Index of

Last updated : Thu Mar 23 01:58:55 JST 2017
Total : 7594 (7579) in this page
000100001.b3lyp_6-31g(d).inp

000100001.b3lyp_6-31g(d).qchem.inp (generated)

000100001.b3lyp_6-31g(d).gjf (generated)

000100001.b3lyp_6-31g(d).firefly.inp (generated)

000100001.b3lyp_6-31g(d).smash.inp (generated)

000100001.b3lyp_6-31g(d).nwchem.inp (generated) 000100001.b3lyp_6-31g(d).log.xz 000100001.td-b3lyp_6-31g+(d).inp 000100001.td-b3lyp_6-31g+(d).log.xz

000100001.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100001.td-b3lyp_6-31+g(d).gjf (generated)

000100001.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100001.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100001.mol 000100001.PUBCHEM 000100001.mol (via Jmol)
000100005.b3lyp_6-31g(d).inp

000100005.b3lyp_6-31g(d).qchem.inp (generated)

000100005.b3lyp_6-31g(d).gjf (generated)

000100005.b3lyp_6-31g(d).firefly.inp (generated)

000100005.b3lyp_6-31g(d).smash.inp (generated)

000100005.b3lyp_6-31g(d).nwchem.inp (generated) 000100005.b3lyp_6-31g(d).log.xz 000100005.td-b3lyp_6-31g+(d).inp 000100005.td-b3lyp_6-31g+(d).log.xz

000100005.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100005.td-b3lyp_6-31+g(d).gjf (generated)

000100005.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100005.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100005.mol 000100005.PUBCHEM 000100005.mol (via Jmol)
000100008.b3lyp_6-31g(d).inp

000100008.b3lyp_6-31g(d).qchem.inp (generated)

000100008.b3lyp_6-31g(d).gjf (generated)

000100008.b3lyp_6-31g(d).firefly.inp (generated)

000100008.b3lyp_6-31g(d).smash.inp (generated)

000100008.b3lyp_6-31g(d).nwchem.inp (generated) 000100008.b3lyp_6-31g(d).log.xz 000100008.td-b3lyp_6-31g+(d).inp 000100008.td-b3lyp_6-31g+(d).log.xz

000100008.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100008.td-b3lyp_6-31+g(d).gjf (generated)

000100008.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100008.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100008.mol 000100008.PUBCHEM 000100008.mol (via Jmol)
000100010.b3lyp_6-31g(d).inp

000100010.b3lyp_6-31g(d).qchem.inp (generated)

000100010.b3lyp_6-31g(d).gjf (generated)

000100010.b3lyp_6-31g(d).firefly.inp (generated)

000100010.b3lyp_6-31g(d).smash.inp (generated)

000100010.b3lyp_6-31g(d).nwchem.inp (generated) 000100010.b3lyp_6-31g(d).log.xz 000100010.td-b3lyp_6-31g+(d).inp 000100010.td-b3lyp_6-31g+(d).log.xz

000100010.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100010.td-b3lyp_6-31+g(d).gjf (generated)

000100010.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100010.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100010.mol 000100010.PUBCHEM 000100010.mol (via Jmol)
000100015.b3lyp_6-31g(d).inp

000100015.b3lyp_6-31g(d).qchem.inp (generated)

000100015.b3lyp_6-31g(d).gjf (generated)

000100015.b3lyp_6-31g(d).firefly.inp (generated)

000100015.b3lyp_6-31g(d).smash.inp (generated)

000100015.b3lyp_6-31g(d).nwchem.inp (generated) 000100015.b3lyp_6-31g(d).log.xz 000100015.td-b3lyp_6-31g+(d).inp 000100015.td-b3lyp_6-31g+(d).log.xz

000100015.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100015.td-b3lyp_6-31+g(d).gjf (generated)

000100015.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100015.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100015.mol 000100015.PUBCHEM 000100015.mol (via Jmol)
000100016.b3lyp_6-31g(d).inp

000100016.b3lyp_6-31g(d).qchem.inp (generated)

000100016.b3lyp_6-31g(d).gjf (generated)

000100016.b3lyp_6-31g(d).firefly.inp (generated)

000100016.b3lyp_6-31g(d).smash.inp (generated)

000100016.b3lyp_6-31g(d).nwchem.inp (generated) 000100016.b3lyp_6-31g(d).log.xz 000100016.td-b3lyp_6-31g+(d).inp 000100016.td-b3lyp_6-31g+(d).log.xz

000100016.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100016.td-b3lyp_6-31+g(d).gjf (generated)

000100016.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100016.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100016.mol 000100016.PUBCHEM 000100016.mol (via Jmol)
000100019.b3lyp_6-31g(d).inp

000100019.b3lyp_6-31g(d).qchem.inp (generated)

000100019.b3lyp_6-31g(d).gjf (generated)

000100019.b3lyp_6-31g(d).firefly.inp (generated)

000100019.b3lyp_6-31g(d).smash.inp (generated)

000100019.b3lyp_6-31g(d).nwchem.inp (generated) 000100019.b3lyp_6-31g(d).log.xz 000100019.td-b3lyp_6-31g+(d).inp 000100019.td-b3lyp_6-31g+(d).log.xz

000100019.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100019.td-b3lyp_6-31+g(d).gjf (generated)

000100019.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100019.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100019.mol 000100019.PUBCHEM 000100019.mol (via Jmol)
000100028.b3lyp_6-31g(d).inp

000100028.b3lyp_6-31g(d).qchem.inp (generated)

000100028.b3lyp_6-31g(d).gjf (generated)

000100028.b3lyp_6-31g(d).firefly.inp (generated)

000100028.b3lyp_6-31g(d).smash.inp (generated)

000100028.b3lyp_6-31g(d).nwchem.inp (generated) 000100028.b3lyp_6-31g(d).log.xz 000100028.td-b3lyp_6-31g+(d).inp 000100028.td-b3lyp_6-31g+(d).log.xz

000100028.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100028.td-b3lyp_6-31+g(d).gjf (generated)

000100028.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100028.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100028.mol 000100028.PUBCHEM 000100028.mol (via Jmol)
000100029.b3lyp_6-31g(d).inp

000100029.b3lyp_6-31g(d).qchem.inp (generated)

000100029.b3lyp_6-31g(d).gjf (generated)

000100029.b3lyp_6-31g(d).firefly.inp (generated)

000100029.b3lyp_6-31g(d).smash.inp (generated)

000100029.b3lyp_6-31g(d).nwchem.inp (generated) 000100029.b3lyp_6-31g(d).log.xz 000100029.td-b3lyp_6-31g+(d).inp 000100029.td-b3lyp_6-31g+(d).log.xz

000100029.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100029.td-b3lyp_6-31+g(d).gjf (generated)

000100029.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100029.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100029.mol 000100029.PUBCHEM 000100029.mol (via Jmol)
000100030.b3lyp_6-31g(d).inp

000100030.b3lyp_6-31g(d).qchem.inp (generated)

000100030.b3lyp_6-31g(d).gjf (generated)

000100030.b3lyp_6-31g(d).firefly.inp (generated)

000100030.b3lyp_6-31g(d).smash.inp (generated)

000100030.b3lyp_6-31g(d).nwchem.inp (generated) 000100030.b3lyp_6-31g(d).log.xz 000100030.td-b3lyp_6-31g+(d).inp 000100030.td-b3lyp_6-31g+(d).log.xz

000100030.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100030.td-b3lyp_6-31+g(d).gjf (generated)

000100030.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100030.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100030.mol 000100030.PUBCHEM 000100030.mol (via Jmol)
000100031.b3lyp_6-31g(d).inp

000100031.b3lyp_6-31g(d).qchem.inp (generated)

000100031.b3lyp_6-31g(d).gjf (generated)

000100031.b3lyp_6-31g(d).firefly.inp (generated)

000100031.b3lyp_6-31g(d).smash.inp (generated)

000100031.b3lyp_6-31g(d).nwchem.inp (generated) 000100031.b3lyp_6-31g(d).log.xz 000100031.td-b3lyp_6-31g+(d).inp 000100031.td-b3lyp_6-31g+(d).log.xz

000100031.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100031.td-b3lyp_6-31+g(d).gjf (generated)

000100031.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100031.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100031.mol 000100031.PUBCHEM 000100031.mol (via Jmol)
000100042.b3lyp_6-31g(d).inp

000100042.b3lyp_6-31g(d).qchem.inp (generated)

000100042.b3lyp_6-31g(d).gjf (generated)

000100042.b3lyp_6-31g(d).firefly.inp (generated)

000100042.b3lyp_6-31g(d).smash.inp (generated)

000100042.b3lyp_6-31g(d).nwchem.inp (generated) 000100042.b3lyp_6-31g(d).log.xz 000100042.td-b3lyp_6-31g+(d).inp 000100042.td-b3lyp_6-31g+(d).log.xz

000100042.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100042.td-b3lyp_6-31+g(d).gjf (generated)

000100042.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100042.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100042.mol 000100042.PUBCHEM 000100042.mol (via Jmol)
000100043.b3lyp_6-31g(d).inp

000100043.b3lyp_6-31g(d).qchem.inp (generated)

000100043.b3lyp_6-31g(d).gjf (generated)

000100043.b3lyp_6-31g(d).firefly.inp (generated)

000100043.b3lyp_6-31g(d).smash.inp (generated)

000100043.b3lyp_6-31g(d).nwchem.inp (generated) 000100043.b3lyp_6-31g(d).log.xz 000100043.td-b3lyp_6-31g+(d).inp 000100043.td-b3lyp_6-31g+(d).log.xz

000100043.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100043.td-b3lyp_6-31+g(d).gjf (generated)

000100043.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100043.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100043.mol 000100043.PUBCHEM 000100043.mol (via Jmol)
000100047.b3lyp_6-31g(d).inp

000100047.b3lyp_6-31g(d).qchem.inp (generated)

000100047.b3lyp_6-31g(d).gjf (generated)

000100047.b3lyp_6-31g(d).firefly.inp (generated)

000100047.b3lyp_6-31g(d).smash.inp (generated)

000100047.b3lyp_6-31g(d).nwchem.inp (generated) 000100047.b3lyp_6-31g(d).log.xz 000100047.td-b3lyp_6-31g+(d).inp 000100047.td-b3lyp_6-31g+(d).log.xz

000100047.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100047.td-b3lyp_6-31+g(d).gjf (generated)

000100047.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100047.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100047.mol 000100047.PUBCHEM 000100047.mol (via Jmol)
000100054.b3lyp_6-31g(d).inp

000100054.b3lyp_6-31g(d).qchem.inp (generated)

000100054.b3lyp_6-31g(d).gjf (generated)

000100054.b3lyp_6-31g(d).firefly.inp (generated)

000100054.b3lyp_6-31g(d).smash.inp (generated)

000100054.b3lyp_6-31g(d).nwchem.inp (generated) 000100054.b3lyp_6-31g(d).log.xz 000100054.td-b3lyp_6-31g+(d).inp 000100054.td-b3lyp_6-31g+(d).log.xz

000100054.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100054.td-b3lyp_6-31+g(d).gjf (generated)

000100054.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100054.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100054.mol 000100054.PUBCHEM 000100054.mol (via Jmol)
000100061.b3lyp_6-31g(d).inp

000100061.b3lyp_6-31g(d).qchem.inp (generated)

000100061.b3lyp_6-31g(d).gjf (generated)

000100061.b3lyp_6-31g(d).firefly.inp (generated)

000100061.b3lyp_6-31g(d).smash.inp (generated)

000100061.b3lyp_6-31g(d).nwchem.inp (generated) 000100061.b3lyp_6-31g(d).log.xz 000100061.td-b3lyp_6-31g+(d).inp 000100061.td-b3lyp_6-31g+(d).log.xz

000100061.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100061.td-b3lyp_6-31+g(d).gjf (generated)

000100061.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100061.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100061.mol 000100061.PUBCHEM 000100061.mol (via Jmol)
000100063.b3lyp_6-31g(d).inp

000100063.b3lyp_6-31g(d).qchem.inp (generated)

000100063.b3lyp_6-31g(d).gjf (generated)

000100063.b3lyp_6-31g(d).firefly.inp (generated)

000100063.b3lyp_6-31g(d).smash.inp (generated)

000100063.b3lyp_6-31g(d).nwchem.inp (generated) 000100063.b3lyp_6-31g(d).log.xz 000100063.td-b3lyp_6-31g+(d).inp 000100063.td-b3lyp_6-31g+(d).log.xz

000100063.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100063.td-b3lyp_6-31+g(d).gjf (generated)

000100063.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100063.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100063.mol 000100063.PUBCHEM 000100063.mol (via Jmol)
000100070.b3lyp_6-31g(d).inp

000100070.b3lyp_6-31g(d).qchem.inp (generated)

000100070.b3lyp_6-31g(d).gjf (generated)

000100070.b3lyp_6-31g(d).firefly.inp (generated)

000100070.b3lyp_6-31g(d).smash.inp (generated)

000100070.b3lyp_6-31g(d).nwchem.inp (generated) 000100070.b3lyp_6-31g(d).log.xz 000100070.td-b3lyp_6-31g+(d).inp 000100070.td-b3lyp_6-31g+(d).log.xz

000100070.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100070.td-b3lyp_6-31+g(d).gjf (generated)

000100070.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100070.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100070.mol 000100070.PUBCHEM 000100070.mol (via Jmol)
000100071.b3lyp_6-31g(d).inp

000100071.b3lyp_6-31g(d).qchem.inp (generated)

000100071.b3lyp_6-31g(d).gjf (generated)

000100071.b3lyp_6-31g(d).firefly.inp (generated)

000100071.b3lyp_6-31g(d).smash.inp (generated)

000100071.b3lyp_6-31g(d).nwchem.inp (generated) 000100071.b3lyp_6-31g(d).log.xz 000100071.td-b3lyp_6-31g+(d).inp 000100071.td-b3lyp_6-31g+(d).log.xz

000100071.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100071.td-b3lyp_6-31+g(d).gjf (generated)

000100071.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100071.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100071.mol 000100071.PUBCHEM 000100071.mol (via Jmol)
000100075.b3lyp_6-31g(d).inp

000100075.b3lyp_6-31g(d).qchem.inp (generated)

000100075.b3lyp_6-31g(d).gjf (generated)

000100075.b3lyp_6-31g(d).firefly.inp (generated)

000100075.b3lyp_6-31g(d).smash.inp (generated)

000100075.b3lyp_6-31g(d).nwchem.inp (generated) 000100075.b3lyp_6-31g(d).log.xz 000100075.td-b3lyp_6-31g+(d).inp 000100075.td-b3lyp_6-31g+(d).log.xz

000100075.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100075.td-b3lyp_6-31+g(d).gjf (generated)

000100075.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100075.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100075.mol 000100075.PUBCHEM 000100075.mol (via Jmol)
000100076.b3lyp_6-31g(d).inp

000100076.b3lyp_6-31g(d).qchem.inp (generated)

000100076.b3lyp_6-31g(d).gjf (generated)

000100076.b3lyp_6-31g(d).firefly.inp (generated)

000100076.b3lyp_6-31g(d).smash.inp (generated)

000100076.b3lyp_6-31g(d).nwchem.inp (generated) 000100076.b3lyp_6-31g(d).log.xz 000100076.td-b3lyp_6-31g+(d).inp 000100076.td-b3lyp_6-31g+(d).log.xz

000100076.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100076.td-b3lyp_6-31+g(d).gjf (generated)

000100076.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100076.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100076.mol 000100076.PUBCHEM 000100076.mol (via Jmol)
000100077.b3lyp_6-31g(d).inp

000100077.b3lyp_6-31g(d).qchem.inp (generated)

000100077.b3lyp_6-31g(d).gjf (generated)

000100077.b3lyp_6-31g(d).firefly.inp (generated)

000100077.b3lyp_6-31g(d).smash.inp (generated)

000100077.b3lyp_6-31g(d).nwchem.inp (generated) 000100077.b3lyp_6-31g(d).log.xz 000100077.td-b3lyp_6-31g+(d).inp 000100077.td-b3lyp_6-31g+(d).log.xz

000100077.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100077.td-b3lyp_6-31+g(d).gjf (generated)

000100077.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100077.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100077.mol 000100077.PUBCHEM 000100077.mol (via Jmol)
000100098.b3lyp_6-31g(d).inp

000100098.b3lyp_6-31g(d).qchem.inp (generated)

000100098.b3lyp_6-31g(d).gjf (generated)

000100098.b3lyp_6-31g(d).firefly.inp (generated)

000100098.b3lyp_6-31g(d).smash.inp (generated)

000100098.b3lyp_6-31g(d).nwchem.inp (generated) 000100098.b3lyp_6-31g(d).log.xz 000100098.td-b3lyp_6-31g+(d).inp 000100098.td-b3lyp_6-31g+(d).log.xz

000100098.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100098.td-b3lyp_6-31+g(d).gjf (generated)

000100098.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100098.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100098.mol 000100098.PUBCHEM 000100098.mol (via Jmol)
000100099.b3lyp_6-31g(d).inp

000100099.b3lyp_6-31g(d).qchem.inp (generated)

000100099.b3lyp_6-31g(d).gjf (generated)

000100099.b3lyp_6-31g(d).firefly.inp (generated)

000100099.b3lyp_6-31g(d).smash.inp (generated)

000100099.b3lyp_6-31g(d).nwchem.inp (generated) 000100099.b3lyp_6-31g(d).log.xz 000100099.td-b3lyp_6-31g+(d).inp 000100099.td-b3lyp_6-31g+(d).log.xz

000100099.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100099.td-b3lyp_6-31+g(d).gjf (generated)

000100099.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100099.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100099.mol 000100099.PUBCHEM 000100099.mol (via Jmol)
000100100.b3lyp_6-31g(d).inp

000100100.b3lyp_6-31g(d).qchem.inp (generated)

000100100.b3lyp_6-31g(d).gjf (generated)

000100100.b3lyp_6-31g(d).firefly.inp (generated)

000100100.b3lyp_6-31g(d).smash.inp (generated)

000100100.b3lyp_6-31g(d).nwchem.inp (generated) 000100100.b3lyp_6-31g(d).log.xz 000100100.td-b3lyp_6-31g+(d).inp 000100100.td-b3lyp_6-31g+(d).log.xz

000100100.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100100.td-b3lyp_6-31+g(d).gjf (generated)

000100100.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100100.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100100.mol 000100100.PUBCHEM 000100100.mol (via Jmol)
000100116.b3lyp_6-31g(d).inp

000100116.b3lyp_6-31g(d).qchem.inp (generated)

000100116.b3lyp_6-31g(d).gjf (generated)

000100116.b3lyp_6-31g(d).firefly.inp (generated)

000100116.b3lyp_6-31g(d).smash.inp (generated)

000100116.b3lyp_6-31g(d).nwchem.inp (generated) 000100116.b3lyp_6-31g(d).log.xz 000100116.td-b3lyp_6-31g+(d).inp 000100116.td-b3lyp_6-31g+(d).log.xz

000100116.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100116.td-b3lyp_6-31+g(d).gjf (generated)

000100116.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100116.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100116.mol 000100116.PUBCHEM 000100116.mol (via Jmol)
000100119.b3lyp_6-31g(d).inp

000100119.b3lyp_6-31g(d).qchem.inp (generated)

000100119.b3lyp_6-31g(d).gjf (generated)

000100119.b3lyp_6-31g(d).firefly.inp (generated)

000100119.b3lyp_6-31g(d).smash.inp (generated)

000100119.b3lyp_6-31g(d).nwchem.inp (generated) 000100119.b3lyp_6-31g(d).log.xz 000100119.td-b3lyp_6-31g+(d).inp 000100119.td-b3lyp_6-31g+(d).log.xz

000100119.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100119.td-b3lyp_6-31+g(d).gjf (generated)

000100119.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100119.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100119.mol 000100119.PUBCHEM 000100119.mol (via Jmol)
000100122.b3lyp_6-31g(d).inp

000100122.b3lyp_6-31g(d).qchem.inp (generated)

000100122.b3lyp_6-31g(d).gjf (generated)

000100122.b3lyp_6-31g(d).firefly.inp (generated)

000100122.b3lyp_6-31g(d).smash.inp (generated)

000100122.b3lyp_6-31g(d).nwchem.inp (generated) 000100122.b3lyp_6-31g(d).log.xz 000100122.td-b3lyp_6-31g+(d).inp 000100122.td-b3lyp_6-31g+(d).log.xz

000100122.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100122.td-b3lyp_6-31+g(d).gjf (generated)

000100122.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100122.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100122.mol 000100122.PUBCHEM 000100122.mol (via Jmol)
000100123.b3lyp_6-31g(d).inp

000100123.b3lyp_6-31g(d).qchem.inp (generated)

000100123.b3lyp_6-31g(d).gjf (generated)

000100123.b3lyp_6-31g(d).firefly.inp (generated)

000100123.b3lyp_6-31g(d).smash.inp (generated)

000100123.b3lyp_6-31g(d).nwchem.inp (generated) 000100123.b3lyp_6-31g(d).log.xz 000100123.td-b3lyp_6-31g+(d).inp 000100123.td-b3lyp_6-31g+(d).log.xz

000100123.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100123.td-b3lyp_6-31+g(d).gjf (generated)

000100123.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100123.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100123.mol 000100123.PUBCHEM 000100123.mol (via Jmol)
000100131.b3lyp_6-31g(d).inp

000100131.b3lyp_6-31g(d).qchem.inp (generated)

000100131.b3lyp_6-31g(d).gjf (generated)

000100131.b3lyp_6-31g(d).firefly.inp (generated)

000100131.b3lyp_6-31g(d).smash.inp (generated)

000100131.b3lyp_6-31g(d).nwchem.inp (generated) 000100131.b3lyp_6-31g(d).log.xz 000100131.td-b3lyp_6-31g+(d).inp 000100131.td-b3lyp_6-31g+(d).log.xz

000100131.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100131.td-b3lyp_6-31+g(d).gjf (generated)

000100131.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100131.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100131.mol 000100131.PUBCHEM 000100131.mol (via Jmol)
000100134.b3lyp_6-31g(d).inp

000100134.b3lyp_6-31g(d).qchem.inp (generated)

000100134.b3lyp_6-31g(d).gjf (generated)

000100134.b3lyp_6-31g(d).firefly.inp (generated)

000100134.b3lyp_6-31g(d).smash.inp (generated)

000100134.b3lyp_6-31g(d).nwchem.inp (generated) 000100134.b3lyp_6-31g(d).log.xz 000100134.td-b3lyp_6-31g+(d).inp 000100134.td-b3lyp_6-31g+(d).log.xz

000100134.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100134.td-b3lyp_6-31+g(d).gjf (generated)

000100134.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100134.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100134.mol 000100134.PUBCHEM 000100134.mol (via Jmol)
000100137.b3lyp_6-31g(d).inp

000100137.b3lyp_6-31g(d).qchem.inp (generated)

000100137.b3lyp_6-31g(d).gjf (generated)

000100137.b3lyp_6-31g(d).firefly.inp (generated)

000100137.b3lyp_6-31g(d).smash.inp (generated)

000100137.b3lyp_6-31g(d).nwchem.inp (generated) 000100137.b3lyp_6-31g(d).log.xz 000100137.td-b3lyp_6-31g+(d).inp 000100137.td-b3lyp_6-31g+(d).log.xz

000100137.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100137.td-b3lyp_6-31+g(d).gjf (generated)

000100137.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100137.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100137.mol 000100137.PUBCHEM 000100137.mol (via Jmol)
000100138.b3lyp_6-31g(d).inp

000100138.b3lyp_6-31g(d).qchem.inp (generated)

000100138.b3lyp_6-31g(d).gjf (generated)

000100138.b3lyp_6-31g(d).firefly.inp (generated)

000100138.b3lyp_6-31g(d).smash.inp (generated)

000100138.b3lyp_6-31g(d).nwchem.inp (generated) 000100138.b3lyp_6-31g(d).log.xz 000100138.td-b3lyp_6-31g+(d).inp 000100138.td-b3lyp_6-31g+(d).log.xz

000100138.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100138.td-b3lyp_6-31+g(d).gjf (generated)

000100138.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100138.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100138.mol 000100138.PUBCHEM 000100138.mol (via Jmol)
000100139.b3lyp_6-31g(d).inp

000100139.b3lyp_6-31g(d).qchem.inp (generated)

000100139.b3lyp_6-31g(d).gjf (generated)

000100139.b3lyp_6-31g(d).firefly.inp (generated)

000100139.b3lyp_6-31g(d).smash.inp (generated)

000100139.b3lyp_6-31g(d).nwchem.inp (generated) 000100139.b3lyp_6-31g(d).log.xz 000100139.td-b3lyp_6-31g+(d).inp 000100139.td-b3lyp_6-31g+(d).log.xz

000100139.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100139.td-b3lyp_6-31+g(d).gjf (generated)

000100139.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100139.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100139.mol 000100139.PUBCHEM 000100139.mol (via Jmol)
000100145.b3lyp_6-31g(d).inp

000100145.b3lyp_6-31g(d).qchem.inp (generated)

000100145.b3lyp_6-31g(d).gjf (generated)

000100145.b3lyp_6-31g(d).firefly.inp (generated)

000100145.b3lyp_6-31g(d).smash.inp (generated)

000100145.b3lyp_6-31g(d).nwchem.inp (generated) 000100145.b3lyp_6-31g(d).log.xz 000100145.td-b3lyp_6-31g+(d).inp 000100145.td-b3lyp_6-31g+(d).log.xz

000100145.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100145.td-b3lyp_6-31+g(d).gjf (generated)

000100145.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100145.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100145.mol 000100145.PUBCHEM 000100145.mol (via Jmol)
000100148.b3lyp_6-31g(d).inp

000100148.b3lyp_6-31g(d).qchem.inp (generated)

000100148.b3lyp_6-31g(d).gjf (generated)

000100148.b3lyp_6-31g(d).firefly.inp (generated)

000100148.b3lyp_6-31g(d).smash.inp (generated)

000100148.b3lyp_6-31g(d).nwchem.inp (generated) 000100148.b3lyp_6-31g(d).log.xz 000100148.td-b3lyp_6-31g+(d).inp 000100148.td-b3lyp_6-31g+(d).log.xz

000100148.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100148.td-b3lyp_6-31+g(d).gjf (generated)

000100148.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100148.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100148.mol 000100148.PUBCHEM 000100148.mol (via Jmol)
000100153.b3lyp_6-31g(d).inp

000100153.b3lyp_6-31g(d).qchem.inp (generated)

000100153.b3lyp_6-31g(d).gjf (generated)

000100153.b3lyp_6-31g(d).firefly.inp (generated)

000100153.b3lyp_6-31g(d).smash.inp (generated)

000100153.b3lyp_6-31g(d).nwchem.inp (generated) 000100153.b3lyp_6-31g(d).log.xz 000100153.td-b3lyp_6-31g+(d).inp 000100153.td-b3lyp_6-31g+(d).log.xz

000100153.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100153.td-b3lyp_6-31+g(d).gjf (generated)

000100153.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100153.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100153.mol 000100153.PUBCHEM 000100153.mol (via Jmol)
000100155.b3lyp_6-31g(d).inp

000100155.b3lyp_6-31g(d).qchem.inp (generated)

000100155.b3lyp_6-31g(d).gjf (generated)

000100155.b3lyp_6-31g(d).firefly.inp (generated)

000100155.b3lyp_6-31g(d).smash.inp (generated)

000100155.b3lyp_6-31g(d).nwchem.inp (generated) 000100155.b3lyp_6-31g(d).log.xz 000100155.td-b3lyp_6-31g+(d).inp 000100155.td-b3lyp_6-31g+(d).log.xz

000100155.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100155.td-b3lyp_6-31+g(d).gjf (generated)

000100155.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100155.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100155.mol 000100155.PUBCHEM 000100155.mol (via Jmol)
000100160.b3lyp_6-31g(d).inp

