp_6-31g(d).qchem.inp (generated)

012109008.b3lyp_6-31g(d).gjf (generated)

012109008.b3lyp_6-31g(d).firefly.inp (generated)

012109008.b3lyp_6-31g(d).smash.inp (generated)

012109008.b3lyp_6-31g(d).nwchem.inp (generated) 012109008.b3lyp_6-31g(d).log.xz 012109008.mol 012109008.PUBCHEM 012109008.mol (via Jmol)
012109023.b3lyp_6-31g(d).inp

012109023.b3lyp_6-31g(d).qchem.inp (generated)

012109023.b3lyp_6-31g(d).gjf (generated)

012109023.b3lyp_6-31g(d).firefly.inp (generated)

012109023.b3lyp_6-31g(d).smash.inp (generated)

012109023.b3lyp_6-31g(d).nwchem.inp (generated) 012109023.b3lyp_6-31g(d).log.xz 012109023.td-b3lyp_6-31g+(d).inp 012109023.td-b3lyp_6-31g+(d).log.xz

012109023.td-b3lyp_6-31+g(d).qchem.inp (generated)

012109023.td-b3lyp_6-31+g(d).gjf (generated)

012109023.td-b3lyp_6-31+g(d).firefly.inp (generated)

012109023.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012109023.mol 012109023.PUBCHEM 012109023.mol (via Jmol)
012109075.b3lyp_6-31g(d).inp

012109075.b3lyp_6-31g(d).qchem.inp (generated)

012109075.b3lyp_6-31g(d).gjf (generated)

012109075.b3lyp_6-31g(d).firefly.inp (generated)

012109075.b3lyp_6-31g(d).smash.inp (generated)

012109075.b3lyp_6-31g(d).nwchem.inp (generated) 012109075.b3lyp_6-31g(d).log.xz 012109075.mol 012109075.PUBCHEM 012109075.mol (via Jmol)
012109076.b3lyp_6-31g(d).inp

012109076.b3lyp_6-31g(d).qchem.inp (generated)

012109076.b3lyp_6-31g(d).gjf (generated)

012109076.b3lyp_6-31g(d).firefly.inp (generated)

012109076.b3lyp_6-31g(d).smash.inp (generated)

012109076.b3lyp_6-31g(d).nwchem.inp (generated) 012109076.b3lyp_6-31g(d).log.xz 012109076.td-b3lyp_6-31g+(d).inp 012109076.td-b3lyp_6-31g+(d).log.xz

012109076.td-b3lyp_6-31+g(d).qchem.inp (generated)

012109076.td-b3lyp_6-31+g(d).gjf (generated)

012109076.td-b3lyp_6-31+g(d).firefly.inp (generated)

012109076.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012109076.mol 012109076.PUBCHEM 012109076.mol (via Jmol)
012109077.b3lyp_6-31g(d).inp

012109077.b3lyp_6-31g(d).qchem.inp (generated)

012109077.b3lyp_6-31g(d).gjf (generated)

012109077.b3lyp_6-31g(d).firefly.inp (generated)

012109077.b3lyp_6-31g(d).smash.inp (generated)

012109077.b3lyp_6-31g(d).nwchem.inp (generated) 012109077.b3lyp_6-31g(d).log.xz 012109077.td-b3lyp_6-31g+(d).inp 012109077.td-b3lyp_6-31g+(d).log.xz

012109077.td-b3lyp_6-31+g(d).qchem.inp (generated)

012109077.td-b3lyp_6-31+g(d).gjf (generated)

012109077.td-b3lyp_6-31+g(d).firefly.inp (generated)

012109077.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012109077.mol 012109077.PUBCHEM 012109077.mol (via Jmol)
012109099.b3lyp_6-31g(d).inp

012109099.b3lyp_6-31g(d).qchem.inp (generated)

012109099.b3lyp_6-31g(d).gjf (generated)

012109099.b3lyp_6-31g(d).firefly.inp (generated)

012109099.b3lyp_6-31g(d).smash.inp (generated)

012109099.b3lyp_6-31g(d).nwchem.inp (generated) 012109099.b3lyp_6-31g(d).log.xz 012109099.td-b3lyp_6-31g+(d).inp 012109099.td-b3lyp_6-31g+(d).log.xz

012109099.td-b3lyp_6-31+g(d).qchem.inp (generated)

012109099.td-b3lyp_6-31+g(d).gjf (generated)

012109099.td-b3lyp_6-31+g(d).firefly.inp (generated)

012109099.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012109099.mol 012109099.PUBCHEM 012109099.mol (via Jmol)
012109123.b3lyp_6-31g(d).inp

012109123.b3lyp_6-31g(d).qchem.inp (generated)

012109123.b3lyp_6-31g(d).gjf (generated)

012109123.b3lyp_6-31g(d).firefly.inp (generated)

012109123.b3lyp_6-31g(d).smash.inp (generated)

012109123.b3lyp_6-31g(d).nwchem.inp (generated) 012109123.b3lyp_6-31g(d).log.xz 012109123.mol 012109123.PUBCHEM 012109123.mol (via Jmol)
012109154.b3lyp_6-31g(d).inp

012109154.b3lyp_6-31g(d).qchem.inp (generated)

012109154.b3lyp_6-31g(d).gjf (generated)

012109154.b3lyp_6-31g(d).firefly.inp (generated)

012109154.b3lyp_6-31g(d).smash.inp (generated)

012109154.b3lyp_6-31g(d).nwchem.inp (generated) 012109154.b3lyp_6-31g(d).log.xz 012109154.td-b3lyp_6-31g+(d).inp 012109154.td-b3lyp_6-31g+(d).log.xz

012109154.td-b3lyp_6-31+g(d).qchem.inp (generated)

012109154.td-b3lyp_6-31+g(d).gjf (generated)

012109154.td-b3lyp_6-31+g(d).firefly.inp (generated)

012109154.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012109154.mol 012109154.PUBCHEM 012109154.mol (via Jmol)
012109160.b3lyp_6-31g(d).inp

012109160.b3lyp_6-31g(d).qchem.inp (generated)

012109160.b3lyp_6-31g(d).gjf (generated)

012109160.b3lyp_6-31g(d).firefly.inp (generated)

012109160.b3lyp_6-31g(d).smash.inp (generated)

012109160.b3lyp_6-31g(d).nwchem.inp (generated) 012109160.b3lyp_6-31g(d).log.xz 012109160.td-b3lyp_6-31g+(d).inp 012109160.td-b3lyp_6-31g+(d).log.xz

012109160.td-b3lyp_6-31+g(d).qchem.inp (generated)

012109160.td-b3lyp_6-31+g(d).gjf (generated)

012109160.td-b3lyp_6-31+g(d).firefly.inp (generated)

012109160.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012109160.mol 012109160.PUBCHEM 012109160.mol (via Jmol)
012109234.b3lyp_6-31g(d).inp

012109234.b3lyp_6-31g(d).qchem.inp (generated)

012109234.b3lyp_6-31g(d).gjf (generated)

012109234.b3lyp_6-31g(d).firefly.inp (generated)

012109234.b3lyp_6-31g(d).smash.inp (generated)

012109234.b3lyp_6-31g(d).nwchem.inp (generated) 012109234.b3lyp_6-31g(d).log.xz 012109234.td-b3lyp_6-31g+(d).inp 012109234.td-b3lyp_6-31g+(d).log.xz

012109234.td-b3lyp_6-31+g(d).qchem.inp (generated)

012109234.td-b3lyp_6-31+g(d).gjf (generated)

012109234.td-b3lyp_6-31+g(d).firefly.inp (generated)

012109234.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012109234.mol 012109234.PUBCHEM 012109234.mol (via Jmol)
012109249.b3lyp_6-31g(d).inp

012109249.b3lyp_6-31g(d).qchem.inp (generated)

012109249.b3lyp_6-31g(d).gjf (generated)

012109249.b3lyp_6-31g(d).firefly.inp (generated)

012109249.b3lyp_6-31g(d).smash.inp (generated)

012109249.b3lyp_6-31g(d).nwchem.inp (generated) 012109249.b3lyp_6-31g(d).log.xz 012109249.td-b3lyp_6-31g+(d).inp 012109249.td-b3lyp_6-31g+(d).log.xz

012109249.td-b3lyp_6-31+g(d).qchem.inp (generated)

012109249.td-b3lyp_6-31+g(d).gjf (generated)

012109249.td-b3lyp_6-31+g(d).firefly.inp (generated)

012109249.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012109249.mol 012109249.PUBCHEM 012109249.mol (via Jmol)
012109354.b3lyp_6-31g(d).inp

012109354.b3lyp_6-31g(d).qchem.inp (generated)

012109354.b3lyp_6-31g(d).gjf (generated)

012109354.b3lyp_6-31g(d).firefly.inp (generated)

012109354.b3lyp_6-31g(d).smash.inp (generated)

012109354.b3lyp_6-31g(d).nwchem.inp (generated) 012109354.b3lyp_6-31g(d).log.xz 012109354.td-b3lyp_6-31g+(d).inp 012109354.td-b3lyp_6-31g+(d).log.xz

012109354.td-b3lyp_6-31+g(d).qchem.inp (generated)

012109354.td-b3lyp_6-31+g(d).gjf (generated)

012109354.td-b3lyp_6-31+g(d).firefly.inp (generated)

012109354.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012109354.mol 012109354.PUBCHEM 012109354.mol (via Jmol)
012109360.b3lyp_6-31g(d).inp

012109360.b3lyp_6-31g(d).qchem.inp (generated)

012109360.b3lyp_6-31g(d).gjf (generated)

012109360.b3lyp_6-31g(d).firefly.inp (generated)

012109360.b3lyp_6-31g(d).smash.inp (generated)

012109360.b3lyp_6-31g(d).nwchem.inp (generated) 012109360.b3lyp_6-31g(d).log.xz 012109360.mol 012109360.PUBCHEM 012109360.mol (via Jmol)
012109445.b3lyp_6-31g(d).inp

012109445.b3lyp_6-31g(d).qchem.inp (generated)

012109445.b3lyp_6-31g(d).gjf (generated)

012109445.b3lyp_6-31g(d).firefly.inp (generated)

012109445.b3lyp_6-31g(d).smash.inp (generated)

012109445.b3lyp_6-31g(d).nwchem.inp (generated) 012109445.b3lyp_6-31g(d).log.xz 012109445.td-b3lyp_6-31g+(d).inp 012109445.td-b3lyp_6-31g+(d).log.xz

012109445.td-b3lyp_6-31+g(d).qchem.inp (generated)

012109445.td-b3lyp_6-31+g(d).gjf (generated)

012109445.td-b3lyp_6-31+g(d).firefly.inp (generated)

012109445.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012109445.mol 012109445.PUBCHEM 012109445.mol (via Jmol)
012109446.b3lyp_6-31g(d).inp

012109446.b3lyp_6-31g(d).qchem.inp (generated)

012109446.b3lyp_6-31g(d).gjf (generated)

012109446.b3lyp_6-31g(d).firefly.inp (generated)

012109446.b3lyp_6-31g(d).smash.inp (generated)

012109446.b3lyp_6-31g(d).nwchem.inp (generated) 012109446.b3lyp_6-31g(d).log.xz 012109446.td-b3lyp_6-31g+(d).inp 012109446.td-b3lyp_6-31g+(d).log.xz

012109446.td-b3lyp_6-31+g(d).qchem.inp (generated)

012109446.td-b3lyp_6-31+g(d).gjf (generated)

012109446.td-b3lyp_6-31+g(d).firefly.inp (generated)

012109446.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012109446.mol 012109446.PUBCHEM 012109446.mol (via Jmol)
012109447.b3lyp_6-31g(d).inp

012109447.b3lyp_6-31g(d).qchem.inp (generated)

012109447.b3lyp_6-31g(d).gjf (generated)

012109447.b3lyp_6-31g(d).firefly.inp (generated)

012109447.b3lyp_6-31g(d).smash.inp (generated)

012109447.b3lyp_6-31g(d).nwchem.inp (generated) 012109447.b3lyp_6-31g(d).log.xz 012109447.td-b3lyp_6-31g+(d).inp 012109447.td-b3lyp_6-31g+(d).log.xz

012109447.td-b3lyp_6-31+g(d).qchem.inp (generated)

012109447.td-b3lyp_6-31+g(d).gjf (generated)

012109447.td-b3lyp_6-31+g(d).firefly.inp (generated)

012109447.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012109447.mol 012109447.PUBCHEM 012109447.mol (via Jmol)
012109448.b3lyp_6-31g(d).inp

012109448.b3lyp_6-31g(d).qchem.inp (generated)

012109448.b3lyp_6-31g(d).gjf (generated)

012109448.b3lyp_6-31g(d).firefly.inp (generated)

012109448.b3lyp_6-31g(d).smash.inp (generated)

012109448.b3lyp_6-31g(d).nwchem.inp (generated) 012109448.b3lyp_6-31g(d).log.xz 012109448.mol 012109448.PUBCHEM 012109448.mol (via Jmol)
012109449.b3lyp_6-31g(d).inp

012109449.b3lyp_6-31g(d).qchem.inp (generated)

012109449.b3lyp_6-31g(d).gjf (generated)

012109449.b3lyp_6-31g(d).firefly.inp (generated)

012109449.b3lyp_6-31g(d).smash.inp (generated)

012109449.b3lyp_6-31g(d).nwchem.inp (generated) 012109449.b3lyp_6-31g(d).log.xz 012109449.td-b3lyp_6-31g+(d).inp 012109449.td-b3lyp_6-31g+(d).log.xz

012109449.td-b3lyp_6-31+g(d).qchem.inp (generated)

012109449.td-b3lyp_6-31+g(d).gjf (generated)

012109449.td-b3lyp_6-31+g(d).firefly.inp (generated)

012109449.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012109449.mol 012109449.PUBCHEM 012109449.mol (via Jmol)
012109450.b3lyp_6-31g(d).inp

012109450.b3lyp_6-31g(d).qchem.inp (generated)

012109450.b3lyp_6-31g(d).gjf (generated)

012109450.b3lyp_6-31g(d).firefly.inp (generated)

012109450.b3lyp_6-31g(d).smash.inp (generated)

012109450.b3lyp_6-31g(d).nwchem.inp (generated) 012109450.b3lyp_6-31g(d).log.xz 012109450.td-b3lyp_6-31g+(d).inp 012109450.td-b3lyp_6-31g+(d).log.xz

012109450.td-b3lyp_6-31+g(d).qchem.inp (generated)

012109450.td-b3lyp_6-31+g(d).gjf (generated)

012109450.td-b3lyp_6-31+g(d).firefly.inp (generated)

012109450.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012109450.mol 012109450.PUBCHEM 012109450.mol (via Jmol)
012109454.b3lyp_6-31g(d).inp

012109454.b3lyp_6-31g(d).qchem.inp (generated)

012109454.b3lyp_6-31g(d).gjf (generated)

012109454.b3lyp_6-31g(d).firefly.inp (generated)

012109454.b3lyp_6-31g(d).smash.inp (generated)

012109454.b3lyp_6-31g(d).nwchem.inp (generated) 012109454.b3lyp_6-31g(d).log.xz 012109454.td-b3lyp_6-31g+(d).inp 012109454.td-b3lyp_6-31g+(d).log.xz

012109454.td-b3lyp_6-31+g(d).qchem.inp (generated)

012109454.td-b3lyp_6-31+g(d).gjf (generated)

012109454.td-b3lyp_6-31+g(d).firefly.inp (generated)

012109454.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012109454.mol 012109454.PUBCHEM 012109454.mol (via Jmol)
012109460.b3lyp_6-31g(d).inp

012109460.b3lyp_6-31g(d).qchem.inp (generated)

012109460.b3lyp_6-31g(d).gjf (generated)

012109460.b3lyp_6-31g(d).firefly.inp (generated)

012109460.b3lyp_6-31g(d).smash.inp (generated)

012109460.b3lyp_6-31g(d).nwchem.inp (generated) 012109460.b3lyp_6-31g(d).log.xz 012109460.mol 012109460.PUBCHEM 012109460.mol (via Jmol)
012109469.b3lyp_6-31g(d).inp

012109469.b3lyp_6-31g(d).qchem.inp (generated)

012109469.b3lyp_6-31g(d).gjf (generated)

012109469.b3lyp_6-31g(d).firefly.inp (generated)

012109469.b3lyp_6-31g(d).smash.inp (generated)

012109469.b3lyp_6-31g(d).nwchem.inp (generated) 012109469.b3lyp_6-31g(d).log.xz 012109469.td-b3lyp_6-31g+(d).inp 012109469.td-b3lyp_6-31g+(d).log.xz

012109469.td-b3lyp_6-31+g(d).qchem.inp (generated)

012109469.td-b3lyp_6-31+g(d).gjf (generated)

012109469.td-b3lyp_6-31+g(d).firefly.inp (generated)

012109469.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012109469.mol 012109469.PUBCHEM 012109469.mol (via Jmol)
012109483.b3lyp_6-31g(d).inp

012109483.b3lyp_6-31g(d).qchem.inp (generated)

012109483.b3lyp_6-31g(d).gjf (generated)

012109483.b3lyp_6-31g(d).firefly.inp (generated)

012109483.b3lyp_6-31g(d).smash.inp (generated)

012109483.b3lyp_6-31g(d).nwchem.inp (generated) 012109483.b3lyp_6-31g(d).log.xz 012109483.td-b3lyp_6-31g+(d).inp 012109483.td-b3lyp_6-31g+(d).log.xz

012109483.td-b3lyp_6-31+g(d).qchem.inp (generated)

012109483.td-b3lyp_6-31+g(d).gjf (generated)

012109483.td-b3lyp_6-31+g(d).firefly.inp (generated)

012109483.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012109483.mol 012109483.PUBCHEM 012109483.mol (via Jmol)
012109486.b3lyp_6-31g(d).inp

012109486.b3lyp_6-31g(d).qchem.inp (generated)

012109486.b3lyp_6-31g(d).gjf (generated)

012109486.b3lyp_6-31g(d).firefly.inp (generated)

012109486.b3lyp_6-31g(d).smash.inp (generated)

012109486.b3lyp_6-31g(d).nwchem.inp (generated) 012109486.b3lyp_6-31g(d).log.xz 012109486.td-b3lyp_6-31g+(d).inp 012109486.td-b3lyp_6-31g+(d).log.xz

012109486.td-b3lyp_6-31+g(d).qchem.inp (generated)

012109486.td-b3lyp_6-31+g(d).gjf (generated)

012109486.td-b3lyp_6-31+g(d).firefly.inp (generated)

012109486.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012109486.mol 012109486.PUBCHEM 012109486.mol (via Jmol)
012109490.b3lyp_6-31g(d).inp

012109490.b3lyp_6-31g(d).qchem.inp (generated)

012109490.b3lyp_6-31g(d).gjf (generated)

012109490.b3lyp_6-31g(d).firefly.inp (generated)

012109490.b3lyp_6-31g(d).smash.inp (generated)

012109490.b3lyp_6-31g(d).nwchem.inp (generated) 012109490.b3lyp_6-31g(d).log.xz 012109490.td-b3lyp_6-31g+(d).inp 012109490.td-b3lyp_6-31g+(d).log.xz

012109490.td-b3lyp_6-31+g(d).qchem.inp (generated)

012109490.td-b3lyp_6-31+g(d).gjf (generated)

012109490.td-b3lyp_6-31+g(d).firefly.inp (generated)

012109490.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012109490.mol 012109490.PUBCHEM 012109490.mol (via Jmol)
012109595.b3lyp_6-31g(d).inp

012109595.b3lyp_6-31g(d).qchem.inp (generated)

012109595.b3lyp_6-31g(d).gjf (generated)

012109595.b3lyp_6-31g(d).firefly.inp (generated)

012109595.b3lyp_6-31g(d).smash.inp (generated)

012109595.b3lyp_6-31g(d).nwchem.inp (generated) 012109595.b3lyp_6-31g(d).log.xz 012109595.mol 012109595.PUBCHEM 012109595.mol (via Jmol)
012109704.b3lyp_6-31g(d).inp

012109704.b3lyp_6-31g(d).qchem.inp (generated)

012109704.b3lyp_6-31g(d).gjf (generated)

012109704.b3lyp_6-31g(d).firefly.inp (generated)

012109704.b3lyp_6-31g(d).smash.inp (generated)

012109704.b3lyp_6-31g(d).nwchem.inp (generated) 012109704.b3lyp_6-31g(d).log.xz 012109704.td-b3lyp_6-31g+(d).inp 012109704.td-b3lyp_6-31g+(d).log.xz

012109704.td-b3lyp_6-31+g(d).qchem.inp (generated)

012109704.td-b3lyp_6-31+g(d).gjf (generated)

012109704.td-b3lyp_6-31+g(d).firefly.inp (generated)

012109704.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012109704.mol 012109704.PUBCHEM 012109704.mol (via Jmol)
012109705.b3lyp_6-31g(d).inp

012109705.b3lyp_6-31g(d).qchem.inp (generated)

012109705.b3lyp_6-31g(d).gjf (generated)

012109705.b3lyp_6-31g(d).firefly.inp (generated)

012109705.b3lyp_6-31g(d).smash.inp (generated)

012109705.b3lyp_6-31g(d).nwchem.inp (generated) 012109705.b3lyp_6-31g(d).log.xz 012109705.td-b3lyp_6-31g+(d).inp 012109705.td-b3lyp_6-31g+(d).log.xz

012109705.td-b3lyp_6-31+g(d).qchem.inp (generated)

012109705.td-b3lyp_6-31+g(d).gjf (generated)

012109705.td-b3lyp_6-31+g(d).firefly.inp (generated)

012109705.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012109705.mol 012109705.PUBCHEM 012109705.mol (via Jmol)
012109708.b3lyp_6-31g(d).inp

012109708.b3lyp_6-31g(d).qchem.inp (generated)

012109708.b3lyp_6-31g(d).gjf (generated)

012109708.b3lyp_6-31g(d).firefly.inp (generated)

012109708.b3lyp_6-31g(d).smash.inp (generated)

012109708.b3lyp_6-31g(d).nwchem.inp (generated) 012109708.b3lyp_6-31g(d).log.xz 012109708.td-b3lyp_6-31g+(d).inp 012109708.td-b3lyp_6-31g+(d).log.xz

012109708.td-b3lyp_6-31+g(d).qchem.inp (generated)

012109708.td-b3lyp_6-31+g(d).gjf (generated)

012109708.td-b3lyp_6-31+g(d).firefly.inp (generated)

012109708.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012109708.mol 012109708.PUBCHEM 012109708.mol (via Jmol)
012109735.b3lyp_6-31g(d).inp

012109735.b3lyp_6-31g(d).qchem.inp (generated)

012109735.b3lyp_6-31g(d).gjf (generated)

012109735.b3lyp_6-31g(d).firefly.inp (generated)

012109735.b3lyp_6-31g(d).smash.inp (generated)

012109735.b3lyp_6-31g(d).nwchem.inp (generated) 012109735.b3lyp_6-31g(d).log.xz 012109735.td-b3lyp_6-31g+(d).inp 012109735.td-b3lyp_6-31g+(d).log.xz

012109735.td-b3lyp_6-31+g(d).qchem.inp (generated)

012109735.td-b3lyp_6-31+g(d).gjf (generated)

012109735.td-b3lyp_6-31+g(d).firefly.inp (generated)

012109735.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012109735.mol 012109735.PUBCHEM 012109735.mol (via Jmol)
012109740.b3lyp_6-31g(d).inp

012109740.b3lyp_6-31g(d).qchem.inp (generated)

012109740.b3lyp_6-31g(d).gjf (generated)

012109740.b3lyp_6-31g(d).firefly.inp (generated)

012109740.b3lyp_6-31g(d).smash.inp (generated)

012109740.b3lyp_6-31g(d).nwchem.inp (generated) 012109740.b3lyp_6-31g(d).log.xz 012109740.td-b3lyp_6-31g+(d).inp 012109740.td-b3lyp_6-31g+(d).log.xz

012109740.td-b3lyp_6-31+g(d).qchem.inp (generated)

012109740.td-b3lyp_6-31+g(d).gjf (generated)

012109740.td-b3lyp_6-31+g(d).firefly.inp (generated)

012109740.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012109740.mol 012109740.PUBCHEM 012109740.mol (via Jmol)
012109754.b3lyp_6-31g(d).inp

012109754.b3lyp_6-31g(d).qchem.inp (generated)

012109754.b3lyp_6-31g(d).gjf (generated)

012109754.b3lyp_6-31g(d).firefly.inp (generated)

012109754.b3lyp_6-31g(d).smash.inp (generated)

012109754.b3lyp_6-31g(d).nwchem.inp (generated) 012109754.b3lyp_6-31g(d).log.xz 012109754.td-b3lyp_6-31g+(d).inp 012109754.td-b3lyp_6-31g+(d).log.xz

012109754.td-b3lyp_6-31+g(d).qchem.inp (generated)

012109754.td-b3lyp_6-31+g(d).gjf (generated)

012109754.td-b3lyp_6-31+g(d).firefly.inp (generated)

012109754.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012109754.mol 012109754.PUBCHEM 012109754.mol (via Jmol)
012109757.b3lyp_6-31g(d).inp

012109757.b3lyp_6-31g(d).qchem.inp (generated)

012109757.b3lyp_6-31g(d).gjf (generated)

012109757.b3lyp_6-31g(d).firefly.inp (generated)

012109757.b3lyp_6-31g(d).smash.inp (generated)

012109757.b3lyp_6-31g(d).nwchem.inp (generated) 012109757.b3lyp_6-31g(d).log.xz 012109757.mol 012109757.PUBCHEM 012109757.mol (via Jmol)
012109769.b3lyp_6-31g(d).inp

012109769.b3lyp_6-31g(d).qchem.inp (generated)

012109769.b3lyp_6-31g(d).gjf (generated)

012109769.b3lyp_6-31g(d).firefly.inp (generated)

012109769.b3lyp_6-31g(d).smash.inp (generated)

012109769.b3lyp_6-31g(d).nwchem.inp (generated) 012109769.b3lyp_6-31g(d).log.xz 012109769.mol 012109769.PUBCHEM 012109769.mol (via Jmol)
012109804.b3lyp_6-31g(d).inp

012109804.b3lyp_6-31g(d).qchem.inp (generated)

012109804.b3lyp_6-31g(d).gjf (generated)

012109804.b3lyp_6-31g(d).firefly.inp (generated)

012109804.b3lyp_6-31g(d).smash.inp (generated)

012109804.b3lyp_6-31g(d).nwchem.inp (generated) 012109804.b3lyp_6-31g(d).log.xz 012109804.td-b3lyp_6-31g+(d).inp 012109804.td-b3lyp_6-31g+(d).log.xz

012109804.td-b3lyp_6-31+g(d).qchem.inp (generated)

012109804.td-b3lyp_6-31+g(d).gjf (generated)

012109804.td-b3lyp_6-31+g(d).firefly.inp (generated)

012109804.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012109804.mol 012109804.PUBCHEM 012109804.mol (via Jmol)
012109812.b3lyp_6-31g(d).inp

012109812.b3lyp_6-31g(d).qchem.inp (generated)

012109812.b3lyp_6-31g(d).gjf (generated)

012109812.b3lyp_6-31g(d).firefly.inp (generated)

012109812.b3lyp_6-31g(d).smash.inp (generated)

012109812.b3lyp_6-31g(d).nwchem.inp (generated) 012109812.b3lyp_6-31g(d).log.xz 012109812.td-b3lyp_6-31g+(d).inp 012109812.td-b3lyp_6-31g+(d).log.xz

012109812.td-b3lyp_6-31+g(d).qchem.inp (generated)

012109812.td-b3lyp_6-31+g(d).gjf (generated)

012109812.td-b3lyp_6-31+g(d).firefly.inp (generated)

012109812.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012109812.mol 012109812.PUBCHEM 012109812.mol (via Jmol)
012109817.b3lyp_6-31g(d).inp

012109817.b3lyp_6-31g(d).qchem.inp (generated)

012109817.b3lyp_6-31g(d).gjf (generated)

012109817.b3lyp_6-31g(d).firefly.inp (generated)

012109817.b3lyp_6-31g(d).smash.inp (generated)

012109817.b3lyp_6-31g(d).nwchem.inp (generated) 012109817.b3lyp_6-31g(d).log.xz 012109817.td-b3lyp_6-31g+(d).inp 012109817.td-b3lyp_6-31g+(d).log.xz

012109817.td-b3lyp_6-31+g(d).qchem.inp (generated)

012109817.td-b3lyp_6-31+g(d).gjf (generated)

012109817.td-b3lyp_6-31+g(d).firefly.inp (generated)

012109817.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012109817.mol 012109817.PUBCHEM 012109817.mol (via Jmol)
012109855.b3lyp_6-31g(d).inp

012109855.b3lyp_6-31g(d).qchem.inp (generated)

012109855.b3lyp_6-31g(d).gjf (generated)

012109855.b3lyp_6-31g(d).firefly.inp (generated)

012109855.b3lyp_6-31g(d).smash.inp (generated)

012109855.b3lyp_6-31g(d).nwchem.inp (generated) 012109855.b3lyp_6-31g(d).log.xz 012109855.td-b3lyp_6-31g+(d).inp 012109855.td-b3lyp_6-31g+(d).log.xz

012109855.td-b3lyp_6-31+g(d).qchem.inp (generated)

012109855.td-b3lyp_6-31+g(d).gjf (generated)

012109855.td-b3lyp_6-31+g(d).firefly.inp (generated)

012109855.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012109855.mol 012109855.PUBCHEM 012109855.mol (via Jmol)
012109864.b3lyp_6-31g(d).inp

012109864.b3lyp_6-31g(d).qchem.inp (generated)

012109864.b3lyp_6-31g(d).gjf (generated)

012109864.b3lyp_6-31g(d).firefly.inp (generated)

012109864.b3lyp_6-31g(d).smash.inp (generated)

012109864.b3lyp_6-31g(d).nwchem.inp (generated) 012109864.b3lyp_6-31g(d).log.xz 012109864.td-b3lyp_6-31g+(d).inp 012109864.td-b3lyp_6-31g+(d).log.xz

012109864.td-b3lyp_6-31+g(d).qchem.inp (generated)

012109864.td-b3lyp_6-31+g(d).gjf (generated)

012109864.td-b3lyp_6-31+g(d).firefly.inp (generated)

012109864.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012109864.mol 012109864.PUBCHEM 012109864.mol (via Jmol)
012109865.b3lyp_6-31g(d).inp

012109865.b3lyp_6-31g(d).qchem.inp (generated)

012109865.b3lyp_6-31g(d).gjf (generated)

012109865.b3lyp_6-31g(d).firefly.inp (generated)

012109865.b3lyp_6-31g(d).smash.inp (generated)

012109865.b3lyp_6-31g(d).nwchem.inp (generated) 012109865.b3lyp_6-31g(d).log.xz 012109865.td-b3lyp_6-31g+(d).inp 012109865.td-b3lyp_6-31g+(d).log.xz

012109865.td-b3lyp_6-31+g(d).qchem.inp (generated)

012109865.td-b3lyp_6-31+g(d).gjf (generated)

012109865.td-b3lyp_6-31+g(d).firefly.inp (generated)

012109865.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012109865.mol 012109865.PUBCHEM 012109865.mol (via Jmol)
012109866.b3lyp_6-31g(d).inp

012109866.b3lyp_6-31g(d).qchem.inp (generated)

012109866.b3lyp_6-31g(d).gjf (generated)

012109866.b3lyp_6-31g(d).firefly.inp (generated)

012109866.b3lyp_6-31g(d).smash.inp (generated)

012109866.b3lyp_6-31g(d).nwchem.inp (generated) 012109866.b3lyp_6-31g(d).log.xz 012109866.td-b3lyp_6-31g+(d).inp 012109866.td-b3lyp_6-31g+(d).log.xz

012109866.td-b3lyp_6-31+g(d).qchem.inp (generated)

012109866.td-b3lyp_6-31+g(d).gjf (generated)

012109866.td-b3lyp_6-31+g(d).firefly.inp (generated)

012109866.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012109866.mol 012109866.PUBCHEM 012109866.mol (via Jmol)
012109867.b3lyp_6-31g(d).inp

012109867.b3lyp_6-31g(d).qchem.inp (generated)

012109867.b3lyp_6-31g(d).gjf (generated)

012109867.b3lyp_6-31g(d).firefly.inp (generated)

012109867.b3lyp_6-31g(d).smash.inp (generated)

012109867.b3lyp_6-31g(d).nwchem.inp (generated) 012109867.b3lyp_6-31g(d).log.xz 012109867.td-b3lyp_6-31g+(d).inp 012109867.td-b3lyp_6-31g+(d).log.xz

012109867.td-b3lyp_6-31+g(d).qchem.inp (generated)

012109867.td-b3lyp_6-31+g(d).gjf (generated)

012109867.td-b3lyp_6-31+g(d).firefly.inp (generated)

012109867.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012109867.mol 012109867.PUBCHEM 012109867.mol (via Jmol)
012109868.b3lyp_6-31g(d).inp

012109868.b3lyp_6-31g(d).qchem.inp (generated)

012109868.b3lyp_6-31g(d).gjf (generated)

012109868.b3lyp_6-31g(d).firefly.inp (generated)

012109868.b3lyp_6-31g(d).smash.inp (generated)

012109868.b3lyp_6-31g(d).nwchem.inp (generated) 012109868.b3lyp_6-31g(d).log.xz 012109868.td-b3lyp_6-31g+(d).inp 012109868.td-b3lyp_6-31g+(d).log.xz

012109868.td-b3lyp_6-31+g(d).qchem.inp (generated)

012109868.td-b3lyp_6-31+g(d).gjf (generated)

012109868.td-b3lyp_6-31+g(d).firefly.inp (generated)

012109868.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012109868.mol 012109868.PUBCHEM 012109868.mol (via Jmol)
012109869.b3lyp_6-31g(d).inp

012109869.b3lyp_6-31g(d).qchem.inp (generated)

012109869.b3lyp_6-31g(d).gjf (generated)

012109869.b3lyp_6-31g(d).firefly.inp (generated)

012109869.b3lyp_6-31g(d).smash.inp (generated)

012109869.b3lyp_6-31g(d).nwchem.inp (generated) 012109869.b3lyp_6-31g(d).log.xz 012109869.td-b3lyp_6-31g+(d).inp 012109869.td-b3lyp_6-31g+(d).log.xz

012109869.td-b3lyp_6-31+g(d).qchem.inp (generated)

012109869.td-b3lyp_6-31+g(d).gjf (generated)

012109869.td-b3lyp_6-31+g(d).firefly.inp (generated)

012109869.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012109869.mol 012109869.PUBCHEM 012109869.mol (via Jmol)
012109886.b3lyp_6-31g(d).inp

012109886.b3lyp_6-31g(d).qchem.inp (generated)

012109886.b3lyp_6-31g(d).gjf (generated)

012109886.b3lyp_6-31g(d).firefly.inp (generated)

012109886.b3lyp_6-31g(d).smash.inp (generated)

012109886.b3lyp_6-31g(d).nwchem.inp (generated) 012109886.b3lyp_6-31g(d).log.xz 012109886.td-b3lyp_6-31g+(d).inp 012109886.td-b3lyp_6-31g+(d).log.xz

012109886.td-b3lyp_6-31+g(d).qchem.inp (generated)

012109886.td-b3lyp_6-31+g(d).gjf (generated)

012109886.td-b3lyp_6-31+g(d).firefly.inp (generated)

012109886.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012109886.mol 012109886.PUBCHEM 012109886.mol (via Jmol)
012109942.b3lyp_6-31g(d).inp

012109942.b3lyp_6-31g(d).qchem.inp (generated)

012109942.b3lyp_6-31g(d).gjf (generated)

012109942.b3lyp_6-31g(d).firefly.inp (generated)

012109942.b3lyp_6-31g(d).smash.inp (generated)

012109942.b3lyp_6-31g(d).nwchem.inp (generated) 012109942.b3lyp_6-31g(d).log.xz 012109942.mol 012109942.PUBCHEM 012109942.mol (via Jmol)
012109944.b3lyp_6-31g(d).inp

012109944.b3lyp_6-31g(d).qchem.inp (generated)

012109944.b3lyp_6-31g(d).gjf (generated)

012109944.b3lyp_6-31g(d).firefly.inp (generated)

012109944.b3lyp_6-31g(d).smash.inp (generated)

012109944.b3lyp_6-31g(d).nwchem.inp (generated) 012109944.b3lyp_6-31g(d).log.xz 012109944.td-b3lyp_6-31g+(d).inp 012109944.td-b3lyp_6-31g+(d).log.xz

012109944.td-b3lyp_6-31+g(d).qchem.inp (generated)

012109944.td-b3lyp_6-31+g(d).gjf (generated)

012109944.td-b3lyp_6-31+g(d).firefly.inp (generated)

012109944.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012109944.mol 012109944.PUBCHEM 012109944.mol (via Jmol)
012109975.b3lyp_6-31g(d).inp

012109975.b3lyp_6-31g(d).qchem.inp (generated)

012109975.b3lyp_6-31g(d).gjf (generated)

012109975.b3lyp_6-31g(d).firefly.inp (generated)

012109975.b3lyp_6-31g(d).smash.inp (generated)

012109975.b3lyp_6-31g(d).nwchem.inp (generated) 012109975.b3lyp_6-31g(d).log.xz 012109975.td-b3lyp_6-31g+(d).inp 012109975.td-b3lyp_6-31g+(d).log.xz

012109975.td-b3lyp_6-31+g(d).qchem.inp (generated)

012109975.td-b3lyp_6-31+g(d).gjf (generated)

012109975.td-b3lyp_6-31+g(d).firefly.inp (generated)

012109975.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012109975.mol 012109975.PUBCHEM 012109975.mol (via Jmol)
012109977.b3lyp_6-31g(d).inp

012109977.b3lyp_6-31g(d).qchem.inp (generated)

012109977.b3lyp_6-31g(d).gjf (generated)

012109977.b3lyp_6-31g(d).firefly.inp (generated)

012109977.b3lyp_6-31g(d).smash.inp (generated)

012109977.b3lyp_6-31g(d).nwchem.inp (generated) 012109977.b3lyp_6-31g(d).log.xz 012109977.td-b3lyp_6-31g+(d).inp 012109977.td-b3lyp_6-31g+(d).log.xz

012109977.td-b3lyp_6-31+g(d).qchem.inp (generated)

012109977.td-b3lyp_6-31+g(d).gjf (generated)

012109977.td-b3lyp_6-31+g(d).firefly.inp (generated)

012109977.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012109977.mol 012109977.PUBCHEM 012109977.mol (via Jmol)
012109978.b3lyp_6-31g(d).inp

012109978.b3lyp_6-31g(d).qchem.inp (generated)

012109978.b3lyp_6-31g(d).gjf (generated)

012109978.b3lyp_6-31g(d).firefly.inp (generated)

012109978.b3lyp_6-31g(d).smash.inp (generated)

012109978.b3lyp_6-31g(d).nwchem.inp (generated) 012109978.b3lyp_6-31g(d).log.xz 012109978.td-b3lyp_6-31g+(d).inp 012109978.td-b3lyp_6-31g+(d).log.xz

012109978.td-b3lyp_6-31+g(d).qchem.inp (generated)

012109978.td-b3lyp_6-31+g(d).gjf (generated)

012109978.td-b3lyp_6-31+g(d).firefly.inp (generated)