000100160.b3lyp_6-31g(d).qchem.inp (generated)

000100160.b3lyp_6-31g(d).gjf (generated)

000100160.b3lyp_6-31g(d).firefly.inp (generated)

000100160.b3lyp_6-31g(d).smash.inp (generated)

000100160.b3lyp_6-31g(d).nwchem.inp (generated) 000100160.b3lyp_6-31g(d).log.xz 000100160.td-b3lyp_6-31g+(d).inp 000100160.td-b3lyp_6-31g+(d).log.xz

000100160.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100160.td-b3lyp_6-31+g(d).gjf (generated)

000100160.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100160.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100160.mol 000100160.PUBCHEM 000100160.mol (via Jmol)
000100162.b3lyp_6-31g(d).inp

000100162.b3lyp_6-31g(d).qchem.inp (generated)

000100162.b3lyp_6-31g(d).gjf (generated)

000100162.b3lyp_6-31g(d).firefly.inp (generated)

000100162.b3lyp_6-31g(d).smash.inp (generated)

000100162.b3lyp_6-31g(d).nwchem.inp (generated) 000100162.b3lyp_6-31g(d).log.xz 000100162.td-b3lyp_6-31g+(d).inp 000100162.td-b3lyp_6-31g+(d).log.xz

000100162.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100162.td-b3lyp_6-31+g(d).gjf (generated)

000100162.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100162.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100162.mol 000100162.PUBCHEM 000100162.mol (via Jmol)
000100164.b3lyp_6-31g(d).inp

000100164.b3lyp_6-31g(d).qchem.inp (generated)

000100164.b3lyp_6-31g(d).gjf (generated)

000100164.b3lyp_6-31g(d).firefly.inp (generated)

000100164.b3lyp_6-31g(d).smash.inp (generated)

000100164.b3lyp_6-31g(d).nwchem.inp (generated) 000100164.b3lyp_6-31g(d).log.xz 000100164.td-b3lyp_6-31g+(d).inp 000100164.td-b3lyp_6-31g+(d).log.xz

000100164.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100164.td-b3lyp_6-31+g(d).gjf (generated)

000100164.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100164.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100164.mol 000100164.PUBCHEM 000100164.mol (via Jmol)
000100165.b3lyp_6-31g(d).inp

000100165.b3lyp_6-31g(d).qchem.inp (generated)

000100165.b3lyp_6-31g(d).gjf (generated)

000100165.b3lyp_6-31g(d).firefly.inp (generated)

000100165.b3lyp_6-31g(d).smash.inp (generated)

000100165.b3lyp_6-31g(d).nwchem.inp (generated) 000100165.b3lyp_6-31g(d).log.xz 000100165.td-b3lyp_6-31g+(d).inp 000100165.td-b3lyp_6-31g+(d).log.xz

000100165.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100165.td-b3lyp_6-31+g(d).gjf (generated)

000100165.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100165.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100165.mol 000100165.PUBCHEM 000100165.mol (via Jmol)
000100167.b3lyp_6-31g(d).inp

000100167.b3lyp_6-31g(d).qchem.inp (generated)

000100167.b3lyp_6-31g(d).gjf (generated)

000100167.b3lyp_6-31g(d).firefly.inp (generated)

000100167.b3lyp_6-31g(d).smash.inp (generated)

000100167.b3lyp_6-31g(d).nwchem.inp (generated) 000100167.b3lyp_6-31g(d).log.xz 000100167.td-b3lyp_6-31g+(d).inp 000100167.td-b3lyp_6-31g+(d).log.xz

000100167.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100167.td-b3lyp_6-31+g(d).gjf (generated)

000100167.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100167.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100167.mol 000100167.PUBCHEM 000100167.mol (via Jmol)
000100177.b3lyp_6-31g(d).inp

000100177.b3lyp_6-31g(d).qchem.inp (generated)

000100177.b3lyp_6-31g(d).gjf (generated)

000100177.b3lyp_6-31g(d).firefly.inp (generated)

000100177.b3lyp_6-31g(d).smash.inp (generated)

000100177.b3lyp_6-31g(d).nwchem.inp (generated) 000100177.b3lyp_6-31g(d).log.xz 000100177.td-b3lyp_6-31g+(d).inp 000100177.td-b3lyp_6-31g+(d).log.xz

000100177.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100177.td-b3lyp_6-31+g(d).gjf (generated)

000100177.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100177.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100177.mol 000100177.PUBCHEM 000100177.mol (via Jmol)
000100178.b3lyp_6-31g(d).inp

000100178.b3lyp_6-31g(d).qchem.inp (generated)

000100178.b3lyp_6-31g(d).gjf (generated)

000100178.b3lyp_6-31g(d).firefly.inp (generated)

000100178.b3lyp_6-31g(d).smash.inp (generated)

000100178.b3lyp_6-31g(d).nwchem.inp (generated) 000100178.b3lyp_6-31g(d).log.xz 000100178.td-b3lyp_6-31g+(d).inp 000100178.td-b3lyp_6-31g+(d).log.xz

000100178.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100178.td-b3lyp_6-31+g(d).gjf (generated)

000100178.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100178.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100178.mol 000100178.PUBCHEM 000100178.mol (via Jmol)
000100185.b3lyp_6-31g(d).inp

000100185.b3lyp_6-31g(d).qchem.inp (generated)

000100185.b3lyp_6-31g(d).gjf (generated)

000100185.b3lyp_6-31g(d).firefly.inp (generated)

000100185.b3lyp_6-31g(d).smash.inp (generated)

000100185.b3lyp_6-31g(d).nwchem.inp (generated) 000100185.b3lyp_6-31g(d).log.xz 000100185.td-b3lyp_6-31g+(d).inp 000100185.td-b3lyp_6-31g+(d).log.xz

000100185.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100185.td-b3lyp_6-31+g(d).gjf (generated)

000100185.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100185.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100185.mol 000100185.PUBCHEM 000100185.mol (via Jmol)
000100186.b3lyp_6-31g(d).inp

000100186.b3lyp_6-31g(d).qchem.inp (generated)

000100186.b3lyp_6-31g(d).gjf (generated)

000100186.b3lyp_6-31g(d).firefly.inp (generated)

000100186.b3lyp_6-31g(d).smash.inp (generated)

000100186.b3lyp_6-31g(d).nwchem.inp (generated) 000100186.b3lyp_6-31g(d).log.xz 000100186.td-b3lyp_6-31g+(d).inp 000100186.td-b3lyp_6-31g+(d).log.xz

000100186.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100186.td-b3lyp_6-31+g(d).gjf (generated)

000100186.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100186.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100186.mol 000100186.PUBCHEM 000100186.mol (via Jmol)
000100190.b3lyp_6-31g(d).inp

000100190.b3lyp_6-31g(d).qchem.inp (generated)

000100190.b3lyp_6-31g(d).gjf (generated)

000100190.b3lyp_6-31g(d).firefly.inp (generated)

000100190.b3lyp_6-31g(d).smash.inp (generated)

000100190.b3lyp_6-31g(d).nwchem.inp (generated) 000100190.b3lyp_6-31g(d).log.xz 000100190.td-b3lyp_6-31g+(d).inp 000100190.td-b3lyp_6-31g+(d).log.xz

000100190.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100190.td-b3lyp_6-31+g(d).gjf (generated)

000100190.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100190.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100190.mol 000100190.PUBCHEM 000100190.mol (via Jmol)
000100192.b3lyp_6-31g(d).inp

000100192.b3lyp_6-31g(d).qchem.inp (generated)

000100192.b3lyp_6-31g(d).gjf (generated)

000100192.b3lyp_6-31g(d).firefly.inp (generated)

000100192.b3lyp_6-31g(d).smash.inp (generated)

000100192.b3lyp_6-31g(d).nwchem.inp (generated) 000100192.b3lyp_6-31g(d).log.xz 000100192.td-b3lyp_6-31g+(d).inp 000100192.td-b3lyp_6-31g+(d).log.xz

000100192.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100192.td-b3lyp_6-31+g(d).gjf (generated)

000100192.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100192.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100192.mol 000100192.PUBCHEM 000100192.mol (via Jmol)
000100193.b3lyp_6-31g(d).inp

000100193.b3lyp_6-31g(d).qchem.inp (generated)

000100193.b3lyp_6-31g(d).gjf (generated)

000100193.b3lyp_6-31g(d).firefly.inp (generated)

000100193.b3lyp_6-31g(d).smash.inp (generated)

000100193.b3lyp_6-31g(d).nwchem.inp (generated) 000100193.b3lyp_6-31g(d).log.xz 000100193.td-b3lyp_6-31g+(d).inp 000100193.td-b3lyp_6-31g+(d).log.xz

000100193.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100193.td-b3lyp_6-31+g(d).gjf (generated)

000100193.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100193.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100193.mol 000100193.PUBCHEM 000100193.mol (via Jmol)
000100194.b3lyp_6-31g(d).inp

000100194.b3lyp_6-31g(d).qchem.inp (generated)

000100194.b3lyp_6-31g(d).gjf (generated)

000100194.b3lyp_6-31g(d).firefly.inp (generated)

000100194.b3lyp_6-31g(d).smash.inp (generated)

000100194.b3lyp_6-31g(d).nwchem.inp (generated) 000100194.b3lyp_6-31g(d).log.xz 000100194.td-b3lyp_6-31g+(d).inp 000100194.td-b3lyp_6-31g+(d).log.xz

000100194.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100194.td-b3lyp_6-31+g(d).gjf (generated)

000100194.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100194.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100194.mol 000100194.PUBCHEM 000100194.mol (via Jmol)
000100197.b3lyp_6-31g(d).inp

000100197.b3lyp_6-31g(d).qchem.inp (generated)

000100197.b3lyp_6-31g(d).gjf (generated)

000100197.b3lyp_6-31g(d).firefly.inp (generated)

000100197.b3lyp_6-31g(d).smash.inp (generated)

000100197.b3lyp_6-31g(d).nwchem.inp (generated) 000100197.b3lyp_6-31g(d).log.xz 000100197.td-b3lyp_6-31g+(d).inp 000100197.td-b3lyp_6-31g+(d).log.xz

000100197.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100197.td-b3lyp_6-31+g(d).gjf (generated)

000100197.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100197.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100197.mol 000100197.PUBCHEM 000100197.mol (via Jmol)
000100198.b3lyp_6-31g(d).inp

000100198.b3lyp_6-31g(d).qchem.inp (generated)

000100198.b3lyp_6-31g(d).gjf (generated)

000100198.b3lyp_6-31g(d).firefly.inp (generated)

000100198.b3lyp_6-31g(d).smash.inp (generated)

000100198.b3lyp_6-31g(d).nwchem.inp (generated) 000100198.b3lyp_6-31g(d).log.xz 000100198.td-b3lyp_6-31g+(d).inp 000100198.td-b3lyp_6-31g+(d).log.xz

000100198.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100198.td-b3lyp_6-31+g(d).gjf (generated)

000100198.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100198.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100198.mol 000100198.PUBCHEM 000100198.mol (via Jmol)
000100200.b3lyp_6-31g(d).inp

000100200.b3lyp_6-31g(d).qchem.inp (generated)

000100200.b3lyp_6-31g(d).gjf (generated)

000100200.b3lyp_6-31g(d).firefly.inp (generated)

000100200.b3lyp_6-31g(d).smash.inp (generated)

000100200.b3lyp_6-31g(d).nwchem.inp (generated) 000100200.b3lyp_6-31g(d).log.xz 000100200.td-b3lyp_6-31g+(d).inp 000100200.td-b3lyp_6-31g+(d).log.xz

000100200.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100200.td-b3lyp_6-31+g(d).gjf (generated)

000100200.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100200.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100200.mol 000100200.PUBCHEM 000100200.mol (via Jmol)
000100204.b3lyp_6-31g(d).inp

000100204.b3lyp_6-31g(d).qchem.inp (generated)

000100204.b3lyp_6-31g(d).gjf (generated)

000100204.b3lyp_6-31g(d).firefly.inp (generated)

000100204.b3lyp_6-31g(d).smash.inp (generated)

000100204.b3lyp_6-31g(d).nwchem.inp (generated) 000100204.b3lyp_6-31g(d).log.xz 000100204.td-b3lyp_6-31g+(d).inp 000100204.td-b3lyp_6-31g+(d).log.xz

000100204.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100204.td-b3lyp_6-31+g(d).gjf (generated)

000100204.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100204.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100204.mol 000100204.PUBCHEM 000100204.mol (via Jmol)
000100210.b3lyp_6-31g(d).inp

000100210.b3lyp_6-31g(d).qchem.inp (generated)

000100210.b3lyp_6-31g(d).gjf (generated)

000100210.b3lyp_6-31g(d).firefly.inp (generated)

000100210.b3lyp_6-31g(d).smash.inp (generated)

000100210.b3lyp_6-31g(d).nwchem.inp (generated) 000100210.b3lyp_6-31g(d).log.xz 000100210.td-b3lyp_6-31g+(d).inp 000100210.td-b3lyp_6-31g+(d).log.xz

000100210.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100210.td-b3lyp_6-31+g(d).gjf (generated)

000100210.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100210.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100210.mol 000100210.PUBCHEM 000100210.mol (via Jmol)
000100212.b3lyp_6-31g(d).inp

000100212.b3lyp_6-31g(d).qchem.inp (generated)

000100212.b3lyp_6-31g(d).gjf (generated)

000100212.b3lyp_6-31g(d).firefly.inp (generated)

000100212.b3lyp_6-31g(d).smash.inp (generated)

000100212.b3lyp_6-31g(d).nwchem.inp (generated) 000100212.b3lyp_6-31g(d).log.xz 000100212.td-b3lyp_6-31g+(d).inp 000100212.td-b3lyp_6-31g+(d).log.xz

000100212.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100212.td-b3lyp_6-31+g(d).gjf (generated)

000100212.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100212.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100212.mol 000100212.PUBCHEM 000100212.mol (via Jmol)
000100215.b3lyp_6-31g(d).inp

000100215.b3lyp_6-31g(d).qchem.inp (generated)

000100215.b3lyp_6-31g(d).gjf (generated)

000100215.b3lyp_6-31g(d).firefly.inp (generated)

000100215.b3lyp_6-31g(d).smash.inp (generated)

000100215.b3lyp_6-31g(d).nwchem.inp (generated) 000100215.b3lyp_6-31g(d).log.xz 000100215.td-b3lyp_6-31g+(d).inp 000100215.td-b3lyp_6-31g+(d).log.xz

000100215.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100215.td-b3lyp_6-31+g(d).gjf (generated)

000100215.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100215.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100215.mol 000100215.PUBCHEM 000100215.mol (via Jmol)
000100223.b3lyp_6-31g(d).inp

000100223.b3lyp_6-31g(d).qchem.inp (generated)

000100223.b3lyp_6-31g(d).gjf (generated)

000100223.b3lyp_6-31g(d).firefly.inp (generated)

000100223.b3lyp_6-31g(d).smash.inp (generated)

000100223.b3lyp_6-31g(d).nwchem.inp (generated) 000100223.b3lyp_6-31g(d).log.xz 000100223.td-b3lyp_6-31g+(d).inp 000100223.td-b3lyp_6-31g+(d).log.xz

000100223.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100223.td-b3lyp_6-31+g(d).gjf (generated)

000100223.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100223.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100223.mol 000100223.PUBCHEM 000100223.mol (via Jmol)
000100226.b3lyp_6-31g(d).inp

000100226.b3lyp_6-31g(d).qchem.inp (generated)

000100226.b3lyp_6-31g(d).gjf (generated)

000100226.b3lyp_6-31g(d).firefly.inp (generated)

000100226.b3lyp_6-31g(d).smash.inp (generated)

000100226.b3lyp_6-31g(d).nwchem.inp (generated) 000100226.b3lyp_6-31g(d).log.xz 000100226.td-b3lyp_6-31g+(d).inp 000100226.td-b3lyp_6-31g+(d).log.xz

000100226.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100226.td-b3lyp_6-31+g(d).gjf (generated)

000100226.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100226.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100226.mol 000100226.PUBCHEM 000100226.mol (via Jmol)
000100227.b3lyp_6-31g(d).inp

000100227.b3lyp_6-31g(d).qchem.inp (generated)

000100227.b3lyp_6-31g(d).gjf (generated)

000100227.b3lyp_6-31g(d).firefly.inp (generated)

000100227.b3lyp_6-31g(d).smash.inp (generated)

000100227.b3lyp_6-31g(d).nwchem.inp (generated) 000100227.b3lyp_6-31g(d).log.xz 000100227.td-b3lyp_6-31g+(d).inp 000100227.td-b3lyp_6-31g+(d).log.xz

000100227.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100227.td-b3lyp_6-31+g(d).gjf (generated)

000100227.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100227.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100227.mol 000100227.PUBCHEM 000100227.mol (via Jmol)
000100234.b3lyp_6-31g(d).inp

000100234.b3lyp_6-31g(d).qchem.inp (generated)

000100234.b3lyp_6-31g(d).gjf (generated)

000100234.b3lyp_6-31g(d).firefly.inp (generated)

000100234.b3lyp_6-31g(d).smash.inp (generated)

000100234.b3lyp_6-31g(d).nwchem.inp (generated) 000100234.b3lyp_6-31g(d).log.xz 000100234.td-b3lyp_6-31g+(d).inp 000100234.td-b3lyp_6-31g+(d).log.xz

000100234.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100234.td-b3lyp_6-31+g(d).gjf (generated)

000100234.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100234.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100234.mol 000100234.PUBCHEM 000100234.mol (via Jmol)
000100235.b3lyp_6-31g(d).inp

000100235.b3lyp_6-31g(d).qchem.inp (generated)

000100235.b3lyp_6-31g(d).gjf (generated)

000100235.b3lyp_6-31g(d).firefly.inp (generated)

000100235.b3lyp_6-31g(d).smash.inp (generated)

000100235.b3lyp_6-31g(d).nwchem.inp (generated) 000100235.b3lyp_6-31g(d).log.xz 000100235.td-b3lyp_6-31g+(d).inp 000100235.td-b3lyp_6-31g+(d).log.xz

000100235.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100235.td-b3lyp_6-31+g(d).gjf (generated)

000100235.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100235.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100235.mol 000100235.PUBCHEM 000100235.mol (via Jmol)
000100236.b3lyp_6-31g(d).inp

000100236.b3lyp_6-31g(d).qchem.inp (generated)

000100236.b3lyp_6-31g(d).gjf (generated)

000100236.b3lyp_6-31g(d).firefly.inp (generated)

000100236.b3lyp_6-31g(d).smash.inp (generated)

000100236.b3lyp_6-31g(d).nwchem.inp (generated) 000100236.b3lyp_6-31g(d).log.xz 000100236.td-b3lyp_6-31g+(d).inp 000100236.td-b3lyp_6-31g+(d).log.xz

000100236.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100236.td-b3lyp_6-31+g(d).gjf (generated)

000100236.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100236.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100236.mol 000100236.PUBCHEM 000100236.mol (via Jmol)
000100237.b3lyp_6-31g(d).inp

000100237.b3lyp_6-31g(d).qchem.inp (generated)

000100237.b3lyp_6-31g(d).gjf (generated)

000100237.b3lyp_6-31g(d).firefly.inp (generated)

000100237.b3lyp_6-31g(d).smash.inp (generated)

000100237.b3lyp_6-31g(d).nwchem.inp (generated) 000100237.b3lyp_6-31g(d).log.xz 000100237.td-b3lyp_6-31g+(d).inp 000100237.td-b3lyp_6-31g+(d).log.xz

000100237.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100237.td-b3lyp_6-31+g(d).gjf (generated)

000100237.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100237.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100237.mol 000100237.PUBCHEM 000100237.mol (via Jmol)
000100240.b3lyp_6-31g(d).inp

000100240.b3lyp_6-31g(d).qchem.inp (generated)

000100240.b3lyp_6-31g(d).gjf (generated)

000100240.b3lyp_6-31g(d).firefly.inp (generated)

000100240.b3lyp_6-31g(d).smash.inp (generated)

000100240.b3lyp_6-31g(d).nwchem.inp (generated) 000100240.b3lyp_6-31g(d).log.xz 000100240.td-b3lyp_6-31g+(d).inp 000100240.td-b3lyp_6-31g+(d).log.xz

000100240.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100240.td-b3lyp_6-31+g(d).gjf (generated)

000100240.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100240.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100240.mol 000100240.PUBCHEM 000100240.mol (via Jmol)
000100241.b3lyp_6-31g(d).inp

000100241.b3lyp_6-31g(d).qchem.inp (generated)

000100241.b3lyp_6-31g(d).gjf (generated)

000100241.b3lyp_6-31g(d).firefly.inp (generated)

000100241.b3lyp_6-31g(d).smash.inp (generated)

000100241.b3lyp_6-31g(d).nwchem.inp (generated) 000100241.b3lyp_6-31g(d).log.xz 000100241.td-b3lyp_6-31g+(d).inp 000100241.td-b3lyp_6-31g+(d).log.xz

000100241.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100241.td-b3lyp_6-31+g(d).gjf (generated)

000100241.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100241.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100241.mol 000100241.PUBCHEM 000100241.mol (via Jmol)
000100243.b3lyp_6-31g(d).inp

000100243.b3lyp_6-31g(d).qchem.inp (generated)

000100243.b3lyp_6-31g(d).gjf (generated)

000100243.b3lyp_6-31g(d).firefly.inp (generated)

000100243.b3lyp_6-31g(d).smash.inp (generated)

000100243.b3lyp_6-31g(d).nwchem.inp (generated) 000100243.b3lyp_6-31g(d).log.xz 000100243.td-b3lyp_6-31g+(d).inp 000100243.td-b3lyp_6-31g+(d).log.xz

000100243.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100243.td-b3lyp_6-31+g(d).gjf (generated)

000100243.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100243.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100243.mol 000100243.PUBCHEM 000100243.mol (via Jmol)
000100244.b3lyp_6-31g(d).inp

000100244.b3lyp_6-31g(d).qchem.inp (generated)

000100244.b3lyp_6-31g(d).gjf (generated)

000100244.b3lyp_6-31g(d).firefly.inp (generated)

000100244.b3lyp_6-31g(d).smash.inp (generated)

000100244.b3lyp_6-31g(d).nwchem.inp (generated) 000100244.b3lyp_6-31g(d).log.xz 000100244.td-b3lyp_6-31g+(d).inp 000100244.td-b3lyp_6-31g+(d).log.xz

000100244.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100244.td-b3lyp_6-31+g(d).gjf (generated)

000100244.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100244.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100244.mol 000100244.PUBCHEM 000100244.mol (via Jmol)
000100245.b3lyp_6-31g(d).inp

000100245.b3lyp_6-31g(d).qchem.inp (generated)

000100245.b3lyp_6-31g(d).gjf (generated)

000100245.b3lyp_6-31g(d).firefly.inp (generated)

000100245.b3lyp_6-31g(d).smash.inp (generated)

000100245.b3lyp_6-31g(d).nwchem.inp (generated) 000100245.b3lyp_6-31g(d).log.xz 000100245.td-b3lyp_6-31g+(d).inp 000100245.td-b3lyp_6-31g+(d).log.xz

000100245.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100245.td-b3lyp_6-31+g(d).gjf (generated)

000100245.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100245.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100245.mol 000100245.PUBCHEM 000100245.mol (via Jmol)
000100259.b3lyp_6-31g(d).inp

000100259.b3lyp_6-31g(d).qchem.inp (generated)

000100259.b3lyp_6-31g(d).gjf (generated)

000100259.b3lyp_6-31g(d).firefly.inp (generated)

000100259.b3lyp_6-31g(d).smash.inp (generated)

000100259.b3lyp_6-31g(d).nwchem.inp (generated) 000100259.b3lyp_6-31g(d).log.xz 000100259.td-b3lyp_6-31g+(d).inp 000100259.td-b3lyp_6-31g+(d).log.xz

000100259.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100259.td-b3lyp_6-31+g(d).gjf (generated)

000100259.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100259.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100259.mol 000100259.PUBCHEM 000100259.mol (via Jmol)
000100262.b3lyp_6-31g(d).inp

000100262.b3lyp_6-31g(d).qchem.inp (generated)

000100262.b3lyp_6-31g(d).gjf (generated)

000100262.b3lyp_6-31g(d).firefly.inp (generated)

000100262.b3lyp_6-31g(d).smash.inp (generated)

000100262.b3lyp_6-31g(d).nwchem.inp (generated) 000100262.b3lyp_6-31g(d).log.xz 000100262.td-b3lyp_6-31g+(d).inp 000100262.td-b3lyp_6-31g+(d).log.xz

000100262.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100262.td-b3lyp_6-31+g(d).gjf (generated)

000100262.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100262.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100262.mol 000100262.PUBCHEM 000100262.mol (via Jmol)
000100263.b3lyp_6-31g(d).inp

000100263.b3lyp_6-31g(d).qchem.inp (generated)

000100263.b3lyp_6-31g(d).gjf (generated)

000100263.b3lyp_6-31g(d).firefly.inp (generated)

000100263.b3lyp_6-31g(d).smash.inp (generated)

000100263.b3lyp_6-31g(d).nwchem.inp (generated) 000100263.b3lyp_6-31g(d).log.xz 000100263.td-b3lyp_6-31g+(d).inp 000100263.td-b3lyp_6-31g+(d).log.xz

000100263.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100263.td-b3lyp_6-31+g(d).gjf (generated)

000100263.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100263.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100263.mol 000100263.PUBCHEM 000100263.mol (via Jmol)
000100264.b3lyp_6-31g(d).inp

000100264.b3lyp_6-31g(d).qchem.inp (generated)

000100264.b3lyp_6-31g(d).gjf (generated)

000100264.b3lyp_6-31g(d).firefly.inp (generated)

000100264.b3lyp_6-31g(d).smash.inp (generated)

000100264.b3lyp_6-31g(d).nwchem.inp (generated) 000100264.b3lyp_6-31g(d).log.xz 000100264.td-b3lyp_6-31g+(d).inp 000100264.td-b3lyp_6-31g+(d).log.xz

000100264.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100264.td-b3lyp_6-31+g(d).gjf (generated)

000100264.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100264.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100264.mol 000100264.PUBCHEM 000100264.mol (via Jmol)
000100270.b3lyp_6-31g(d).inp

000100270.b3lyp_6-31g(d).qchem.inp (generated)

000100270.b3lyp_6-31g(d).gjf (generated)

000100270.b3lyp_6-31g(d).firefly.inp (generated)

000100270.b3lyp_6-31g(d).smash.inp (generated)

000100270.b3lyp_6-31g(d).nwchem.inp (generated) 000100270.b3lyp_6-31g(d).log.xz 000100270.td-b3lyp_6-31g+(d).inp 000100270.td-b3lyp_6-31g+(d).log.xz

000100270.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100270.td-b3lyp_6-31+g(d).gjf (generated)

000100270.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100270.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100270.mol 000100270.PUBCHEM 000100270.mol (via Jmol)
000100278.b3lyp_6-31g(d).inp

000100278.b3lyp_6-31g(d).qchem.inp (generated)

000100278.b3lyp_6-31g(d).gjf (generated)

000100278.b3lyp_6-31g(d).firefly.inp (generated)

000100278.b3lyp_6-31g(d).smash.inp (generated)

000100278.b3lyp_6-31g(d).nwchem.inp (generated) 000100278.b3lyp_6-31g(d).log.xz 000100278.td-b3lyp_6-31g+(d).inp 000100278.td-b3lyp_6-31g+(d).log.xz

000100278.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100278.td-b3lyp_6-31+g(d).gjf (generated)

000100278.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100278.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100278.mol 000100278.PUBCHEM 000100278.mol (via Jmol)
000100288.b3lyp_6-31g(d).inp

000100288.b3lyp_6-31g(d).qchem.inp (generated)

000100288.b3lyp_6-31g(d).gjf (generated)

000100288.b3lyp_6-31g(d).firefly.inp (generated)