012109978.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012109978.mol 012109978.PUBCHEM 012109978.mol (via Jmol)
012109992.b3lyp_6-31g(d).inp

012109992.b3lyp_6-31g(d).qchem.inp (generated)

012109992.b3lyp_6-31g(d).gjf (generated)

012109992.b3lyp_6-31g(d).firefly.inp (generated)

012109992.b3lyp_6-31g(d).smash.inp (generated)

012109992.b3lyp_6-31g(d).nwchem.inp (generated) 012109992.b3lyp_6-31g(d).log.xz 012109992.mol 012109992.PUBCHEM 012109992.mol (via Jmol)
012110114.b3lyp_6-31g(d).inp

012110114.b3lyp_6-31g(d).qchem.inp (generated)

012110114.b3lyp_6-31g(d).gjf (generated)

012110114.b3lyp_6-31g(d).firefly.inp (generated)

012110114.b3lyp_6-31g(d).smash.inp (generated)

012110114.b3lyp_6-31g(d).nwchem.inp (generated) 012110114.b3lyp_6-31g(d).log.xz 012110114.td-b3lyp_6-31g+(d).inp 012110114.td-b3lyp_6-31g+(d).log.xz

012110114.td-b3lyp_6-31+g(d).qchem.inp (generated)

012110114.td-b3lyp_6-31+g(d).gjf (generated)

012110114.td-b3lyp_6-31+g(d).firefly.inp (generated)

012110114.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012110114.mol 012110114.PUBCHEM 012110114.mol (via Jmol)
012110166.b3lyp_6-31g(d).inp

012110166.b3lyp_6-31g(d).qchem.inp (generated)

012110166.b3lyp_6-31g(d).gjf (generated)

012110166.b3lyp_6-31g(d).firefly.inp (generated)

012110166.b3lyp_6-31g(d).smash.inp (generated)

012110166.b3lyp_6-31g(d).nwchem.inp (generated) 012110166.b3lyp_6-31g(d).log.xz 012110166.td-b3lyp_6-31g+(d).inp 012110166.td-b3lyp_6-31g+(d).log.xz

012110166.td-b3lyp_6-31+g(d).qchem.inp (generated)

012110166.td-b3lyp_6-31+g(d).gjf (generated)

012110166.td-b3lyp_6-31+g(d).firefly.inp (generated)

012110166.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012110166.mol 012110166.PUBCHEM 012110166.mol (via Jmol)
012110365.b3lyp_6-31g(d).inp

012110365.b3lyp_6-31g(d).qchem.inp (generated)

012110365.b3lyp_6-31g(d).gjf (generated)

012110365.b3lyp_6-31g(d).firefly.inp (generated)

012110365.b3lyp_6-31g(d).smash.inp (generated)

012110365.b3lyp_6-31g(d).nwchem.inp (generated) 012110365.b3lyp_6-31g(d).log.xz 012110365.td-b3lyp_6-31g+(d).inp 012110365.td-b3lyp_6-31g+(d).log.xz

012110365.td-b3lyp_6-31+g(d).qchem.inp (generated)

012110365.td-b3lyp_6-31+g(d).gjf (generated)

012110365.td-b3lyp_6-31+g(d).firefly.inp (generated)

012110365.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012110365.mol 012110365.PUBCHEM 012110365.mol (via Jmol)
012110366.b3lyp_6-31g(d).inp

012110366.b3lyp_6-31g(d).qchem.inp (generated)

012110366.b3lyp_6-31g(d).gjf (generated)

012110366.b3lyp_6-31g(d).firefly.inp (generated)

012110366.b3lyp_6-31g(d).smash.inp (generated)

012110366.b3lyp_6-31g(d).nwchem.inp (generated) 012110366.b3lyp_6-31g(d).log.xz 012110366.td-b3lyp_6-31g+(d).inp 012110366.td-b3lyp_6-31g+(d).log.xz

012110366.td-b3lyp_6-31+g(d).qchem.inp (generated)

012110366.td-b3lyp_6-31+g(d).gjf (generated)

012110366.td-b3lyp_6-31+g(d).firefly.inp (generated)

012110366.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012110366.mol 012110366.PUBCHEM 012110366.mol (via Jmol)
012110380.b3lyp_6-31g(d).inp

012110380.b3lyp_6-31g(d).qchem.inp (generated)

012110380.b3lyp_6-31g(d).gjf (generated)

012110380.b3lyp_6-31g(d).firefly.inp (generated)

012110380.b3lyp_6-31g(d).smash.inp (generated)

012110380.b3lyp_6-31g(d).nwchem.inp (generated) 012110380.b3lyp_6-31g(d).log.xz 012110380.td-b3lyp_6-31g+(d).inp 012110380.td-b3lyp_6-31g+(d).log.xz

012110380.td-b3lyp_6-31+g(d).qchem.inp (generated)

012110380.td-b3lyp_6-31+g(d).gjf (generated)

012110380.td-b3lyp_6-31+g(d).firefly.inp (generated)

012110380.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012110380.mol 012110380.PUBCHEM 012110380.mol (via Jmol)
012110454.b3lyp_6-31g(d).inp

012110454.b3lyp_6-31g(d).qchem.inp (generated)

012110454.b3lyp_6-31g(d).gjf (generated)

012110454.b3lyp_6-31g(d).firefly.inp (generated)

012110454.b3lyp_6-31g(d).smash.inp (generated)

012110454.b3lyp_6-31g(d).nwchem.inp (generated) 012110454.b3lyp_6-31g(d).log.xz 012110454.td-b3lyp_6-31g+(d).inp 012110454.td-b3lyp_6-31g+(d).log.xz

012110454.td-b3lyp_6-31+g(d).qchem.inp (generated)

012110454.td-b3lyp_6-31+g(d).gjf (generated)

012110454.td-b3lyp_6-31+g(d).firefly.inp (generated)

012110454.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012110454.mol 012110454.PUBCHEM 012110454.mol (via Jmol)
012110541.b3lyp_6-31g(d).inp

012110541.b3lyp_6-31g(d).qchem.inp (generated)

012110541.b3lyp_6-31g(d).gjf (generated)

012110541.b3lyp_6-31g(d).firefly.inp (generated)

012110541.b3lyp_6-31g(d).smash.inp (generated)

012110541.b3lyp_6-31g(d).nwchem.inp (generated) 012110541.b3lyp_6-31g(d).log.xz 012110541.td-b3lyp_6-31g+(d).inp 012110541.td-b3lyp_6-31g+(d).log.xz

012110541.td-b3lyp_6-31+g(d).qchem.inp (generated)

012110541.td-b3lyp_6-31+g(d).gjf (generated)

012110541.td-b3lyp_6-31+g(d).firefly.inp (generated)

012110541.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012110541.mol 012110541.PUBCHEM 012110541.mol (via Jmol)
012110606.b3lyp_6-31g(d).inp

012110606.b3lyp_6-31g(d).qchem.inp (generated)

012110606.b3lyp_6-31g(d).gjf (generated)

012110606.b3lyp_6-31g(d).firefly.inp (generated)

012110606.b3lyp_6-31g(d).smash.inp (generated)

012110606.b3lyp_6-31g(d).nwchem.inp (generated) 012110606.b3lyp_6-31g(d).log.xz 012110606.td-b3lyp_6-31g+(d).inp 012110606.td-b3lyp_6-31g+(d).log.xz

012110606.td-b3lyp_6-31+g(d).qchem.inp (generated)

012110606.td-b3lyp_6-31+g(d).gjf (generated)

012110606.td-b3lyp_6-31+g(d).firefly.inp (generated)

012110606.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012110606.mol 012110606.PUBCHEM 012110606.mol (via Jmol)
012110607.b3lyp_6-31g(d).inp

012110607.b3lyp_6-31g(d).qchem.inp (generated)

012110607.b3lyp_6-31g(d).gjf (generated)

012110607.b3lyp_6-31g(d).firefly.inp (generated)

012110607.b3lyp_6-31g(d).smash.inp (generated)

012110607.b3lyp_6-31g(d).nwchem.inp (generated) 012110607.b3lyp_6-31g(d).log.xz 012110607.td-b3lyp_6-31g+(d).inp 012110607.td-b3lyp_6-31g+(d).log.xz

012110607.td-b3lyp_6-31+g(d).qchem.inp (generated)

012110607.td-b3lyp_6-31+g(d).gjf (generated)

012110607.td-b3lyp_6-31+g(d).firefly.inp (generated)

012110607.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012110607.mol 012110607.PUBCHEM 012110607.mol (via Jmol)
012110739.b3lyp_6-31g(d).inp

012110739.b3lyp_6-31g(d).qchem.inp (generated)

012110739.b3lyp_6-31g(d).gjf (generated)

012110739.b3lyp_6-31g(d).firefly.inp (generated)

012110739.b3lyp_6-31g(d).smash.inp (generated)

012110739.b3lyp_6-31g(d).nwchem.inp (generated) 012110739.b3lyp_6-31g(d).log.xz 012110739.mol 012110739.PUBCHEM 012110739.mol (via Jmol)
012110747.b3lyp_6-31g(d).inp

012110747.b3lyp_6-31g(d).qchem.inp (generated)

012110747.b3lyp_6-31g(d).gjf (generated)

012110747.b3lyp_6-31g(d).firefly.inp (generated)

012110747.b3lyp_6-31g(d).smash.inp (generated)

012110747.b3lyp_6-31g(d).nwchem.inp (generated) 012110747.b3lyp_6-31g(d).log.xz 012110747.td-b3lyp_6-31g+(d).inp 012110747.td-b3lyp_6-31g+(d).log.xz

012110747.td-b3lyp_6-31+g(d).qchem.inp (generated)

012110747.td-b3lyp_6-31+g(d).gjf (generated)

012110747.td-b3lyp_6-31+g(d).firefly.inp (generated)

012110747.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012110747.mol 012110747.PUBCHEM 012110747.mol (via Jmol)
012110755.b3lyp_6-31g(d).inp

012110755.b3lyp_6-31g(d).qchem.inp (generated)

012110755.b3lyp_6-31g(d).gjf (generated)

012110755.b3lyp_6-31g(d).firefly.inp (generated)

012110755.b3lyp_6-31g(d).smash.inp (generated)

012110755.b3lyp_6-31g(d).nwchem.inp (generated) 012110755.b3lyp_6-31g(d).log.xz 012110755.td-b3lyp_6-31g+(d).inp 012110755.td-b3lyp_6-31g+(d).log.xz

012110755.td-b3lyp_6-31+g(d).qchem.inp (generated)

012110755.td-b3lyp_6-31+g(d).gjf (generated)

012110755.td-b3lyp_6-31+g(d).firefly.inp (generated)

012110755.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012110755.mol 012110755.PUBCHEM 012110755.mol (via Jmol)
012110800.b3lyp_6-31g(d).inp

012110800.b3lyp_6-31g(d).qchem.inp (generated)

012110800.b3lyp_6-31g(d).gjf (generated)

012110800.b3lyp_6-31g(d).firefly.inp (generated)

012110800.b3lyp_6-31g(d).smash.inp (generated)

012110800.b3lyp_6-31g(d).nwchem.inp (generated) 012110800.b3lyp_6-31g(d).log.xz 012110800.td-b3lyp_6-31g+(d).inp 012110800.td-b3lyp_6-31g+(d).log.xz

012110800.td-b3lyp_6-31+g(d).qchem.inp (generated)

012110800.td-b3lyp_6-31+g(d).gjf (generated)

012110800.td-b3lyp_6-31+g(d).firefly.inp (generated)

012110800.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012110800.mol 012110800.PUBCHEM 012110800.mol (via Jmol)
012110888.b3lyp_6-31g(d).inp

012110888.b3lyp_6-31g(d).qchem.inp (generated)

012110888.b3lyp_6-31g(d).gjf (generated)

012110888.b3lyp_6-31g(d).firefly.inp (generated)

012110888.b3lyp_6-31g(d).smash.inp (generated)

012110888.b3lyp_6-31g(d).nwchem.inp (generated) 012110888.b3lyp_6-31g(d).log.xz 012110888.td-b3lyp_6-31g+(d).inp 012110888.td-b3lyp_6-31g+(d).log.xz

012110888.td-b3lyp_6-31+g(d).qchem.inp (generated)

012110888.td-b3lyp_6-31+g(d).gjf (generated)

012110888.td-b3lyp_6-31+g(d).firefly.inp (generated)

012110888.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012110888.mol 012110888.PUBCHEM 012110888.mol (via Jmol)
012110907.b3lyp_6-31g(d).inp

012110907.b3lyp_6-31g(d).qchem.inp (generated)

012110907.b3lyp_6-31g(d).gjf (generated)

012110907.b3lyp_6-31g(d).firefly.inp (generated)

012110907.b3lyp_6-31g(d).smash.inp (generated)

012110907.b3lyp_6-31g(d).nwchem.inp (generated) 012110907.b3lyp_6-31g(d).log.xz 012110907.td-b3lyp_6-31g+(d).inp 012110907.td-b3lyp_6-31g+(d).log.xz

012110907.td-b3lyp_6-31+g(d).qchem.inp (generated)

012110907.td-b3lyp_6-31+g(d).gjf (generated)

012110907.td-b3lyp_6-31+g(d).firefly.inp (generated)

012110907.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012110907.mol 012110907.PUBCHEM 012110907.mol (via Jmol)
012110908.b3lyp_6-31g(d).inp

012110908.b3lyp_6-31g(d).qchem.inp (generated)

012110908.b3lyp_6-31g(d).gjf (generated)

012110908.b3lyp_6-31g(d).firefly.inp (generated)

012110908.b3lyp_6-31g(d).smash.inp (generated)

012110908.b3lyp_6-31g(d).nwchem.inp (generated) 012110908.b3lyp_6-31g(d).log.xz 012110908.td-b3lyp_6-31g+(d).inp 012110908.td-b3lyp_6-31g+(d).log.xz

012110908.td-b3lyp_6-31+g(d).qchem.inp (generated)

012110908.td-b3lyp_6-31+g(d).gjf (generated)

012110908.td-b3lyp_6-31+g(d).firefly.inp (generated)

012110908.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012110908.mol 012110908.PUBCHEM 012110908.mol (via Jmol)
012110909.b3lyp_6-31g(d).inp

012110909.b3lyp_6-31g(d).qchem.inp (generated)

012110909.b3lyp_6-31g(d).gjf (generated)

012110909.b3lyp_6-31g(d).firefly.inp (generated)

012110909.b3lyp_6-31g(d).smash.inp (generated)

012110909.b3lyp_6-31g(d).nwchem.inp (generated) 012110909.b3lyp_6-31g(d).log.xz 012110909.td-b3lyp_6-31g+(d).inp 012110909.td-b3lyp_6-31g+(d).log.xz

012110909.td-b3lyp_6-31+g(d).qchem.inp (generated)

012110909.td-b3lyp_6-31+g(d).gjf (generated)

012110909.td-b3lyp_6-31+g(d).firefly.inp (generated)

012110909.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012110909.mol 012110909.PUBCHEM 012110909.mol (via Jmol)
012110931.b3lyp_6-31g(d).inp

012110931.b3lyp_6-31g(d).qchem.inp (generated)

012110931.b3lyp_6-31g(d).gjf (generated)

012110931.b3lyp_6-31g(d).firefly.inp (generated)

012110931.b3lyp_6-31g(d).smash.inp (generated)

012110931.b3lyp_6-31g(d).nwchem.inp (generated) 012110931.b3lyp_6-31g(d).log.xz 012110931.td-b3lyp_6-31g+(d).inp 012110931.td-b3lyp_6-31g+(d).log.xz

012110931.td-b3lyp_6-31+g(d).qchem.inp (generated)

012110931.td-b3lyp_6-31+g(d).gjf (generated)

012110931.td-b3lyp_6-31+g(d).firefly.inp (generated)

012110931.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012110931.mol 012110931.PUBCHEM 012110931.mol (via Jmol)
012110932.b3lyp_6-31g(d).inp

012110932.b3lyp_6-31g(d).qchem.inp (generated)

012110932.b3lyp_6-31g(d).gjf (generated)

012110932.b3lyp_6-31g(d).firefly.inp (generated)

012110932.b3lyp_6-31g(d).smash.inp (generated)

012110932.b3lyp_6-31g(d).nwchem.inp (generated) 012110932.b3lyp_6-31g(d).log.xz 012110932.td-b3lyp_6-31g+(d).inp 012110932.td-b3lyp_6-31g+(d).log.xz

012110932.td-b3lyp_6-31+g(d).qchem.inp (generated)

012110932.td-b3lyp_6-31+g(d).gjf (generated)

012110932.td-b3lyp_6-31+g(d).firefly.inp (generated)

012110932.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012110932.mol 012110932.PUBCHEM 012110932.mol (via Jmol)
012110979.b3lyp_6-31g(d).inp

012110979.b3lyp_6-31g(d).qchem.inp (generated)

012110979.b3lyp_6-31g(d).gjf (generated)

012110979.b3lyp_6-31g(d).firefly.inp (generated)

012110979.b3lyp_6-31g(d).smash.inp (generated)

012110979.b3lyp_6-31g(d).nwchem.inp (generated) 012110979.b3lyp_6-31g(d).log.xz 012110979.td-b3lyp_6-31g+(d).inp 012110979.td-b3lyp_6-31g+(d).log.xz

012110979.td-b3lyp_6-31+g(d).qchem.inp (generated)

012110979.td-b3lyp_6-31+g(d).gjf (generated)

012110979.td-b3lyp_6-31+g(d).firefly.inp (generated)

012110979.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012110979.mol 012110979.PUBCHEM 012110979.mol (via Jmol)
012111022.b3lyp_6-31g(d).inp

012111022.b3lyp_6-31g(d).qchem.inp (generated)

012111022.b3lyp_6-31g(d).gjf (generated)

012111022.b3lyp_6-31g(d).firefly.inp (generated)

012111022.b3lyp_6-31g(d).smash.inp (generated)

012111022.b3lyp_6-31g(d).nwchem.inp (generated) 012111022.b3lyp_6-31g(d).log.xz 012111022.td-b3lyp_6-31g+(d).inp 012111022.td-b3lyp_6-31g+(d).log.xz

012111022.td-b3lyp_6-31+g(d).qchem.inp (generated)

012111022.td-b3lyp_6-31+g(d).gjf (generated)

012111022.td-b3lyp_6-31+g(d).firefly.inp (generated)

012111022.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012111022.mol 012111022.PUBCHEM 012111022.mol (via Jmol)
012111038.b3lyp_6-31g(d).inp

012111038.b3lyp_6-31g(d).qchem.inp (generated)

012111038.b3lyp_6-31g(d).gjf (generated)

012111038.b3lyp_6-31g(d).firefly.inp (generated)

012111038.b3lyp_6-31g(d).smash.inp (generated)

012111038.b3lyp_6-31g(d).nwchem.inp (generated) 012111038.b3lyp_6-31g(d).log.xz 012111038.td-b3lyp_6-31g+(d).inp 012111038.td-b3lyp_6-31g+(d).log.xz

012111038.td-b3lyp_6-31+g(d).qchem.inp (generated)

012111038.td-b3lyp_6-31+g(d).gjf (generated)

012111038.td-b3lyp_6-31+g(d).firefly.inp (generated)

012111038.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012111038.mol 012111038.PUBCHEM 012111038.mol (via Jmol)
012111040.b3lyp_6-31g(d).inp

012111040.b3lyp_6-31g(d).qchem.inp (generated)

012111040.b3lyp_6-31g(d).gjf (generated)

012111040.b3lyp_6-31g(d).firefly.inp (generated)

012111040.b3lyp_6-31g(d).smash.inp (generated)

012111040.b3lyp_6-31g(d).nwchem.inp (generated) 012111040.b3lyp_6-31g(d).log.xz 012111040.td-b3lyp_6-31g+(d).inp 012111040.td-b3lyp_6-31g+(d).log.xz

012111040.td-b3lyp_6-31+g(d).qchem.inp (generated)

012111040.td-b3lyp_6-31+g(d).gjf (generated)

012111040.td-b3lyp_6-31+g(d).firefly.inp (generated)

012111040.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012111040.mol 012111040.PUBCHEM 012111040.mol (via Jmol)
012111046.b3lyp_6-31g(d).inp

012111046.b3lyp_6-31g(d).qchem.inp (generated)

012111046.b3lyp_6-31g(d).gjf (generated)

012111046.b3lyp_6-31g(d).firefly.inp (generated)

012111046.b3lyp_6-31g(d).smash.inp (generated)

012111046.b3lyp_6-31g(d).nwchem.inp (generated) 012111046.b3lyp_6-31g(d).log.xz 012111046.td-b3lyp_6-31g+(d).inp 012111046.td-b3lyp_6-31g+(d).log.xz

012111046.td-b3lyp_6-31+g(d).qchem.inp (generated)

012111046.td-b3lyp_6-31+g(d).gjf (generated)

012111046.td-b3lyp_6-31+g(d).firefly.inp (generated)

012111046.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012111046.mol 012111046.PUBCHEM 012111046.mol (via Jmol)
012111050.b3lyp_6-31g(d).inp

012111050.b3lyp_6-31g(d).qchem.inp (generated)

012111050.b3lyp_6-31g(d).gjf (generated)

012111050.b3lyp_6-31g(d).firefly.inp (generated)

012111050.b3lyp_6-31g(d).smash.inp (generated)

012111050.b3lyp_6-31g(d).nwchem.inp (generated) 012111050.b3lyp_6-31g(d).log.xz 012111050.td-b3lyp_6-31g+(d).inp 012111050.td-b3lyp_6-31g+(d).log.xz

012111050.td-b3lyp_6-31+g(d).qchem.inp (generated)

012111050.td-b3lyp_6-31+g(d).gjf (generated)

012111050.td-b3lyp_6-31+g(d).firefly.inp (generated)

012111050.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012111050.mol 012111050.PUBCHEM 012111050.mol (via Jmol)
012111051.b3lyp_6-31g(d).inp

012111051.b3lyp_6-31g(d).qchem.inp (generated)

012111051.b3lyp_6-31g(d).gjf (generated)

012111051.b3lyp_6-31g(d).firefly.inp (generated)

012111051.b3lyp_6-31g(d).smash.inp (generated)

012111051.b3lyp_6-31g(d).nwchem.inp (generated) 012111051.b3lyp_6-31g(d).log.xz 012111051.mol 012111051.PUBCHEM 012111051.mol (via Jmol)
012111081.b3lyp_6-31g(d).inp

012111081.b3lyp_6-31g(d).qchem.inp (generated)

012111081.b3lyp_6-31g(d).gjf (generated)

012111081.b3lyp_6-31g(d).firefly.inp (generated)

012111081.b3lyp_6-31g(d).smash.inp (generated)

012111081.b3lyp_6-31g(d).nwchem.inp (generated) 012111081.b3lyp_6-31g(d).log.xz 012111081.mol 012111081.PUBCHEM 012111081.mol (via Jmol)
012111082.b3lyp_6-31g(d).inp

012111082.b3lyp_6-31g(d).qchem.inp (generated)

012111082.b3lyp_6-31g(d).gjf (generated)

012111082.b3lyp_6-31g(d).firefly.inp (generated)

012111082.b3lyp_6-31g(d).smash.inp (generated)

012111082.b3lyp_6-31g(d).nwchem.inp (generated) 012111082.b3lyp_6-31g(d).log.xz 012111082.td-b3lyp_6-31g+(d).inp 012111082.td-b3lyp_6-31g+(d).log.xz

012111082.td-b3lyp_6-31+g(d).qchem.inp (generated)

012111082.td-b3lyp_6-31+g(d).gjf (generated)

012111082.td-b3lyp_6-31+g(d).firefly.inp (generated)

012111082.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012111082.mol 012111082.PUBCHEM 012111082.mol (via Jmol)
012111083.b3lyp_6-31g(d).inp

012111083.b3lyp_6-31g(d).qchem.inp (generated)

012111083.b3lyp_6-31g(d).gjf (generated)

012111083.b3lyp_6-31g(d).firefly.inp (generated)

012111083.b3lyp_6-31g(d).smash.inp (generated)

012111083.b3lyp_6-31g(d).nwchem.inp (generated) 012111083.b3lyp_6-31g(d).log.xz 012111083.td-b3lyp_6-31g+(d).inp 012111083.td-b3lyp_6-31g+(d).log.xz

012111083.td-b3lyp_6-31+g(d).qchem.inp (generated)

012111083.td-b3lyp_6-31+g(d).gjf (generated)

012111083.td-b3lyp_6-31+g(d).firefly.inp (generated)

012111083.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012111083.mol 012111083.PUBCHEM 012111083.mol (via Jmol)
012111102.b3lyp_6-31g(d).inp

012111102.b3lyp_6-31g(d).qchem.inp (generated)

012111102.b3lyp_6-31g(d).gjf (generated)

012111102.b3lyp_6-31g(d).firefly.inp (generated)

012111102.b3lyp_6-31g(d).smash.inp (generated)

012111102.b3lyp_6-31g(d).nwchem.inp (generated) 012111102.b3lyp_6-31g(d).log.xz 012111102.td-b3lyp_6-31g+(d).inp 012111102.td-b3lyp_6-31g+(d).log.xz

012111102.td-b3lyp_6-31+g(d).qchem.inp (generated)

012111102.td-b3lyp_6-31+g(d).gjf (generated)

012111102.td-b3lyp_6-31+g(d).firefly.inp (generated)

012111102.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012111102.mol 012111102.PUBCHEM 012111102.mol (via Jmol)
012111150.b3lyp_6-31g(d).inp

012111150.b3lyp_6-31g(d).qchem.inp (generated)

012111150.b3lyp_6-31g(d).gjf (generated)

012111150.b3lyp_6-31g(d).firefly.inp (generated)

012111150.b3lyp_6-31g(d).smash.inp (generated)

012111150.b3lyp_6-31g(d).nwchem.inp (generated) 012111150.b3lyp_6-31g(d).log.xz 012111150.td-b3lyp_6-31g+(d).inp 012111150.td-b3lyp_6-31g+(d).log.xz

012111150.td-b3lyp_6-31+g(d).qchem.inp (generated)

012111150.td-b3lyp_6-31+g(d).gjf (generated)

012111150.td-b3lyp_6-31+g(d).firefly.inp (generated)

012111150.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012111150.mol 012111150.PUBCHEM 012111150.mol (via Jmol)
012111254.b3lyp_6-31g(d).inp

012111254.b3lyp_6-31g(d).qchem.inp (generated)

012111254.b3lyp_6-31g(d).gjf (generated)

012111254.b3lyp_6-31g(d).firefly.inp (generated)

012111254.b3lyp_6-31g(d).smash.inp (generated)

012111254.b3lyp_6-31g(d).nwchem.inp (generated) 012111254.b3lyp_6-31g(d).log.xz 012111254.td-b3lyp_6-31g+(d).inp 012111254.td-b3lyp_6-31g+(d).log.xz

012111254.td-b3lyp_6-31+g(d).qchem.inp (generated)

012111254.td-b3lyp_6-31+g(d).gjf (generated)

012111254.td-b3lyp_6-31+g(d).firefly.inp (generated)

012111254.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012111254.mol 012111254.PUBCHEM 012111254.mol (via Jmol)
012111255.b3lyp_6-31g(d).inp

012111255.b3lyp_6-31g(d).qchem.inp (generated)

012111255.b3lyp_6-31g(d).gjf (generated)

012111255.b3lyp_6-31g(d).firefly.inp (generated)

012111255.b3lyp_6-31g(d).smash.inp (generated)

012111255.b3lyp_6-31g(d).nwchem.inp (generated) 012111255.b3lyp_6-31g(d).log.xz 012111255.td-b3lyp_6-31g+(d).inp 012111255.td-b3lyp_6-31g+(d).log.xz

012111255.td-b3lyp_6-31+g(d).qchem.inp (generated)

012111255.td-b3lyp_6-31+g(d).gjf (generated)

012111255.td-b3lyp_6-31+g(d).firefly.inp (generated)

012111255.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012111255.mol 012111255.PUBCHEM 012111255.mol (via Jmol)
012111257.b3lyp_6-31g(d).inp

012111257.b3lyp_6-31g(d).qchem.inp (generated)

012111257.b3lyp_6-31g(d).gjf (generated)

012111257.b3lyp_6-31g(d).firefly.inp (generated)

012111257.b3lyp_6-31g(d).smash.inp (generated)

012111257.b3lyp_6-31g(d).nwchem.inp (generated) 012111257.b3lyp_6-31g(d).log.xz 012111257.td-b3lyp_6-31g+(d).inp 012111257.td-b3lyp_6-31g+(d).log.xz

012111257.td-b3lyp_6-31+g(d).qchem.inp (generated)

012111257.td-b3lyp_6-31+g(d).gjf (generated)

012111257.td-b3lyp_6-31+g(d).firefly.inp (generated)

012111257.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012111257.mol 012111257.PUBCHEM 012111257.mol (via Jmol)
012111290.b3lyp_6-31g(d).inp

012111290.b3lyp_6-31g(d).qchem.inp (generated)

012111290.b3lyp_6-31g(d).gjf (generated)

012111290.b3lyp_6-31g(d).firefly.inp (generated)

012111290.b3lyp_6-31g(d).smash.inp (generated)

012111290.b3lyp_6-31g(d).nwchem.inp (generated) 012111290.b3lyp_6-31g(d).log.xz 012111290.td-b3lyp_6-31g+(d).inp 012111290.td-b3lyp_6-31g+(d).log.xz

012111290.td-b3lyp_6-31+g(d).qchem.inp (generated)

012111290.td-b3lyp_6-31+g(d).gjf (generated)

012111290.td-b3lyp_6-31+g(d).firefly.inp (generated)

012111290.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012111290.mol 012111290.PUBCHEM 012111290.mol (via Jmol)
012111293.b3lyp_6-31g(d).inp

012111293.b3lyp_6-31g(d).qchem.inp (generated)

012111293.b3lyp_6-31g(d).gjf (generated)

012111293.b3lyp_6-31g(d).firefly.inp (generated)

012111293.b3lyp_6-31g(d).smash.inp (generated)

012111293.b3lyp_6-31g(d).nwchem.inp (generated) 012111293.b3lyp_6-31g(d).log.xz 012111293.td-b3lyp_6-31g+(d).inp 012111293.td-b3lyp_6-31g+(d).log.xz

012111293.td-b3lyp_6-31+g(d).qchem.inp (generated)

012111293.td-b3lyp_6-31+g(d).gjf (generated)

012111293.td-b3lyp_6-31+g(d).firefly.inp (generated)

012111293.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012111293.mol 012111293.PUBCHEM 012111293.mol (via Jmol)
012111294.b3lyp_6-31g(d).inp

012111294.b3lyp_6-31g(d).qchem.inp (generated)

012111294.b3lyp_6-31g(d).gjf (generated)

012111294.b3lyp_6-31g(d).firefly.inp (generated)

012111294.b3lyp_6-31g(d).smash.inp (generated)

012111294.b3lyp_6-31g(d).nwchem.inp (generated) 012111294.b3lyp_6-31g(d).log.xz 012111294.td-b3lyp_6-31g+(d).inp 012111294.td-b3lyp_6-31g+(d).log.xz

012111294.td-b3lyp_6-31+g(d).qchem.inp (generated)

012111294.td-b3lyp_6-31+g(d).gjf (generated)

012111294.td-b3lyp_6-31+g(d).firefly.inp (generated)

012111294.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012111294.mol 012111294.PUBCHEM 012111294.mol (via Jmol)
012111301.b3lyp_6-31g(d).inp

012111301.b3lyp_6-31g(d).qchem.inp (generated)

012111301.b3lyp_6-31g(d).gjf (generated)

012111301.b3lyp_6-31g(d).firefly.inp (generated)

012111301.b3lyp_6-31g(d).smash.inp (generated)

012111301.b3lyp_6-31g(d).nwchem.inp (generated) 012111301.b3lyp_6-31g(d).log.xz 012111301.td-b3lyp_6-31g+(d).inp 012111301.td-b3lyp_6-31g+(d).log.xz

012111301.td-b3lyp_6-31+g(d).qchem.inp (generated)

012111301.td-b3lyp_6-31+g(d).gjf (generated)

012111301.td-b3lyp_6-31+g(d).firefly.inp (generated)

012111301.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012111301.mol 012111301.PUBCHEM 012111301.mol (via Jmol)
012111305.b3lyp_6-31g(d).inp

012111305.b3lyp_6-31g(d).qchem.inp (generated)

012111305.b3lyp_6-31g(d).gjf (generated)

012111305.b3lyp_6-31g(d).firefly.inp (generated)

012111305.b3lyp_6-31g(d).smash.inp (generated)

012111305.b3lyp_6-31g(d).nwchem.inp (generated) 012111305.b3lyp_6-31g(d).log.xz 012111305.td-b3lyp_6-31g+(d).inp 012111305.td-b3lyp_6-31g+(d).log.xz

012111305.td-b3lyp_6-31+g(d).qchem.inp (generated)

012111305.td-b3lyp_6-31+g(d).gjf (generated)

012111305.td-b3lyp_6-31+g(d).firefly.inp (generated)

012111305.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012111305.mol 012111305.PUBCHEM 012111305.mol (via Jmol)
012111350.b3lyp_6-31g(d).inp

012111350.b3lyp_6-31g(d).qchem.inp (generated)

012111350.b3lyp_6-31g(d).gjf (generated)

012111350.b3lyp_6-31g(d).firefly.inp (generated)

012111350.b3lyp_6-31g(d).smash.inp (generated)

012111350.b3lyp_6-31g(d).nwchem.inp (generated) 012111350.b3lyp_6-31g(d).log.xz 012111350.td-b3lyp_6-31g+(d).inp 012111350.td-b3lyp_6-31g+(d).log.xz

012111350.td-b3lyp_6-31+g(d).qchem.inp (generated)

012111350.td-b3lyp_6-31+g(d).gjf (generated)

012111350.td-b3lyp_6-31+g(d).firefly.inp (generated)

012111350.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012111350.mol 012111350.PUBCHEM 012111350.mol (via Jmol)
012111377.b3lyp_6-31g(d).inp

012111377.b3lyp_6-31g(d).qchem.inp (generated)

012111377.b3lyp_6-31g(d).gjf (generated)

012111377.b3lyp_6-31g(d).firefly.inp (generated)

012111377.b3lyp_6-31g(d).smash.inp (generated)

012111377.b3lyp_6-31g(d).nwchem.inp (generated) 012111377.b3lyp_6-31g(d).log.xz 012111377.td-b3lyp_6-31g+(d).inp 012111377.td-b3lyp_6-31g+(d).log.xz

012111377.td-b3lyp_6-31+g(d).qchem.inp (generated)

012111377.td-b3lyp_6-31+g(d).gjf (generated)

012111377.td-b3lyp_6-31+g(d).firefly.inp (generated)

012111377.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012111377.mol 012111377.PUBCHEM 012111377.mol (via Jmol)
012111379.b3lyp_6-31g(d).inp

012111379.b3lyp_6-31g(d).qchem.inp (generated)

012111379.b3lyp_6-31g(d).gjf (generated)

012111379.b3lyp_6-31g(d).firefly.inp (generated)

012111379.b3lyp_6-31g(d).smash.inp (generated)

012111379.b3lyp_6-31g(d).nwchem.inp (generated) 012111379.b3lyp_6-31g(d).log.xz 012111379.td-b3lyp_6-31g+(d).inp 012111379.td-b3lyp_6-31g+(d).log.xz

012111379.td-b3lyp_6-31+g(d).qchem.inp (generated)

012111379.td-b3lyp_6-31+g(d).gjf (generated)

012111379.td-b3lyp_6-31+g(d).firefly.inp (generated)

012111379.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012111379.mol 012111379.PUBCHEM 012111379.mol (via Jmol)
012111383.b3lyp_6-31g(d).inp

012111383.b3lyp_6-31g(d).qchem.inp (generated)

012111383.b3lyp_6-31g(d).gjf (generated)

012111383.b3lyp_6-31g(d).firefly.inp (generated)

012111383.b3lyp_6-31g(d).smash.inp (generated)

012111383.b3lyp_6-31g(d).nwchem.inp (generated) 012111383.b3lyp_6-31g(d).log.xz 012111383.td-b3lyp_6-31g+(d).inp 012111383.td-b3lyp_6-31g+(d).log.xz

012111383.td-b3lyp_6-31+g(d).qchem.inp (generated)

012111383.td-b3lyp_6-31+g(d).gjf (generated)

012111383.td-b3lyp_6-31+g(d).firefly.inp (generated)

012111383.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012111383.mol 012111383.PUBCHEM 012111383.mol (via Jmol)
012111395.b3lyp_6-31g(d).inp

012111395.b3lyp_6-31g(d).qchem.inp (generated)

012111395.b3lyp_6-31g(d).gjf (generated)

012111395.b3lyp_6-31g(d).firefly.inp (generated)

012111395.b3lyp_6-31g(d).smash.inp (generated)

012111395.b3lyp_6-31g(d).nwchem.inp (generated) 012111395.b3lyp_6-31g(d).log.xz 012111395.td-b3lyp_6-31g+(d).inp 012111395.td-b3lyp_6-31g+(d).log.xz

012111395.td-b3lyp_6-31+g(d).qchem.inp (generated)

012111395.td-b3lyp_6-31+g(d).gjf (generated)

012111395.td-b3lyp_6-31+g(d).firefly.inp (generated)

012111395.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012111395.mol 012111395.PUBCHEM 012111395.mol (via Jmol)
012111420.b3lyp_6-31g(d).inp

012111420.b3lyp_6-31g(d).qchem.inp (generated)

012111420.b3lyp_6-31g(d).gjf (generated)

012111420.b3lyp_6-31g(d).firefly.inp (generated)

012111420.b3lyp_6-31g(d).smash.inp (generated)

012111420.b3lyp_6-31g(d).nwchem.inp (generated) 012111420.b3lyp_6-31g(d).log.xz 012111420.td-b3lyp_6-31g+(d).inp 012111420.td-b3lyp_6-31g+(d).log.xz

012111420.td-b3lyp_6-31+g(d).qchem.inp (generated)

012111420.td-b3lyp_6-31+g(d).gjf (generated)

012111420.td-b3lyp_6-31+g(d).firefly.inp (generated)

012111420.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012111420.mol 012111420.PUBCHEM 012111420.mol (via Jmol)
012111421.b3lyp_6-31g(d).inp

012111421.b3lyp_6-31g(d).qchem.inp (generated)

012111421.b3lyp_6-31g(d).gjf (generated)

012111421.b3lyp_6-31g(d).firefly.inp (generated)

012111421.b3lyp_6-31g(d).smash.inp (generated)

012111421.b3lyp_6-31g(d).nwchem.inp (generated) 012111421.b3lyp_6-31g(d).log.xz 012111421.td-b3lyp_6-31g+(d).inp 012111421.td-b3lyp_6-31g+(d).log.xz

012111421.td-b3lyp_6-31+g(d).qchem.inp (generated)

012111421.td-b3lyp_6-31+g(d).gjf (generated)

012111421.td-b3lyp_6-31+g(d).firefly.inp (generated)

012111421.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012111421.mol 012111421.PUBCHEM 012111421.mol (via Jmol)
012111470.b3lyp_6-31g(d).inp

012111470.b3lyp_6-31g(d).qchem.inp (generated)

012111470.b3lyp_6-31g(d).gjf (generated)