000100288.b3lyp_6-31g(d).smash.inp (generated)

000100288.b3lyp_6-31g(d).nwchem.inp (generated) 000100288.b3lyp_6-31g(d).log.xz 000100288.td-b3lyp_6-31g+(d).inp 000100288.td-b3lyp_6-31g+(d).log.xz

000100288.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100288.td-b3lyp_6-31+g(d).gjf (generated)

000100288.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100288.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100288.mol 000100288.PUBCHEM 000100288.mol (via Jmol)
000100293.b3lyp_6-31g(d).inp

000100293.b3lyp_6-31g(d).qchem.inp (generated)

000100293.b3lyp_6-31g(d).gjf (generated)

000100293.b3lyp_6-31g(d).firefly.inp (generated)

000100293.b3lyp_6-31g(d).smash.inp (generated)

000100293.b3lyp_6-31g(d).nwchem.inp (generated) 000100293.b3lyp_6-31g(d).log.xz 000100293.td-b3lyp_6-31g+(d).inp 000100293.td-b3lyp_6-31g+(d).log.xz

000100293.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100293.td-b3lyp_6-31+g(d).gjf (generated)

000100293.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100293.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100293.mol 000100293.PUBCHEM 000100293.mol (via Jmol)
000100298.b3lyp_6-31g(d).inp

000100298.b3lyp_6-31g(d).qchem.inp (generated)

000100298.b3lyp_6-31g(d).gjf (generated)

000100298.b3lyp_6-31g(d).firefly.inp (generated)

000100298.b3lyp_6-31g(d).smash.inp (generated)

000100298.b3lyp_6-31g(d).nwchem.inp (generated) 000100298.b3lyp_6-31g(d).log.xz 000100298.td-b3lyp_6-31g+(d).inp 000100298.td-b3lyp_6-31g+(d).log.xz

000100298.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100298.td-b3lyp_6-31+g(d).gjf (generated)

000100298.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100298.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100298.mol 000100298.PUBCHEM 000100298.mol (via Jmol)
000100300.b3lyp_6-31g(d).inp

000100300.b3lyp_6-31g(d).qchem.inp (generated)

000100300.b3lyp_6-31g(d).gjf (generated)

000100300.b3lyp_6-31g(d).firefly.inp (generated)

000100300.b3lyp_6-31g(d).smash.inp (generated)

000100300.b3lyp_6-31g(d).nwchem.inp (generated) 000100300.b3lyp_6-31g(d).log.xz 000100300.td-b3lyp_6-31g+(d).inp 000100300.td-b3lyp_6-31g+(d).log.xz

000100300.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100300.td-b3lyp_6-31+g(d).gjf (generated)

000100300.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100300.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100300.mol 000100300.PUBCHEM 000100300.mol (via Jmol)
000100304.b3lyp_6-31g(d).inp

000100304.b3lyp_6-31g(d).qchem.inp (generated)

000100304.b3lyp_6-31g(d).gjf (generated)

000100304.b3lyp_6-31g(d).firefly.inp (generated)

000100304.b3lyp_6-31g(d).smash.inp (generated)

000100304.b3lyp_6-31g(d).nwchem.inp (generated) 000100304.b3lyp_6-31g(d).log.xz 000100304.td-b3lyp_6-31g+(d).inp 000100304.td-b3lyp_6-31g+(d).log.xz

000100304.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100304.td-b3lyp_6-31+g(d).gjf (generated)

000100304.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100304.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100304.mol 000100304.PUBCHEM 000100304.mol (via Jmol)
000100309.b3lyp_6-31g(d).inp

000100309.b3lyp_6-31g(d).qchem.inp (generated)

000100309.b3lyp_6-31g(d).gjf (generated)

000100309.b3lyp_6-31g(d).firefly.inp (generated)

000100309.b3lyp_6-31g(d).smash.inp (generated)

000100309.b3lyp_6-31g(d).nwchem.inp (generated) 000100309.b3lyp_6-31g(d).log.xz 000100309.td-b3lyp_6-31g+(d).inp 000100309.td-b3lyp_6-31g+(d).log.xz

000100309.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100309.td-b3lyp_6-31+g(d).gjf (generated)

000100309.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100309.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100309.mol 000100309.PUBCHEM 000100309.mol (via Jmol)
000100310.b3lyp_6-31g(d).inp

000100310.b3lyp_6-31g(d).qchem.inp (generated)

000100310.b3lyp_6-31g(d).gjf (generated)

000100310.b3lyp_6-31g(d).firefly.inp (generated)

000100310.b3lyp_6-31g(d).smash.inp (generated)

000100310.b3lyp_6-31g(d).nwchem.inp (generated) 000100310.b3lyp_6-31g(d).log.xz 000100310.td-b3lyp_6-31g+(d).inp 000100310.td-b3lyp_6-31g+(d).log.xz

000100310.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100310.td-b3lyp_6-31+g(d).gjf (generated)

000100310.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100310.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100310.mol 000100310.PUBCHEM 000100310.mol (via Jmol)
000100312.b3lyp_6-31g(d).inp

000100312.b3lyp_6-31g(d).qchem.inp (generated)

000100312.b3lyp_6-31g(d).gjf (generated)

000100312.b3lyp_6-31g(d).firefly.inp (generated)

000100312.b3lyp_6-31g(d).smash.inp (generated)

000100312.b3lyp_6-31g(d).nwchem.inp (generated) 000100312.b3lyp_6-31g(d).log.xz 000100312.td-b3lyp_6-31g+(d).inp 000100312.td-b3lyp_6-31g+(d).log.xz

000100312.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100312.td-b3lyp_6-31+g(d).gjf (generated)

000100312.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100312.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100312.mol 000100312.PUBCHEM 000100312.mol (via Jmol)
000100318.b3lyp_6-31g(d).inp

000100318.b3lyp_6-31g(d).qchem.inp (generated)

000100318.b3lyp_6-31g(d).gjf (generated)

000100318.b3lyp_6-31g(d).firefly.inp (generated)

000100318.b3lyp_6-31g(d).smash.inp (generated)

000100318.b3lyp_6-31g(d).nwchem.inp (generated) 000100318.b3lyp_6-31g(d).log.xz 000100318.td-b3lyp_6-31g+(d).inp 000100318.td-b3lyp_6-31g+(d).log.xz

000100318.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100318.td-b3lyp_6-31+g(d).gjf (generated)

000100318.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100318.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100318.mol 000100318.PUBCHEM 000100318.mol (via Jmol)
000100319.b3lyp_6-31g(d).inp

000100319.b3lyp_6-31g(d).qchem.inp (generated)

000100319.b3lyp_6-31g(d).gjf (generated)

000100319.b3lyp_6-31g(d).firefly.inp (generated)

000100319.b3lyp_6-31g(d).smash.inp (generated)

000100319.b3lyp_6-31g(d).nwchem.inp (generated) 000100319.b3lyp_6-31g(d).log.xz 000100319.td-b3lyp_6-31g+(d).inp 000100319.td-b3lyp_6-31g+(d).log.xz

000100319.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100319.td-b3lyp_6-31+g(d).gjf (generated)

000100319.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100319.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100319.mol 000100319.PUBCHEM 000100319.mol (via Jmol)
000100321.b3lyp_6-31g(d).inp

000100321.b3lyp_6-31g(d).qchem.inp (generated)

000100321.b3lyp_6-31g(d).gjf (generated)

000100321.b3lyp_6-31g(d).firefly.inp (generated)

000100321.b3lyp_6-31g(d).smash.inp (generated)

000100321.b3lyp_6-31g(d).nwchem.inp (generated) 000100321.b3lyp_6-31g(d).log.xz 000100321.td-b3lyp_6-31g+(d).inp 000100321.td-b3lyp_6-31g+(d).log.xz

000100321.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100321.td-b3lyp_6-31+g(d).gjf (generated)

000100321.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100321.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100321.mol 000100321.PUBCHEM 000100321.mol (via Jmol)
000100323.b3lyp_6-31g(d).inp

000100323.b3lyp_6-31g(d).qchem.inp (generated)

000100323.b3lyp_6-31g(d).gjf (generated)

000100323.b3lyp_6-31g(d).firefly.inp (generated)

000100323.b3lyp_6-31g(d).smash.inp (generated)

000100323.b3lyp_6-31g(d).nwchem.inp (generated) 000100323.b3lyp_6-31g(d).log.xz 000100323.td-b3lyp_6-31g+(d).inp 000100323.td-b3lyp_6-31g+(d).log.xz

000100323.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100323.td-b3lyp_6-31+g(d).gjf (generated)

000100323.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100323.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100323.mol 000100323.PUBCHEM 000100323.mol (via Jmol)
000100328.b3lyp_6-31g(d).inp

000100328.b3lyp_6-31g(d).qchem.inp (generated)

000100328.b3lyp_6-31g(d).gjf (generated)

000100328.b3lyp_6-31g(d).firefly.inp (generated)

000100328.b3lyp_6-31g(d).smash.inp (generated)

000100328.b3lyp_6-31g(d).nwchem.inp (generated) 000100328.b3lyp_6-31g(d).log.xz 000100328.td-b3lyp_6-31g+(d).inp 000100328.td-b3lyp_6-31g+(d).log.xz

000100328.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100328.td-b3lyp_6-31+g(d).gjf (generated)

000100328.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100328.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100328.mol 000100328.PUBCHEM 000100328.mol (via Jmol)
000100332.b3lyp_6-31g(d).inp

000100332.b3lyp_6-31g(d).qchem.inp (generated)

000100332.b3lyp_6-31g(d).gjf (generated)

000100332.b3lyp_6-31g(d).firefly.inp (generated)

000100332.b3lyp_6-31g(d).smash.inp (generated)

000100332.b3lyp_6-31g(d).nwchem.inp (generated) 000100332.b3lyp_6-31g(d).log.xz 000100332.td-b3lyp_6-31g+(d).inp 000100332.td-b3lyp_6-31g+(d).log.xz

000100332.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100332.td-b3lyp_6-31+g(d).gjf (generated)

000100332.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100332.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100332.mol 000100332.PUBCHEM 000100332.mol (via Jmol)
000100333.b3lyp_6-31g(d).inp

000100333.b3lyp_6-31g(d).qchem.inp (generated)

000100333.b3lyp_6-31g(d).gjf (generated)

000100333.b3lyp_6-31g(d).firefly.inp (generated)

000100333.b3lyp_6-31g(d).smash.inp (generated)

000100333.b3lyp_6-31g(d).nwchem.inp (generated) 000100333.b3lyp_6-31g(d).log.xz 000100333.td-b3lyp_6-31g+(d).inp 000100333.td-b3lyp_6-31g+(d).log.xz

000100333.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100333.td-b3lyp_6-31+g(d).gjf (generated)

000100333.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100333.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100333.mol 000100333.PUBCHEM 000100333.mol (via Jmol)
000100341.b3lyp_6-31g(d).inp

000100341.b3lyp_6-31g(d).qchem.inp (generated)

000100341.b3lyp_6-31g(d).gjf (generated)

000100341.b3lyp_6-31g(d).firefly.inp (generated)

000100341.b3lyp_6-31g(d).smash.inp (generated)

000100341.b3lyp_6-31g(d).nwchem.inp (generated) 000100341.b3lyp_6-31g(d).log.xz 000100341.td-b3lyp_6-31g+(d).inp 000100341.td-b3lyp_6-31g+(d).log.xz

000100341.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100341.td-b3lyp_6-31+g(d).gjf (generated)

000100341.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100341.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100341.mol 000100341.PUBCHEM 000100341.mol (via Jmol)
000100343.b3lyp_6-31g(d).inp

000100343.b3lyp_6-31g(d).qchem.inp (generated)

000100343.b3lyp_6-31g(d).gjf (generated)

000100343.b3lyp_6-31g(d).firefly.inp (generated)

000100343.b3lyp_6-31g(d).smash.inp (generated)

000100343.b3lyp_6-31g(d).nwchem.inp (generated) 000100343.b3lyp_6-31g(d).log.xz 000100343.td-b3lyp_6-31g+(d).inp 000100343.td-b3lyp_6-31g+(d).log.xz

000100343.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100343.td-b3lyp_6-31+g(d).gjf (generated)

000100343.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100343.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100343.mol 000100343.PUBCHEM 000100343.mol (via Jmol)
000100344.b3lyp_6-31g(d).inp

000100344.b3lyp_6-31g(d).qchem.inp (generated)

000100344.b3lyp_6-31g(d).gjf (generated)

000100344.b3lyp_6-31g(d).firefly.inp (generated)

000100344.b3lyp_6-31g(d).smash.inp (generated)

000100344.b3lyp_6-31g(d).nwchem.inp (generated) 000100344.b3lyp_6-31g(d).log.xz 000100344.td-b3lyp_6-31g+(d).inp 000100344.td-b3lyp_6-31g+(d).log.xz

000100344.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100344.td-b3lyp_6-31+g(d).gjf (generated)

000100344.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100344.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100344.mol 000100344.PUBCHEM 000100344.mol (via Jmol)
000100345.b3lyp_6-31g(d).inp

000100345.b3lyp_6-31g(d).qchem.inp (generated)

000100345.b3lyp_6-31g(d).gjf (generated)

000100345.b3lyp_6-31g(d).firefly.inp (generated)

000100345.b3lyp_6-31g(d).smash.inp (generated)

000100345.b3lyp_6-31g(d).nwchem.inp (generated) 000100345.b3lyp_6-31g(d).log.xz 000100345.td-b3lyp_6-31g+(d).inp 000100345.td-b3lyp_6-31g+(d).log.xz

000100345.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100345.td-b3lyp_6-31+g(d).gjf (generated)

000100345.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100345.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100345.mol 000100345.PUBCHEM 000100345.mol (via Jmol)
000100356.b3lyp_6-31g(d).inp

000100356.b3lyp_6-31g(d).qchem.inp (generated)

000100356.b3lyp_6-31g(d).gjf (generated)

000100356.b3lyp_6-31g(d).firefly.inp (generated)

000100356.b3lyp_6-31g(d).smash.inp (generated)

000100356.b3lyp_6-31g(d).nwchem.inp (generated) 000100356.b3lyp_6-31g(d).log.xz 000100356.td-b3lyp_6-31g+(d).inp 000100356.td-b3lyp_6-31g+(d).log.xz

000100356.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100356.td-b3lyp_6-31+g(d).gjf (generated)

000100356.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100356.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100356.mol 000100356.PUBCHEM 000100356.mol (via Jmol)
000100366.b3lyp_6-31g(d).inp

000100366.b3lyp_6-31g(d).qchem.inp (generated)

000100366.b3lyp_6-31g(d).gjf (generated)

000100366.b3lyp_6-31g(d).firefly.inp (generated)

000100366.b3lyp_6-31g(d).smash.inp (generated)

000100366.b3lyp_6-31g(d).nwchem.inp (generated) 000100366.b3lyp_6-31g(d).log.xz 000100366.td-b3lyp_6-31g+(d).inp 000100366.td-b3lyp_6-31g+(d).log.xz

000100366.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100366.td-b3lyp_6-31+g(d).gjf (generated)

000100366.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100366.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100366.mol 000100366.PUBCHEM 000100366.mol (via Jmol)
000100378.b3lyp_6-31g(d).inp

000100378.b3lyp_6-31g(d).qchem.inp (generated)

000100378.b3lyp_6-31g(d).gjf (generated)

000100378.b3lyp_6-31g(d).firefly.inp (generated)

000100378.b3lyp_6-31g(d).smash.inp (generated)

000100378.b3lyp_6-31g(d).nwchem.inp (generated) 000100378.b3lyp_6-31g(d).log.xz 000100378.td-b3lyp_6-31g+(d).inp 000100378.td-b3lyp_6-31g+(d).log.xz

000100378.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100378.td-b3lyp_6-31+g(d).gjf (generated)

000100378.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100378.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100378.mol 000100378.PUBCHEM 000100378.mol (via Jmol)
000100379.b3lyp_6-31g(d).inp

000100379.b3lyp_6-31g(d).qchem.inp (generated)

000100379.b3lyp_6-31g(d).gjf (generated)

000100379.b3lyp_6-31g(d).firefly.inp (generated)

000100379.b3lyp_6-31g(d).smash.inp (generated)

000100379.b3lyp_6-31g(d).nwchem.inp (generated) 000100379.b3lyp_6-31g(d).log.xz 000100379.td-b3lyp_6-31g+(d).inp 000100379.td-b3lyp_6-31g+(d).log.xz

000100379.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100379.td-b3lyp_6-31+g(d).gjf (generated)

000100379.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100379.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100379.mol 000100379.PUBCHEM 000100379.mol (via Jmol)
000100380.b3lyp_6-31g(d).inp

000100380.b3lyp_6-31g(d).qchem.inp (generated)

000100380.b3lyp_6-31g(d).gjf (generated)

000100380.b3lyp_6-31g(d).firefly.inp (generated)

000100380.b3lyp_6-31g(d).smash.inp (generated)

000100380.b3lyp_6-31g(d).nwchem.inp (generated) 000100380.b3lyp_6-31g(d).log.xz 000100380.td-b3lyp_6-31g+(d).inp 000100380.td-b3lyp_6-31g+(d).log.xz

000100380.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100380.td-b3lyp_6-31+g(d).gjf (generated)

000100380.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100380.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100380.mol 000100380.PUBCHEM 000100380.mol (via Jmol)
000100381.b3lyp_6-31g(d).inp

000100381.b3lyp_6-31g(d).qchem.inp (generated)

000100381.b3lyp_6-31g(d).gjf (generated)

000100381.b3lyp_6-31g(d).firefly.inp (generated)

000100381.b3lyp_6-31g(d).smash.inp (generated)

000100381.b3lyp_6-31g(d).nwchem.inp (generated) 000100381.b3lyp_6-31g(d).log.xz 000100381.td-b3lyp_6-31g+(d).inp 000100381.td-b3lyp_6-31g+(d).log.xz

000100381.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100381.td-b3lyp_6-31+g(d).gjf (generated)

000100381.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100381.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100381.mol 000100381.PUBCHEM 000100381.mol (via Jmol)
000100383.b3lyp_6-31g(d).inp

000100383.b3lyp_6-31g(d).qchem.inp (generated)

000100383.b3lyp_6-31g(d).gjf (generated)

000100383.b3lyp_6-31g(d).firefly.inp (generated)

000100383.b3lyp_6-31g(d).smash.inp (generated)

000100383.b3lyp_6-31g(d).nwchem.inp (generated) 000100383.b3lyp_6-31g(d).log.xz 000100383.td-b3lyp_6-31g+(d).inp 000100383.td-b3lyp_6-31g+(d).log.xz

000100383.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100383.td-b3lyp_6-31+g(d).gjf (generated)

000100383.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100383.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100383.mol 000100383.PUBCHEM 000100383.mol (via Jmol)
000100384.b3lyp_6-31g(d).inp

000100384.b3lyp_6-31g(d).qchem.inp (generated)

000100384.b3lyp_6-31g(d).gjf (generated)

000100384.b3lyp_6-31g(d).firefly.inp (generated)

000100384.b3lyp_6-31g(d).smash.inp (generated)

000100384.b3lyp_6-31g(d).nwchem.inp (generated) 000100384.b3lyp_6-31g(d).log.xz 000100384.td-b3lyp_6-31g+(d).inp 000100384.td-b3lyp_6-31g+(d).log.xz

000100384.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100384.td-b3lyp_6-31+g(d).gjf (generated)

000100384.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100384.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100384.mol 000100384.PUBCHEM 000100384.mol (via Jmol)
000100385.b3lyp_6-31g(d).inp

000100385.b3lyp_6-31g(d).qchem.inp (generated)

000100385.b3lyp_6-31g(d).gjf (generated)

000100385.b3lyp_6-31g(d).firefly.inp (generated)

000100385.b3lyp_6-31g(d).smash.inp (generated)

000100385.b3lyp_6-31g(d).nwchem.inp (generated) 000100385.b3lyp_6-31g(d).log.xz 000100385.td-b3lyp_6-31g+(d).inp 000100385.td-b3lyp_6-31g+(d).log.xz

000100385.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100385.td-b3lyp_6-31+g(d).gjf (generated)

000100385.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100385.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100385.mol 000100385.PUBCHEM 000100385.mol (via Jmol)
000100390.b3lyp_6-31g(d).inp

000100390.b3lyp_6-31g(d).qchem.inp (generated)

000100390.b3lyp_6-31g(d).gjf (generated)

000100390.b3lyp_6-31g(d).firefly.inp (generated)

000100390.b3lyp_6-31g(d).smash.inp (generated)

000100390.b3lyp_6-31g(d).nwchem.inp (generated) 000100390.b3lyp_6-31g(d).log.xz 000100390.td-b3lyp_6-31g+(d).inp 000100390.td-b3lyp_6-31g+(d).log.xz

000100390.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100390.td-b3lyp_6-31+g(d).gjf (generated)

000100390.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100390.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100390.mol 000100390.PUBCHEM 000100390.mol (via Jmol)
000100393.b3lyp_6-31g(d).inp

000100393.b3lyp_6-31g(d).qchem.inp (generated)

000100393.b3lyp_6-31g(d).gjf (generated)

000100393.b3lyp_6-31g(d).firefly.inp (generated)

000100393.b3lyp_6-31g(d).smash.inp (generated)

000100393.b3lyp_6-31g(d).nwchem.inp (generated) 000100393.b3lyp_6-31g(d).log.xz 000100393.td-b3lyp_6-31g+(d).inp 000100393.td-b3lyp_6-31g+(d).log.xz

000100393.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100393.td-b3lyp_6-31+g(d).gjf (generated)

000100393.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100393.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100393.mol 000100393.PUBCHEM 000100393.mol (via Jmol)
000100394.b3lyp_6-31g(d).inp

000100394.b3lyp_6-31g(d).qchem.inp (generated)

000100394.b3lyp_6-31g(d).gjf (generated)

000100394.b3lyp_6-31g(d).firefly.inp (generated)

000100394.b3lyp_6-31g(d).smash.inp (generated)

000100394.b3lyp_6-31g(d).nwchem.inp (generated) 000100394.b3lyp_6-31g(d).log.xz 000100394.td-b3lyp_6-31g+(d).inp 000100394.td-b3lyp_6-31g+(d).log.xz

000100394.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100394.td-b3lyp_6-31+g(d).gjf (generated)

000100394.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100394.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100394.mol 000100394.PUBCHEM 000100394.mol (via Jmol)
000100395.b3lyp_6-31g(d).inp

000100395.b3lyp_6-31g(d).qchem.inp (generated)

000100395.b3lyp_6-31g(d).gjf (generated)

000100395.b3lyp_6-31g(d).firefly.inp (generated)

000100395.b3lyp_6-31g(d).smash.inp (generated)

000100395.b3lyp_6-31g(d).nwchem.inp (generated) 000100395.b3lyp_6-31g(d).log.xz 000100395.td-b3lyp_6-31g+(d).inp 000100395.td-b3lyp_6-31g+(d).log.xz

000100395.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100395.td-b3lyp_6-31+g(d).gjf (generated)

000100395.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100395.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100395.mol 000100395.PUBCHEM 000100395.mol (via Jmol)
000100396.b3lyp_6-31g(d).inp

000100396.b3lyp_6-31g(d).qchem.inp (generated)

000100396.b3lyp_6-31g(d).gjf (generated)

000100396.b3lyp_6-31g(d).firefly.inp (generated)

000100396.b3lyp_6-31g(d).smash.inp (generated)

000100396.b3lyp_6-31g(d).nwchem.inp (generated) 000100396.b3lyp_6-31g(d).log.xz 000100396.td-b3lyp_6-31g+(d).inp 000100396.td-b3lyp_6-31g+(d).log.xz

000100396.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100396.td-b3lyp_6-31+g(d).gjf (generated)

000100396.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100396.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100396.mol 000100396.PUBCHEM 000100396.mol (via Jmol)
000100397.b3lyp_6-31g(d).inp

000100397.b3lyp_6-31g(d).qchem.inp (generated)

000100397.b3lyp_6-31g(d).gjf (generated)

000100397.b3lyp_6-31g(d).firefly.inp (generated)

000100397.b3lyp_6-31g(d).smash.inp (generated)

000100397.b3lyp_6-31g(d).nwchem.inp (generated) 000100397.b3lyp_6-31g(d).log.xz 000100397.td-b3lyp_6-31g+(d).inp 000100397.td-b3lyp_6-31g+(d).log.xz

000100397.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100397.td-b3lyp_6-31+g(d).gjf (generated)

000100397.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100397.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100397.mol 000100397.PUBCHEM 000100397.mol (via Jmol)
000100400.b3lyp_6-31g(d).inp

000100400.b3lyp_6-31g(d).qchem.inp (generated)

000100400.b3lyp_6-31g(d).gjf (generated)

000100400.b3lyp_6-31g(d).firefly.inp (generated)

000100400.b3lyp_6-31g(d).smash.inp (generated)

000100400.b3lyp_6-31g(d).nwchem.inp (generated) 000100400.b3lyp_6-31g(d).log.xz 000100400.td-b3lyp_6-31g+(d).inp 000100400.td-b3lyp_6-31g+(d).log.xz

000100400.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100400.td-b3lyp_6-31+g(d).gjf (generated)

000100400.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100400.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100400.mol 000100400.PUBCHEM 000100400.mol (via Jmol)
000100411.b3lyp_6-31g(d).inp

000100411.b3lyp_6-31g(d).qchem.inp (generated)

000100411.b3lyp_6-31g(d).gjf (generated)

000100411.b3lyp_6-31g(d).firefly.inp (generated)

000100411.b3lyp_6-31g(d).smash.inp (generated)

000100411.b3lyp_6-31g(d).nwchem.inp (generated) 000100411.b3lyp_6-31g(d).log.xz 000100411.td-b3lyp_6-31g+(d).inp 000100411.td-b3lyp_6-31g+(d).log.xz

000100411.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100411.td-b3lyp_6-31+g(d).gjf (generated)

000100411.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100411.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100411.mol 000100411.PUBCHEM 000100411.mol (via Jmol)
000100413.b3lyp_6-31g(d).inp

000100413.b3lyp_6-31g(d).qchem.inp (generated)

000100413.b3lyp_6-31g(d).gjf (generated)

000100413.b3lyp_6-31g(d).firefly.inp (generated)

000100413.b3lyp_6-31g(d).smash.inp (generated)

000100413.b3lyp_6-31g(d).nwchem.inp (generated) 000100413.b3lyp_6-31g(d).log.xz 000100413.td-b3lyp_6-31g+(d).inp 000100413.td-b3lyp_6-31g+(d).log.xz

000100413.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100413.td-b3lyp_6-31+g(d).gjf (generated)

000100413.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100413.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100413.mol 000100413.PUBCHEM 000100413.mol (via Jmol)
000100414.b3lyp_6-31g(d).inp

000100414.b3lyp_6-31g(d).qchem.inp (generated)

000100414.b3lyp_6-31g(d).gjf (generated)

000100414.b3lyp_6-31g(d).firefly.inp (generated)

000100414.b3lyp_6-31g(d).smash.inp (generated)

000100414.b3lyp_6-31g(d).nwchem.inp (generated) 000100414.b3lyp_6-31g(d).log.xz 000100414.td-b3lyp_6-31g+(d).inp 000100414.td-b3lyp_6-31g+(d).log.xz

000100414.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100414.td-b3lyp_6-31+g(d).gjf (generated)

000100414.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100414.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100414.mol 000100414.PUBCHEM 000100414.mol (via Jmol)
000100421.b3lyp_6-31g(d).inp

000100421.b3lyp_6-31g(d).qchem.inp (generated)

000100421.b3lyp_6-31g(d).gjf (generated)

000100421.b3lyp_6-31g(d).firefly.inp (generated)

000100421.b3lyp_6-31g(d).smash.inp (generated)