012111470.b3lyp_6-31g(d).firefly.inp (generated)

012111470.b3lyp_6-31g(d).smash.inp (generated)

012111470.b3lyp_6-31g(d).nwchem.inp (generated) 012111470.b3lyp_6-31g(d).log.xz 012111470.td-b3lyp_6-31g+(d).inp 012111470.td-b3lyp_6-31g+(d).log.xz

012111470.td-b3lyp_6-31+g(d).qchem.inp (generated)

012111470.td-b3lyp_6-31+g(d).gjf (generated)

012111470.td-b3lyp_6-31+g(d).firefly.inp (generated)

012111470.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012111470.mol 012111470.PUBCHEM 012111470.mol (via Jmol)
012111481.b3lyp_6-31g(d).inp

012111481.b3lyp_6-31g(d).qchem.inp (generated)

012111481.b3lyp_6-31g(d).gjf (generated)

012111481.b3lyp_6-31g(d).firefly.inp (generated)

012111481.b3lyp_6-31g(d).smash.inp (generated)

012111481.b3lyp_6-31g(d).nwchem.inp (generated) 012111481.b3lyp_6-31g(d).log.xz 012111481.td-b3lyp_6-31g+(d).inp 012111481.td-b3lyp_6-31g+(d).log.xz

012111481.td-b3lyp_6-31+g(d).qchem.inp (generated)

012111481.td-b3lyp_6-31+g(d).gjf (generated)

012111481.td-b3lyp_6-31+g(d).firefly.inp (generated)

012111481.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012111481.mol 012111481.PUBCHEM 012111481.mol (via Jmol)
012111483.b3lyp_6-31g(d).inp

012111483.b3lyp_6-31g(d).qchem.inp (generated)

012111483.b3lyp_6-31g(d).gjf (generated)

012111483.b3lyp_6-31g(d).firefly.inp (generated)

012111483.b3lyp_6-31g(d).smash.inp (generated)

012111483.b3lyp_6-31g(d).nwchem.inp (generated) 012111483.b3lyp_6-31g(d).log.xz 012111483.td-b3lyp_6-31g+(d).inp 012111483.td-b3lyp_6-31g+(d).log.xz

012111483.td-b3lyp_6-31+g(d).qchem.inp (generated)

012111483.td-b3lyp_6-31+g(d).gjf (generated)

012111483.td-b3lyp_6-31+g(d).firefly.inp (generated)

012111483.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012111483.mol 012111483.PUBCHEM 012111483.mol (via Jmol)
012111581.b3lyp_6-31g(d).inp

012111581.b3lyp_6-31g(d).qchem.inp (generated)

012111581.b3lyp_6-31g(d).gjf (generated)

012111581.b3lyp_6-31g(d).firefly.inp (generated)

012111581.b3lyp_6-31g(d).smash.inp (generated)

012111581.b3lyp_6-31g(d).nwchem.inp (generated) 012111581.b3lyp_6-31g(d).log.xz 012111581.td-b3lyp_6-31g+(d).inp 012111581.td-b3lyp_6-31g+(d).log.xz

012111581.td-b3lyp_6-31+g(d).qchem.inp (generated)

012111581.td-b3lyp_6-31+g(d).gjf (generated)

012111581.td-b3lyp_6-31+g(d).firefly.inp (generated)

012111581.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012111581.mol 012111581.PUBCHEM 012111581.mol (via Jmol)
012111642.b3lyp_6-31g(d).inp

012111642.b3lyp_6-31g(d).qchem.inp (generated)

012111642.b3lyp_6-31g(d).gjf (generated)

012111642.b3lyp_6-31g(d).firefly.inp (generated)

012111642.b3lyp_6-31g(d).smash.inp (generated)

012111642.b3lyp_6-31g(d).nwchem.inp (generated) 012111642.b3lyp_6-31g(d).log.xz 012111642.td-b3lyp_6-31g+(d).inp 012111642.td-b3lyp_6-31g+(d).log.xz

012111642.td-b3lyp_6-31+g(d).qchem.inp (generated)

012111642.td-b3lyp_6-31+g(d).gjf (generated)

012111642.td-b3lyp_6-31+g(d).firefly.inp (generated)

012111642.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012111642.mol 012111642.PUBCHEM 012111642.mol (via Jmol)
012111684.b3lyp_6-31g(d).inp

012111684.b3lyp_6-31g(d).qchem.inp (generated)

012111684.b3lyp_6-31g(d).gjf (generated)

012111684.b3lyp_6-31g(d).firefly.inp (generated)

012111684.b3lyp_6-31g(d).smash.inp (generated)

012111684.b3lyp_6-31g(d).nwchem.inp (generated) 012111684.b3lyp_6-31g(d).log.xz 012111684.td-b3lyp_6-31g+(d).inp 012111684.td-b3lyp_6-31g+(d).log.xz

012111684.td-b3lyp_6-31+g(d).qchem.inp (generated)

012111684.td-b3lyp_6-31+g(d).gjf (generated)

012111684.td-b3lyp_6-31+g(d).firefly.inp (generated)

012111684.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012111684.mol 012111684.PUBCHEM 012111684.mol (via Jmol)
012111816.b3lyp_6-31g(d).inp

012111816.b3lyp_6-31g(d).qchem.inp (generated)

012111816.b3lyp_6-31g(d).gjf (generated)

012111816.b3lyp_6-31g(d).firefly.inp (generated)

012111816.b3lyp_6-31g(d).smash.inp (generated)

012111816.b3lyp_6-31g(d).nwchem.inp (generated) 012111816.b3lyp_6-31g(d).log.xz 012111816.td-b3lyp_6-31g+(d).inp 012111816.td-b3lyp_6-31g+(d).log.xz

012111816.td-b3lyp_6-31+g(d).qchem.inp (generated)

012111816.td-b3lyp_6-31+g(d).gjf (generated)

012111816.td-b3lyp_6-31+g(d).firefly.inp (generated)

012111816.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012111816.mol 012111816.PUBCHEM 012111816.mol (via Jmol)
012111840.b3lyp_6-31g(d).inp

012111840.b3lyp_6-31g(d).qchem.inp (generated)

012111840.b3lyp_6-31g(d).gjf (generated)

012111840.b3lyp_6-31g(d).firefly.inp (generated)

012111840.b3lyp_6-31g(d).smash.inp (generated)

012111840.b3lyp_6-31g(d).nwchem.inp (generated) 012111840.b3lyp_6-31g(d).log.xz 012111840.td-b3lyp_6-31g+(d).inp 012111840.td-b3lyp_6-31g+(d).log.xz

012111840.td-b3lyp_6-31+g(d).qchem.inp (generated)

012111840.td-b3lyp_6-31+g(d).gjf (generated)

012111840.td-b3lyp_6-31+g(d).firefly.inp (generated)

012111840.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012111840.mol 012111840.PUBCHEM 012111840.mol (via Jmol)
012111893.b3lyp_6-31g(d).inp

012111893.b3lyp_6-31g(d).qchem.inp (generated)

012111893.b3lyp_6-31g(d).gjf (generated)

012111893.b3lyp_6-31g(d).firefly.inp (generated)

012111893.b3lyp_6-31g(d).smash.inp (generated)

012111893.b3lyp_6-31g(d).nwchem.inp (generated) 012111893.b3lyp_6-31g(d).log.xz 012111893.td-b3lyp_6-31g+(d).inp 012111893.td-b3lyp_6-31g+(d).log.xz

012111893.td-b3lyp_6-31+g(d).qchem.inp (generated)

012111893.td-b3lyp_6-31+g(d).gjf (generated)

012111893.td-b3lyp_6-31+g(d).firefly.inp (generated)

012111893.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012111893.mol 012111893.PUBCHEM 012111893.mol (via Jmol)
012112021.b3lyp_6-31g(d).inp

012112021.b3lyp_6-31g(d).qchem.inp (generated)

012112021.b3lyp_6-31g(d).gjf (generated)

012112021.b3lyp_6-31g(d).firefly.inp (generated)

012112021.b3lyp_6-31g(d).smash.inp (generated)

012112021.b3lyp_6-31g(d).nwchem.inp (generated) 012112021.b3lyp_6-31g(d).log.xz 012112021.td-b3lyp_6-31g+(d).inp 012112021.td-b3lyp_6-31g+(d).log.xz

012112021.td-b3lyp_6-31+g(d).qchem.inp (generated)

012112021.td-b3lyp_6-31+g(d).gjf (generated)

012112021.td-b3lyp_6-31+g(d).firefly.inp (generated)

012112021.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012112021.mol 012112021.PUBCHEM 012112021.mol (via Jmol)
012112022.b3lyp_6-31g(d).inp

012112022.b3lyp_6-31g(d).qchem.inp (generated)

012112022.b3lyp_6-31g(d).gjf (generated)

012112022.b3lyp_6-31g(d).firefly.inp (generated)

012112022.b3lyp_6-31g(d).smash.inp (generated)

012112022.b3lyp_6-31g(d).nwchem.inp (generated) 012112022.b3lyp_6-31g(d).log.xz 012112022.td-b3lyp_6-31g+(d).inp 012112022.td-b3lyp_6-31g+(d).log.xz

012112022.td-b3lyp_6-31+g(d).qchem.inp (generated)

012112022.td-b3lyp_6-31+g(d).gjf (generated)

012112022.td-b3lyp_6-31+g(d).firefly.inp (generated)

012112022.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012112022.mol 012112022.PUBCHEM 012112022.mol (via Jmol)
012112025.b3lyp_6-31g(d).inp

012112025.b3lyp_6-31g(d).qchem.inp (generated)

012112025.b3lyp_6-31g(d).gjf (generated)

012112025.b3lyp_6-31g(d).firefly.inp (generated)

012112025.b3lyp_6-31g(d).smash.inp (generated)

012112025.b3lyp_6-31g(d).nwchem.inp (generated) 012112025.b3lyp_6-31g(d).log.xz 012112025.td-b3lyp_6-31g+(d).inp 012112025.td-b3lyp_6-31g+(d).log.xz

012112025.td-b3lyp_6-31+g(d).qchem.inp (generated)

012112025.td-b3lyp_6-31+g(d).gjf (generated)

012112025.td-b3lyp_6-31+g(d).firefly.inp (generated)

012112025.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012112025.mol 012112025.PUBCHEM 012112025.mol (via Jmol)
012112027.b3lyp_6-31g(d).inp

012112027.b3lyp_6-31g(d).qchem.inp (generated)

012112027.b3lyp_6-31g(d).gjf (generated)

012112027.b3lyp_6-31g(d).firefly.inp (generated)

012112027.b3lyp_6-31g(d).smash.inp (generated)

012112027.b3lyp_6-31g(d).nwchem.inp (generated) 012112027.b3lyp_6-31g(d).log.xz 012112027.td-b3lyp_6-31g+(d).inp 012112027.td-b3lyp_6-31g+(d).log.xz

012112027.td-b3lyp_6-31+g(d).qchem.inp (generated)

012112027.td-b3lyp_6-31+g(d).gjf (generated)

012112027.td-b3lyp_6-31+g(d).firefly.inp (generated)

012112027.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012112027.mol 012112027.PUBCHEM 012112027.mol (via Jmol)
012112118.b3lyp_6-31g(d).inp

012112118.b3lyp_6-31g(d).qchem.inp (generated)

012112118.b3lyp_6-31g(d).gjf (generated)

012112118.b3lyp_6-31g(d).firefly.inp (generated)

012112118.b3lyp_6-31g(d).smash.inp (generated)

012112118.b3lyp_6-31g(d).nwchem.inp (generated) 012112118.b3lyp_6-31g(d).log.xz 012112118.mol 012112118.PUBCHEM 012112118.mol (via Jmol)
012112138.b3lyp_6-31g(d).inp

012112138.b3lyp_6-31g(d).qchem.inp (generated)

012112138.b3lyp_6-31g(d).gjf (generated)

012112138.b3lyp_6-31g(d).firefly.inp (generated)

012112138.b3lyp_6-31g(d).smash.inp (generated)

012112138.b3lyp_6-31g(d).nwchem.inp (generated) 012112138.b3lyp_6-31g(d).log.xz 012112138.td-b3lyp_6-31g+(d).inp 012112138.td-b3lyp_6-31g+(d).log.xz

012112138.td-b3lyp_6-31+g(d).qchem.inp (generated)

012112138.td-b3lyp_6-31+g(d).gjf (generated)

012112138.td-b3lyp_6-31+g(d).firefly.inp (generated)

012112138.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012112138.mol 012112138.PUBCHEM 012112138.mol (via Jmol)
012112139.b3lyp_6-31g(d).inp

012112139.b3lyp_6-31g(d).qchem.inp (generated)

012112139.b3lyp_6-31g(d).gjf (generated)

012112139.b3lyp_6-31g(d).firefly.inp (generated)

012112139.b3lyp_6-31g(d).smash.inp (generated)

012112139.b3lyp_6-31g(d).nwchem.inp (generated) 012112139.b3lyp_6-31g(d).log.xz 012112139.td-b3lyp_6-31g+(d).inp 012112139.td-b3lyp_6-31g+(d).log.xz

012112139.td-b3lyp_6-31+g(d).qchem.inp (generated)

012112139.td-b3lyp_6-31+g(d).gjf (generated)

012112139.td-b3lyp_6-31+g(d).firefly.inp (generated)

012112139.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012112139.mol 012112139.PUBCHEM 012112139.mol (via Jmol)
012112140.b3lyp_6-31g(d).inp

012112140.b3lyp_6-31g(d).qchem.inp (generated)

012112140.b3lyp_6-31g(d).gjf (generated)

012112140.b3lyp_6-31g(d).firefly.inp (generated)

012112140.b3lyp_6-31g(d).smash.inp (generated)

012112140.b3lyp_6-31g(d).nwchem.inp (generated) 012112140.b3lyp_6-31g(d).log.xz 012112140.td-b3lyp_6-31g+(d).inp 012112140.td-b3lyp_6-31g+(d).log.xz

012112140.td-b3lyp_6-31+g(d).qchem.inp (generated)

012112140.td-b3lyp_6-31+g(d).gjf (generated)

012112140.td-b3lyp_6-31+g(d).firefly.inp (generated)

012112140.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012112140.mol 012112140.PUBCHEM 012112140.mol (via Jmol)
012112168.b3lyp_6-31g(d).inp

012112168.b3lyp_6-31g(d).qchem.inp (generated)

012112168.b3lyp_6-31g(d).gjf (generated)

012112168.b3lyp_6-31g(d).firefly.inp (generated)

012112168.b3lyp_6-31g(d).smash.inp (generated)

012112168.b3lyp_6-31g(d).nwchem.inp (generated) 012112168.b3lyp_6-31g(d).log.xz 012112168.td-b3lyp_6-31g+(d).inp 012112168.td-b3lyp_6-31g+(d).log.xz

012112168.td-b3lyp_6-31+g(d).qchem.inp (generated)

012112168.td-b3lyp_6-31+g(d).gjf (generated)

012112168.td-b3lyp_6-31+g(d).firefly.inp (generated)

012112168.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012112168.mol 012112168.PUBCHEM 012112168.mol (via Jmol)
012112170.b3lyp_6-31g(d).inp

012112170.b3lyp_6-31g(d).qchem.inp (generated)

012112170.b3lyp_6-31g(d).gjf (generated)

012112170.b3lyp_6-31g(d).firefly.inp (generated)

012112170.b3lyp_6-31g(d).smash.inp (generated)

012112170.b3lyp_6-31g(d).nwchem.inp (generated) 012112170.b3lyp_6-31g(d).log.xz 012112170.td-b3lyp_6-31g+(d).inp 012112170.td-b3lyp_6-31g+(d).log.xz

012112170.td-b3lyp_6-31+g(d).qchem.inp (generated)

012112170.td-b3lyp_6-31+g(d).gjf (generated)

012112170.td-b3lyp_6-31+g(d).firefly.inp (generated)

012112170.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012112170.mol 012112170.PUBCHEM 012112170.mol (via Jmol)
012112171.b3lyp_6-31g(d).inp

012112171.b3lyp_6-31g(d).qchem.inp (generated)

012112171.b3lyp_6-31g(d).gjf (generated)

012112171.b3lyp_6-31g(d).firefly.inp (generated)

012112171.b3lyp_6-31g(d).smash.inp (generated)

012112171.b3lyp_6-31g(d).nwchem.inp (generated) 012112171.b3lyp_6-31g(d).log.xz 012112171.mol 012112171.PUBCHEM 012112171.mol (via Jmol)
012112180.b3lyp_6-31g(d).inp

012112180.b3lyp_6-31g(d).qchem.inp (generated)

012112180.b3lyp_6-31g(d).gjf (generated)

012112180.b3lyp_6-31g(d).firefly.inp (generated)

012112180.b3lyp_6-31g(d).smash.inp (generated)

012112180.b3lyp_6-31g(d).nwchem.inp (generated) 012112180.b3lyp_6-31g(d).log.xz 012112180.td-b3lyp_6-31g+(d).inp 012112180.td-b3lyp_6-31g+(d).log.xz

012112180.td-b3lyp_6-31+g(d).qchem.inp (generated)

012112180.td-b3lyp_6-31+g(d).gjf (generated)

012112180.td-b3lyp_6-31+g(d).firefly.inp (generated)

012112180.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012112180.mol 012112180.PUBCHEM 012112180.mol (via Jmol)
012112229.b3lyp_6-31g(d).inp

012112229.b3lyp_6-31g(d).qchem.inp (generated)

012112229.b3lyp_6-31g(d).gjf (generated)

012112229.b3lyp_6-31g(d).firefly.inp (generated)

012112229.b3lyp_6-31g(d).smash.inp (generated)

012112229.b3lyp_6-31g(d).nwchem.inp (generated) 012112229.b3lyp_6-31g(d).log.xz 012112229.td-b3lyp_6-31g+(d).inp 012112229.td-b3lyp_6-31g+(d).log.xz

012112229.td-b3lyp_6-31+g(d).qchem.inp (generated)

012112229.td-b3lyp_6-31+g(d).gjf (generated)

012112229.td-b3lyp_6-31+g(d).firefly.inp (generated)

012112229.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012112229.mol 012112229.PUBCHEM 012112229.mol (via Jmol)
012112232.b3lyp_6-31g(d).inp

012112232.b3lyp_6-31g(d).qchem.inp (generated)

012112232.b3lyp_6-31g(d).gjf (generated)

012112232.b3lyp_6-31g(d).firefly.inp (generated)

012112232.b3lyp_6-31g(d).smash.inp (generated)

012112232.b3lyp_6-31g(d).nwchem.inp (generated) 012112232.b3lyp_6-31g(d).log.xz 012112232.td-b3lyp_6-31g+(d).inp 012112232.td-b3lyp_6-31g+(d).log.xz

012112232.td-b3lyp_6-31+g(d).qchem.inp (generated)

012112232.td-b3lyp_6-31+g(d).gjf (generated)

012112232.td-b3lyp_6-31+g(d).firefly.inp (generated)

012112232.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012112232.mol 012112232.PUBCHEM 012112232.mol (via Jmol)
012112324.b3lyp_6-31g(d).inp

012112324.b3lyp_6-31g(d).qchem.inp (generated)

012112324.b3lyp_6-31g(d).gjf (generated)

012112324.b3lyp_6-31g(d).firefly.inp (generated)

012112324.b3lyp_6-31g(d).smash.inp (generated)

012112324.b3lyp_6-31g(d).nwchem.inp (generated) 012112324.b3lyp_6-31g(d).log.xz 012112324.td-b3lyp_6-31g+(d).inp 012112324.td-b3lyp_6-31g+(d).log.xz

012112324.td-b3lyp_6-31+g(d).qchem.inp (generated)

012112324.td-b3lyp_6-31+g(d).gjf (generated)

012112324.td-b3lyp_6-31+g(d).firefly.inp (generated)