000100421.b3lyp_6-31g(d).nwchem.inp (generated) 000100421.b3lyp_6-31g(d).log.xz 000100421.td-b3lyp_6-31g+(d).inp 000100421.td-b3lyp_6-31g+(d).log.xz

000100421.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100421.td-b3lyp_6-31+g(d).gjf (generated)

000100421.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100421.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100421.mol 000100421.PUBCHEM 000100421.mol (via Jmol)
000100427.b3lyp_6-31g(d).inp

000100427.b3lyp_6-31g(d).qchem.inp (generated)

000100427.b3lyp_6-31g(d).gjf (generated)

000100427.b3lyp_6-31g(d).firefly.inp (generated)

000100427.b3lyp_6-31g(d).smash.inp (generated)

000100427.b3lyp_6-31g(d).nwchem.inp (generated) 000100427.b3lyp_6-31g(d).log.xz 000100427.td-b3lyp_6-31g+(d).inp 000100427.td-b3lyp_6-31g+(d).log.xz

000100427.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100427.td-b3lyp_6-31+g(d).gjf (generated)

000100427.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100427.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100427.mol 000100427.PUBCHEM 000100427.mol (via Jmol)
000100429.b3lyp_6-31g(d).inp

000100429.b3lyp_6-31g(d).qchem.inp (generated)

000100429.b3lyp_6-31g(d).gjf (generated)

000100429.b3lyp_6-31g(d).firefly.inp (generated)

000100429.b3lyp_6-31g(d).smash.inp (generated)

000100429.b3lyp_6-31g(d).nwchem.inp (generated) 000100429.b3lyp_6-31g(d).log.xz 000100429.td-b3lyp_6-31g+(d).inp 000100429.td-b3lyp_6-31g+(d).log.xz

000100429.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100429.td-b3lyp_6-31+g(d).gjf (generated)

000100429.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100429.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100429.mol 000100429.PUBCHEM 000100429.mol (via Jmol)
000100430.b3lyp_6-31g(d).inp

000100430.b3lyp_6-31g(d).qchem.inp (generated)

000100430.b3lyp_6-31g(d).gjf (generated)

000100430.b3lyp_6-31g(d).firefly.inp (generated)

000100430.b3lyp_6-31g(d).smash.inp (generated)

000100430.b3lyp_6-31g(d).nwchem.inp (generated) 000100430.b3lyp_6-31g(d).log.xz 000100430.td-b3lyp_6-31g+(d).inp 000100430.td-b3lyp_6-31g+(d).log.xz

000100430.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100430.td-b3lyp_6-31+g(d).gjf (generated)

000100430.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100430.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100430.mol 000100430.PUBCHEM 000100430.mol (via Jmol)
000100431.b3lyp_6-31g(d).inp

000100431.b3lyp_6-31g(d).qchem.inp (generated)

000100431.b3lyp_6-31g(d).gjf (generated)

000100431.b3lyp_6-31g(d).firefly.inp (generated)

000100431.b3lyp_6-31g(d).smash.inp (generated)

000100431.b3lyp_6-31g(d).nwchem.inp (generated) 000100431.b3lyp_6-31g(d).log.xz 000100431.td-b3lyp_6-31g+(d).inp 000100431.td-b3lyp_6-31g+(d).log.xz

000100431.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100431.td-b3lyp_6-31+g(d).gjf (generated)

000100431.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100431.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100431.mol 000100431.PUBCHEM 000100431.mol (via Jmol)
000100435.b3lyp_6-31g(d).inp

000100435.b3lyp_6-31g(d).qchem.inp (generated)

000100435.b3lyp_6-31g(d).gjf (generated)

000100435.b3lyp_6-31g(d).firefly.inp (generated)

000100435.b3lyp_6-31g(d).smash.inp (generated)

000100435.b3lyp_6-31g(d).nwchem.inp (generated) 000100435.b3lyp_6-31g(d).log.xz 000100435.td-b3lyp_6-31g+(d).inp 000100435.td-b3lyp_6-31g+(d).log.xz

000100435.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100435.td-b3lyp_6-31+g(d).gjf (generated)

000100435.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100435.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100435.mol 000100435.PUBCHEM 000100435.mol (via Jmol)
000100436.b3lyp_6-31g(d).inp

000100436.b3lyp_6-31g(d).qchem.inp (generated)

000100436.b3lyp_6-31g(d).gjf (generated)

000100436.b3lyp_6-31g(d).firefly.inp (generated)

000100436.b3lyp_6-31g(d).smash.inp (generated)

000100436.b3lyp_6-31g(d).nwchem.inp (generated) 000100436.b3lyp_6-31g(d).log.xz 000100436.td-b3lyp_6-31g+(d).inp 000100436.td-b3lyp_6-31g+(d).log.xz

000100436.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100436.td-b3lyp_6-31+g(d).gjf (generated)

000100436.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100436.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100436.mol 000100436.PUBCHEM 000100436.mol (via Jmol)
000100439.b3lyp_6-31g(d).inp

000100439.b3lyp_6-31g(d).qchem.inp (generated)

000100439.b3lyp_6-31g(d).gjf (generated)

000100439.b3lyp_6-31g(d).firefly.inp (generated)

000100439.b3lyp_6-31g(d).smash.inp (generated)

000100439.b3lyp_6-31g(d).nwchem.inp (generated) 000100439.b3lyp_6-31g(d).log.xz 000100439.td-b3lyp_6-31g+(d).inp 000100439.td-b3lyp_6-31g+(d).log.xz

000100439.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100439.td-b3lyp_6-31+g(d).gjf (generated)

000100439.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100439.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100439.mol 000100439.PUBCHEM 000100439.mol (via Jmol)
000100440.b3lyp_6-31g(d).inp

000100440.b3lyp_6-31g(d).qchem.inp (generated)

000100440.b3lyp_6-31g(d).gjf (generated)

000100440.b3lyp_6-31g(d).firefly.inp (generated)

000100440.b3lyp_6-31g(d).smash.inp (generated)

000100440.b3lyp_6-31g(d).nwchem.inp (generated) 000100440.b3lyp_6-31g(d).log.xz 000100440.td-b3lyp_6-31g+(d).inp 000100440.td-b3lyp_6-31g+(d).log.xz

000100440.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100440.td-b3lyp_6-31+g(d).gjf (generated)

000100440.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100440.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100440.mol 000100440.PUBCHEM 000100440.mol (via Jmol)
000100441.b3lyp_6-31g(d).inp

000100441.b3lyp_6-31g(d).qchem.inp (generated)

000100441.b3lyp_6-31g(d).gjf (generated)

000100441.b3lyp_6-31g(d).firefly.inp (generated)

000100441.b3lyp_6-31g(d).smash.inp (generated)

000100441.b3lyp_6-31g(d).nwchem.inp (generated) 000100441.b3lyp_6-31g(d).log.xz 000100441.td-b3lyp_6-31g+(d).inp 000100441.td-b3lyp_6-31g+(d).log.xz

000100441.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100441.td-b3lyp_6-31+g(d).gjf (generated)

000100441.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100441.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100441.mol 000100441.PUBCHEM 000100441.mol (via Jmol)
000100446.b3lyp_6-31g(d).inp

000100446.b3lyp_6-31g(d).qchem.inp (generated)

000100446.b3lyp_6-31g(d).gjf (generated)

000100446.b3lyp_6-31g(d).firefly.inp (generated)

000100446.b3lyp_6-31g(d).smash.inp (generated)

000100446.b3lyp_6-31g(d).nwchem.inp (generated) 000100446.b3lyp_6-31g(d).log.xz 000100446.td-b3lyp_6-31g+(d).inp 000100446.td-b3lyp_6-31g+(d).log.xz

000100446.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100446.td-b3lyp_6-31+g(d).gjf (generated)

000100446.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100446.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100446.mol 000100446.PUBCHEM 000100446.mol (via Jmol)
000100448.b3lyp_6-31g(d).inp

000100448.b3lyp_6-31g(d).qchem.inp (generated)

000100448.b3lyp_6-31g(d).gjf (generated)

000100448.b3lyp_6-31g(d).firefly.inp (generated)

000100448.b3lyp_6-31g(d).smash.inp (generated)

000100448.b3lyp_6-31g(d).nwchem.inp (generated) 000100448.b3lyp_6-31g(d).log.xz 000100448.td-b3lyp_6-31g+(d).inp 000100448.td-b3lyp_6-31g+(d).log.xz

000100448.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100448.td-b3lyp_6-31+g(d).gjf (generated)

000100448.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100448.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100448.mol 000100448.PUBCHEM 000100448.mol (via Jmol)
000100449.b3lyp_6-31g(d).inp

000100449.b3lyp_6-31g(d).qchem.inp (generated)

000100449.b3lyp_6-31g(d).gjf (generated)

000100449.b3lyp_6-31g(d).firefly.inp (generated)

000100449.b3lyp_6-31g(d).smash.inp (generated)

000100449.b3lyp_6-31g(d).nwchem.inp (generated) 000100449.b3lyp_6-31g(d).log.xz 000100449.td-b3lyp_6-31g+(d).inp 000100449.td-b3lyp_6-31g+(d).log.xz

000100449.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100449.td-b3lyp_6-31+g(d).gjf (generated)

000100449.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100449.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100449.mol 000100449.PUBCHEM 000100449.mol (via Jmol)
000100456.b3lyp_6-31g(d).inp

000100456.b3lyp_6-31g(d).qchem.inp (generated)

000100456.b3lyp_6-31g(d).gjf (generated)

000100456.b3lyp_6-31g(d).firefly.inp (generated)

000100456.b3lyp_6-31g(d).smash.inp (generated)

000100456.b3lyp_6-31g(d).nwchem.inp (generated) 000100456.b3lyp_6-31g(d).log.xz 000100456.td-b3lyp_6-31g+(d).inp 000100456.td-b3lyp_6-31g+(d).log.xz

000100456.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100456.td-b3lyp_6-31+g(d).gjf (generated)

000100456.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100456.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100456.mol 000100456.PUBCHEM 000100456.mol (via Jmol)
000100460.b3lyp_6-31g(d).inp

000100460.b3lyp_6-31g(d).qchem.inp (generated)

000100460.b3lyp_6-31g(d).gjf (generated)

000100460.b3lyp_6-31g(d).firefly.inp (generated)

000100460.b3lyp_6-31g(d).smash.inp (generated)

000100460.b3lyp_6-31g(d).nwchem.inp (generated) 000100460.b3lyp_6-31g(d).log.xz 000100460.td-b3lyp_6-31g+(d).inp 000100460.td-b3lyp_6-31g+(d).log.xz

000100460.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100460.td-b3lyp_6-31+g(d).gjf (generated)

000100460.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100460.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100460.mol 000100460.PUBCHEM 000100460.mol (via Jmol)
000100464.b3lyp_6-31g(d).inp

000100464.b3lyp_6-31g(d).qchem.inp (generated)

000100464.b3lyp_6-31g(d).gjf (generated)

000100464.b3lyp_6-31g(d).firefly.inp (generated)

000100464.b3lyp_6-31g(d).smash.inp (generated)

000100464.b3lyp_6-31g(d).nwchem.inp (generated) 000100464.b3lyp_6-31g(d).log.xz 000100464.td-b3lyp_6-31g+(d).inp 000100464.td-b3lyp_6-31g+(d).log.xz

000100464.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100464.td-b3lyp_6-31+g(d).gjf (generated)

000100464.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100464.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100464.mol 000100464.PUBCHEM 000100464.mol (via Jmol)
000100470.b3lyp_6-31g(d).inp

000100470.b3lyp_6-31g(d).qchem.inp (generated)

000100470.b3lyp_6-31g(d).gjf (generated)

000100470.b3lyp_6-31g(d).firefly.inp (generated)

000100470.b3lyp_6-31g(d).smash.inp (generated)

000100470.b3lyp_6-31g(d).nwchem.inp (generated) 000100470.b3lyp_6-31g(d).log.xz 000100470.td-b3lyp_6-31g+(d).inp 000100470.td-b3lyp_6-31g+(d).log.xz

000100470.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100470.td-b3lyp_6-31+g(d).gjf (generated)

000100470.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100470.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100470.mol 000100470.PUBCHEM 000100470.mol (via Jmol)
000100476.b3lyp_6-31g(d).inp

000100476.b3lyp_6-31g(d).qchem.inp (generated)

000100476.b3lyp_6-31g(d).gjf (generated)

000100476.b3lyp_6-31g(d).firefly.inp (generated)

000100476.b3lyp_6-31g(d).smash.inp (generated)

000100476.b3lyp_6-31g(d).nwchem.inp (generated) 000100476.b3lyp_6-31g(d).log.xz 000100476.td-b3lyp_6-31g+(d).inp 000100476.td-b3lyp_6-31g+(d).log.xz

000100476.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100476.td-b3lyp_6-31+g(d).gjf (generated)

000100476.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100476.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100476.mol 000100476.PUBCHEM 000100476.mol (via Jmol)
000100478.b3lyp_6-31g(d).inp

000100478.b3lyp_6-31g(d).qchem.inp (generated)

000100478.b3lyp_6-31g(d).gjf (generated)

000100478.b3lyp_6-31g(d).firefly.inp (generated)

000100478.b3lyp_6-31g(d).smash.inp (generated)

000100478.b3lyp_6-31g(d).nwchem.inp (generated) 000100478.b3lyp_6-31g(d).log.xz 000100478.td-b3lyp_6-31g+(d).inp 000100478.td-b3lyp_6-31g+(d).log.xz

000100478.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100478.td-b3lyp_6-31+g(d).gjf (generated)

000100478.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100478.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100478.mol 000100478.PUBCHEM 000100478.mol (via Jmol)
000100479.b3lyp_6-31g(d).inp

000100479.b3lyp_6-31g(d).qchem.inp (generated)

000100479.b3lyp_6-31g(d).gjf (generated)

000100479.b3lyp_6-31g(d).firefly.inp (generated)

000100479.b3lyp_6-31g(d).smash.inp (generated)

000100479.b3lyp_6-31g(d).nwchem.inp (generated) 000100479.b3lyp_6-31g(d).log.xz 000100479.td-b3lyp_6-31g+(d).inp 000100479.td-b3lyp_6-31g+(d).log.xz

000100479.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100479.td-b3lyp_6-31+g(d).gjf (generated)

000100479.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100479.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100479.mol 000100479.PUBCHEM 000100479.mol (via Jmol)
000100483.b3lyp_6-31g(d).inp

000100483.b3lyp_6-31g(d).qchem.inp (generated)

000100483.b3lyp_6-31g(d).gjf (generated)

000100483.b3lyp_6-31g(d).firefly.inp (generated)

000100483.b3lyp_6-31g(d).smash.inp (generated)

000100483.b3lyp_6-31g(d).nwchem.inp (generated) 000100483.b3lyp_6-31g(d).log.xz 000100483.td-b3lyp_6-31g+(d).inp 000100483.td-b3lyp_6-31g+(d).log.xz

000100483.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100483.td-b3lyp_6-31+g(d).gjf (generated)

000100483.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100483.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100483.mol 000100483.PUBCHEM 000100483.mol (via Jmol)
000100484.b3lyp_6-31g(d).inp

000100484.b3lyp_6-31g(d).qchem.inp (generated)

000100484.b3lyp_6-31g(d).gjf (generated)

000100484.b3lyp_6-31g(d).firefly.inp (generated)

000100484.b3lyp_6-31g(d).smash.inp (generated)

000100484.b3lyp_6-31g(d).nwchem.inp (generated) 000100484.b3lyp_6-31g(d).log.xz 000100484.td-b3lyp_6-31g+(d).inp 000100484.td-b3lyp_6-31g+(d).log.xz

000100484.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100484.td-b3lyp_6-31+g(d).gjf (generated)

000100484.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100484.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100484.mol 000100484.PUBCHEM 000100484.mol (via Jmol)
000100485.b3lyp_6-31g(d).inp

000100485.b3lyp_6-31g(d).qchem.inp (generated)

000100485.b3lyp_6-31g(d).gjf (generated)

000100485.b3lyp_6-31g(d).firefly.inp (generated)

000100485.b3lyp_6-31g(d).smash.inp (generated)

000100485.b3lyp_6-31g(d).nwchem.inp (generated) 000100485.b3lyp_6-31g(d).log.xz 000100485.td-b3lyp_6-31g+(d).inp 000100485.td-b3lyp_6-31g+(d).log.xz

000100485.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100485.td-b3lyp_6-31+g(d).gjf (generated)

000100485.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100485.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100485.mol 000100485.PUBCHEM 000100485.mol (via Jmol)
000100486.b3lyp_6-31g(d).inp

000100486.b3lyp_6-31g(d).qchem.inp (generated)

000100486.b3lyp_6-31g(d).gjf (generated)

000100486.b3lyp_6-31g(d).firefly.inp (generated)

000100486.b3lyp_6-31g(d).smash.inp (generated)

000100486.b3lyp_6-31g(d).nwchem.inp (generated) 000100486.b3lyp_6-31g(d).log.xz 000100486.td-b3lyp_6-31g+(d).inp 000100486.td-b3lyp_6-31g+(d).log.xz

000100486.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100486.td-b3lyp_6-31+g(d).gjf (generated)

000100486.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100486.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100486.mol 000100486.PUBCHEM 000100486.mol (via Jmol)
000100487.b3lyp_6-31g(d).inp

000100487.b3lyp_6-31g(d).qchem.inp (generated)

000100487.b3lyp_6-31g(d).gjf (generated)

000100487.b3lyp_6-31g(d).firefly.inp (generated)

000100487.b3lyp_6-31g(d).smash.inp (generated)

000100487.b3lyp_6-31g(d).nwchem.inp (generated) 000100487.b3lyp_6-31g(d).log.xz 000100487.td-b3lyp_6-31g+(d).inp 000100487.td-b3lyp_6-31g+(d).log.xz

000100487.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100487.td-b3lyp_6-31+g(d).gjf (generated)

000100487.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100487.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100487.mol 000100487.PUBCHEM 000100487.mol (via Jmol)
000100489.b3lyp_6-31g(d).inp

000100489.b3lyp_6-31g(d).qchem.inp (generated)

000100489.b3lyp_6-31g(d).gjf (generated)

000100489.b3lyp_6-31g(d).firefly.inp (generated)

000100489.b3lyp_6-31g(d).smash.inp (generated)

000100489.b3lyp_6-31g(d).nwchem.inp (generated) 000100489.b3lyp_6-31g(d).log.xz 000100489.td-b3lyp_6-31g+(d).inp 000100489.td-b3lyp_6-31g+(d).log.xz

000100489.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100489.td-b3lyp_6-31+g(d).gjf (generated)

000100489.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100489.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100489.mol 000100489.PUBCHEM 000100489.mol (via Jmol)
000100495.b3lyp_6-31g(d).inp

000100495.b3lyp_6-31g(d).qchem.inp (generated)

000100495.b3lyp_6-31g(d).gjf (generated)

000100495.b3lyp_6-31g(d).firefly.inp (generated)

000100495.b3lyp_6-31g(d).smash.inp (generated)

000100495.b3lyp_6-31g(d).nwchem.inp (generated) 000100495.b3lyp_6-31g(d).log.xz 000100495.td-b3lyp_6-31g+(d).inp 000100495.td-b3lyp_6-31g+(d).log.xz

000100495.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100495.td-b3lyp_6-31+g(d).gjf (generated)

000100495.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100495.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100495.mol 000100495.PUBCHEM 000100495.mol (via Jmol)
000100503.b3lyp_6-31g(d).inp

000100503.b3lyp_6-31g(d).qchem.inp (generated)

000100503.b3lyp_6-31g(d).gjf (generated)

000100503.b3lyp_6-31g(d).firefly.inp (generated)

000100503.b3lyp_6-31g(d).smash.inp (generated)

000100503.b3lyp_6-31g(d).nwchem.inp (generated) 000100503.b3lyp_6-31g(d).log.xz 000100503.td-b3lyp_6-31g+(d).inp 000100503.td-b3lyp_6-31g+(d).log.xz

000100503.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100503.td-b3lyp_6-31+g(d).gjf (generated)

000100503.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100503.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100503.mol 000100503.PUBCHEM 000100503.mol (via Jmol)
000100504.b3lyp_6-31g(d).inp

000100504.b3lyp_6-31g(d).qchem.inp (generated)

000100504.b3lyp_6-31g(d).gjf (generated)

000100504.b3lyp_6-31g(d).firefly.inp (generated)

000100504.b3lyp_6-31g(d).smash.inp (generated)

000100504.b3lyp_6-31g(d).nwchem.inp (generated) 000100504.b3lyp_6-31g(d).log.xz 000100504.td-b3lyp_6-31g+(d).inp 000100504.td-b3lyp_6-31g+(d).log.xz

000100504.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100504.td-b3lyp_6-31+g(d).gjf (generated)

000100504.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100504.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100504.mol 000100504.PUBCHEM 000100504.mol (via Jmol)
000100506.b3lyp_6-31g(d).inp

000100506.b3lyp_6-31g(d).qchem.inp (generated)

000100506.b3lyp_6-31g(d).gjf (generated)

000100506.b3lyp_6-31g(d).firefly.inp (generated)

000100506.b3lyp_6-31g(d).smash.inp (generated)

000100506.b3lyp_6-31g(d).nwchem.inp (generated) 000100506.b3lyp_6-31g(d).log.xz 000100506.td-b3lyp_6-31g+(d).inp 000100506.td-b3lyp_6-31g+(d).log.xz

000100506.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100506.td-b3lyp_6-31+g(d).gjf (generated)

000100506.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100506.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100506.mol 000100506.PUBCHEM 000100506.mol (via Jmol)
000100509.b3lyp_6-31g(d).inp

000100509.b3lyp_6-31g(d).qchem.inp (generated)

000100509.b3lyp_6-31g(d).gjf (generated)

000100509.b3lyp_6-31g(d).firefly.inp (generated)

000100509.b3lyp_6-31g(d).smash.inp (generated)

000100509.b3lyp_6-31g(d).nwchem.inp (generated) 000100509.b3lyp_6-31g(d).log.xz 000100509.td-b3lyp_6-31g+(d).inp 000100509.td-b3lyp_6-31g+(d).log.xz

000100509.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100509.td-b3lyp_6-31+g(d).gjf (generated)

000100509.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100509.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100509.mol 000100509.PUBCHEM 000100509.mol (via Jmol)
000100510.b3lyp_6-31g(d).inp

000100510.b3lyp_6-31g(d).qchem.inp (generated)

000100510.b3lyp_6-31g(d).gjf (generated)

000100510.b3lyp_6-31g(d).firefly.inp (generated)

000100510.b3lyp_6-31g(d).smash.inp (generated)

000100510.b3lyp_6-31g(d).nwchem.inp (generated) 000100510.b3lyp_6-31g(d).log.xz 000100510.td-b3lyp_6-31g+(d).inp 000100510.td-b3lyp_6-31g+(d).log.xz

000100510.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100510.td-b3lyp_6-31+g(d).gjf (generated)

000100510.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100510.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100510.mol 000100510.PUBCHEM 000100510.mol (via Jmol)
000100511.b3lyp_6-31g(d).inp

000100511.b3lyp_6-31g(d).qchem.inp (generated)

000100511.b3lyp_6-31g(d).gjf (generated)

000100511.b3lyp_6-31g(d).firefly.inp (generated)

000100511.b3lyp_6-31g(d).smash.inp (generated)

000100511.b3lyp_6-31g(d).nwchem.inp (generated) 000100511.b3lyp_6-31g(d).log.xz 000100511.td-b3lyp_6-31g+(d).inp 000100511.td-b3lyp_6-31g+(d).log.xz

000100511.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100511.td-b3lyp_6-31+g(d).gjf (generated)

000100511.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100511.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100511.mol 000100511.PUBCHEM 000100511.mol (via Jmol)
000100512.b3lyp_6-31g(d).inp

000100512.b3lyp_6-31g(d).qchem.inp (generated)

000100512.b3lyp_6-31g(d).gjf (generated)

000100512.b3lyp_6-31g(d).firefly.inp (generated)

000100512.b3lyp_6-31g(d).smash.inp (generated)

000100512.b3lyp_6-31g(d).nwchem.inp (generated) 000100512.b3lyp_6-31g(d).log.xz 000100512.td-b3lyp_6-31g+(d).inp 000100512.td-b3lyp_6-31g+(d).log.xz

000100512.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100512.td-b3lyp_6-31+g(d).gjf (generated)

000100512.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100512.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100512.mol 000100512.PUBCHEM 000100512.mol (via Jmol)
000100514.b3lyp_6-31g(d).inp

000100514.b3lyp_6-31g(d).qchem.inp (generated)

000100514.b3lyp_6-31g(d).gjf (generated)

000100514.b3lyp_6-31g(d).firefly.inp (generated)

000100514.b3lyp_6-31g(d).smash.inp (generated)

000100514.b3lyp_6-31g(d).nwchem.inp (generated) 000100514.b3lyp_6-31g(d).log.xz 000100514.td-b3lyp_6-31g+(d).inp 000100514.td-b3lyp_6-31g+(d).log.xz

000100514.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100514.td-b3lyp_6-31+g(d).gjf (generated)

000100514.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100514.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100514.mol 000100514.PUBCHEM 000100514.mol (via Jmol)
000100517.b3lyp_6-31g(d).inp

000100517.b3lyp_6-31g(d).qchem.inp (generated)

000100517.b3lyp_6-31g(d).gjf (generated)

000100517.b3lyp_6-31g(d).firefly.inp (generated)

000100517.b3lyp_6-31g(d).smash.inp (generated)

000100517.b3lyp_6-31g(d).nwchem.inp (generated) 000100517.b3lyp_6-31g(d).log.xz 000100517.td-b3lyp_6-31g+(d).inp 000100517.td-b3lyp_6-31g+(d).log.xz

000100517.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100517.td-b3lyp_6-31+g(d).gjf (generated)

000100517.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100517.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100517.mol 000100517.PUBCHEM 000100517.mol (via Jmol)
000100520.b3lyp_6-31g(d).inp

000100520.b3lyp_6-31g(d).qchem.inp (generated)

000100520.b3lyp_6-31g(d).gjf (generated)

000100520.b3lyp_6-31g(d).firefly.inp (generated)

000100520.b3lyp_6-31g(d).smash.inp (generated)

000100520.b3lyp_6-31g(d).nwchem.inp (generated) 000100520.b3lyp_6-31g(d).log.xz 000100520.td-b3lyp_6-31g+(d).inp 000100520.td-b3lyp_6-31g+(d).log.xz

000100520.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100520.td-b3lyp_6-31+g(d).gjf (generated)

000100520.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100520.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100520.mol 000100520.PUBCHEM 000100520.mol (via Jmol)
000100522.b3lyp_6-31g(d).inp

000100522.b3lyp_6-31g(d).qchem.inp (generated)

000100522.b3lyp_6-31g(d).gjf (generated)

000100522.b3lyp_6-31g(d).firefly.inp (generated)

000100522.b3lyp_6-31g(d).smash.inp (generated)

000100522.b3lyp_6-31g(d).nwchem.inp (generated) 000100522.b3lyp_6-31g(d).log.xz 000100522.td-b3lyp_6-31g+(d).inp 000100522.td-b3lyp_6-31g+(d).log.xz

000100522.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100522.td-b3lyp_6-31+g(d).gjf (generated)

000100522.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100522.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100522.mol 000100522.PUBCHEM 000100522.mol (via Jmol)
000100526.b3lyp_6-31g(d).inp

000100526.b3lyp_6-31g(d).qchem.inp (generated)

000100526.b3lyp_6-31g(d).gjf (generated)

000100526.b3lyp_6-31g(d).firefly.inp (generated)

000100526.b3lyp_6-31g(d).smash.inp (generated)

000100526.b3lyp_6-31g(d).nwchem.inp (generated) 000100526.b3lyp_6-31g(d).log.xz 000100526.td-b3lyp_6-31g+(d).inp 000100526.td-b3lyp_6-31g+(d).log.xz

000100526.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100526.td-b3lyp_6-31+g(d).gjf (generated)

000100526.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100526.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100526.mol 000100526.PUBCHEM 000100526.mol (via Jmol)
000100527.b3lyp_6-31g(d).inp

000100527.b3lyp_6-31g(d).qchem.inp (generated)

000100527.b3lyp_6-31g(d).gjf (generated)

000100527.b3lyp_6-31g(d).firefly.inp (generated)

000100527.b3lyp_6-31g(d).smash.inp (generated)

000100527.b3lyp_6-31g(d).nwchem.inp (generated) 000100527.b3lyp_6-31g(d).log.xz 000100527.td-b3lyp_6-31g+(d).inp 000100527.td-b3lyp_6-31g+(d).log.xz

000100527.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100527.td-b3lyp_6-31+g(d).gjf (generated)

000100527.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100527.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100527.mol 000100527.PUBCHEM 000100527.mol (via Jmol)
000100529.b3lyp_6-31g(d).inp

000100529.b3lyp_6-31g(d).qchem.inp (generated)

000100529.b3lyp_6-31g(d).gjf (generated)

000100529.b3lyp_6-31g(d).firefly.inp (generated)

000100529.b3lyp_6-31g(d).smash.inp (generated)

000100529.b3lyp_6-31g(d).nwchem.inp (generated) 000100529.b3lyp_6-31g(d).log.xz 000100529.td-b3lyp_6-31g+(d).inp 000100529.td-b3lyp_6-31g+(d).log.xz

000100529.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100529.td-b3lyp_6-31+g(d).gjf (generated)

000100529.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100529.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100529.mol 000100529.PUBCHEM 000100529.mol (via Jmol)
000100530.b3lyp_6-31g(d).inp

000100530.b3lyp_6-31g(d).qchem.inp (generated)

000100530.b3lyp_6-31g(d).gjf (generated)

000100530.b3lyp_6-31g(d).firefly.inp (generated)

000100530.b3lyp_6-31g(d).smash.inp (generated)

000100530.b3lyp_6-31g(d).nwchem.inp (generated) 000100530.b3lyp_6-31g(d).log.xz 000100530.td-b3lyp_6-31g+(d).inp 000100530.td-b3lyp_6-31g+(d).log.xz

000100530.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100530.td-b3lyp_6-31+g(d).gjf (generated)

000100530.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100530.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100530.mol 000100530.PUBCHEM 000100530.mol (via Jmol)
000100532.b3lyp_6-31g(d).inp

000100532.b3lyp_6-31g(d).qchem.inp (generated)

000100532.b3lyp_6-31g(d).gjf (generated)

000100532.b3lyp_6-31g(d).firefly.inp (generated)

000100532.b3lyp_6-31g(d).smash.inp (generated)

000100532.b3lyp_6-31g(d).nwchem.inp (generated) 000100532.b3lyp_6-31g(d).log.xz 000100532.td-b3lyp_6-31g+(d).inp 000100532.td-b3lyp_6-31g+(d).log.xz

000100532.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100532.td-b3lyp_6-31+g(d).gjf (generated)

000100532.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100532.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100532.mol 000100532.PUBCHEM 000100532.mol (via Jmol)
000100533.b3lyp_6-31g(d).inp

000100533.b3lyp_6-31g(d).qchem.inp (generated)

000100533.b3lyp_6-31g(d).gjf (generated)

000100533.b3lyp_6-31g(d).firefly.inp (generated)

000100533.b3lyp_6-31g(d).smash.inp (generated)

000100533.b3lyp_6-31g(d).nwchem.inp (generated) 000100533.b3lyp_6-31g(d).log.xz 000100533.td-b3lyp_6-31g+(d).inp 000100533.td-b3lyp_6-31g+(d).log.xz

000100533.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100533.td-b3lyp_6-31+g(d).gjf (generated)

000100533.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100533.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100533.mol 000100533.PUBCHEM 000100533.mol (via Jmol)
000100534.b3lyp_6-31g(d).inp

000100534.b3lyp_6-31g(d).qchem.inp (generated)

000100534.b3lyp_6-31g(d).gjf (generated)

000100534.b3lyp_6-31g(d).firefly.inp (generated)

000100534.b3lyp_6-31g(d).smash.inp (generated)

000100534.b3lyp_6-31g(d).nwchem.inp (generated) 000100534.b3lyp_6-31g(d).log.xz 000100534.td-b3lyp_6-31g+(d).inp 000100534.td-b3lyp_6-31g+(d).log.xz

000100534.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100534.td-b3lyp_6-31+g(d).gjf (generated)

000100534.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100534.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100534.mol 000100534.PUBCHEM 000100534.mol (via Jmol)
000100535.b3lyp_6-31g(d).inp

000100535.b3lyp_6-31g(d).qchem.inp (generated)

000100535.b3lyp_6-31g(d).gjf (generated)

000100535.b3lyp_6-31g(d).firefly.inp (generated)

000100535.b3lyp_6-31g(d).smash.inp (generated)

000100535.b3lyp_6-31g(d).nwchem.inp (generated) 000100535.b3lyp_6-31g(d).log.xz 000100535.td-b3lyp_6-31g+(d).inp 000100535.td-b3lyp_6-31g+(d).log.xz

000100535.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100535.td-b3lyp_6-31+g(d).gjf (generated)

000100535.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100535.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100535.mol 000100535.PUBCHEM 000100535.mol (via Jmol)
000100542.b3lyp_6-31g(d).inp

000100542.b3lyp_6-31g(d).qchem.inp (generated)

000100542.b3lyp_6-31g(d).gjf (generated)

000100542.b3lyp_6-31g(d).firefly.inp (generated)

000100542.b3lyp_6-31g(d).smash.inp (generated)

000100542.b3lyp_6-31g(d).nwchem.inp (generated) 000100542.b3lyp_6-31g(d).log.xz 000100542.td-b3lyp_6-31g+(d).inp 000100542.td-b3lyp_6-31g+(d).log.xz

000100542.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100542.td-b3lyp_6-31+g(d).gjf (generated)

000100542.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100542.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100542.mol 000100542.PUBCHEM 000100542.mol (via Jmol)
000100546.b3lyp_6-31g(d).inp

000100546.b3lyp_6-31g(d).qchem.inp (generated)

000100546.b3lyp_6-31g(d).gjf (generated)

000100546.b3lyp_6-31g(d).firefly.inp (generated)

000100546.b3lyp_6-31g(d).smash.inp (generated)

000100546.b3lyp_6-31g(d).nwchem.inp (generated) 000100546.b3lyp_6-31g(d).log.xz 000100546.td-b3lyp_6-31g+(d).inp 000100546.td-b3lyp_6-31g+(d).log.xz

000100546.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100546.td-b3lyp_6-31+g(d).gjf (generated)

000100546.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100546.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100546.mol 000100546.PUBCHEM 000100546.mol (via Jmol)
000100551.b3lyp_6-31g(d).inp

000100551.b3lyp_6-31g(d).qchem.inp (generated)

000100551.b3lyp_6-31g(d).gjf (generated)

000100551.b3lyp_6-31g(d).firefly.inp (generated)

000100551.b3lyp_6-31g(d).smash.inp (generated)

000100551.b3lyp_6-31g(d).nwchem.inp (generated) 000100551.b3lyp_6-31g(d).log.xz 000100551.td-b3lyp_6-31g+(d).inp 000100551.td-b3lyp_6-31g+(d).log.xz

000100551.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100551.td-b3lyp_6-31+g(d).gjf (generated)

000100551.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100551.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100551.mol 000100551.PUBCHEM 000100551.mol (via Jmol)
000100552.b3lyp_6-31g(d).inp

000100552.b3lyp_6-31g(d).qchem.inp (generated)

000100552.b3lyp_6-31g(d).gjf (generated)

000100552.b3lyp_6-31g(d).firefly.inp (generated)

000100552.b3lyp_6-31g(d).smash.inp (generated)

000100552.b3lyp_6-31g(d).nwchem.inp (generated) 000100552.b3lyp_6-31g(d).log.xz 000100552.td-b3lyp_6-31g+(d).inp 000100552.td-b3lyp_6-31g+(d).log.xz

000100552.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100552.td-b3lyp_6-31+g(d).gjf (generated)

000100552.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100552.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100552.mol 000100552.PUBCHEM 000100552.mol (via Jmol)
000100555.b3lyp_6-31g(d).inp

000100555.b3lyp_6-31g(d).qchem.inp (generated)

000100555.b3lyp_6-31g(d).gjf (generated)

000100555.b3lyp_6-31g(d).firefly.inp (generated)

000100555.b3lyp_6-31g(d).smash.inp (generated)

000100555.b3lyp_6-31g(d).nwchem.inp (generated) 000100555.b3lyp_6-31g(d).log.xz 000100555.td-b3lyp_6-31g+(d).inp 000100555.td-b3lyp_6-31g+(d).log.xz

000100555.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100555.td-b3lyp_6-31+g(d).gjf (generated)

000100555.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100555.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100555.mol 000100555.PUBCHEM 000100555.mol (via Jmol)
000100556.b3lyp_6-31g(d).inp

000100556.b3lyp_6-31g(d).qchem.inp (generated)

000100556.b3lyp_6-31g(d).gjf (generated)

000100556.b3lyp_6-31g(d).firefly.inp (generated)

000100556.b3lyp_6-31g(d).smash.inp (generated)

000100556.b3lyp_6-31g(d).nwchem.inp (generated) 000100556.b3lyp_6-31g(d).log.xz 000100556.td-b3lyp_6-31g+(d).inp 000100556.td-b3lyp_6-31g+(d).log.xz

000100556.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100556.td-b3lyp_6-31+g(d).gjf (generated)

000100556.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100556.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100556.mol 000100556.PUBCHEM 000100556.mol (via Jmol)
000100558.b3lyp_6-31g(d).inp

000100558.b3lyp_6-31g(d).qchem.inp (generated)

000100558.b3lyp_6-31g(d).gjf (generated)

000100558.b3lyp_6-31g(d).firefly.inp (generated)

000100558.b3lyp_6-31g(d).smash.inp (generated)

000100558.b3lyp_6-31g(d).nwchem.inp (generated) 000100558.b3lyp_6-31g(d).log.xz 000100558.td-b3lyp_6-31g+(d).inp 000100558.td-b3lyp_6-31g+(d).log.xz

000100558.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100558.td-b3lyp_6-31+g(d).gjf (generated)

000100558.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100558.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100558.mol 000100558.PUBCHEM 000100558.mol (via Jmol)
000100560.b3lyp_6-31g(d).inp

000100560.b3lyp_6-31g(d).qchem.inp (generated)

000100560.b3lyp_6-31g(d).gjf (generated)

000100560.b3lyp_6-31g(d).firefly.inp (generated)

000100560.b3lyp_6-31g(d).smash.inp (generated)

000100560.b3lyp_6-31g(d).nwchem.inp (generated) 000100560.b3lyp_6-31g(d).log.xz 000100560.td-b3lyp_6-31g+(d).inp 000100560.td-b3lyp_6-31g+(d).log.xz

000100560.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100560.td-b3lyp_6-31+g(d).gjf (generated)

000100560.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100560.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100560.mol 000100560.PUBCHEM 000100560.mol (via Jmol)
000100561.b3lyp_6-31g(d).inp

000100561.b3lyp_6-31g(d).qchem.inp (generated)

000100561.b3lyp_6-31g(d).gjf (generated)

000100561.b3lyp_6-31g(d).firefly.inp (generated)

000100561.b3lyp_6-31g(d).smash.inp (generated)

000100561.b3lyp_6-31g(d).nwchem.inp (generated) 000100561.b3lyp_6-31g(d).log.xz 000100561.td-b3lyp_6-31g+(d).inp 000100561.td-b3lyp_6-31g+(d).log.xz

000100561.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100561.td-b3lyp_6-31+g(d).gjf (generated)

000100561.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100561.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100561.mol 000100561.PUBCHEM 000100561.mol (via Jmol)
000100562.b3lyp_6-31g(d).inp

000100562.b3lyp_6-31g(d).qchem.inp (generated)

000100562.b3lyp_6-31g(d).gjf (generated)

000100562.b3lyp_6-31g(d).firefly.inp (generated)

000100562.b3lyp_6-31g(d).smash.inp (generated)

000100562.b3lyp_6-31g(d).nwchem.inp (generated) 000100562.b3lyp_6-31g(d).log.xz 000100562.td-b3lyp_6-31g+(d).inp 000100562.td-b3lyp_6-31g+(d).log.xz

000100562.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100562.td-b3lyp_6-31+g(d).gjf (generated)

000100562.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100562.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100562.mol 000100562.PUBCHEM 000100562.mol (via Jmol)
000100566.b3lyp_6-31g(d).inp

000100566.b3lyp_6-31g(d).qchem.inp (generated)

000100566.b3lyp_6-31g(d).gjf (generated)

000100566.b3lyp_6-31g(d).firefly.inp (generated)

000100566.b3lyp_6-31g(d).smash.inp (generated)

000100566.b3lyp_6-31g(d).nwchem.inp (generated) 000100566.b3lyp_6-31g(d).log.xz 000100566.td-b3lyp_6-31g+(d).inp 000100566.td-b3lyp_6-31g+(d).log.xz

000100566.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100566.td-b3lyp_6-31+g(d).gjf (generated)

000100566.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100566.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100566.mol 000100566.PUBCHEM 000100566.mol (via Jmol)
000100571.b3lyp_6-31g(d).inp

000100571.b3lyp_6-31g(d).qchem.inp (generated)

000100571.b3lyp_6-31g(d).gjf (generated)

000100571.b3lyp_6-31g(d).firefly.inp (generated)

000100571.b3lyp_6-31g(d).smash.inp (generated)

000100571.b3lyp_6-31g(d).nwchem.inp (generated) 000100571.b3lyp_6-31g(d).log.xz 000100571.td-b3lyp_6-31g+(d).inp 000100571.td-b3lyp_6-31g+(d).log.xz

000100571.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100571.td-b3lyp_6-31+g(d).gjf (generated)

000100571.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100571.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100571.mol 000100571.PUBCHEM 000100571.mol (via Jmol)
000100572.b3lyp_6-31g(d).inp

000100572.b3lyp_6-31g(d).qchem.inp (generated)

000100572.b3lyp_6-31g(d).gjf (generated)

000100572.b3lyp_6-31g(d).firefly.inp (generated)

000100572.b3lyp_6-31g(d).smash.inp (generated)

000100572.b3lyp_6-31g(d).nwchem.inp (generated) 000100572.b3lyp_6-31g(d).log.xz 000100572.td-b3lyp_6-31g+(d).inp 000100572.td-b3lyp_6-31g+(d).log.xz

000100572.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100572.td-b3lyp_6-31+g(d).gjf (generated)

000100572.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100572.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100572.mol 000100572.PUBCHEM 000100572.mol (via Jmol)
000100573.b3lyp_6-31g(d).inp

000100573.b3lyp_6-31g(d).qchem.inp (generated)

000100573.b3lyp_6-31g(d).gjf (generated)

000100573.b3lyp_6-31g(d).firefly.inp (generated)

000100573.b3lyp_6-31g(d).smash.inp (generated)

000100573.b3lyp_6-31g(d).nwchem.inp (generated) 000100573.b3lyp_6-31g(d).log.xz 000100573.td-b3lyp_6-31g+(d).inp 000100573.td-b3lyp_6-31g+(d).log.xz

000100573.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100573.td-b3lyp_6-31+g(d).gjf (generated)

000100573.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100573.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100573.mol 000100573.PUBCHEM 000100573.mol (via Jmol)
000100579.b3lyp_6-31g(d).inp

000100579.b3lyp_6-31g(d).qchem.inp (generated)

000100579.b3lyp_6-31g(d).gjf (generated)

000100579.b3lyp_6-31g(d).firefly.inp (generated)

000100579.b3lyp_6-31g(d).smash.inp (generated)

000100579.b3lyp_6-31g(d).nwchem.inp (generated) 000100579.b3lyp_6-31g(d).log.xz 000100579.td-b3lyp_6-31g+(d).inp 000100579.td-b3lyp_6-31g+(d).log.xz

000100579.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100579.td-b3lyp_6-31+g(d).gjf (generated)

000100579.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100579.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100579.mol 000100579.PUBCHEM 000100579.mol (via Jmol)
000100581.b3lyp_6-31g(d).inp

000100581.b3lyp_6-31g(d).qchem.inp (generated)

000100581.b3lyp_6-31g(d).gjf (generated)

000100581.b3lyp_6-31g(d).firefly.inp (generated)

000100581.b3lyp_6-31g(d).smash.inp (generated)

000100581.b3lyp_6-31g(d).nwchem.inp (generated) 000100581.b3lyp_6-31g(d).log.xz 000100581.td-b3lyp_6-31g+(d).inp 000100581.td-b3lyp_6-31g+(d).log.xz

000100581.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100581.td-b3lyp_6-31+g(d).gjf (generated)

000100581.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100581.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100581.mol 000100581.PUBCHEM 000100581.mol (via Jmol)
000100582.b3lyp_6-31g(d).inp

000100582.b3lyp_6-31g(d).qchem.inp (generated)

000100582.b3lyp_6-31g(d).gjf (generated)

000100582.b3lyp_6-31g(d).firefly.inp (generated)

000100582.b3lyp_6-31g(d).smash.inp (generated)

000100582.b3lyp_6-31g(d).nwchem.inp (generated) 000100582.b3lyp_6-31g(d).log.xz 000100582.td-b3lyp_6-31g+(d).inp 000100582.td-b3lyp_6-31g+(d).log.xz

000100582.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100582.td-b3lyp_6-31+g(d).gjf (generated)

000100582.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100582.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100582.mol 000100582.PUBCHEM 000100582.mol (via Jmol)
000100583.b3lyp_6-31g(d).inp

000100583.b3lyp_6-31g(d).qchem.inp (generated)

000100583.b3lyp_6-31g(d).gjf (generated)

000100583.b3lyp_6-31g(d).firefly.inp (generated)

000100583.b3lyp_6-31g(d).smash.inp (generated)

000100583.b3lyp_6-31g(d).nwchem.inp (generated) 000100583.b3lyp_6-31g(d).log.xz 000100583.td-b3lyp_6-31g+(d).inp 000100583.td-b3lyp_6-31g+(d).log.xz

000100583.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100583.td-b3lyp_6-31+g(d).gjf (generated)

000100583.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100583.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100583.mol 000100583.PUBCHEM 000100583.mol (via Jmol)
000100584.b3lyp_6-31g(d).inp

000100584.b3lyp_6-31g(d).qchem.inp (generated)

000100584.b3lyp_6-31g(d).gjf (generated)

000100584.b3lyp_6-31g(d).firefly.inp (generated)

000100584.b3lyp_6-31g(d).smash.inp (generated)

000100584.b3lyp_6-31g(d).nwchem.inp (generated) 000100584.b3lyp_6-31g(d).log.xz 000100584.td-b3lyp_6-31g+(d).inp 000100584.td-b3lyp_6-31g+(d).log.xz

000100584.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100584.td-b3lyp_6-31+g(d).gjf (generated)

000100584.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100584.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100584.mol 000100584.PUBCHEM 000100584.mol (via Jmol)
000100590.b3lyp_6-31g(d).inp

000100590.b3lyp_6-31g(d).qchem.inp (generated)

000100590.b3lyp_6-31g(d).gjf (generated)

000100590.b3lyp_6-31g(d).firefly.inp (generated)

000100590.b3lyp_6-31g(d).smash.inp (generated)

000100590.b3lyp_6-31g(d).nwchem.inp (generated) 000100590.b3lyp_6-31g(d).log.xz 000100590.td-b3lyp_6-31g+(d).inp 000100590.td-b3lyp_6-31g+(d).log.xz

000100590.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100590.td-b3lyp_6-31+g(d).gjf (generated)

000100590.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100590.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100590.mol 000100590.PUBCHEM 000100590.mol (via Jmol)
000100593.b3lyp_6-31g(d).inp

000100593.b3lyp_6-31g(d).qchem.inp (generated)

000100593.b3lyp_6-31g(d).gjf (generated)

000100593.b3lyp_6-31g(d).firefly.inp (generated)

000100593.b3lyp_6-31g(d).smash.inp (generated)

000100593.b3lyp_6-31g(d).nwchem.inp (generated) 000100593.b3lyp_6-31g(d).log.xz 000100593.td-b3lyp_6-31g+(d).inp 000100593.td-b3lyp_6-31g+(d).log.xz

000100593.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100593.td-b3lyp_6-31+g(d).gjf (generated)

000100593.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100593.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100593.mol 000100593.PUBCHEM 000100593.mol (via Jmol)
000100597.b3lyp_6-31g(d).inp

000100597.b3lyp_6-31g(d).qchem.inp (generated)

000100597.b3lyp_6-31g(d).gjf (generated)

000100597.b3lyp_6-31g(d).firefly.inp (generated)

000100597.b3lyp_6-31g(d).smash.inp (generated)

000100597.b3lyp_6-31g(d).nwchem.inp (generated) 000100597.b3lyp_6-31g(d).log.xz 000100597.td-b3lyp_6-31g+(d).inp 000100597.td-b3lyp_6-31g+(d).log.xz

000100597.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100597.td-b3lyp_6-31+g(d).gjf (generated)

000100597.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100597.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100597.mol 000100597.PUBCHEM 000100597.mol (via Jmol)
000100598.b3lyp_6-31g(d).inp

000100598.b3lyp_6-31g(d).qchem.inp (generated)

000100598.b3lyp_6-31g(d).gjf (generated)

000100598.b3lyp_6-31g(d).firefly.inp (generated)

000100598.b3lyp_6-31g(d).smash.inp (generated)

000100598.b3lyp_6-31g(d).nwchem.inp (generated) 000100598.b3lyp_6-31g(d).log.xz 000100598.td-b3lyp_6-31g+(d).inp 000100598.td-b3lyp_6-31g+(d).log.xz

000100598.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100598.td-b3lyp_6-31+g(d).gjf (generated)

000100598.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100598.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100598.mol 000100598.PUBCHEM 000100598.mol (via Jmol)
000100599.b3lyp_6-31g(d).inp

000100599.b3lyp_6-31g(d).qchem.inp (generated)

000100599.b3lyp_6-31g(d).gjf (generated)

000100599.b3lyp_6-31g(d).firefly.inp (generated)

000100599.b3lyp_6-31g(d).smash.inp (generated)

000100599.b3lyp_6-31g(d).nwchem.inp (generated) 000100599.b3lyp_6-31g(d).log.xz 000100599.td-b3lyp_6-31g+(d).inp 000100599.td-b3lyp_6-31g+(d).log.xz

000100599.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100599.td-b3lyp_6-31+g(d).gjf (generated)

000100599.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100599.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100599.mol 000100599.PUBCHEM 000100599.mol (via Jmol)
000100602.b3lyp_6-31g(d).inp

000100602.b3lyp_6-31g(d).qchem.inp (generated)

000100602.b3lyp_6-31g(d).gjf (generated)

000100602.b3lyp_6-31g(d).firefly.inp (generated)

000100602.b3lyp_6-31g(d).smash.inp (generated)

000100602.b3lyp_6-31g(d).nwchem.inp (generated) 000100602.b3lyp_6-31g(d).log.xz 000100602.td-b3lyp_6-31g+(d).inp 000100602.td-b3lyp_6-31g+(d).log.xz

000100602.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100602.td-b3lyp_6-31+g(d).gjf (generated)

000100602.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100602.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100602.mol 000100602.PUBCHEM 000100602.mol (via Jmol)
000100603.b3lyp_6-31g(d).inp

000100603.b3lyp_6-31g(d).qchem.inp (generated)

000100603.b3lyp_6-31g(d).gjf (generated)

000100603.b3lyp_6-31g(d).firefly.inp (generated)

000100603.b3lyp_6-31g(d).smash.inp (generated)

000100603.b3lyp_6-31g(d).nwchem.inp (generated) 000100603.b3lyp_6-31g(d).log.xz 000100603.td-b3lyp_6-31g+(d).inp 000100603.td-b3lyp_6-31g+(d).log.xz

000100603.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100603.td-b3lyp_6-31+g(d).gjf (generated)

000100603.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100603.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100603.mol 000100603.PUBCHEM 000100603.mol (via Jmol)
000100608.b3lyp_6-31g(d).inp

000100608.b3lyp_6-31g(d).qchem.inp (generated)

000100608.b3lyp_6-31g(d).gjf (generated)

000100608.b3lyp_6-31g(d).firefly.inp (generated)

000100608.b3lyp_6-31g(d).smash.inp (generated)

000100608.b3lyp_6-31g(d).nwchem.inp (generated) 000100608.b3lyp_6-31g(d).log.xz 000100608.td-b3lyp_6-31g+(d).inp 000100608.td-b3lyp_6-31g+(d).log.xz

000100608.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100608.td-b3lyp_6-31+g(d).gjf (generated)

000100608.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100608.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100608.mol 000100608.PUBCHEM 000100608.mol (via Jmol)
000100609.b3lyp_6-31g(d).inp

000100609.b3lyp_6-31g(d).qchem.inp (generated)

000100609.b3lyp_6-31g(d).gjf (generated)

000100609.b3lyp_6-31g(d).firefly.inp (generated)

000100609.b3lyp_6-31g(d).smash.inp (generated)

000100609.b3lyp_6-31g(d).nwchem.inp (generated) 000100609.b3lyp_6-31g(d).log.xz 000100609.td-b3lyp_6-31g+(d).inp 000100609.td-b3lyp_6-31g+(d).log.xz

000100609.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100609.td-b3lyp_6-31+g(d).gjf (generated)

000100609.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100609.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100609.mol 000100609.PUBCHEM 000100609.mol (via Jmol)
000100610.b3lyp_6-31g(d).inp

000100610.b3lyp_6-31g(d).qchem.inp (generated)

000100610.b3lyp_6-31g(d).gjf (generated)

000100610.b3lyp_6-31g(d).firefly.inp (generated)

000100610.b3lyp_6-31g(d).smash.inp (generated)

000100610.b3lyp_6-31g(d).nwchem.inp (generated) 000100610.b3lyp_6-31g(d).log.xz 000100610.td-b3lyp_6-31g+(d).inp 000100610.td-b3lyp_6-31g+(d).log.xz

000100610.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100610.td-b3lyp_6-31+g(d).gjf (generated)

000100610.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100610.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100610.mol 000100610.PUBCHEM 000100610.mol (via Jmol)
000100611.b3lyp_6-31g(d).inp

000100611.b3lyp_6-31g(d).qchem.inp (generated)

000100611.b3lyp_6-31g(d).gjf (generated)

000100611.b3lyp_6-31g(d).firefly.inp (generated)

000100611.b3lyp_6-31g(d).smash.inp (generated)

000100611.b3lyp_6-31g(d).nwchem.inp (generated) 000100611.b3lyp_6-31g(d).log.xz 000100611.td-b3lyp_6-31g+(d).inp 000100611.td-b3lyp_6-31g+(d).log.xz

000100611.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100611.td-b3lyp_6-31+g(d).gjf (generated)

000100611.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100611.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100611.mol 000100611.PUBCHEM 000100611.mol (via Jmol)
000100612.b3lyp_6-31g(d).inp

000100612.b3lyp_6-31g(d).qchem.inp (generated)

000100612.b3lyp_6-31g(d).gjf (generated)

000100612.b3lyp_6-31g(d).firefly.inp (generated)

000100612.b3lyp_6-31g(d).smash.inp (generated)

000100612.b3lyp_6-31g(d).nwchem.inp (generated) 000100612.b3lyp_6-31g(d).log.xz 000100612.td-b3lyp_6-31g+(d).inp 000100612.td-b3lyp_6-31g+(d).log.xz

000100612.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100612.td-b3lyp_6-31+g(d).gjf (generated)

000100612.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100612.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100612.mol 000100612.PUBCHEM 000100612.mol (via Jmol)
000100613.b3lyp_6-31g(d).inp