012112324.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012112324.mol 012112324.PUBCHEM 012112324.mol (via Jmol)
012112351.b3lyp_6-31g(d).inp

012112351.b3lyp_6-31g(d).qchem.inp (generated)

012112351.b3lyp_6-31g(d).gjf (generated)

012112351.b3lyp_6-31g(d).firefly.inp (generated)

012112351.b3lyp_6-31g(d).smash.inp (generated)

012112351.b3lyp_6-31g(d).nwchem.inp (generated) 012112351.b3lyp_6-31g(d).log.xz 012112351.td-b3lyp_6-31g+(d).inp 012112351.td-b3lyp_6-31g+(d).log.xz

012112351.td-b3lyp_6-31+g(d).qchem.inp (generated)

012112351.td-b3lyp_6-31+g(d).gjf (generated)

012112351.td-b3lyp_6-31+g(d).firefly.inp (generated)

012112351.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012112351.mol 012112351.PUBCHEM 012112351.mol (via Jmol)
012112424.b3lyp_6-31g(d).inp

012112424.b3lyp_6-31g(d).qchem.inp (generated)

012112424.b3lyp_6-31g(d).gjf (generated)

012112424.b3lyp_6-31g(d).firefly.inp (generated)

012112424.b3lyp_6-31g(d).smash.inp (generated)

012112424.b3lyp_6-31g(d).nwchem.inp (generated) 012112424.b3lyp_6-31g(d).log.xz 012112424.mol 012112424.PUBCHEM 012112424.mol (via Jmol)
012112463.b3lyp_6-31g(d).inp

012112463.b3lyp_6-31g(d).qchem.inp (generated)

012112463.b3lyp_6-31g(d).gjf (generated)

012112463.b3lyp_6-31g(d).firefly.inp (generated)

012112463.b3lyp_6-31g(d).smash.inp (generated)

012112463.b3lyp_6-31g(d).nwchem.inp (generated) 012112463.b3lyp_6-31g(d).log.xz 012112463.td-b3lyp_6-31g+(d).inp 012112463.td-b3lyp_6-31g+(d).log.xz

012112463.td-b3lyp_6-31+g(d).qchem.inp (generated)

012112463.td-b3lyp_6-31+g(d).gjf (generated)

012112463.td-b3lyp_6-31+g(d).firefly.inp (generated)

012112463.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012112463.mol 012112463.PUBCHEM 012112463.mol (via Jmol)
012112518.b3lyp_6-31g(d).inp

012112518.b3lyp_6-31g(d).qchem.inp (generated)

012112518.b3lyp_6-31g(d).gjf (generated)

012112518.b3lyp_6-31g(d).firefly.inp (generated)

012112518.b3lyp_6-31g(d).smash.inp (generated)

012112518.b3lyp_6-31g(d).nwchem.inp (generated) 012112518.b3lyp_6-31g(d).log.xz 012112518.td-b3lyp_6-31g+(d).inp 012112518.td-b3lyp_6-31g+(d).log.xz

012112518.td-b3lyp_6-31+g(d).qchem.inp (generated)

012112518.td-b3lyp_6-31+g(d).gjf (generated)

012112518.td-b3lyp_6-31+g(d).firefly.inp (generated)

012112518.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012112518.mol 012112518.PUBCHEM 012112518.mol (via Jmol)
012112534.b3lyp_6-31g(d).inp

012112534.b3lyp_6-31g(d).qchem.inp (generated)

012112534.b3lyp_6-31g(d).gjf (generated)

012112534.b3lyp_6-31g(d).firefly.inp (generated)

012112534.b3lyp_6-31g(d).smash.inp (generated)

012112534.b3lyp_6-31g(d).nwchem.inp (generated) 012112534.b3lyp_6-31g(d).log.xz 012112534.td-b3lyp_6-31g+(d).inp 012112534.td-b3lyp_6-31g+(d).log.xz

012112534.td-b3lyp_6-31+g(d).qchem.inp (generated)

012112534.td-b3lyp_6-31+g(d).gjf (generated)

012112534.td-b3lyp_6-31+g(d).firefly.inp (generated)

012112534.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012112534.mol 012112534.PUBCHEM 012112534.mol (via Jmol)
012112638.b3lyp_6-31g(d).inp

012112638.b3lyp_6-31g(d).qchem.inp (generated)

012112638.b3lyp_6-31g(d).gjf (generated)

012112638.b3lyp_6-31g(d).firefly.inp (generated)

012112638.b3lyp_6-31g(d).smash.inp (generated)

012112638.b3lyp_6-31g(d).nwchem.inp (generated) 012112638.b3lyp_6-31g(d).log.xz 012112638.td-b3lyp_6-31g+(d).inp 012112638.td-b3lyp_6-31g+(d).log.xz

012112638.td-b3lyp_6-31+g(d).qchem.inp (generated)

012112638.td-b3lyp_6-31+g(d).gjf (generated)

012112638.td-b3lyp_6-31+g(d).firefly.inp (generated)

012112638.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012112638.mol 012112638.PUBCHEM 012112638.mol (via Jmol)
012112640.b3lyp_6-31g(d).inp

012112640.b3lyp_6-31g(d).qchem.inp (generated)

012112640.b3lyp_6-31g(d).gjf (generated)

012112640.b3lyp_6-31g(d).firefly.inp (generated)

012112640.b3lyp_6-31g(d).smash.inp (generated)

012112640.b3lyp_6-31g(d).nwchem.inp (generated) 012112640.b3lyp_6-31g(d).log.xz 012112640.td-b3lyp_6-31g+(d).inp 012112640.td-b3lyp_6-31g+(d).log.xz

012112640.td-b3lyp_6-31+g(d).qchem.inp (generated)

012112640.td-b3lyp_6-31+g(d).gjf (generated)

012112640.td-b3lyp_6-31+g(d).firefly.inp (generated)

012112640.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012112640.mol 012112640.PUBCHEM 012112640.mol (via Jmol)
012112655.b3lyp_6-31g(d).inp

012112655.b3lyp_6-31g(d).qchem.inp (generated)

012112655.b3lyp_6-31g(d).gjf (generated)

012112655.b3lyp_6-31g(d).firefly.inp (generated)

012112655.b3lyp_6-31g(d).smash.inp (generated)

012112655.b3lyp_6-31g(d).nwchem.inp (generated) 012112655.b3lyp_6-31g(d).log.xz 012112655.td-b3lyp_6-31g+(d).inp 012112655.td-b3lyp_6-31g+(d).log.xz

012112655.td-b3lyp_6-31+g(d).qchem.inp (generated)

012112655.td-b3lyp_6-31+g(d).gjf (generated)

012112655.td-b3lyp_6-31+g(d).firefly.inp (generated)

012112655.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012112655.mol 012112655.PUBCHEM 012112655.mol (via Jmol)
012112791.b3lyp_6-31g(d).inp

012112791.b3lyp_6-31g(d).qchem.inp (generated)

012112791.b3lyp_6-31g(d).gjf (generated)

012112791.b3lyp_6-31g(d).firefly.inp (generated)

012112791.b3lyp_6-31g(d).smash.inp (generated)

012112791.b3lyp_6-31g(d).nwchem.inp (generated) 012112791.b3lyp_6-31g(d).log.xz 012112791.td-b3lyp_6-31g+(d).inp 012112791.td-b3lyp_6-31g+(d).log.xz

012112791.td-b3lyp_6-31+g(d).qchem.inp (generated)

012112791.td-b3lyp_6-31+g(d).gjf (generated)

012112791.td-b3lyp_6-31+g(d).firefly.inp (generated)

012112791.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012112791.mol 012112791.PUBCHEM 012112791.mol (via Jmol)
012112803.b3lyp_6-31g(d).inp

012112803.b3lyp_6-31g(d).qchem.inp (generated)

012112803.b3lyp_6-31g(d).gjf (generated)

012112803.b3lyp_6-31g(d).firefly.inp (generated)

012112803.b3lyp_6-31g(d).smash.inp (generated)

012112803.b3lyp_6-31g(d).nwchem.inp (generated) 012112803.b3lyp_6-31g(d).log.xz 012112803.td-b3lyp_6-31g+(d).inp 012112803.td-b3lyp_6-31g+(d).log.xz

012112803.td-b3lyp_6-31+g(d).qchem.inp (generated)

012112803.td-b3lyp_6-31+g(d).gjf (generated)

012112803.td-b3lyp_6-31+g(d).firefly.inp (generated)

012112803.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012112803.mol 012112803.PUBCHEM 012112803.mol (via Jmol)
012112918.b3lyp_6-31g(d).inp

012112918.b3lyp_6-31g(d).qchem.inp (generated)

012112918.b3lyp_6-31g(d).gjf (generated)

012112918.b3lyp_6-31g(d).firefly.inp (generated)

012112918.b3lyp_6-31g(d).smash.inp (generated)

012112918.b3lyp_6-31g(d).nwchem.inp (generated) 012112918.b3lyp_6-31g(d).log.xz 012112918.td-b3lyp_6-31g+(d).inp 012112918.td-b3lyp_6-31g+(d).log.xz

012112918.td-b3lyp_6-31+g(d).qchem.inp (generated)

012112918.td-b3lyp_6-31+g(d).gjf (generated)

012112918.td-b3lyp_6-31+g(d).firefly.inp (generated)

012112918.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012112918.mol 012112918.PUBCHEM 012112918.mol (via Jmol)
012112919.b3lyp_6-31g(d).inp

012112919.b3lyp_6-31g(d).qchem.inp (generated)

012112919.b3lyp_6-31g(d).gjf (generated)

012112919.b3lyp_6-31g(d).firefly.inp (generated)

012112919.b3lyp_6-31g(d).smash.inp (generated)

012112919.b3lyp_6-31g(d).nwchem.inp (generated) 012112919.b3lyp_6-31g(d).log.xz 012112919.td-b3lyp_6-31g+(d).inp 012112919.td-b3lyp_6-31g+(d).log.xz

012112919.td-b3lyp_6-31+g(d).qchem.inp (generated)

012112919.td-b3lyp_6-31+g(d).gjf (generated)

012112919.td-b3lyp_6-31+g(d).firefly.inp (generated)

012112919.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012112919.mol 012112919.PUBCHEM 012112919.mol (via Jmol)
012112921.b3lyp_6-31g(d).inp

012112921.b3lyp_6-31g(d).qchem.inp (generated)

012112921.b3lyp_6-31g(d).gjf (generated)

012112921.b3lyp_6-31g(d).firefly.inp (generated)

012112921.b3lyp_6-31g(d).smash.inp (generated)

012112921.b3lyp_6-31g(d).nwchem.inp (generated) 012112921.b3lyp_6-31g(d).log.xz 012112921.td-b3lyp_6-31g+(d).inp 012112921.td-b3lyp_6-31g+(d).log.xz

012112921.td-b3lyp_6-31+g(d).qchem.inp (generated)

012112921.td-b3lyp_6-31+g(d).gjf (generated)

012112921.td-b3lyp_6-31+g(d).firefly.inp (generated)

012112921.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012112921.mol 012112921.PUBCHEM 012112921.mol (via Jmol)
012112954.b3lyp_6-31g(d).inp

012112954.b3lyp_6-31g(d).qchem.inp (generated)

012112954.b3lyp_6-31g(d).gjf (generated)

012112954.b3lyp_6-31g(d).firefly.inp (generated)

012112954.b3lyp_6-31g(d).smash.inp (generated)

012112954.b3lyp_6-31g(d).nwchem.inp (generated) 012112954.b3lyp_6-31g(d).log.xz 012112954.td-b3lyp_6-31g+(d).inp 012112954.td-b3lyp_6-31g+(d).log.xz

012112954.td-b3lyp_6-31+g(d).qchem.inp (generated)

012112954.td-b3lyp_6-31+g(d).gjf (generated)

012112954.td-b3lyp_6-31+g(d).firefly.inp (generated)

012112954.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012112954.mol 012112954.PUBCHEM 012112954.mol (via Jmol)
012113025.b3lyp_6-31g(d).inp

012113025.b3lyp_6-31g(d).qchem.inp (generated)

012113025.b3lyp_6-31g(d).gjf (generated)

012113025.b3lyp_6-31g(d).firefly.inp (generated)

012113025.b3lyp_6-31g(d).smash.inp (generated)

012113025.b3lyp_6-31g(d).nwchem.inp (generated) 012113025.b3lyp_6-31g(d).log.xz 012113025.td-b3lyp_6-31g+(d).inp 012113025.td-b3lyp_6-31g+(d).log.xz

012113025.td-b3lyp_6-31+g(d).qchem.inp (generated)

012113025.td-b3lyp_6-31+g(d).gjf (generated)

012113025.td-b3lyp_6-31+g(d).firefly.inp (generated)

012113025.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012113025.mol 012113025.PUBCHEM 012113025.mol (via Jmol)
012113026.b3lyp_6-31g(d).inp

012113026.b3lyp_6-31g(d).qchem.inp (generated)

012113026.b3lyp_6-31g(d).gjf (generated)

012113026.b3lyp_6-31g(d).firefly.inp (generated)

012113026.b3lyp_6-31g(d).smash.inp (generated)

012113026.b3lyp_6-31g(d).nwchem.inp (generated) 012113026.b3lyp_6-31g(d).log.xz 012113026.td-b3lyp_6-31g+(d).inp 012113026.td-b3lyp_6-31g+(d).log.xz

012113026.td-b3lyp_6-31+g(d).qchem.inp (generated)

012113026.td-b3lyp_6-31+g(d).gjf (generated)

012113026.td-b3lyp_6-31+g(d).firefly.inp (generated)

012113026.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012113026.mol 012113026.PUBCHEM 012113026.mol (via Jmol)
012113027.b3lyp_6-31g(d).inp

012113027.b3lyp_6-31g(d).qchem.inp (generated)

012113027.b3lyp_6-31g(d).gjf (generated)

012113027.b3lyp_6-31g(d).firefly.inp (generated)

012113027.b3lyp_6-31g(d).smash.inp (generated)

012113027.b3lyp_6-31g(d).nwchem.inp (generated) 012113027.b3lyp_6-31g(d).log.xz 012113027.td-b3lyp_6-31g+(d).inp 012113027.td-b3lyp_6-31g+(d).log.xz

012113027.td-b3lyp_6-31+g(d).qchem.inp (generated)

012113027.td-b3lyp_6-31+g(d).gjf (generated)

012113027.td-b3lyp_6-31+g(d).firefly.inp (generated)

012113027.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012113027.mol 012113027.PUBCHEM 012113027.mol (via Jmol)
012113036.b3lyp_6-31g(d).inp

012113036.b3lyp_6-31g(d).qchem.inp (generated)

012113036.b3lyp_6-31g(d).gjf (generated)

012113036.b3lyp_6-31g(d).firefly.inp (generated)

012113036.b3lyp_6-31g(d).smash.inp (generated)

012113036.b3lyp_6-31g(d).nwchem.inp (generated) 012113036.b3lyp_6-31g(d).log.xz 012113036.mol 012113036.PUBCHEM 012113036.mol (via Jmol)
012113089.b3lyp_6-31g(d).inp

012113089.b3lyp_6-31g(d).qchem.inp (generated)

012113089.b3lyp_6-31g(d).gjf (generated)

012113089.b3lyp_6-31g(d).firefly.inp (generated)

012113089.b3lyp_6-31g(d).smash.inp (generated)

012113089.b3lyp_6-31g(d).nwchem.inp (generated) 012113089.b3lyp_6-31g(d).log.xz 012113089.td-b3lyp_6-31g+(d).inp 012113089.td-b3lyp_6-31g+(d).log.xz

012113089.td-b3lyp_6-31+g(d).qchem.inp (generated)

012113089.td-b3lyp_6-31+g(d).gjf (generated)

012113089.td-b3lyp_6-31+g(d).firefly.inp (generated)

012113089.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012113089.mol 012113089.PUBCHEM 012113089.mol (via Jmol)
012113124.b3lyp_6-31g(d).inp

012113124.b3lyp_6-31g(d).qchem.inp (generated)

012113124.b3lyp_6-31g(d).gjf (generated)

012113124.b3lyp_6-31g(d).firefly.inp (generated)

012113124.b3lyp_6-31g(d).smash.inp (generated)

012113124.b3lyp_6-31g(d).nwchem.inp (generated) 012113124.b3lyp_6-31g(d).log.xz 012113124.td-b3lyp_6-31g+(d).inp 012113124.td-b3lyp_6-31g+(d).log.xz

012113124.td-b3lyp_6-31+g(d).qchem.inp (generated)

012113124.td-b3lyp_6-31+g(d).gjf (generated)

012113124.td-b3lyp_6-31+g(d).firefly.inp (generated)

012113124.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012113124.mol 012113124.PUBCHEM 012113124.mol (via Jmol)
012113126.b3lyp_6-31g(d).inp

012113126.b3lyp_6-31g(d).qchem.inp (generated)

012113126.b3lyp_6-31g(d).gjf (generated)

012113126.b3lyp_6-31g(d).firefly.inp (generated)

012113126.b3lyp_6-31g(d).smash.inp (generated)

012113126.b3lyp_6-31g(d).nwchem.inp (generated) 012113126.b3lyp_6-31g(d).log.xz 012113126.td-b3lyp_6-31g+(d).inp 012113126.td-b3lyp_6-31g+(d).log.xz

012113126.td-b3lyp_6-31+g(d).qchem.inp (generated)

012113126.td-b3lyp_6-31+g(d).gjf (generated)

012113126.td-b3lyp_6-31+g(d).firefly.inp (generated)

012113126.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012113126.mol 012113126.PUBCHEM 012113126.mol (via Jmol)
012113142.b3lyp_6-31g(d).inp

012113142.b3lyp_6-31g(d).qchem.inp (generated)

012113142.b3lyp_6-31g(d).gjf (generated)

012113142.b3lyp_6-31g(d).firefly.inp (generated)

012113142.b3lyp_6-31g(d).smash.inp (generated)

012113142.b3lyp_6-31g(d).nwchem.inp (generated) 012113142.b3lyp_6-31g(d).log.xz 012113142.td-b3lyp_6-31g+(d).inp 012113142.td-b3lyp_6-31g+(d).log.xz

012113142.td-b3lyp_6-31+g(d).qchem.inp (generated)

012113142.td-b3lyp_6-31+g(d).gjf (generated)

012113142.td-b3lyp_6-31+g(d).firefly.inp (generated)

012113142.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012113142.mol 012113142.PUBCHEM 012113142.mol (via Jmol)
012113143.b3lyp_6-31g(d).inp

012113143.b3lyp_6-31g(d).qchem.inp (generated)

012113143.b3lyp_6-31g(d).gjf (generated)

012113143.b3lyp_6-31g(d).firefly.inp (generated)

012113143.b3lyp_6-31g(d).smash.inp (generated)

012113143.b3lyp_6-31g(d).nwchem.inp (generated) 012113143.b3lyp_6-31g(d).log.xz 012113143.td-b3lyp_6-31g+(d).inp 012113143.td-b3lyp_6-31g+(d).log.xz

012113143.td-b3lyp_6-31+g(d).qchem.inp (generated)

012113143.td-b3lyp_6-31+g(d).gjf (generated)

012113143.td-b3lyp_6-31+g(d).firefly.inp (generated)

012113143.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012113143.mol 012113143.PUBCHEM 012113143.mol (via Jmol)
012113144.b3lyp_6-31g(d).inp

012113144.b3lyp_6-31g(d).qchem.inp (generated)

012113144.b3lyp_6-31g(d).gjf (generated)

012113144.b3lyp_6-31g(d).firefly.inp (generated)

012113144.b3lyp_6-31g(d).smash.inp (generated)

012113144.b3lyp_6-31g(d).nwchem.inp (generated) 012113144.b3lyp_6-31g(d).log.xz 012113144.mol 012113144.PUBCHEM 012113144.mol (via Jmol)
012113145.b3lyp_6-31g(d).inp