000100613.b3lyp_6-31g(d).qchem.inp (generated)

000100613.b3lyp_6-31g(d).gjf (generated)

000100613.b3lyp_6-31g(d).firefly.inp (generated)

000100613.b3lyp_6-31g(d).smash.inp (generated)

000100613.b3lyp_6-31g(d).nwchem.inp (generated) 000100613.b3lyp_6-31g(d).log.xz 000100613.td-b3lyp_6-31g+(d).inp 000100613.td-b3lyp_6-31g+(d).log.xz

000100613.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100613.td-b3lyp_6-31+g(d).gjf (generated)

000100613.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100613.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100613.mol 000100613.PUBCHEM 000100613.mol (via Jmol)
000100614.b3lyp_6-31g(d).inp

000100614.b3lyp_6-31g(d).qchem.inp (generated)

000100614.b3lyp_6-31g(d).gjf (generated)

000100614.b3lyp_6-31g(d).firefly.inp (generated)

000100614.b3lyp_6-31g(d).smash.inp (generated)

000100614.b3lyp_6-31g(d).nwchem.inp (generated) 000100614.b3lyp_6-31g(d).log.xz 000100614.td-b3lyp_6-31g+(d).inp 000100614.td-b3lyp_6-31g+(d).log.xz

000100614.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100614.td-b3lyp_6-31+g(d).gjf (generated)

000100614.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100614.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100614.mol 000100614.PUBCHEM 000100614.mol (via Jmol)
000100616.b3lyp_6-31g(d).inp

000100616.b3lyp_6-31g(d).qchem.inp (generated)

000100616.b3lyp_6-31g(d).gjf (generated)

000100616.b3lyp_6-31g(d).firefly.inp (generated)

000100616.b3lyp_6-31g(d).smash.inp (generated)

000100616.b3lyp_6-31g(d).nwchem.inp (generated) 000100616.b3lyp_6-31g(d).log.xz 000100616.td-b3lyp_6-31g+(d).inp 000100616.td-b3lyp_6-31g+(d).log.xz

000100616.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100616.td-b3lyp_6-31+g(d).gjf (generated)

000100616.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100616.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100616.mol 000100616.PUBCHEM 000100616.mol (via Jmol)
000100617.b3lyp_6-31g(d).inp

000100617.b3lyp_6-31g(d).qchem.inp (generated)

000100617.b3lyp_6-31g(d).gjf (generated)

000100617.b3lyp_6-31g(d).firefly.inp (generated)

000100617.b3lyp_6-31g(d).smash.inp (generated)

000100617.b3lyp_6-31g(d).nwchem.inp (generated) 000100617.b3lyp_6-31g(d).log.xz 000100617.td-b3lyp_6-31g+(d).inp 000100617.td-b3lyp_6-31g+(d).log.xz

000100617.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100617.td-b3lyp_6-31+g(d).gjf (generated)

000100617.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100617.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100617.mol 000100617.PUBCHEM 000100617.mol (via Jmol)
000100622.b3lyp_6-31g(d).inp

000100622.b3lyp_6-31g(d).qchem.inp (generated)

000100622.b3lyp_6-31g(d).gjf (generated)

000100622.b3lyp_6-31g(d).firefly.inp (generated)

000100622.b3lyp_6-31g(d).smash.inp (generated)

000100622.b3lyp_6-31g(d).nwchem.inp (generated) 000100622.b3lyp_6-31g(d).log.xz 000100622.td-b3lyp_6-31g+(d).inp 000100622.td-b3lyp_6-31g+(d).log.xz

000100622.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100622.td-b3lyp_6-31+g(d).gjf (generated)

000100622.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100622.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100622.mol 000100622.PUBCHEM 000100622.mol (via Jmol)
000100627.b3lyp_6-31g(d).inp

000100627.b3lyp_6-31g(d).qchem.inp (generated)

000100627.b3lyp_6-31g(d).gjf (generated)

000100627.b3lyp_6-31g(d).firefly.inp (generated)

000100627.b3lyp_6-31g(d).smash.inp (generated)

000100627.b3lyp_6-31g(d).nwchem.inp (generated) 000100627.b3lyp_6-31g(d).log.xz 000100627.td-b3lyp_6-31g+(d).inp 000100627.td-b3lyp_6-31g+(d).log.xz

000100627.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100627.td-b3lyp_6-31+g(d).gjf (generated)

000100627.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100627.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100627.mol 000100627.PUBCHEM 000100627.mol (via Jmol)
000100631.b3lyp_6-31g(d).inp

000100631.b3lyp_6-31g(d).qchem.inp (generated)

000100631.b3lyp_6-31g(d).gjf (generated)

000100631.b3lyp_6-31g(d).firefly.inp (generated)

000100631.b3lyp_6-31g(d).smash.inp (generated)

000100631.b3lyp_6-31g(d).nwchem.inp (generated) 000100631.b3lyp_6-31g(d).log.xz 000100631.td-b3lyp_6-31g+(d).inp 000100631.td-b3lyp_6-31g+(d).log.xz

000100631.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100631.td-b3lyp_6-31+g(d).gjf (generated)

000100631.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100631.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100631.mol 000100631.PUBCHEM 000100631.mol (via Jmol)
000100632.b3lyp_6-31g(d).inp

000100632.b3lyp_6-31g(d).qchem.inp (generated)

000100632.b3lyp_6-31g(d).gjf (generated)

000100632.b3lyp_6-31g(d).firefly.inp (generated)

000100632.b3lyp_6-31g(d).smash.inp (generated)

000100632.b3lyp_6-31g(d).nwchem.inp (generated) 000100632.b3lyp_6-31g(d).log.xz 000100632.td-b3lyp_6-31g+(d).inp 000100632.td-b3lyp_6-31g+(d).log.xz

000100632.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100632.td-b3lyp_6-31+g(d).gjf (generated)

000100632.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100632.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100632.mol 000100632.PUBCHEM 000100632.mol (via Jmol)
000100637.b3lyp_6-31g(d).inp

000100637.b3lyp_6-31g(d).qchem.inp (generated)

000100637.b3lyp_6-31g(d).gjf (generated)

000100637.b3lyp_6-31g(d).firefly.inp (generated)

000100637.b3lyp_6-31g(d).smash.inp (generated)

000100637.b3lyp_6-31g(d).nwchem.inp (generated) 000100637.b3lyp_6-31g(d).log.xz 000100637.td-b3lyp_6-31g+(d).inp 000100637.td-b3lyp_6-31g+(d).log.xz

000100637.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100637.td-b3lyp_6-31+g(d).gjf (generated)

000100637.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100637.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100637.mol 000100637.PUBCHEM 000100637.mol (via Jmol)
000100641.b3lyp_6-31g(d).inp

000100641.b3lyp_6-31g(d).qchem.inp (generated)

000100641.b3lyp_6-31g(d).gjf (generated)

000100641.b3lyp_6-31g(d).firefly.inp (generated)

000100641.b3lyp_6-31g(d).smash.inp (generated)

000100641.b3lyp_6-31g(d).nwchem.inp (generated) 000100641.b3lyp_6-31g(d).log.xz 000100641.td-b3lyp_6-31g+(d).inp 000100641.td-b3lyp_6-31g+(d).log.xz

000100641.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100641.td-b3lyp_6-31+g(d).gjf (generated)

000100641.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100641.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100641.mol 000100641.PUBCHEM 000100641.mol (via Jmol)
000100643.b3lyp_6-31g(d).inp

000100643.b3lyp_6-31g(d).qchem.inp (generated)

000100643.b3lyp_6-31g(d).gjf (generated)

000100643.b3lyp_6-31g(d).firefly.inp (generated)

000100643.b3lyp_6-31g(d).smash.inp (generated)

000100643.b3lyp_6-31g(d).nwchem.inp (generated) 000100643.b3lyp_6-31g(d).log.xz 000100643.td-b3lyp_6-31g+(d).inp 000100643.td-b3lyp_6-31g+(d).log.xz

000100643.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100643.td-b3lyp_6-31+g(d).gjf (generated)

000100643.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100643.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100643.mol 000100643.PUBCHEM 000100643.mol (via Jmol)
000100645.b3lyp_6-31g(d).inp

000100645.b3lyp_6-31g(d).qchem.inp (generated)

000100645.b3lyp_6-31g(d).gjf (generated)

000100645.b3lyp_6-31g(d).firefly.inp (generated)

000100645.b3lyp_6-31g(d).smash.inp (generated)

000100645.b3lyp_6-31g(d).nwchem.inp (generated) 000100645.b3lyp_6-31g(d).log.xz 000100645.td-b3lyp_6-31g+(d).inp 000100645.td-b3lyp_6-31g+(d).log.xz

000100645.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100645.td-b3lyp_6-31+g(d).gjf (generated)

000100645.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100645.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100645.mol 000100645.PUBCHEM 000100645.mol (via Jmol)
000100646.b3lyp_6-31g(d).inp

000100646.b3lyp_6-31g(d).qchem.inp (generated)

000100646.b3lyp_6-31g(d).gjf (generated)

000100646.b3lyp_6-31g(d).firefly.inp (generated)

000100646.b3lyp_6-31g(d).smash.inp (generated)

000100646.b3lyp_6-31g(d).nwchem.inp (generated) 000100646.b3lyp_6-31g(d).log.xz 000100646.td-b3lyp_6-31g+(d).inp 000100646.td-b3lyp_6-31g+(d).log.xz

000100646.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100646.td-b3lyp_6-31+g(d).gjf (generated)

000100646.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100646.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100646.mol 000100646.PUBCHEM 000100646.mol (via Jmol)
000100647.b3lyp_6-31g(d).inp

000100647.b3lyp_6-31g(d).qchem.inp (generated)

000100647.b3lyp_6-31g(d).gjf (generated)

000100647.b3lyp_6-31g(d).firefly.inp (generated)

000100647.b3lyp_6-31g(d).smash.inp (generated)

000100647.b3lyp_6-31g(d).nwchem.inp (generated) 000100647.b3lyp_6-31g(d).log.xz 000100647.td-b3lyp_6-31g+(d).inp 000100647.td-b3lyp_6-31g+(d).log.xz

000100647.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100647.td-b3lyp_6-31+g(d).gjf (generated)

000100647.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100647.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100647.mol 000100647.PUBCHEM 000100647.mol (via Jmol)
000100648.b3lyp_6-31g(d).inp

000100648.b3lyp_6-31g(d).qchem.inp (generated)

000100648.b3lyp_6-31g(d).gjf (generated)

000100648.b3lyp_6-31g(d).firefly.inp (generated)

000100648.b3lyp_6-31g(d).smash.inp (generated)

000100648.b3lyp_6-31g(d).nwchem.inp (generated) 000100648.b3lyp_6-31g(d).log.xz 000100648.td-b3lyp_6-31g+(d).inp 000100648.td-b3lyp_6-31g+(d).log.xz

000100648.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100648.td-b3lyp_6-31+g(d).gjf (generated)

000100648.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100648.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100648.mol 000100648.PUBCHEM 000100648.mol (via Jmol)
000100650.b3lyp_6-31g(d).inp

000100650.b3lyp_6-31g(d).qchem.inp (generated)

000100650.b3lyp_6-31g(d).gjf (generated)

000100650.b3lyp_6-31g(d).firefly.inp (generated)

000100650.b3lyp_6-31g(d).smash.inp (generated)

000100650.b3lyp_6-31g(d).nwchem.inp (generated) 000100650.b3lyp_6-31g(d).log.xz 000100650.td-b3lyp_6-31g+(d).inp 000100650.td-b3lyp_6-31g+(d).log.xz

000100650.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100650.td-b3lyp_6-31+g(d).gjf (generated)

000100650.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100650.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100650.mol 000100650.PUBCHEM 000100650.mol (via Jmol)
000100660.b3lyp_6-31g(d).inp

000100660.b3lyp_6-31g(d).qchem.inp (generated)

000100660.b3lyp_6-31g(d).gjf (generated)

000100660.b3lyp_6-31g(d).firefly.inp (generated)

000100660.b3lyp_6-31g(d).smash.inp (generated)

000100660.b3lyp_6-31g(d).nwchem.inp (generated) 000100660.b3lyp_6-31g(d).log.xz 000100660.td-b3lyp_6-31g+(d).inp 000100660.td-b3lyp_6-31g+(d).log.xz

000100660.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100660.td-b3lyp_6-31+g(d).gjf (generated)

000100660.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100660.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100660.mol 000100660.PUBCHEM 000100660.mol (via Jmol)
000100661.b3lyp_6-31g(d).inp

000100661.b3lyp_6-31g(d).qchem.inp (generated)

000100661.b3lyp_6-31g(d).gjf (generated)

000100661.b3lyp_6-31g(d).firefly.inp (generated)

000100661.b3lyp_6-31g(d).smash.inp (generated)

000100661.b3lyp_6-31g(d).nwchem.inp (generated) 000100661.b3lyp_6-31g(d).log.xz 000100661.td-b3lyp_6-31g+(d).inp 000100661.td-b3lyp_6-31g+(d).log.xz

000100661.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100661.td-b3lyp_6-31+g(d).gjf (generated)

000100661.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100661.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100661.mol 000100661.PUBCHEM 000100661.mol (via Jmol)
000100662.b3lyp_6-31g(d).inp

000100662.b3lyp_6-31g(d).qchem.inp (generated)

000100662.b3lyp_6-31g(d).gjf (generated)

000100662.b3lyp_6-31g(d).firefly.inp (generated)

000100662.b3lyp_6-31g(d).smash.inp (generated)

000100662.b3lyp_6-31g(d).nwchem.inp (generated) 000100662.b3lyp_6-31g(d).log.xz 000100662.td-b3lyp_6-31g+(d).inp 000100662.td-b3lyp_6-31g+(d).log.xz

000100662.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100662.td-b3lyp_6-31+g(d).gjf (generated)

000100662.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100662.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100662.mol 000100662.PUBCHEM 000100662.mol (via Jmol)
000100664.b3lyp_6-31g(d).inp

000100664.b3lyp_6-31g(d).qchem.inp (generated)

000100664.b3lyp_6-31g(d).gjf (generated)

000100664.b3lyp_6-31g(d).firefly.inp (generated)

000100664.b3lyp_6-31g(d).smash.inp (generated)

000100664.b3lyp_6-31g(d).nwchem.inp (generated) 000100664.b3lyp_6-31g(d).log.xz 000100664.td-b3lyp_6-31g+(d).inp 000100664.td-b3lyp_6-31g+(d).log.xz

000100664.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100664.td-b3lyp_6-31+g(d).gjf (generated)

000100664.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100664.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100664.mol 000100664.PUBCHEM 000100664.mol (via Jmol)
000100667.b3lyp_6-31g(d).inp

000100667.b3lyp_6-31g(d).qchem.inp (generated)

000100667.b3lyp_6-31g(d).gjf (generated)

000100667.b3lyp_6-31g(d).firefly.inp (generated)

000100667.b3lyp_6-31g(d).smash.inp (generated)

000100667.b3lyp_6-31g(d).nwchem.inp (generated) 000100667.b3lyp_6-31g(d).log.xz 000100667.td-b3lyp_6-31g+(d).inp 000100667.td-b3lyp_6-31g+(d).log.xz

000100667.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100667.td-b3lyp_6-31+g(d).gjf (generated)

000100667.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100667.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100667.mol 000100667.PUBCHEM 000100667.mol (via Jmol)
000100673.b3lyp_6-31g(d).inp

000100673.b3lyp_6-31g(d).qchem.inp (generated)

000100673.b3lyp_6-31g(d).gjf (generated)

000100673.b3lyp_6-31g(d).firefly.inp (generated)

000100673.b3lyp_6-31g(d).smash.inp (generated)

000100673.b3lyp_6-31g(d).nwchem.inp (generated) 000100673.b3lyp_6-31g(d).log.xz 000100673.td-b3lyp_6-31g+(d).inp 000100673.td-b3lyp_6-31g+(d).log.xz

000100673.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100673.td-b3lyp_6-31+g(d).gjf (generated)

000100673.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100673.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100673.mol 000100673.PUBCHEM 000100673.mol (via Jmol)
000100684.b3lyp_6-31g(d).inp

000100684.b3lyp_6-31g(d).qchem.inp (generated)

000100684.b3lyp_6-31g(d).gjf (generated)

000100684.b3lyp_6-31g(d).firefly.inp (generated)

000100684.b3lyp_6-31g(d).smash.inp (generated)

000100684.b3lyp_6-31g(d).nwchem.inp (generated) 000100684.b3lyp_6-31g(d).log.xz 000100684.td-b3lyp_6-31g+(d).inp 000100684.td-b3lyp_6-31g+(d).log.xz

000100684.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100684.td-b3lyp_6-31+g(d).gjf (generated)

000100684.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100684.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100684.mol 000100684.PUBCHEM 000100684.mol (via Jmol)
000100685.b3lyp_6-31g(d).inp

000100685.b3lyp_6-31g(d).qchem.inp (generated)

000100685.b3lyp_6-31g(d).gjf (generated)

000100685.b3lyp_6-31g(d).firefly.inp (generated)

000100685.b3lyp_6-31g(d).smash.inp (generated)

000100685.b3lyp_6-31g(d).nwchem.inp (generated) 000100685.b3lyp_6-31g(d).log.xz 000100685.td-b3lyp_6-31g+(d).inp 000100685.td-b3lyp_6-31g+(d).log.xz

000100685.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100685.td-b3lyp_6-31+g(d).gjf (generated)

000100685.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100685.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100685.mol 000100685.PUBCHEM 000100685.mol (via Jmol)
000100686.b3lyp_6-31g(d).inp

000100686.b3lyp_6-31g(d).qchem.inp (generated)

000100686.b3lyp_6-31g(d).gjf (generated)

000100686.b3lyp_6-31g(d).firefly.inp (generated)

000100686.b3lyp_6-31g(d).smash.inp (generated)

000100686.b3lyp_6-31g(d).nwchem.inp (generated) 000100686.b3lyp_6-31g(d).log.xz 000100686.td-b3lyp_6-31g+(d).inp 000100686.td-b3lyp_6-31g+(d).log.xz

000100686.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100686.td-b3lyp_6-31+g(d).gjf (generated)

000100686.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100686.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100686.mol 000100686.PUBCHEM 000100686.mol (via Jmol)
000100687.b3lyp_6-31g(d).inp

000100687.b3lyp_6-31g(d).qchem.inp (generated)

000100687.b3lyp_6-31g(d).gjf (generated)

000100687.b3lyp_6-31g(d).firefly.inp (generated)

000100687.b3lyp_6-31g(d).smash.inp (generated)

000100687.b3lyp_6-31g(d).nwchem.inp (generated) 000100687.b3lyp_6-31g(d).log.xz 000100687.td-b3lyp_6-31g+(d).inp 000100687.td-b3lyp_6-31g+(d).log.xz

000100687.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100687.td-b3lyp_6-31+g(d).gjf (generated)

000100687.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100687.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100687.mol 000100687.PUBCHEM 000100687.mol (via Jmol)
000100689.b3lyp_6-31g(d).inp

000100689.b3lyp_6-31g(d).qchem.inp (generated)

000100689.b3lyp_6-31g(d).gjf (generated)

000100689.b3lyp_6-31g(d).firefly.inp (generated)

000100689.b3lyp_6-31g(d).smash.inp (generated)

000100689.b3lyp_6-31g(d).nwchem.inp (generated) 000100689.b3lyp_6-31g(d).log.xz 000100689.td-b3lyp_6-31g+(d).inp 000100689.td-b3lyp_6-31g+(d).log.xz

000100689.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100689.td-b3lyp_6-31+g(d).gjf (generated)

000100689.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100689.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100689.mol 000100689.PUBCHEM 000100689.mol (via Jmol)
000100692.b3lyp_6-31g(d).inp

000100692.b3lyp_6-31g(d).qchem.inp (generated)

000100692.b3lyp_6-31g(d).gjf (generated)

000100692.b3lyp_6-31g(d).firefly.inp (generated)

000100692.b3lyp_6-31g(d).smash.inp (generated)

000100692.b3lyp_6-31g(d).nwchem.inp (generated) 000100692.b3lyp_6-31g(d).log.xz 000100692.td-b3lyp_6-31g+(d).inp 000100692.td-b3lyp_6-31g+(d).log.xz

000100692.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100692.td-b3lyp_6-31+g(d).gjf (generated)

000100692.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100692.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100692.mol 000100692.PUBCHEM 000100692.mol (via Jmol)
000100695.b3lyp_6-31g(d).inp

000100695.b3lyp_6-31g(d).qchem.inp (generated)

000100695.b3lyp_6-31g(d).gjf (generated)

000100695.b3lyp_6-31g(d).firefly.inp (generated)

000100695.b3lyp_6-31g(d).smash.inp (generated)

000100695.b3lyp_6-31g(d).nwchem.inp (generated) 000100695.b3lyp_6-31g(d).log.xz 000100695.td-b3lyp_6-31g+(d).inp 000100695.td-b3lyp_6-31g+(d).log.xz

000100695.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100695.td-b3lyp_6-31+g(d).gjf (generated)

000100695.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100695.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100695.mol 000100695.PUBCHEM 000100695.mol (via Jmol)
000100697.b3lyp_6-31g(d).inp

000100697.b3lyp_6-31g(d).qchem.inp (generated)

000100697.b3lyp_6-31g(d).gjf (generated)

000100697.b3lyp_6-31g(d).firefly.inp (generated)

000100697.b3lyp_6-31g(d).smash.inp (generated)

000100697.b3lyp_6-31g(d).nwchem.inp (generated) 000100697.b3lyp_6-31g(d).log.xz 000100697.td-b3lyp_6-31g+(d).inp 000100697.td-b3lyp_6-31g+(d).log.xz

000100697.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100697.td-b3lyp_6-31+g(d).gjf (generated)

000100697.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100697.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100697.mol 000100697.PUBCHEM 000100697.mol (via Jmol)
000100698.b3lyp_6-31g(d).inp

000100698.b3lyp_6-31g(d).qchem.inp (generated)

000100698.b3lyp_6-31g(d).gjf (generated)

000100698.b3lyp_6-31g(d).firefly.inp (generated)

000100698.b3lyp_6-31g(d).smash.inp (generated)

000100698.b3lyp_6-31g(d).nwchem.inp (generated) 000100698.b3lyp_6-31g(d).log.xz 000100698.td-b3lyp_6-31g+(d).inp 000100698.td-b3lyp_6-31g+(d).log.xz

000100698.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100698.td-b3lyp_6-31+g(d).gjf (generated)

000100698.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100698.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100698.mol 000100698.PUBCHEM 000100698.mol (via Jmol)
000100703.b3lyp_6-31g(d).inp

000100703.b3lyp_6-31g(d).qchem.inp (generated)

000100703.b3lyp_6-31g(d).gjf (generated)

000100703.b3lyp_6-31g(d).firefly.inp (generated)

000100703.b3lyp_6-31g(d).smash.inp (generated)

000100703.b3lyp_6-31g(d).nwchem.inp (generated) 000100703.b3lyp_6-31g(d).log.xz 000100703.td-b3lyp_6-31g+(d).inp 000100703.td-b3lyp_6-31g+(d).log.xz

000100703.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100703.td-b3lyp_6-31+g(d).gjf (generated)

000100703.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100703.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100703.mol 000100703.PUBCHEM 000100703.mol (via Jmol)
000100705.b3lyp_6-31g(d).inp

000100705.b3lyp_6-31g(d).qchem.inp (generated)

000100705.b3lyp_6-31g(d).gjf (generated)

000100705.b3lyp_6-31g(d).firefly.inp (generated)

000100705.b3lyp_6-31g(d).smash.inp (generated)

000100705.b3lyp_6-31g(d).nwchem.inp (generated) 000100705.b3lyp_6-31g(d).log.xz 000100705.td-b3lyp_6-31g+(d).inp 000100705.td-b3lyp_6-31g+(d).log.xz

000100705.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100705.td-b3lyp_6-31+g(d).gjf (generated)

000100705.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100705.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100705.mol 000100705.PUBCHEM 000100705.mol (via Jmol)
000100706.b3lyp_6-31g(d).inp

000100706.b3lyp_6-31g(d).qchem.inp (generated)

000100706.b3lyp_6-31g(d).gjf (generated)

000100706.b3lyp_6-31g(d).firefly.inp (generated)

000100706.b3lyp_6-31g(d).smash.inp (generated)

000100706.b3lyp_6-31g(d).nwchem.inp (generated) 000100706.b3lyp_6-31g(d).log.xz 000100706.td-b3lyp_6-31g+(d).inp 000100706.td-b3lyp_6-31g+(d).log.xz

000100706.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100706.td-b3lyp_6-31+g(d).gjf (generated)

000100706.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100706.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100706.mol 000100706.PUBCHEM 000100706.mol (via Jmol)
000100714.b3lyp_6-31g(d).inp

000100714.b3lyp_6-31g(d).qchem.inp (generated)

000100714.b3lyp_6-31g(d).gjf (generated)

000100714.b3lyp_6-31g(d).firefly.inp (generated)

000100714.b3lyp_6-31g(d).smash.inp (generated)

000100714.b3lyp_6-31g(d).nwchem.inp (generated) 000100714.b3lyp_6-31g(d).log.xz 000100714.td-b3lyp_6-31g+(d).inp 000100714.td-b3lyp_6-31g+(d).log.xz

000100714.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100714.td-b3lyp_6-31+g(d).gjf (generated)

000100714.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100714.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100714.mol 000100714.PUBCHEM 000100714.mol (via Jmol)
000100722.b3lyp_6-31g(d).inp

000100722.b3lyp_6-31g(d).qchem.inp (generated)

000100722.b3lyp_6-31g(d).gjf (generated)

000100722.b3lyp_6-31g(d).firefly.inp (generated)

000100722.b3lyp_6-31g(d).smash.inp (generated)

000100722.b3lyp_6-31g(d).nwchem.inp (generated) 000100722.b3lyp_6-31g(d).log.xz 000100722.td-b3lyp_6-31g+(d).inp 000100722.td-b3lyp_6-31g+(d).log.xz

000100722.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100722.td-b3lyp_6-31+g(d).gjf (generated)

000100722.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100722.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100722.mol 000100722.PUBCHEM 000100722.mol (via Jmol)
000100723.b3lyp_6-31g(d).inp

000100723.b3lyp_6-31g(d).qchem.inp (generated)

000100723.b3lyp_6-31g(d).gjf (generated)

000100723.b3lyp_6-31g(d).firefly.inp (generated)

000100723.b3lyp_6-31g(d).smash.inp (generated)

000100723.b3lyp_6-31g(d).nwchem.inp (generated) 000100723.b3lyp_6-31g(d).log.xz 000100723.td-b3lyp_6-31g+(d).inp 000100723.td-b3lyp_6-31g+(d).log.xz

000100723.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100723.td-b3lyp_6-31+g(d).gjf (generated)

000100723.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100723.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100723.mol 000100723.PUBCHEM 000100723.mol (via Jmol)
000100727.b3lyp_6-31g(d).inp

000100727.b3lyp_6-31g(d).qchem.inp (generated)

000100727.b3lyp_6-31g(d).gjf (generated)

000100727.b3lyp_6-31g(d).firefly.inp (generated)

000100727.b3lyp_6-31g(d).smash.inp (generated)

000100727.b3lyp_6-31g(d).nwchem.inp (generated) 000100727.b3lyp_6-31g(d).log.xz 000100727.td-b3lyp_6-31g+(d).inp 000100727.td-b3lyp_6-31g+(d).log.xz

000100727.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100727.td-b3lyp_6-31+g(d).gjf (generated)

000100727.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100727.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100727.mol 000100727.PUBCHEM 000100727.mol (via Jmol)
000100729.b3lyp_6-31g(d).inp

000100729.b3lyp_6-31g(d).qchem.inp (generated)

000100729.b3lyp_6-31g(d).gjf (generated)

000100729.b3lyp_6-31g(d).firefly.inp (generated)

000100729.b3lyp_6-31g(d).smash.inp (generated)

000100729.b3lyp_6-31g(d).nwchem.inp (generated) 000100729.b3lyp_6-31g(d).log.xz 000100729.td-b3lyp_6-31g+(d).inp 000100729.td-b3lyp_6-31g+(d).log.xz

000100729.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100729.td-b3lyp_6-31+g(d).gjf (generated)

000100729.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100729.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100729.mol 000100729.PUBCHEM 000100729.mol (via Jmol)
000100730.b3lyp_6-31g(d).inp

000100730.b3lyp_6-31g(d).qchem.inp (generated)

000100730.b3lyp_6-31g(d).gjf (generated)

000100730.b3lyp_6-31g(d).firefly.inp (generated)

000100730.b3lyp_6-31g(d).smash.inp (generated)

000100730.b3lyp_6-31g(d).nwchem.inp (generated) 000100730.b3lyp_6-31g(d).log.xz 000100730.td-b3lyp_6-31g+(d).inp 000100730.td-b3lyp_6-31g+(d).log.xz

000100730.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100730.td-b3lyp_6-31+g(d).gjf (generated)

000100730.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100730.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100730.mol 000100730.PUBCHEM 000100730.mol (via Jmol)
000100733.b3lyp_6-31g(d).inp

000100733.b3lyp_6-31g(d).qchem.inp (generated)

000100733.b3lyp_6-31g(d).gjf (generated)

000100733.b3lyp_6-31g(d).firefly.inp (generated)

000100733.b3lyp_6-31g(d).smash.inp (generated)

000100733.b3lyp_6-31g(d).nwchem.inp (generated) 000100733.b3lyp_6-31g(d).log.xz 000100733.td-b3lyp_6-31g+(d).inp 000100733.td-b3lyp_6-31g+(d).log.xz

000100733.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100733.td-b3lyp_6-31+g(d).gjf (generated)

000100733.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100733.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100733.mol 000100733.PUBCHEM 000100733.mol (via Jmol)
000100736.b3lyp_6-31g(d).inp

000100736.b3lyp_6-31g(d).qchem.inp (generated)

000100736.b3lyp_6-31g(d).gjf (generated)

000100736.b3lyp_6-31g(d).firefly.inp (generated)

000100736.b3lyp_6-31g(d).smash.inp (generated)

000100736.b3lyp_6-31g(d).nwchem.inp (generated) 000100736.b3lyp_6-31g(d).log.xz 000100736.td-b3lyp_6-31g+(d).inp 000100736.td-b3lyp_6-31g+(d).log.xz

000100736.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100736.td-b3lyp_6-31+g(d).gjf (generated)

000100736.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100736.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100736.mol 000100736.PUBCHEM 000100736.mol (via Jmol)
000100737.b3lyp_6-31g(d).inp

000100737.b3lyp_6-31g(d).qchem.inp (generated)

000100737.b3lyp_6-31g(d).gjf (generated)

000100737.b3lyp_6-31g(d).firefly.inp (generated)

000100737.b3lyp_6-31g(d).smash.inp (generated)

000100737.b3lyp_6-31g(d).nwchem.inp (generated) 000100737.b3lyp_6-31g(d).log.xz 000100737.td-b3lyp_6-31g+(d).inp 000100737.td-b3lyp_6-31g+(d).log.xz

000100737.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100737.td-b3lyp_6-31+g(d).gjf (generated)

000100737.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100737.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100737.mol 000100737.PUBCHEM 000100737.mol (via Jmol)
000100738.b3lyp_6-31g(d).inp

000100738.b3lyp_6-31g(d).qchem.inp (generated)

000100738.b3lyp_6-31g(d).gjf (generated)

000100738.b3lyp_6-31g(d).firefly.inp (generated)

000100738.b3lyp_6-31g(d).smash.inp (generated)

000100738.b3lyp_6-31g(d).nwchem.inp (generated) 000100738.b3lyp_6-31g(d).log.xz 000100738.td-b3lyp_6-31g+(d).inp 000100738.td-b3lyp_6-31g+(d).log.xz

000100738.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100738.td-b3lyp_6-31+g(d).gjf (generated)

000100738.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100738.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100738.mol 000100738.PUBCHEM 000100738.mol (via Jmol)
000100739.b3lyp_6-31g(d).inp

000100739.b3lyp_6-31g(d).qchem.inp (generated)

000100739.b3lyp_6-31g(d).gjf (generated)

000100739.b3lyp_6-31g(d).firefly.inp (generated)

000100739.b3lyp_6-31g(d).smash.inp (generated)

000100739.b3lyp_6-31g(d).nwchem.inp (generated) 000100739.b3lyp_6-31g(d).log.xz 000100739.td-b3lyp_6-31g+(d).inp 000100739.td-b3lyp_6-31g+(d).log.xz

000100739.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100739.td-b3lyp_6-31+g(d).gjf (generated)

000100739.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100739.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100739.mol 000100739.PUBCHEM 000100739.mol (via Jmol)
000100741.b3lyp_6-31g(d).inp

000100741.b3lyp_6-31g(d).qchem.inp (generated)

000100741.b3lyp_6-31g(d).gjf (generated)

000100741.b3lyp_6-31g(d).firefly.inp (generated)

000100741.b3lyp_6-31g(d).smash.inp (generated)

000100741.b3lyp_6-31g(d).nwchem.inp (generated) 000100741.b3lyp_6-31g(d).log.xz 000100741.td-b3lyp_6-31g+(d).inp 000100741.td-b3lyp_6-31g+(d).log.xz

000100741.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100741.td-b3lyp_6-31+g(d).gjf (generated)

000100741.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100741.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100741.mol 000100741.PUBCHEM 000100741.mol (via Jmol)
000100742.b3lyp_6-31g(d).inp

000100742.b3lyp_6-31g(d).qchem.inp (generated)

000100742.b3lyp_6-31g(d).gjf (generated)

000100742.b3lyp_6-31g(d).firefly.inp (generated)

000100742.b3lyp_6-31g(d).smash.inp (generated)

000100742.b3lyp_6-31g(d).nwchem.inp (generated) 000100742.b3lyp_6-31g(d).log.xz 000100742.td-b3lyp_6-31g+(d).inp 000100742.td-b3lyp_6-31g+(d).log.xz

000100742.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100742.td-b3lyp_6-31+g(d).gjf (generated)

000100742.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100742.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100742.mol 000100742.PUBCHEM 000100742.mol (via Jmol)
000100744.b3lyp_6-31g(d).inp

000100744.b3lyp_6-31g(d).qchem.inp (generated)

000100744.b3lyp_6-31g(d).gjf (generated)

000100744.b3lyp_6-31g(d).firefly.inp (generated)

000100744.b3lyp_6-31g(d).smash.inp (generated)

000100744.b3lyp_6-31g(d).nwchem.inp (generated) 000100744.b3lyp_6-31g(d).log.xz 000100744.td-b3lyp_6-31g+(d).inp 000100744.td-b3lyp_6-31g+(d).log.xz

000100744.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100744.td-b3lyp_6-31+g(d).gjf (generated)

000100744.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100744.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100744.mol 000100744.PUBCHEM 000100744.mol (via Jmol)
000100748.b3lyp_6-31g(d).inp

000100748.b3lyp_6-31g(d).qchem.inp (generated)

000100748.b3lyp_6-31g(d).gjf (generated)

000100748.b3lyp_6-31g(d).firefly.inp (generated)

000100748.b3lyp_6-31g(d).smash.inp (generated)

000100748.b3lyp_6-31g(d).nwchem.inp (generated) 000100748.b3lyp_6-31g(d).log.xz 000100748.td-b3lyp_6-31g+(d).inp 000100748.td-b3lyp_6-31g+(d).log.xz

000100748.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100748.td-b3lyp_6-31+g(d).gjf (generated)

000100748.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100748.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100748.mol 000100748.PUBCHEM 000100748.mol (via Jmol)
000100749.b3lyp_6-31g(d).inp

000100749.b3lyp_6-31g(d).qchem.inp (generated)

000100749.b3lyp_6-31g(d).gjf (generated)

000100749.b3lyp_6-31g(d).firefly.inp (generated)

000100749.b3lyp_6-31g(d).smash.inp (generated)

000100749.b3lyp_6-31g(d).nwchem.inp (generated) 000100749.b3lyp_6-31g(d).log.xz 000100749.td-b3lyp_6-31g+(d).inp 000100749.td-b3lyp_6-31g+(d).log.xz

000100749.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100749.td-b3lyp_6-31+g(d).gjf (generated)

000100749.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100749.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100749.mol 000100749.PUBCHEM 000100749.mol (via Jmol)
000100752.b3lyp_6-31g(d).inp

000100752.b3lyp_6-31g(d).qchem.inp (generated)

000100752.b3lyp_6-31g(d).gjf (generated)

000100752.b3lyp_6-31g(d).firefly.inp (generated)

000100752.b3lyp_6-31g(d).smash.inp (generated)

000100752.b3lyp_6-31g(d).nwchem.inp (generated) 000100752.b3lyp_6-31g(d).log.xz 000100752.td-b3lyp_6-31g+(d).inp 000100752.td-b3lyp_6-31g+(d).log.xz

000100752.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100752.td-b3lyp_6-31+g(d).gjf (generated)

000100752.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100752.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100752.mol 000100752.PUBCHEM 000100752.mol (via Jmol)
000100754.b3lyp_6-31g(d).inp

000100754.b3lyp_6-31g(d).qchem.inp (generated)

000100754.b3lyp_6-31g(d).gjf (generated)

000100754.b3lyp_6-31g(d).firefly.inp (generated)

000100754.b3lyp_6-31g(d).smash.inp (generated)

000100754.b3lyp_6-31g(d).nwchem.inp (generated) 000100754.b3lyp_6-31g(d).log.xz 000100754.td-b3lyp_6-31g+(d).inp 000100754.td-b3lyp_6-31g+(d).log.xz

000100754.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100754.td-b3lyp_6-31+g(d).gjf (generated)

000100754.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100754.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100754.mol 000100754.PUBCHEM 000100754.mol (via Jmol)
000100765.b3lyp_6-31g(d).inp

000100765.b3lyp_6-31g(d).qchem.inp (generated)

000100765.b3lyp_6-31g(d).gjf (generated)

000100765.b3lyp_6-31g(d).firefly.inp (generated)

000100765.b3lyp_6-31g(d).smash.inp (generated)

000100765.b3lyp_6-31g(d).nwchem.inp (generated) 000100765.b3lyp_6-31g(d).log.xz 000100765.td-b3lyp_6-31g+(d).inp 000100765.td-b3lyp_6-31g+(d).log.xz

000100765.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100765.td-b3lyp_6-31+g(d).gjf (generated)

000100765.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100765.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100765.mol 000100765.PUBCHEM 000100765.mol (via Jmol)
000100767.b3lyp_6-31g(d).inp

000100767.b3lyp_6-31g(d).qchem.inp (generated)

000100767.b3lyp_6-31g(d).gjf (generated)

000100767.b3lyp_6-31g(d).firefly.inp (generated)

000100767.b3lyp_6-31g(d).smash.inp (generated)

000100767.b3lyp_6-31g(d).nwchem.inp (generated) 000100767.b3lyp_6-31g(d).log.xz 000100767.td-b3lyp_6-31g+(d).inp 000100767.td-b3lyp_6-31g+(d).log.xz

000100767.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100767.td-b3lyp_6-31+g(d).gjf (generated)

000100767.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100767.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100767.mol 000100767.PUBCHEM 000100767.mol (via Jmol)
000100768.b3lyp_6-31g(d).inp

000100768.b3lyp_6-31g(d).qchem.inp (generated)

000100768.b3lyp_6-31g(d).gjf (generated)

000100768.b3lyp_6-31g(d).firefly.inp (generated)

000100768.b3lyp_6-31g(d).smash.inp (generated)

000100768.b3lyp_6-31g(d).nwchem.inp (generated) 000100768.b3lyp_6-31g(d).log.xz 000100768.td-b3lyp_6-31g+(d).inp 000100768.td-b3lyp_6-31g+(d).log.xz

000100768.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100768.td-b3lyp_6-31+g(d).gjf (generated)

000100768.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100768.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100768.mol 000100768.PUBCHEM 000100768.mol (via Jmol)
000100773.b3lyp_6-31g(d).inp

000100773.b3lyp_6-31g(d).qchem.inp (generated)

000100773.b3lyp_6-31g(d).gjf (generated)

000100773.b3lyp_6-31g(d).firefly.inp (generated)

000100773.b3lyp_6-31g(d).smash.inp (generated)

000100773.b3lyp_6-31g(d).nwchem.inp (generated) 000100773.b3lyp_6-31g(d).log.xz 000100773.td-b3lyp_6-31g+(d).inp 000100773.td-b3lyp_6-31g+(d).log.xz

000100773.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100773.td-b3lyp_6-31+g(d).gjf (generated)

000100773.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100773.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100773.mol 000100773.PUBCHEM 000100773.mol (via Jmol)
000100778.b3lyp_6-31g(d).inp

000100778.b3lyp_6-31g(d).qchem.inp (generated)

000100778.b3lyp_6-31g(d).gjf (generated)

000100778.b3lyp_6-31g(d).firefly.inp (generated)

000100778.b3lyp_6-31g(d).smash.inp (generated)

000100778.b3lyp_6-31g(d).nwchem.inp (generated) 000100778.b3lyp_6-31g(d).log.xz 000100778.td-b3lyp_6-31g+(d).inp 000100778.td-b3lyp_6-31g+(d).log.xz

000100778.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100778.td-b3lyp_6-31+g(d).gjf (generated)

000100778.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100778.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100778.mol 000100778.PUBCHEM 000100778.mol (via Jmol)
000100780.b3lyp_6-31g(d).inp

000100780.b3lyp_6-31g(d).qchem.inp (generated)

000100780.b3lyp_6-31g(d).gjf (generated)

000100780.b3lyp_6-31g(d).firefly.inp (generated)

000100780.b3lyp_6-31g(d).smash.inp (generated)

000100780.b3lyp_6-31g(d).nwchem.inp (generated) 000100780.b3lyp_6-31g(d).log.xz 000100780.td-b3lyp_6-31g+(d).inp 000100780.td-b3lyp_6-31g+(d).log.xz

000100780.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100780.td-b3lyp_6-31+g(d).gjf (generated)

000100780.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100780.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100780.mol 000100780.PUBCHEM 000100780.mol (via Jmol)
000100782.b3lyp_6-31g(d).inp

000100782.b3lyp_6-31g(d).qchem.inp (generated)

000100782.b3lyp_6-31g(d).gjf (generated)

000100782.b3lyp_6-31g(d).firefly.inp (generated)

000100782.b3lyp_6-31g(d).smash.inp (generated)

000100782.b3lyp_6-31g(d).nwchem.inp (generated) 000100782.b3lyp_6-31g(d).log.xz 000100782.td-b3lyp_6-31g+(d).inp 000100782.td-b3lyp_6-31g+(d).log.xz

000100782.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100782.td-b3lyp_6-31+g(d).gjf (generated)

000100782.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100782.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100782.mol 000100782.PUBCHEM 000100782.mol (via Jmol)
000100783.b3lyp_6-31g(d).inp

000100783.b3lyp_6-31g(d).qchem.inp (generated)

000100783.b3lyp_6-31g(d).gjf (generated)

000100783.b3lyp_6-31g(d).firefly.inp (generated)

000100783.b3lyp_6-31g(d).smash.inp (generated)

000100783.b3lyp_6-31g(d).nwchem.inp (generated) 000100783.b3lyp_6-31g(d).log.xz 000100783.td-b3lyp_6-31g+(d).inp 000100783.td-b3lyp_6-31g+(d).log.xz

000100783.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100783.td-b3lyp_6-31+g(d).gjf (generated)

000100783.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100783.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100783.mol 000100783.PUBCHEM 000100783.mol (via Jmol)
000100784.b3lyp_6-31g(d).inp

000100784.b3lyp_6-31g(d).qchem.inp (generated)

000100784.b3lyp_6-31g(d).gjf (generated)

000100784.b3lyp_6-31g(d).firefly.inp (generated)

000100784.b3lyp_6-31g(d).smash.inp (generated)

000100784.b3lyp_6-31g(d).nwchem.inp (generated) 000100784.b3lyp_6-31g(d).log.xz 000100784.td-b3lyp_6-31g+(d).inp 000100784.td-b3lyp_6-31g+(d).log.xz

000100784.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100784.td-b3lyp_6-31+g(d).gjf (generated)

000100784.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100784.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100784.mol 000100784.PUBCHEM 000100784.mol (via Jmol)
000100785.b3lyp_6-31g(d).inp

000100785.b3lyp_6-31g(d).qchem.inp (generated)

000100785.b3lyp_6-31g(d).gjf (generated)

000100785.b3lyp_6-31g(d).firefly.inp (generated)

000100785.b3lyp_6-31g(d).smash.inp (generated)

000100785.b3lyp_6-31g(d).nwchem.inp (generated) 000100785.b3lyp_6-31g(d).log.xz 000100785.td-b3lyp_6-31g+(d).inp 000100785.td-b3lyp_6-31g+(d).log.xz

000100785.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100785.td-b3lyp_6-31+g(d).gjf (generated)

000100785.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100785.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100785.mol 000100785.PUBCHEM 000100785.mol (via Jmol)
000100787.b3lyp_6-31g(d).inp

000100787.b3lyp_6-31g(d).qchem.inp (generated)

000100787.b3lyp_6-31g(d).gjf (generated)

000100787.b3lyp_6-31g(d).firefly.inp (generated)

000100787.b3lyp_6-31g(d).smash.inp (generated)

000100787.b3lyp_6-31g(d).nwchem.inp (generated) 000100787.b3lyp_6-31g(d).log.xz 000100787.td-b3lyp_6-31g+(d).inp 000100787.td-b3lyp_6-31g+(d).log.xz

000100787.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100787.td-b3lyp_6-31+g(d).gjf (generated)

000100787.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100787.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100787.mol 000100787.PUBCHEM 000100787.mol (via Jmol)
000100788.b3lyp_6-31g(d).inp

000100788.b3lyp_6-31g(d).qchem.inp (generated)

000100788.b3lyp_6-31g(d).gjf (generated)

000100788.b3lyp_6-31g(d).firefly.inp (generated)

000100788.b3lyp_6-31g(d).smash.inp (generated)

000100788.b3lyp_6-31g(d).nwchem.inp (generated) 000100788.b3lyp_6-31g(d).log.xz 000100788.td-b3lyp_6-31g+(d).inp 000100788.td-b3lyp_6-31g+(d).log.xz

000100788.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100788.td-b3lyp_6-31+g(d).gjf (generated)

000100788.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100788.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100788.mol 000100788.PUBCHEM 000100788.mol (via Jmol)
000100789.b3lyp_6-31g(d).inp

000100789.b3lyp_6-31g(d).qchem.inp (generated)

000100789.b3lyp_6-31g(d).gjf (generated)

000100789.b3lyp_6-31g(d).firefly.inp (generated)

000100789.b3lyp_6-31g(d).smash.inp (generated)

000100789.b3lyp_6-31g(d).nwchem.inp (generated) 000100789.b3lyp_6-31g(d).log.xz 000100789.td-b3lyp_6-31g+(d).inp 000100789.td-b3lyp_6-31g+(d).log.xz

000100789.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100789.td-b3lyp_6-31+g(d).gjf (generated)

000100789.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100789.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100789.mol 000100789.PUBCHEM 000100789.mol (via Jmol)
000100791.b3lyp_6-31g(d).inp

000100791.b3lyp_6-31g(d).qchem.inp (generated)

000100791.b3lyp_6-31g(d).gjf (generated)

000100791.b3lyp_6-31g(d).firefly.inp (generated)

000100791.b3lyp_6-31g(d).smash.inp (generated)

000100791.b3lyp_6-31g(d).nwchem.inp (generated) 000100791.b3lyp_6-31g(d).log.xz 000100791.td-b3lyp_6-31g+(d).inp 000100791.td-b3lyp_6-31g+(d).log.xz

000100791.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100791.td-b3lyp_6-31+g(d).gjf (generated)

000100791.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100791.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100791.mol 000100791.PUBCHEM 000100791.mol (via Jmol)
000100795.b3lyp_6-31g(d).inp

000100795.b3lyp_6-31g(d).qchem.inp (generated)

000100795.b3lyp_6-31g(d).gjf (generated)

000100795.b3lyp_6-31g(d).firefly.inp (generated)

000100795.b3lyp_6-31g(d).smash.inp (generated)

000100795.b3lyp_6-31g(d).nwchem.inp (generated) 000100795.b3lyp_6-31g(d).log.xz 000100795.td-b3lyp_6-31g+(d).inp 000100795.td-b3lyp_6-31g+(d).log.xz

000100795.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100795.td-b3lyp_6-31+g(d).gjf (generated)

000100795.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100795.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100795.mol 000100795.PUBCHEM 000100795.mol (via Jmol)
000100797.b3lyp_6-31g(d).inp

000100797.b3lyp_6-31g(d).qchem.inp (generated)

000100797.b3lyp_6-31g(d).gjf (generated)

000100797.b3lyp_6-31g(d).firefly.inp (generated)

000100797.b3lyp_6-31g(d).smash.inp (generated)

000100797.b3lyp_6-31g(d).nwchem.inp (generated) 000100797.b3lyp_6-31g(d).log.xz 000100797.td-b3lyp_6-31g+(d).inp 000100797.td-b3lyp_6-31g+(d).log.xz

000100797.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100797.td-b3lyp_6-31+g(d).gjf (generated)

000100797.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100797.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100797.mol 000100797.PUBCHEM 000100797.mol (via Jmol)
000100798.b3lyp_6-31g(d).inp

000100798.b3lyp_6-31g(d).qchem.inp (generated)

000100798.b3lyp_6-31g(d).gjf (generated)

000100798.b3lyp_6-31g(d).firefly.inp (generated)

000100798.b3lyp_6-31g(d).smash.inp (generated)

000100798.b3lyp_6-31g(d).nwchem.inp (generated) 000100798.b3lyp_6-31g(d).log.xz 000100798.td-b3lyp_6-31g+(d).inp 000100798.td-b3lyp_6-31g+(d).log.xz

000100798.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100798.td-b3lyp_6-31+g(d).gjf (generated)

000100798.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100798.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100798.mol 000100798.PUBCHEM 000100798.mol (via Jmol)
000100800.b3lyp_6-31g(d).inp

000100800.b3lyp_6-31g(d).qchem.inp (generated)

000100800.b3lyp_6-31g(d).gjf (generated)

000100800.b3lyp_6-31g(d).firefly.inp (generated)

000100800.b3lyp_6-31g(d).smash.inp (generated)

000100800.b3lyp_6-31g(d).nwchem.inp (generated) 000100800.b3lyp_6-31g(d).log.xz 000100800.td-b3lyp_6-31g+(d).inp 000100800.td-b3lyp_6-31g+(d).log.xz

000100800.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100800.td-b3lyp_6-31+g(d).gjf (generated)

000100800.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100800.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100800.mol 000100800.PUBCHEM 000100800.mol (via Jmol)
000100801.b3lyp_6-31g(d).inp

000100801.b3lyp_6-31g(d).qchem.inp (generated)

000100801.b3lyp_6-31g(d).gjf (generated)

000100801.b3lyp_6-31g(d).firefly.inp (generated)

000100801.b3lyp_6-31g(d).smash.inp (generated)

000100801.b3lyp_6-31g(d).nwchem.inp (generated) 000100801.b3lyp_6-31g(d).log.xz 000100801.td-b3lyp_6-31g+(d).inp 000100801.td-b3lyp_6-31g+(d).log.xz

000100801.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100801.td-b3lyp_6-31+g(d).gjf (generated)

000100801.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100801.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100801.mol 000100801.PUBCHEM 000100801.mol (via Jmol)
000100802.b3lyp_6-31g(d).inp

000100802.b3lyp_6-31g(d).qchem.inp (generated)

000100802.b3lyp_6-31g(d).gjf (generated)

000100802.b3lyp_6-31g(d).firefly.inp (generated)

000100802.b3lyp_6-31g(d).smash.inp (generated)

000100802.b3lyp_6-31g(d).nwchem.inp (generated) 000100802.b3lyp_6-31g(d).log.xz 000100802.td-b3lyp_6-31g+(d).inp 000100802.td-b3lyp_6-31g+(d).log.xz

000100802.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100802.td-b3lyp_6-31+g(d).gjf (generated)

000100802.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100802.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100802.mol 000100802.PUBCHEM 000100802.mol (via Jmol)
000100805.b3lyp_6-31g(d).inp

000100805.b3lyp_6-31g(d).qchem.inp (generated)

000100805.b3lyp_6-31g(d).gjf (generated)

000100805.b3lyp_6-31g(d).firefly.inp (generated)

000100805.b3lyp_6-31g(d).smash.inp (generated)

000100805.b3lyp_6-31g(d).nwchem.inp (generated) 000100805.b3lyp_6-31g(d).log.xz 000100805.td-b3lyp_6-31g+(d).inp 000100805.td-b3lyp_6-31g+(d).log.xz

000100805.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100805.td-b3lyp_6-31+g(d).gjf (generated)

000100805.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100805.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100805.mol 000100805.PUBCHEM 000100805.mol (via Jmol)
000100806.b3lyp_6-31g(d).inp

000100806.b3lyp_6-31g(d).qchem.inp (generated)

000100806.b3lyp_6-31g(d).gjf (generated)

000100806.b3lyp_6-31g(d).firefly.inp (generated)

000100806.b3lyp_6-31g(d).smash.inp (generated)

000100806.b3lyp_6-31g(d).nwchem.inp (generated) 000100806.b3lyp_6-31g(d).log.xz 000100806.td-b3lyp_6-31g+(d).inp 000100806.td-b3lyp_6-31g+(d).log.xz

000100806.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100806.td-b3lyp_6-31+g(d).gjf (generated)

000100806.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100806.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100806.mol 000100806.PUBCHEM 000100806.mol (via Jmol)
000100810.b3lyp_6-31g(d).inp

000100810.b3lyp_6-31g(d).qchem.inp (generated)

000100810.b3lyp_6-31g(d).gjf (generated)

000100810.b3lyp_6-31g(d).firefly.inp (generated)

000100810.b3lyp_6-31g(d).smash.inp (generated)

000100810.b3lyp_6-31g(d).nwchem.inp (generated) 000100810.b3lyp_6-31g(d).log.xz 000100810.td-b3lyp_6-31g+(d).inp 000100810.td-b3lyp_6-31g+(d).log.xz

000100810.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100810.td-b3lyp_6-31+g(d).gjf (generated)

000100810.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100810.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100810.mol 000100810.PUBCHEM 000100810.mol (via Jmol)
000100818.b3lyp_6-31g(d).inp

000100818.b3lyp_6-31g(d).qchem.inp (generated)

000100818.b3lyp_6-31g(d).gjf (generated)

000100818.b3lyp_6-31g(d).firefly.inp (generated)

000100818.b3lyp_6-31g(d).smash.inp (generated)

000100818.b3lyp_6-31g(d).nwchem.inp (generated) 000100818.b3lyp_6-31g(d).log.xz 000100818.td-b3lyp_6-31g+(d).inp 000100818.td-b3lyp_6-31g+(d).log.xz

000100818.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100818.td-b3lyp_6-31+g(d).gjf (generated)

000100818.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100818.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100818.mol 000100818.PUBCHEM 000100818.mol (via Jmol)
000100821.b3lyp_6-31g(d).inp

000100821.b3lyp_6-31g(d).qchem.inp (generated)

000100821.b3lyp_6-31g(d).gjf (generated)

000100821.b3lyp_6-31g(d).firefly.inp (generated)

000100821.b3lyp_6-31g(d).smash.inp (generated)