012113145.b3lyp_6-31g(d).qchem.inp (generated)

012113145.b3lyp_6-31g(d).gjf (generated)

012113145.b3lyp_6-31g(d).firefly.inp (generated)

012113145.b3lyp_6-31g(d).smash.inp (generated)

012113145.b3lyp_6-31g(d).nwchem.inp (generated) 012113145.b3lyp_6-31g(d).log.xz 012113145.td-b3lyp_6-31g+(d).inp 012113145.td-b3lyp_6-31g+(d).log.xz

012113145.td-b3lyp_6-31+g(d).qchem.inp (generated)

012113145.td-b3lyp_6-31+g(d).gjf (generated)

012113145.td-b3lyp_6-31+g(d).firefly.inp (generated)

012113145.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012113145.mol 012113145.PUBCHEM 012113145.mol (via Jmol)
012113147.b3lyp_6-31g(d).inp

012113147.b3lyp_6-31g(d).qchem.inp (generated)

012113147.b3lyp_6-31g(d).gjf (generated)

012113147.b3lyp_6-31g(d).firefly.inp (generated)

012113147.b3lyp_6-31g(d).smash.inp (generated)

012113147.b3lyp_6-31g(d).nwchem.inp (generated) 012113147.b3lyp_6-31g(d).log.xz 012113147.td-b3lyp_6-31g+(d).inp 012113147.td-b3lyp_6-31g+(d).log.xz

012113147.td-b3lyp_6-31+g(d).qchem.inp (generated)

012113147.td-b3lyp_6-31+g(d).gjf (generated)

012113147.td-b3lyp_6-31+g(d).firefly.inp (generated)

012113147.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012113147.mol 012113147.PUBCHEM 012113147.mol (via Jmol)
012113161.b3lyp_6-31g(d).inp

012113161.b3lyp_6-31g(d).qchem.inp (generated)

012113161.b3lyp_6-31g(d).gjf (generated)

012113161.b3lyp_6-31g(d).firefly.inp (generated)

012113161.b3lyp_6-31g(d).smash.inp (generated)

012113161.b3lyp_6-31g(d).nwchem.inp (generated) 012113161.b3lyp_6-31g(d).log.xz 012113161.td-b3lyp_6-31g+(d).inp 012113161.td-b3lyp_6-31g+(d).log.xz

012113161.td-b3lyp_6-31+g(d).qchem.inp (generated)

012113161.td-b3lyp_6-31+g(d).gjf (generated)

012113161.td-b3lyp_6-31+g(d).firefly.inp (generated)

012113161.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012113161.mol 012113161.PUBCHEM 012113161.mol (via Jmol)
012113162.b3lyp_6-31g(d).inp

012113162.b3lyp_6-31g(d).qchem.inp (generated)

012113162.b3lyp_6-31g(d).gjf (generated)

012113162.b3lyp_6-31g(d).firefly.inp (generated)

012113162.b3lyp_6-31g(d).smash.inp (generated)

012113162.b3lyp_6-31g(d).nwchem.inp (generated) 012113162.b3lyp_6-31g(d).log.xz 012113162.td-b3lyp_6-31g+(d).inp 012113162.td-b3lyp_6-31g+(d).log.xz

012113162.td-b3lyp_6-31+g(d).qchem.inp (generated)

012113162.td-b3lyp_6-31+g(d).gjf (generated)

012113162.td-b3lyp_6-31+g(d).firefly.inp (generated)

012113162.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012113162.mol 012113162.PUBCHEM 012113162.mol (via Jmol)
012113170.b3lyp_6-31g(d).inp

012113170.b3lyp_6-31g(d).qchem.inp (generated)

012113170.b3lyp_6-31g(d).gjf (generated)

012113170.b3lyp_6-31g(d).firefly.inp (generated)

012113170.b3lyp_6-31g(d).smash.inp (generated)

012113170.b3lyp_6-31g(d).nwchem.inp (generated) 012113170.b3lyp_6-31g(d).log.xz 012113170.td-b3lyp_6-31g+(d).inp 012113170.td-b3lyp_6-31g+(d).log.xz

012113170.td-b3lyp_6-31+g(d).qchem.inp (generated)

012113170.td-b3lyp_6-31+g(d).gjf (generated)

012113170.td-b3lyp_6-31+g(d).firefly.inp (generated)

012113170.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012113170.mol 012113170.PUBCHEM 012113170.mol (via Jmol)
012113179.b3lyp_6-31g(d).inp

012113179.b3lyp_6-31g(d).qchem.inp (generated)

012113179.b3lyp_6-31g(d).gjf (generated)

012113179.b3lyp_6-31g(d).firefly.inp (generated)

012113179.b3lyp_6-31g(d).smash.inp (generated)

012113179.b3lyp_6-31g(d).nwchem.inp (generated) 012113179.b3lyp_6-31g(d).log.xz 012113179.mol 012113179.PUBCHEM 012113179.mol (via Jmol)
012113192.b3lyp_6-31g(d).inp

012113192.b3lyp_6-31g(d).qchem.inp (generated)

012113192.b3lyp_6-31g(d).gjf (generated)

012113192.b3lyp_6-31g(d).firefly.inp (generated)

012113192.b3lyp_6-31g(d).smash.inp (generated)

012113192.b3lyp_6-31g(d).nwchem.inp (generated) 012113192.b3lyp_6-31g(d).log.xz 012113192.td-b3lyp_6-31g+(d).inp 012113192.td-b3lyp_6-31g+(d).log.xz

012113192.td-b3lyp_6-31+g(d).qchem.inp (generated)

012113192.td-b3lyp_6-31+g(d).gjf (generated)

012113192.td-b3lyp_6-31+g(d).firefly.inp (generated)

012113192.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012113192.mol 012113192.PUBCHEM 012113192.mol (via Jmol)
012113202.b3lyp_6-31g(d).inp

012113202.b3lyp_6-31g(d).qchem.inp (generated)

012113202.b3lyp_6-31g(d).gjf (generated)

012113202.b3lyp_6-31g(d).firefly.inp (generated)

012113202.b3lyp_6-31g(d).smash.inp (generated)

012113202.b3lyp_6-31g(d).nwchem.inp (generated) 012113202.b3lyp_6-31g(d).log.xz 012113202.mol 012113202.PUBCHEM 012113202.mol (via Jmol)
012113203.b3lyp_6-31g(d).inp

012113203.b3lyp_6-31g(d).qchem.inp (generated)

012113203.b3lyp_6-31g(d).gjf (generated)

012113203.b3lyp_6-31g(d).firefly.inp (generated)

012113203.b3lyp_6-31g(d).smash.inp (generated)

012113203.b3lyp_6-31g(d).nwchem.inp (generated) 012113203.b3lyp_6-31g(d).log.xz 012113203.mol 012113203.PUBCHEM 012113203.mol (via Jmol)
012113205.b3lyp_6-31g(d).inp

012113205.b3lyp_6-31g(d).qchem.inp (generated)

012113205.b3lyp_6-31g(d).gjf (generated)

012113205.b3lyp_6-31g(d).firefly.inp (generated)

012113205.b3lyp_6-31g(d).smash.inp (generated)

012113205.b3lyp_6-31g(d).nwchem.inp (generated) 012113205.b3lyp_6-31g(d).log.xz 012113205.mol 012113205.PUBCHEM 012113205.mol (via Jmol)
012113206.b3lyp_6-31g(d).inp

012113206.b3lyp_6-31g(d).qchem.inp (generated)

012113206.b3lyp_6-31g(d).gjf (generated)

012113206.b3lyp_6-31g(d).firefly.inp (generated)

012113206.b3lyp_6-31g(d).smash.inp (generated)

012113206.b3lyp_6-31g(d).nwchem.inp (generated) 012113206.b3lyp_6-31g(d).log.xz 012113206.td-b3lyp_6-31g+(d).inp 012113206.td-b3lyp_6-31g+(d).log.xz

012113206.td-b3lyp_6-31+g(d).qchem.inp (generated)

012113206.td-b3lyp_6-31+g(d).gjf (generated)

012113206.td-b3lyp_6-31+g(d).firefly.inp (generated)

012113206.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012113206.mol 012113206.PUBCHEM 012113206.mol (via Jmol)
012113352.b3lyp_6-31g(d).inp

012113352.b3lyp_6-31g(d).qchem.inp (generated)

012113352.b3lyp_6-31g(d).gjf (generated)

012113352.b3lyp_6-31g(d).firefly.inp (generated)

012113352.b3lyp_6-31g(d).smash.inp (generated)

012113352.b3lyp_6-31g(d).nwchem.inp (generated) 012113352.b3lyp_6-31g(d).log.xz 012113352.mol 012113352.PUBCHEM 012113352.mol (via Jmol)
012113416.b3lyp_6-31g(d).inp

012113416.b3lyp_6-31g(d).qchem.inp (generated)

012113416.b3lyp_6-31g(d).gjf (generated)

012113416.b3lyp_6-31g(d).firefly.inp (generated)

012113416.b3lyp_6-31g(d).smash.inp (generated)

012113416.b3lyp_6-31g(d).nwchem.inp (generated) 012113416.b3lyp_6-31g(d).log.xz 012113416.td-b3lyp_6-31g+(d).inp 012113416.td-b3lyp_6-31g+(d).log.xz

012113416.td-b3lyp_6-31+g(d).qchem.inp (generated)

012113416.td-b3lyp_6-31+g(d).gjf (generated)

012113416.td-b3lyp_6-31+g(d).firefly.inp (generated)

012113416.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012113416.mol 012113416.PUBCHEM 012113416.mol (via Jmol)
012113493.b3lyp_6-31g(d).inp

012113493.b3lyp_6-31g(d).qchem.inp (generated)

012113493.b3lyp_6-31g(d).gjf (generated)

012113493.b3lyp_6-31g(d).firefly.inp (generated)

012113493.b3lyp_6-31g(d).smash.inp (generated)

012113493.b3lyp_6-31g(d).nwchem.inp (generated) 012113493.b3lyp_6-31g(d).log.xz 012113493.td-b3lyp_6-31g+(d).inp 012113493.td-b3lyp_6-31g+(d).log.xz

012113493.td-b3lyp_6-31+g(d).qchem.inp (generated)

012113493.td-b3lyp_6-31+g(d).gjf (generated)

012113493.td-b3lyp_6-31+g(d).firefly.inp (generated)

012113493.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012113493.mol 012113493.PUBCHEM 012113493.mol (via Jmol)
012113602.b3lyp_6-31g(d).inp

012113602.b3lyp_6-31g(d).qchem.inp (generated)

012113602.b3lyp_6-31g(d).gjf (generated)

012113602.b3lyp_6-31g(d).firefly.inp (generated)

012113602.b3lyp_6-31g(d).smash.inp (generated)

012113602.b3lyp_6-31g(d).nwchem.inp (generated) 012113602.b3lyp_6-31g(d).log.xz 012113602.td-b3lyp_6-31g+(d).inp 012113602.td-b3lyp_6-31g+(d).log.xz

012113602.td-b3lyp_6-31+g(d).qchem.inp (generated)

012113602.td-b3lyp_6-31+g(d).gjf (generated)

012113602.td-b3lyp_6-31+g(d).firefly.inp (generated)

012113602.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012113602.mol 012113602.PUBCHEM 012113602.mol (via Jmol)
012113603.b3lyp_6-31g(d).inp

012113603.b3lyp_6-31g(d).qchem.inp (generated)

012113603.b3lyp_6-31g(d).gjf (generated)

012113603.b3lyp_6-31g(d).firefly.inp (generated)

012113603.b3lyp_6-31g(d).smash.inp (generated)

012113603.b3lyp_6-31g(d).nwchem.inp (generated) 012113603.b3lyp_6-31g(d).log.xz 012113603.td-b3lyp_6-31g+(d).inp 012113603.td-b3lyp_6-31g+(d).log.xz

012113603.td-b3lyp_6-31+g(d).qchem.inp (generated)

012113603.td-b3lyp_6-31+g(d).gjf (generated)

012113603.td-b3lyp_6-31+g(d).firefly.inp (generated)

012113603.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012113603.mol 012113603.PUBCHEM 012113603.mol (via Jmol)
012114376.b3lyp_6-31g(d).inp

012114376.b3lyp_6-31g(d).qchem.inp (generated)

012114376.b3lyp_6-31g(d).gjf (generated)

012114376.b3lyp_6-31g(d).firefly.inp (generated)

012114376.b3lyp_6-31g(d).smash.inp (generated)

012114376.b3lyp_6-31g(d).nwchem.inp (generated) 012114376.b3lyp_6-31g(d).log.xz 012114376.td-b3lyp_6-31g+(d).inp 012114376.td-b3lyp_6-31g+(d).log.xz

012114376.td-b3lyp_6-31+g(d).qchem.inp (generated)

012114376.td-b3lyp_6-31+g(d).gjf (generated)

012114376.td-b3lyp_6-31+g(d).firefly.inp (generated)

012114376.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012114376.mol 012114376.PUBCHEM 012114376.mol (via Jmol)
012114382.b3lyp_6-31g(d).inp

012114382.b3lyp_6-31g(d).qchem.inp (generated)

012114382.b3lyp_6-31g(d).gjf (generated)

012114382.b3lyp_6-31g(d).firefly.inp (generated)

012114382.b3lyp_6-31g(d).smash.inp (generated)

012114382.b3lyp_6-31g(d).nwchem.inp (generated) 012114382.b3lyp_6-31g(d).log.xz 012114382.td-b3lyp_6-31g+(d).inp 012114382.td-b3lyp_6-31g+(d).log.xz

012114382.td-b3lyp_6-31+g(d).qchem.inp (generated)

012114382.td-b3lyp_6-31+g(d).gjf (generated)

012114382.td-b3lyp_6-31+g(d).firefly.inp (generated)

012114382.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012114382.mol 012114382.PUBCHEM 012114382.mol (via Jmol)
012114388.b3lyp_6-31g(d).inp

012114388.b3lyp_6-31g(d).qchem.inp (generated)

012114388.b3lyp_6-31g(d).gjf (generated)

012114388.b3lyp_6-31g(d).firefly.inp (generated)

012114388.b3lyp_6-31g(d).smash.inp (generated)

012114388.b3lyp_6-31g(d).nwchem.inp (generated) 012114388.b3lyp_6-31g(d).log.xz 012114388.td-b3lyp_6-31g+(d).inp 012114388.td-b3lyp_6-31g+(d).log.xz

012114388.td-b3lyp_6-31+g(d).qchem.inp (generated)

012114388.td-b3lyp_6-31+g(d).gjf (generated)

012114388.td-b3lyp_6-31+g(d).firefly.inp (generated)

012114388.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012114388.mol 012114388.PUBCHEM 012114388.mol (via Jmol)
012114407.b3lyp_6-31g(d).inp

012114407.b3lyp_6-31g(d).qchem.inp (generated)

012114407.b3lyp_6-31g(d).gjf (generated)

012114407.b3lyp_6-31g(d).firefly.inp (generated)

012114407.b3lyp_6-31g(d).smash.inp (generated)

012114407.b3lyp_6-31g(d).nwchem.inp (generated) 012114407.b3lyp_6-31g(d).log.xz 012114407.mol 012114407.PUBCHEM 012114407.mol (via Jmol)
012114408.b3lyp_6-31g(d).inp

012114408.b3lyp_6-31g(d).qchem.inp (generated)

012114408.b3lyp_6-31g(d).gjf (generated)

012114408.b3lyp_6-31g(d).firefly.inp (generated)

012114408.b3lyp_6-31g(d).smash.inp (generated)

012114408.b3lyp_6-31g(d).nwchem.inp (generated) 012114408.b3lyp_6-31g(d).log.xz 012114408.td-b3lyp_6-31g+(d).inp 012114408.td-b3lyp_6-31g+(d).log.xz

012114408.td-b3lyp_6-31+g(d).qchem.inp (generated)

012114408.td-b3lyp_6-31+g(d).gjf (generated)

012114408.td-b3lyp_6-31+g(d).firefly.inp (generated)

012114408.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012114408.mol 012114408.PUBCHEM 012114408.mol (via Jmol)
012114411.b3lyp_6-31g(d).inp

012114411.b3lyp_6-31g(d).qchem.inp (generated)

012114411.b3lyp_6-31g(d).gjf (generated)

012114411.b3lyp_6-31g(d).firefly.inp (generated)

012114411.b3lyp_6-31g(d).smash.inp (generated)

012114411.b3lyp_6-31g(d).nwchem.inp (generated) 012114411.b3lyp_6-31g(d).log.xz 012114411.mol 012114411.PUBCHEM 012114411.mol (via Jmol)
012114431.b3lyp_6-31g(d).inp

012114431.b3lyp_6-31g(d).qchem.inp (generated)

012114431.b3lyp_6-31g(d).gjf (generated)

012114431.b3lyp_6-31g(d).firefly.inp (generated)

012114431.b3lyp_6-31g(d).smash.inp (generated)

012114431.b3lyp_6-31g(d).nwchem.inp (generated) 012114431.b3lyp_6-31g(d).log.xz 012114431.td-b3lyp_6-31g+(d).inp 012114431.td-b3lyp_6-31g+(d).log.xz

012114431.td-b3lyp_6-31+g(d).qchem.inp (generated)

012114431.td-b3lyp_6-31+g(d).gjf (generated)

012114431.td-b3lyp_6-31+g(d).firefly.inp (generated)

012114431.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012114431.mol 012114431.PUBCHEM 012114431.mol (via Jmol)
012114491.b3lyp_6-31g(d).inp

012114491.b3lyp_6-31g(d).qchem.inp (generated)

012114491.b3lyp_6-31g(d).gjf (generated)

012114491.b3lyp_6-31g(d).firefly.inp (generated)

012114491.b3lyp_6-31g(d).smash.inp (generated)

012114491.b3lyp_6-31g(d).nwchem.inp (generated) 012114491.b3lyp_6-31g(d).log.xz 012114491.td-b3lyp_6-31g+(d).inp 012114491.td-b3lyp_6-31g+(d).log.xz

012114491.td-b3lyp_6-31+g(d).qchem.inp (generated)

012114491.td-b3lyp_6-31+g(d).gjf (generated)

012114491.td-b3lyp_6-31+g(d).firefly.inp (generated)

012114491.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012114491.mol 012114491.PUBCHEM 012114491.mol (via Jmol)
012114566.b3lyp_6-31g(d).inp

012114566.b3lyp_6-31g(d).qchem.inp (generated)

012114566.b3lyp_6-31g(d).gjf (generated)

012114566.b3lyp_6-31g(d).firefly.inp (generated)

012114566.b3lyp_6-31g(d).smash.inp (generated)

012114566.b3lyp_6-31g(d).nwchem.inp (generated) 012114566.b3lyp_6-31g(d).log.xz 012114566.td-b3lyp_6-31g+(d).inp 012114566.td-b3lyp_6-31g+(d).log.xz

012114566.td-b3lyp_6-31+g(d).qchem.inp (generated)

012114566.td-b3lyp_6-31+g(d).gjf (generated)

012114566.td-b3lyp_6-31+g(d).firefly.inp (generated)

012114566.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012114566.mol 012114566.PUBCHEM 012114566.mol (via Jmol)
012114710.b3lyp_6-31g(d).inp

012114710.b3lyp_6-31g(d).qchem.inp (generated)

012114710.b3lyp_6-31g(d).gjf (generated)

012114710.b3lyp_6-31g(d).firefly.inp (generated)

012114710.b3lyp_6-31g(d).smash.inp (generated)

012114710.b3lyp_6-31g(d).nwchem.inp (generated) 012114710.b3lyp_6-31g(d).log.xz 012114710.mol 012114710.PUBCHEM 012114710.mol (via Jmol)
012114731.b3lyp_6-31g(d).inp

012114731.b3lyp_6-31g(d).qchem.inp (generated)

012114731.b3lyp_6-31g(d).gjf (generated)

012114731.b3lyp_6-31g(d).firefly.inp (generated)

012114731.b3lyp_6-31g(d).smash.inp (generated)

012114731.b3lyp_6-31g(d).nwchem.inp (generated) 012114731.b3lyp_6-31g(d).log.xz 012114731.td-b3lyp_6-31g+(d).inp 012114731.td-b3lyp_6-31g+(d).log.xz

012114731.td-b3lyp_6-31+g(d).qchem.inp (generated)

012114731.td-b3lyp_6-31+g(d).gjf (generated)

012114731.td-b3lyp_6-31+g(d).firefly.inp (generated)

012114731.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012114731.mol 012114731.PUBCHEM 012114731.mol (via Jmol)
012114849.b3lyp_6-31g(d).inp

012114849.b3lyp_6-31g(d).qchem.inp (generated)

012114849.b3lyp_6-31g(d).gjf (generated)

012114849.b3lyp_6-31g(d).firefly.inp (generated)

012114849.b3lyp_6-31g(d).smash.inp (generated)

012114849.b3lyp_6-31g(d).nwchem.inp (generated) 012114849.b3lyp_6-31g(d).log.xz 012114849.td-b3lyp_6-31g+(d).inp 012114849.td-b3lyp_6-31g+(d).log.xz

012114849.td-b3lyp_6-31+g(d).qchem.inp (generated)

012114849.td-b3lyp_6-31+g(d).gjf (generated)

012114849.td-b3lyp_6-31+g(d).firefly.inp (generated)

012114849.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012114849.mol 012114849.PUBCHEM 012114849.mol (via Jmol)
012114860.b3lyp_6-31g(d).inp

012114860.b3lyp_6-31g(d).qchem.inp (generated)

012114860.b3lyp_6-31g(d).gjf (generated)

012114860.b3lyp_6-31g(d).firefly.inp (generated)

012114860.b3lyp_6-31g(d).smash.inp (generated)

012114860.b3lyp_6-31g(d).nwchem.inp (generated) 012114860.b3lyp_6-31g(d).log.xz 012114860.td-b3lyp_6-31g+(d).inp 012114860.td-b3lyp_6-31g+(d).log.xz

012114860.td-b3lyp_6-31+g(d).qchem.inp (generated)

012114860.td-b3lyp_6-31+g(d).gjf (generated)

012114860.td-b3lyp_6-31+g(d).firefly.inp (generated)

012114860.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012114860.mol 012114860.PUBCHEM 012114860.mol (via Jmol)
012114889.b3lyp_6-31g(d).inp

012114889.b3lyp_6-31g(d).qchem.inp (generated)

012114889.b3lyp_6-31g(d).gjf (generated)

012114889.b3lyp_6-31g(d).firefly.inp (generated)

012114889.b3lyp_6-31g(d).smash.inp (generated)

012114889.b3lyp_6-31g(d).nwchem.inp (generated) 012114889.b3lyp_6-31g(d).log.xz 012114889.td-b3lyp_6-31g+(d).inp 012114889.td-b3lyp_6-31g+(d).log.xz

012114889.td-b3lyp_6-31+g(d).qchem.inp (generated)

012114889.td-b3lyp_6-31+g(d).gjf (generated)

012114889.td-b3lyp_6-31+g(d).firefly.inp (generated)

012114889.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012114889.mol 012114889.PUBCHEM 012114889.mol (via Jmol)
012114953.b3lyp_6-31g(d).inp

012114953.b3lyp_6-31g(d).qchem.inp (generated)

012114953.b3lyp_6-31g(d).gjf (generated)

012114953.b3lyp_6-31g(d).firefly.inp (generated)

012114953.b3lyp_6-31g(d).smash.inp (generated)

012114953.b3lyp_6-31g(d).nwchem.inp (generated) 012114953.b3lyp_6-31g(d).log.xz 012114953.td-b3lyp_6-31g+(d).inp 012114953.td-b3lyp_6-31g+(d).log.xz

012114953.td-b3lyp_6-31+g(d).qchem.inp (generated)

012114953.td-b3lyp_6-31+g(d).gjf (generated)

012114953.td-b3lyp_6-31+g(d).firefly.inp (generated)

012114953.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012114953.mol 012114953.PUBCHEM 012114953.mol (via Jmol)
012114956.b3lyp_6-31g(d).inp

012114956.b3lyp_6-31g(d).qchem.inp (generated)

012114956.b3lyp_6-31g(d).gjf (generated)

012114956.b3lyp_6-31g(d).firefly.inp (generated)

012114956.b3lyp_6-31g(d).smash.inp (generated)

012114956.b3lyp_6-31g(d).nwchem.inp (generated) 012114956.b3lyp_6-31g(d).log.xz 012114956.td-b3lyp_6-31g+(d).inp 012114956.td-b3lyp_6-31g+(d).log.xz

012114956.td-b3lyp_6-31+g(d).qchem.inp (generated)

012114956.td-b3lyp_6-31+g(d).gjf (generated)

012114956.td-b3lyp_6-31+g(d).firefly.inp (generated)

012114956.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012114956.mol 012114956.PUBCHEM 012114956.mol (via Jmol)
012115016.b3lyp_6-31g(d).inp

012115016.b3lyp_6-31g(d).qchem.inp (generated)

012115016.b3lyp_6-31g(d).gjf (generated)

012115016.b3lyp_6-31g(d).firefly.inp (generated)

012115016.b3lyp_6-31g(d).smash.inp (generated)

012115016.b3lyp_6-31g(d).nwchem.inp (generated) 012115016.b3lyp_6-31g(d).log.xz 012115016.mol 012115016.PUBCHEM 012115016.mol (via Jmol)
012115153.b3lyp_6-31g(d).inp

012115153.b3lyp_6-31g(d).qchem.inp (generated)

012115153.b3lyp_6-31g(d).gjf (generated)

012115153.b3lyp_6-31g(d).firefly.inp (generated)

012115153.b3lyp_6-31g(d).smash.inp (generated)

012115153.b3lyp_6-31g(d).nwchem.inp (generated) 012115153.b3lyp_6-31g(d).log.xz 012115153.td-b3lyp_6-31g+(d).inp 012115153.td-b3lyp_6-31g+(d).log.xz

012115153.td-b3lyp_6-31+g(d).qchem.inp (generated)

012115153.td-b3lyp_6-31+g(d).gjf (generated)

012115153.td-b3lyp_6-31+g(d).firefly.inp (generated)

012115153.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012115153.mol 012115153.PUBCHEM 012115153.mol (via Jmol)
012115157.b3lyp_6-31g(d).inp

012115157.b3lyp_6-31g(d).qchem.inp (generated)

012115157.b3lyp_6-31g(d).gjf (generated)

012115157.b3lyp_6-31g(d).firefly.inp (generated)

012115157.b3lyp_6-31g(d).smash.inp (generated)

012115157.b3lyp_6-31g(d).nwchem.inp (generated) 012115157.b3lyp_6-31g(d).log.xz 012115157.td-b3lyp_6-31g+(d).inp 012115157.td-b3lyp_6-31g+(d).log.xz

012115157.td-b3lyp_6-31+g(d).qchem.inp (generated)

012115157.td-b3lyp_6-31+g(d).gjf (generated)

012115157.td-b3lyp_6-31+g(d).firefly.inp (generated)

012115157.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012115157.mol 012115157.PUBCHEM 012115157.mol (via Jmol)
012115167.b3lyp_6-31g(d).inp

012115167.b3lyp_6-31g(d).qchem.inp (generated)

012115167.b3lyp_6-31g(d).gjf (generated)

012115167.b3lyp_6-31g(d).firefly.inp (generated)

012115167.b3lyp_6-31g(d).smash.inp (generated)

012115167.b3lyp_6-31g(d).nwchem.inp (generated) 012115167.b3lyp_6-31g(d).log.xz 012115167.td-b3lyp_6-31g+(d).inp 012115167.td-b3lyp_6-31g+(d).log.xz

012115167.td-b3lyp_6-31+g(d).qchem.inp (generated)

012115167.td-b3lyp_6-31+g(d).gjf (generated)

012115167.td-b3lyp_6-31+g(d).firefly.inp (generated)

012115167.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012115167.mol 012115167.PUBCHEM 012115167.mol (via Jmol)
012115247.b3lyp_6-31g(d).inp

012115247.b3lyp_6-31g(d).qchem.inp (generated)

012115247.b3lyp_6-31g(d).gjf (generated)

012115247.b3lyp_6-31g(d).firefly.inp (generated)

012115247.b3lyp_6-31g(d).smash.inp (generated)

012115247.b3lyp_6-31g(d).nwchem.inp (generated) 012115247.b3lyp_6-31g(d).log.xz 012115247.td-b3lyp_6-31g+(d).inp 012115247.td-b3lyp_6-31g+(d).log.xz

012115247.td-b3lyp_6-31+g(d).qchem.inp (generated)

012115247.td-b3lyp_6-31+g(d).gjf (generated)

012115247.td-b3lyp_6-31+g(d).firefly.inp (generated)

012115247.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012115247.mol 012115247.PUBCHEM 012115247.mol (via Jmol)
012115268.b3lyp_6-31g(d).inp

012115268.b3lyp_6-31g(d).qchem.inp (generated)

012115268.b3lyp_6-31g(d).gjf (generated)

012115268.b3lyp_6-31g(d).firefly.inp (generated)

012115268.b3lyp_6-31g(d).smash.inp (generated)

012115268.b3lyp_6-31g(d).nwchem.inp (generated) 012115268.b3lyp_6-31g(d).log.xz 012115268.mol 012115268.PUBCHEM 012115268.mol (via Jmol)
012115333.b3lyp_6-31g(d).inp

012115333.b3lyp_6-31g(d).qchem.inp (generated)

012115333.b3lyp_6-31g(d).gjf (generated)

012115333.b3lyp_6-31g(d).firefly.inp (generated)

012115333.b3lyp_6-31g(d).smash.inp (generated)

012115333.b3lyp_6-31g(d).nwchem.inp (generated) 012115333.b3lyp_6-31g(d).log.xz 012115333.td-b3lyp_6-31g+(d).inp 012115333.td-b3lyp_6-31g+(d).log.xz

012115333.td-b3lyp_6-31+g(d).qchem.inp (generated)

012115333.td-b3lyp_6-31+g(d).gjf (generated)

012115333.td-b3lyp_6-31+g(d).firefly.inp (generated)

012115333.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012115333.mol 012115333.PUBCHEM 012115333.mol (via Jmol)
012115334.b3lyp_6-31g(d).inp

012115334.b3lyp_6-31g(d).qchem.inp (generated)

012115334.b3lyp_6-31g(d).gjf (generated)

012115334.b3lyp_6-31g(d).firefly.inp (generated)

012115334.b3lyp_6-31g(d).smash.inp (generated)

012115334.b3lyp_6-31g(d).nwchem.inp (generated) 012115334.b3lyp_6-31g(d).log.xz 012115334.td-b3lyp_6-31g+(d).inp 012115334.td-b3lyp_6-31g+(d).log.xz

012115334.td-b3lyp_6-31+g(d).qchem.inp (generated)

012115334.td-b3lyp_6-31+g(d).gjf (generated)

012115334.td-b3lyp_6-31+g(d).firefly.inp (generated)

012115334.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012115334.mol 012115334.PUBCHEM 012115334.mol (via Jmol)
012115335.b3lyp_6-31g(d).inp

012115335.b3lyp_6-31g(d).qchem.inp (generated)

012115335.b3lyp_6-31g(d).gjf (generated)

012115335.b3lyp_6-31g(d).firefly.inp (generated)

012115335.b3lyp_6-31g(d).smash.inp (generated)

012115335.b3lyp_6-31g(d).nwchem.inp (generated) 012115335.b3lyp_6-31g(d).log.xz 012115335.td-b3lyp_6-31g+(d).inp 012115335.td-b3lyp_6-31g+(d).log.xz

012115335.td-b3lyp_6-31+g(d).qchem.inp (generated)

012115335.td-b3lyp_6-31+g(d).gjf (generated)

012115335.td-b3lyp_6-31+g(d).firefly.inp (generated)

012115335.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012115335.mol 012115335.PUBCHEM 012115335.mol (via Jmol)
012115336.b3lyp_6-31g(d).inp

012115336.b3lyp_6-31g(d).qchem.inp (generated)

012115336.b3lyp_6-31g(d).gjf (generated)

012115336.b3lyp_6-31g(d).firefly.inp (generated)

012115336.b3lyp_6-31g(d).smash.inp (generated)

012115336.b3lyp_6-31g(d).nwchem.inp (generated) 012115336.b3lyp_6-31g(d).log.xz 012115336.td-b3lyp_6-31g+(d).inp 012115336.td-b3lyp_6-31g+(d).log.xz

012115336.td-b3lyp_6-31+g(d).qchem.inp (generated)

012115336.td-b3lyp_6-31+g(d).gjf (generated)

012115336.td-b3lyp_6-31+g(d).firefly.inp (generated)

012115336.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012115336.mol 012115336.PUBCHEM 012115336.mol (via Jmol)
012115337.b3lyp_6-31g(d).inp

012115337.b3lyp_6-31g(d).qchem.inp (generated)

012115337.b3lyp_6-31g(d).gjf (generated)

012115337.b3lyp_6-31g(d).firefly.inp (generated)

012115337.b3lyp_6-31g(d).smash.inp (generated)

012115337.b3lyp_6-31g(d).nwchem.inp (generated) 012115337.b3lyp_6-31g(d).log.xz 012115337.td-b3lyp_6-31g+(d).inp 012115337.td-b3lyp_6-31g+(d).log.xz

012115337.td-b3lyp_6-31+g(d).qchem.inp (generated)

012115337.td-b3lyp_6-31+g(d).gjf (generated)

012115337.td-b3lyp_6-31+g(d).firefly.inp (generated)

012115337.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012115337.mol 012115337.PUBCHEM 012115337.mol (via Jmol)
012115338.b3lyp_6-31g(d).inp

012115338.b3lyp_6-31g(d).qchem.inp (generated)

012115338.b3lyp_6-31g(d).gjf (generated)

012115338.b3lyp_6-31g(d).firefly.inp (generated)

012115338.b3lyp_6-31g(d).smash.inp (generated)

012115338.b3lyp_6-31g(d).nwchem.inp (generated) 012115338.b3lyp_6-31g(d).log.xz 012115338.td-b3lyp_6-31g+(d).inp 012115338.td-b3lyp_6-31g+(d).log.xz

012115338.td-b3lyp_6-31+g(d).qchem.inp (generated)

012115338.td-b3lyp_6-31+g(d).gjf (generated)

012115338.td-b3lyp_6-31+g(d).firefly.inp (generated)

012115338.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012115338.mol 012115338.PUBCHEM 012115338.mol (via Jmol)
012115371.b3lyp_6-31g(d).inp

012115371.b3lyp_6-31g(d).qchem.inp (generated)

012115371.b3lyp_6-31g(d).gjf (generated)

012115371.b3lyp_6-31g(d).firefly.inp (generated)

012115371.b3lyp_6-31g(d).smash.inp (generated)

012115371.b3lyp_6-31g(d).nwchem.inp (generated) 012115371.b3lyp_6-31g(d).log.xz 012115371.td-b3lyp_6-31g+(d).inp 012115371.td-b3lyp_6-31g+(d).log.xz

012115371.td-b3lyp_6-31+g(d).qchem.inp (generated)

012115371.td-b3lyp_6-31+g(d).gjf (generated)

012115371.td-b3lyp_6-31+g(d).firefly.inp (generated)

012115371.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012115371.mol 012115371.PUBCHEM 012115371.mol (via Jmol)
012115409.b3lyp_6-31g(d).inp

012115409.b3lyp_6-31g(d).qchem.inp (generated)

012115409.b3lyp_6-31g(d).gjf (generated)

012115409.b3lyp_6-31g(d).firefly.inp (generated)

012115409.b3lyp_6-31g(d).smash.inp (generated)

012115409.b3lyp_6-31g(d).nwchem.inp (generated) 012115409.b3lyp_6-31g(d).log.xz 012115409.td-b3lyp_6-31g+(d).inp 012115409.td-b3lyp_6-31g+(d).log.xz

012115409.td-b3lyp_6-31+g(d).qchem.inp (generated)

012115409.td-b3lyp_6-31+g(d).gjf (generated)

012115409.td-b3lyp_6-31+g(d).firefly.inp (generated)

012115409.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012115409.mol 012115409.PUBCHEM 012115409.mol (via Jmol)
012115481.b3lyp_6-31g(d).inp

012115481.b3lyp_6-31g(d).qchem.inp (generated)

012115481.b3lyp_6-31g(d).gjf (generated)

012115481.b3lyp_6-31g(d).firefly.inp (generated)

012115481.b3lyp_6-31g(d).smash.inp (generated)

012115481.b3lyp_6-31g(d).nwchem.inp (generated) 012115481.b3lyp_6-31g(d).log.xz 012115481.td-b3lyp_6-31g+(d).inp 012115481.td-b3lyp_6-31g+(d).log.xz

012115481.td-b3lyp_6-31+g(d).qchem.inp (generated)

012115481.td-b3lyp_6-31+g(d).gjf (generated)

012115481.td-b3lyp_6-31+g(d).firefly.inp (generated)

012115481.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012115481.mol 012115481.PUBCHEM 012115481.mol (via Jmol)
012115482.b3lyp_6-31g(d).inp

012115482.b3lyp_6-31g(d).qchem.inp (generated)

012115482.b3lyp_6-31g(d).gjf (generated)

012115482.b3lyp_6-31g(d).firefly.inp (generated)

012115482.b3lyp_6-31g(d).smash.inp (generated)

012115482.b3lyp_6-31g(d).nwchem.inp (generated) 012115482.b3lyp_6-31g(d).log.xz 012115482.td-b3lyp_6-31g+(d).inp 012115482.td-b3lyp_6-31g+(d).log.xz

012115482.td-b3lyp_6-31+g(d).qchem.inp (generated)

012115482.td-b3lyp_6-31+g(d).gjf (generated)

012115482.td-b3lyp_6-31+g(d).firefly.inp (generated)

012115482.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012115482.mol 012115482.PUBCHEM 012115482.mol (via Jmol)
012115511.b3lyp_6-31g(d).inp

012115511.b3lyp_6-31g(d).qchem.inp (generated)

012115511.b3lyp_6-31g(d).gjf (generated)

012115511.b3lyp_6-31g(d).firefly.inp (generated)

012115511.b3lyp_6-31g(d).smash.inp (generated)

012115511.b3lyp_6-31g(d).nwchem.inp (generated) 012115511.b3lyp_6-31g(d).log.xz 012115511.td-b3lyp_6-31g+(d).inp 012115511.td-b3lyp_6-31g+(d).log.xz

012115511.td-b3lyp_6-31+g(d).qchem.inp (generated)

012115511.td-b3lyp_6-31+g(d).gjf (generated)

012115511.td-b3lyp_6-31+g(d).firefly.inp (generated)

012115511.td-b3lyp_6-31+g(d).nwchem.inp (generated) 012115511.mol 012115511.PUBCHEM 012115511.mol (via Jmol)
012115512.b3lyp_6-31g(d).inp

012115512.b3lyp_6-31g(d).qchem.inp (generated)

012115512.b3lyp_6-31g(d).gjf (generated)

012115512.b3lyp_6-31g(d).firefly.inp (generated)

012115512.b3lyp_6-31g(d).smash.inp (generated)

012115512.b3lyp_6-31g(d).nwchem.inp (generated) 012115512.b3lyp_6-31g(d).log.xz 012115512.td-b3lyp_6-31g+(d).inp 012115512.td-b3lyp_6-31g+(d).log.xz

012115512.td-b3lyp_6-31+g(d).qchem.inp (generated)