000100821.b3lyp_6-31g(d).nwchem.inp (generated) 000100821.b3lyp_6-31g(d).log.xz 000100821.td-b3lyp_6-31g+(d).inp 000100821.td-b3lyp_6-31g+(d).log.xz

000100821.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100821.td-b3lyp_6-31+g(d).gjf (generated)

000100821.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100821.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100821.mol 000100821.PUBCHEM 000100821.mol (via Jmol)
000100822.b3lyp_6-31g(d).inp

000100822.b3lyp_6-31g(d).qchem.inp (generated)

000100822.b3lyp_6-31g(d).gjf (generated)

000100822.b3lyp_6-31g(d).firefly.inp (generated)

000100822.b3lyp_6-31g(d).smash.inp (generated)

000100822.b3lyp_6-31g(d).nwchem.inp (generated) 000100822.b3lyp_6-31g(d).log.xz 000100822.td-b3lyp_6-31g+(d).inp 000100822.td-b3lyp_6-31g+(d).log.xz

000100822.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100822.td-b3lyp_6-31+g(d).gjf (generated)

000100822.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100822.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100822.mol 000100822.PUBCHEM 000100822.mol (via Jmol)
000100823.b3lyp_6-31g(d).inp

000100823.b3lyp_6-31g(d).qchem.inp (generated)

000100823.b3lyp_6-31g(d).gjf (generated)

000100823.b3lyp_6-31g(d).firefly.inp (generated)

000100823.b3lyp_6-31g(d).smash.inp (generated)

000100823.b3lyp_6-31g(d).nwchem.inp (generated) 000100823.b3lyp_6-31g(d).log.xz 000100823.td-b3lyp_6-31g+(d).inp 000100823.td-b3lyp_6-31g+(d).log.xz

000100823.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100823.td-b3lyp_6-31+g(d).gjf (generated)

000100823.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100823.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100823.mol 000100823.PUBCHEM 000100823.mol (via Jmol)
000100826.b3lyp_6-31g(d).inp

000100826.b3lyp_6-31g(d).qchem.inp (generated)

000100826.b3lyp_6-31g(d).gjf (generated)

000100826.b3lyp_6-31g(d).firefly.inp (generated)

000100826.b3lyp_6-31g(d).smash.inp (generated)

000100826.b3lyp_6-31g(d).nwchem.inp (generated) 000100826.b3lyp_6-31g(d).log.xz 000100826.td-b3lyp_6-31g+(d).inp 000100826.td-b3lyp_6-31g+(d).log.xz

000100826.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100826.td-b3lyp_6-31+g(d).gjf (generated)

000100826.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100826.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100826.mol 000100826.PUBCHEM 000100826.mol (via Jmol)
000100827.b3lyp_6-31g(d).inp

000100827.b3lyp_6-31g(d).qchem.inp (generated)

000100827.b3lyp_6-31g(d).gjf (generated)

000100827.b3lyp_6-31g(d).firefly.inp (generated)

000100827.b3lyp_6-31g(d).smash.inp (generated)

000100827.b3lyp_6-31g(d).nwchem.inp (generated) 000100827.b3lyp_6-31g(d).log.xz 000100827.td-b3lyp_6-31g+(d).inp 000100827.td-b3lyp_6-31g+(d).log.xz

000100827.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100827.td-b3lyp_6-31+g(d).gjf (generated)

000100827.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100827.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100827.mol 000100827.PUBCHEM 000100827.mol (via Jmol)
000100832.b3lyp_6-31g(d).inp

000100832.b3lyp_6-31g(d).qchem.inp (generated)

000100832.b3lyp_6-31g(d).gjf (generated)

000100832.b3lyp_6-31g(d).firefly.inp (generated)

000100832.b3lyp_6-31g(d).smash.inp (generated)

000100832.b3lyp_6-31g(d).nwchem.inp (generated) 000100832.b3lyp_6-31g(d).log.xz 000100832.td-b3lyp_6-31g+(d).inp 000100832.td-b3lyp_6-31g+(d).log.xz

000100832.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100832.td-b3lyp_6-31+g(d).gjf (generated)

000100832.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100832.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100832.mol 000100832.PUBCHEM 000100832.mol (via Jmol)
000100834.b3lyp_6-31g(d).inp

000100834.b3lyp_6-31g(d).qchem.inp (generated)

000100834.b3lyp_6-31g(d).gjf (generated)

000100834.b3lyp_6-31g(d).firefly.inp (generated)

000100834.b3lyp_6-31g(d).smash.inp (generated)

000100834.b3lyp_6-31g(d).nwchem.inp (generated) 000100834.b3lyp_6-31g(d).log.xz 000100834.td-b3lyp_6-31g+(d).inp 000100834.td-b3lyp_6-31g+(d).log.xz

000100834.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100834.td-b3lyp_6-31+g(d).gjf (generated)

000100834.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100834.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100834.mol 000100834.PUBCHEM 000100834.mol (via Jmol)
000100835.b3lyp_6-31g(d).inp

000100835.b3lyp_6-31g(d).qchem.inp (generated)

000100835.b3lyp_6-31g(d).gjf (generated)

000100835.b3lyp_6-31g(d).firefly.inp (generated)

000100835.b3lyp_6-31g(d).smash.inp (generated)

000100835.b3lyp_6-31g(d).nwchem.inp (generated) 000100835.b3lyp_6-31g(d).log.xz 000100835.td-b3lyp_6-31g+(d).inp 000100835.td-b3lyp_6-31g+(d).log.xz

000100835.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100835.td-b3lyp_6-31+g(d).gjf (generated)

000100835.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100835.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100835.mol 000100835.PUBCHEM 000100835.mol (via Jmol)
000100836.b3lyp_6-31g(d).inp

000100836.b3lyp_6-31g(d).qchem.inp (generated)

000100836.b3lyp_6-31g(d).gjf (generated)

000100836.b3lyp_6-31g(d).firefly.inp (generated)

000100836.b3lyp_6-31g(d).smash.inp (generated)

000100836.b3lyp_6-31g(d).nwchem.inp (generated) 000100836.b3lyp_6-31g(d).log.xz 000100836.td-b3lyp_6-31g+(d).inp 000100836.td-b3lyp_6-31g+(d).log.xz

000100836.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100836.td-b3lyp_6-31+g(d).gjf (generated)

000100836.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100836.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100836.mol 000100836.PUBCHEM 000100836.mol (via Jmol)
000100841.b3lyp_6-31g(d).inp

000100841.b3lyp_6-31g(d).qchem.inp (generated)

000100841.b3lyp_6-31g(d).gjf (generated)

000100841.b3lyp_6-31g(d).firefly.inp (generated)

000100841.b3lyp_6-31g(d).smash.inp (generated)

000100841.b3lyp_6-31g(d).nwchem.inp (generated) 000100841.b3lyp_6-31g(d).log.xz 000100841.td-b3lyp_6-31g+(d).inp 000100841.td-b3lyp_6-31g+(d).log.xz

000100841.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100841.td-b3lyp_6-31+g(d).gjf (generated)

000100841.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100841.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100841.mol 000100841.PUBCHEM 000100841.mol (via Jmol)
000100845.b3lyp_6-31g(d).inp

000100845.b3lyp_6-31g(d).qchem.inp (generated)

000100845.b3lyp_6-31g(d).gjf (generated)

000100845.b3lyp_6-31g(d).firefly.inp (generated)

000100845.b3lyp_6-31g(d).smash.inp (generated)

000100845.b3lyp_6-31g(d).nwchem.inp (generated) 000100845.b3lyp_6-31g(d).log.xz 000100845.td-b3lyp_6-31g+(d).inp 000100845.td-b3lyp_6-31g+(d).log.xz

000100845.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100845.td-b3lyp_6-31+g(d).gjf (generated)

000100845.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100845.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100845.mol 000100845.PUBCHEM 000100845.mol (via Jmol)
000100846.b3lyp_6-31g(d).inp

000100846.b3lyp_6-31g(d).qchem.inp (generated)

000100846.b3lyp_6-31g(d).gjf (generated)

000100846.b3lyp_6-31g(d).firefly.inp (generated)

000100846.b3lyp_6-31g(d).smash.inp (generated)

000100846.b3lyp_6-31g(d).nwchem.inp (generated) 000100846.b3lyp_6-31g(d).log.xz 000100846.td-b3lyp_6-31g+(d).inp 000100846.td-b3lyp_6-31g+(d).log.xz

000100846.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100846.td-b3lyp_6-31+g(d).gjf (generated)

000100846.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100846.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100846.mol 000100846.PUBCHEM 000100846.mol (via Jmol)
000100851.b3lyp_6-31g(d).inp

000100851.b3lyp_6-31g(d).qchem.inp (generated)

000100851.b3lyp_6-31g(d).gjf (generated)

000100851.b3lyp_6-31g(d).firefly.inp (generated)

000100851.b3lyp_6-31g(d).smash.inp (generated)

000100851.b3lyp_6-31g(d).nwchem.inp (generated) 000100851.b3lyp_6-31g(d).log.xz 000100851.td-b3lyp_6-31g+(d).inp 000100851.td-b3lyp_6-31g+(d).log.xz

000100851.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100851.td-b3lyp_6-31+g(d).gjf (generated)

000100851.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100851.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100851.mol 000100851.PUBCHEM 000100851.mol (via Jmol)
000100852.b3lyp_6-31g(d).inp

000100852.b3lyp_6-31g(d).qchem.inp (generated)

000100852.b3lyp_6-31g(d).gjf (generated)

000100852.b3lyp_6-31g(d).firefly.inp (generated)

000100852.b3lyp_6-31g(d).smash.inp (generated)

000100852.b3lyp_6-31g(d).nwchem.inp (generated) 000100852.b3lyp_6-31g(d).log.xz 000100852.td-b3lyp_6-31g+(d).inp 000100852.td-b3lyp_6-31g+(d).log.xz

000100852.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100852.td-b3lyp_6-31+g(d).gjf (generated)

000100852.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100852.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100852.mol 000100852.PUBCHEM 000100852.mol (via Jmol)
000100861.b3lyp_6-31g(d).inp

000100861.b3lyp_6-31g(d).qchem.inp (generated)

000100861.b3lyp_6-31g(d).gjf (generated)

000100861.b3lyp_6-31g(d).firefly.inp (generated)

000100861.b3lyp_6-31g(d).smash.inp (generated)

000100861.b3lyp_6-31g(d).nwchem.inp (generated) 000100861.b3lyp_6-31g(d).log.xz 000100861.td-b3lyp_6-31g+(d).inp 000100861.td-b3lyp_6-31g+(d).log.xz

000100861.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100861.td-b3lyp_6-31+g(d).gjf (generated)

000100861.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100861.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100861.mol 000100861.PUBCHEM 000100861.mol (via Jmol)
000100864.b3lyp_6-31g(d).inp

000100864.b3lyp_6-31g(d).qchem.inp (generated)

000100864.b3lyp_6-31g(d).gjf (generated)

000100864.b3lyp_6-31g(d).firefly.inp (generated)

000100864.b3lyp_6-31g(d).smash.inp (generated)

000100864.b3lyp_6-31g(d).nwchem.inp (generated) 000100864.b3lyp_6-31g(d).log.xz 000100864.td-b3lyp_6-31g+(d).inp 000100864.td-b3lyp_6-31g+(d).log.xz

000100864.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100864.td-b3lyp_6-31+g(d).gjf (generated)

000100864.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100864.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100864.mol 000100864.PUBCHEM 000100864.mol (via Jmol)
000100867.b3lyp_6-31g(d).inp

000100867.b3lyp_6-31g(d).qchem.inp (generated)

000100867.b3lyp_6-31g(d).gjf (generated)

000100867.b3lyp_6-31g(d).firefly.inp (generated)

000100867.b3lyp_6-31g(d).smash.inp (generated)

000100867.b3lyp_6-31g(d).nwchem.inp (generated) 000100867.b3lyp_6-31g(d).log.xz 000100867.td-b3lyp_6-31g+(d).inp 000100867.td-b3lyp_6-31g+(d).log.xz

000100867.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100867.td-b3lyp_6-31+g(d).gjf (generated)

000100867.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100867.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100867.mol 000100867.PUBCHEM 000100867.mol (via Jmol)
000100868.b3lyp_6-31g(d).inp

000100868.b3lyp_6-31g(d).qchem.inp (generated)

000100868.b3lyp_6-31g(d).gjf (generated)

000100868.b3lyp_6-31g(d).firefly.inp (generated)

000100868.b3lyp_6-31g(d).smash.inp (generated)

000100868.b3lyp_6-31g(d).nwchem.inp (generated) 000100868.b3lyp_6-31g(d).log.xz 000100868.td-b3lyp_6-31g+(d).inp 000100868.td-b3lyp_6-31g+(d).log.xz

000100868.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100868.td-b3lyp_6-31+g(d).gjf (generated)

000100868.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100868.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100868.mol 000100868.PUBCHEM 000100868.mol (via Jmol)
000100871.b3lyp_6-31g(d).inp

000100871.b3lyp_6-31g(d).qchem.inp (generated)

000100871.b3lyp_6-31g(d).gjf (generated)

000100871.b3lyp_6-31g(d).firefly.inp (generated)

000100871.b3lyp_6-31g(d).smash.inp (generated)

000100871.b3lyp_6-31g(d).nwchem.inp (generated) 000100871.b3lyp_6-31g(d).log.xz 000100871.td-b3lyp_6-31g+(d).inp 000100871.td-b3lyp_6-31g+(d).log.xz

000100871.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100871.td-b3lyp_6-31+g(d).gjf (generated)

000100871.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100871.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100871.mol 000100871.PUBCHEM 000100871.mol (via Jmol)
000100873.b3lyp_6-31g(d).inp

000100873.b3lyp_6-31g(d).qchem.inp (generated)

000100873.b3lyp_6-31g(d).gjf (generated)

000100873.b3lyp_6-31g(d).firefly.inp (generated)

000100873.b3lyp_6-31g(d).smash.inp (generated)

000100873.b3lyp_6-31g(d).nwchem.inp (generated) 000100873.b3lyp_6-31g(d).log.xz 000100873.td-b3lyp_6-31g+(d).inp 000100873.td-b3lyp_6-31g+(d).log.xz

000100873.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100873.td-b3lyp_6-31+g(d).gjf (generated)

000100873.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100873.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100873.mol 000100873.PUBCHEM 000100873.mol (via Jmol)
000100874.b3lyp_6-31g(d).inp

000100874.b3lyp_6-31g(d).qchem.inp (generated)

000100874.b3lyp_6-31g(d).gjf (generated)

000100874.b3lyp_6-31g(d).firefly.inp (generated)

000100874.b3lyp_6-31g(d).smash.inp (generated)

000100874.b3lyp_6-31g(d).nwchem.inp (generated) 000100874.b3lyp_6-31g(d).log.xz 000100874.td-b3lyp_6-31g+(d).inp 000100874.td-b3lyp_6-31g+(d).log.xz

000100874.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100874.td-b3lyp_6-31+g(d).gjf (generated)

000100874.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100874.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100874.mol 000100874.PUBCHEM 000100874.mol (via Jmol)
000100877.b3lyp_6-31g(d).inp

000100877.b3lyp_6-31g(d).qchem.inp (generated)

000100877.b3lyp_6-31g(d).gjf (generated)

000100877.b3lyp_6-31g(d).firefly.inp (generated)

000100877.b3lyp_6-31g(d).smash.inp (generated)

000100877.b3lyp_6-31g(d).nwchem.inp (generated) 000100877.b3lyp_6-31g(d).log.xz 000100877.td-b3lyp_6-31g+(d).inp 000100877.td-b3lyp_6-31g+(d).log.xz

000100877.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100877.td-b3lyp_6-31+g(d).gjf (generated)

000100877.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100877.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100877.mol 000100877.PUBCHEM 000100877.mol (via Jmol)
000100881.b3lyp_6-31g(d).inp

000100881.b3lyp_6-31g(d).qchem.inp (generated)

000100881.b3lyp_6-31g(d).gjf (generated)

000100881.b3lyp_6-31g(d).firefly.inp (generated)

000100881.b3lyp_6-31g(d).smash.inp (generated)

000100881.b3lyp_6-31g(d).nwchem.inp (generated) 000100881.b3lyp_6-31g(d).log.xz 000100881.td-b3lyp_6-31g+(d).inp 000100881.td-b3lyp_6-31g+(d).log.xz

000100881.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100881.td-b3lyp_6-31+g(d).gjf (generated)

000100881.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100881.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100881.mol 000100881.PUBCHEM 000100881.mol (via Jmol)
000100885.b3lyp_6-31g(d).inp

000100885.b3lyp_6-31g(d).qchem.inp (generated)

000100885.b3lyp_6-31g(d).gjf (generated)

000100885.b3lyp_6-31g(d).firefly.inp (generated)

000100885.b3lyp_6-31g(d).smash.inp (generated)

000100885.b3lyp_6-31g(d).nwchem.inp (generated) 000100885.b3lyp_6-31g(d).log.xz 000100885.td-b3lyp_6-31g+(d).inp 000100885.td-b3lyp_6-31g+(d).log.xz

000100885.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100885.td-b3lyp_6-31+g(d).gjf (generated)

000100885.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100885.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100885.mol 000100885.PUBCHEM 000100885.mol (via Jmol)
000100886.b3lyp_6-31g(d).inp

000100886.b3lyp_6-31g(d).qchem.inp (generated)

000100886.b3lyp_6-31g(d).gjf (generated)

000100886.b3lyp_6-31g(d).firefly.inp (generated)

000100886.b3lyp_6-31g(d).smash.inp (generated)

000100886.b3lyp_6-31g(d).nwchem.inp (generated) 000100886.b3lyp_6-31g(d).log.xz 000100886.td-b3lyp_6-31g+(d).inp 000100886.td-b3lyp_6-31g+(d).log.xz

000100886.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100886.td-b3lyp_6-31+g(d).gjf (generated)

000100886.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100886.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100886.mol 000100886.PUBCHEM 000100886.mol (via Jmol)
000100890.b3lyp_6-31g(d).inp

000100890.b3lyp_6-31g(d).qchem.inp (generated)

000100890.b3lyp_6-31g(d).gjf (generated)

000100890.b3lyp_6-31g(d).firefly.inp (generated)

000100890.b3lyp_6-31g(d).smash.inp (generated)

000100890.b3lyp_6-31g(d).nwchem.inp (generated) 000100890.b3lyp_6-31g(d).log.xz 000100890.td-b3lyp_6-31g+(d).inp 000100890.td-b3lyp_6-31g+(d).log.xz

000100890.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100890.td-b3lyp_6-31+g(d).gjf (generated)

000100890.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100890.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100890.mol 000100890.PUBCHEM 000100890.mol (via Jmol)
000100891.b3lyp_6-31g(d).inp

000100891.b3lyp_6-31g(d).qchem.inp (generated)

000100891.b3lyp_6-31g(d).gjf (generated)

000100891.b3lyp_6-31g(d).firefly.inp (generated)

000100891.b3lyp_6-31g(d).smash.inp (generated)

000100891.b3lyp_6-31g(d).nwchem.inp (generated) 000100891.b3lyp_6-31g(d).log.xz 000100891.td-b3lyp_6-31g+(d).inp 000100891.td-b3lyp_6-31g+(d).log.xz

000100891.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100891.td-b3lyp_6-31+g(d).gjf (generated)

000100891.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100891.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100891.mol 000100891.PUBCHEM 000100891.mol (via Jmol)
000100892.b3lyp_6-31g(d).inp

000100892.b3lyp_6-31g(d).qchem.inp (generated)

000100892.b3lyp_6-31g(d).gjf (generated)

000100892.b3lyp_6-31g(d).firefly.inp (generated)

000100892.b3lyp_6-31g(d).smash.inp (generated)

000100892.b3lyp_6-31g(d).nwchem.inp (generated) 000100892.b3lyp_6-31g(d).log.xz 000100892.td-b3lyp_6-31g+(d).inp 000100892.td-b3lyp_6-31g+(d).log.xz

000100892.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100892.td-b3lyp_6-31+g(d).gjf (generated)

000100892.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100892.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100892.mol 000100892.PUBCHEM 000100892.mol (via Jmol)
000100900.b3lyp_6-31g(d).inp

000100900.b3lyp_6-31g(d).qchem.inp (generated)

000100900.b3lyp_6-31g(d).gjf (generated)

000100900.b3lyp_6-31g(d).firefly.inp (generated)

000100900.b3lyp_6-31g(d).smash.inp (generated)

000100900.b3lyp_6-31g(d).nwchem.inp (generated) 000100900.b3lyp_6-31g(d).log.xz 000100900.td-b3lyp_6-31g+(d).inp 000100900.td-b3lyp_6-31g+(d).log.xz

000100900.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100900.td-b3lyp_6-31+g(d).gjf (generated)

000100900.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100900.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100900.mol 000100900.PUBCHEM 000100900.mol (via Jmol)
000100908.b3lyp_6-31g(d).inp

000100908.b3lyp_6-31g(d).qchem.inp (generated)

000100908.b3lyp_6-31g(d).gjf (generated)

000100908.b3lyp_6-31g(d).firefly.inp (generated)

000100908.b3lyp_6-31g(d).smash.inp (generated)

000100908.b3lyp_6-31g(d).nwchem.inp (generated) 000100908.b3lyp_6-31g(d).log.xz 000100908.td-b3lyp_6-31g+(d).inp 000100908.td-b3lyp_6-31g+(d).log.xz

000100908.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100908.td-b3lyp_6-31+g(d).gjf (generated)

000100908.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100908.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100908.mol 000100908.PUBCHEM 000100908.mol (via Jmol)
000100910.b3lyp_6-31g(d).inp

000100910.b3lyp_6-31g(d).qchem.inp (generated)

000100910.b3lyp_6-31g(d).gjf (generated)

000100910.b3lyp_6-31g(d).firefly.inp (generated)

000100910.b3lyp_6-31g(d).smash.inp (generated)

000100910.b3lyp_6-31g(d).nwchem.inp (generated) 000100910.b3lyp_6-31g(d).log.xz 000100910.td-b3lyp_6-31g+(d).inp 000100910.td-b3lyp_6-31g+(d).log.xz

000100910.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100910.td-b3lyp_6-31+g(d).gjf (generated)

000100910.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100910.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100910.mol 000100910.PUBCHEM 000100910.mol (via Jmol)
000100919.b3lyp_6-31g(d).inp

000100919.b3lyp_6-31g(d).qchem.inp (generated)

000100919.b3lyp_6-31g(d).gjf (generated)

000100919.b3lyp_6-31g(d).firefly.inp (generated)

000100919.b3lyp_6-31g(d).smash.inp (generated)

000100919.b3lyp_6-31g(d).nwchem.inp (generated) 000100919.b3lyp_6-31g(d).log.xz 000100919.td-b3lyp_6-31g+(d).inp 000100919.td-b3lyp_6-31g+(d).log.xz

000100919.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100919.td-b3lyp_6-31+g(d).gjf (generated)

000100919.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100919.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100919.mol 000100919.PUBCHEM 000100919.mol (via Jmol)
000100924.b3lyp_6-31g(d).inp

000100924.b3lyp_6-31g(d).qchem.inp (generated)

000100924.b3lyp_6-31g(d).gjf (generated)

000100924.b3lyp_6-31g(d).firefly.inp (generated)

000100924.b3lyp_6-31g(d).smash.inp (generated)

000100924.b3lyp_6-31g(d).nwchem.inp (generated) 000100924.b3lyp_6-31g(d).log.xz 000100924.td-b3lyp_6-31g+(d).inp 000100924.td-b3lyp_6-31g+(d).log.xz

000100924.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100924.td-b3lyp_6-31+g(d).gjf (generated)

000100924.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100924.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100924.mol 000100924.PUBCHEM 000100924.mol (via Jmol)
000100926.b3lyp_6-31g(d).inp

000100926.b3lyp_6-31g(d).qchem.inp (generated)

000100926.b3lyp_6-31g(d).gjf (generated)

000100926.b3lyp_6-31g(d).firefly.inp (generated)

000100926.b3lyp_6-31g(d).smash.inp (generated)

000100926.b3lyp_6-31g(d).nwchem.inp (generated) 000100926.b3lyp_6-31g(d).log.xz 000100926.td-b3lyp_6-31g+(d).inp 000100926.td-b3lyp_6-31g+(d).log.xz

000100926.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100926.td-b3lyp_6-31+g(d).gjf (generated)

000100926.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100926.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100926.mol 000100926.PUBCHEM 000100926.mol (via Jmol)
000100927.b3lyp_6-31g(d).inp

000100927.b3lyp_6-31g(d).qchem.inp (generated)

000100927.b3lyp_6-31g(d).gjf (generated)

000100927.b3lyp_6-31g(d).firefly.inp (generated)

000100927.b3lyp_6-31g(d).smash.inp (generated)

000100927.b3lyp_6-31g(d).nwchem.inp (generated) 000100927.b3lyp_6-31g(d).log.xz 000100927.td-b3lyp_6-31g+(d).inp 000100927.td-b3lyp_6-31g+(d).log.xz

000100927.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100927.td-b3lyp_6-31+g(d).gjf (generated)

000100927.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100927.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100927.mol 000100927.PUBCHEM 000100927.mol (via Jmol)
000100928.b3lyp_6-31g(d).inp

000100928.b3lyp_6-31g(d).qchem.inp (generated)

000100928.b3lyp_6-31g(d).gjf (generated)

000100928.b3lyp_6-31g(d).firefly.inp (generated)

000100928.b3lyp_6-31g(d).smash.inp (generated)

000100928.b3lyp_6-31g(d).nwchem.inp (generated) 000100928.b3lyp_6-31g(d).log.xz 000100928.td-b3lyp_6-31g+(d).inp 000100928.td-b3lyp_6-31g+(d).log.xz

000100928.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100928.td-b3lyp_6-31+g(d).gjf (generated)

000100928.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100928.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100928.mol 000100928.PUBCHEM 000100928.mol (via Jmol)
000100930.b3lyp_6-31g(d).inp

000100930.b3lyp_6-31g(d).qchem.inp (generated)

000100930.b3lyp_6-31g(d).gjf (generated)

000100930.b3lyp_6-31g(d).firefly.inp (generated)

000100930.b3lyp_6-31g(d).smash.inp (generated)

000100930.b3lyp_6-31g(d).nwchem.inp (generated) 000100930.b3lyp_6-31g(d).log.xz 000100930.td-b3lyp_6-31g+(d).inp 000100930.td-b3lyp_6-31g+(d).log.xz

000100930.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100930.td-b3lyp_6-31+g(d).gjf (generated)

000100930.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100930.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100930.mol 000100930.PUBCHEM 000100930.mol (via Jmol)
000100931.b3lyp_6-31g(d).inp

000100931.b3lyp_6-31g(d).qchem.inp (generated)

000100931.b3lyp_6-31g(d).gjf (generated)

000100931.b3lyp_6-31g(d).firefly.inp (generated)

000100931.b3lyp_6-31g(d).smash.inp (generated)

000100931.b3lyp_6-31g(d).nwchem.inp (generated) 000100931.b3lyp_6-31g(d).log.xz 000100931.td-b3lyp_6-31g+(d).inp 000100931.td-b3lyp_6-31g+(d).log.xz

000100931.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100931.td-b3lyp_6-31+g(d).gjf (generated)

000100931.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100931.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100931.mol 000100931.PUBCHEM 000100931.mol (via Jmol)
000100936.b3lyp_6-31g(d).inp

000100936.b3lyp_6-31g(d).qchem.inp (generated)

000100936.b3lyp_6-31g(d).gjf (generated)

000100936.b3lyp_6-31g(d).firefly.inp (generated)

000100936.b3lyp_6-31g(d).smash.inp (generated)

000100936.b3lyp_6-31g(d).nwchem.inp (generated) 000100936.b3lyp_6-31g(d).log.xz 000100936.td-b3lyp_6-31g+(d).inp 000100936.td-b3lyp_6-31g+(d).log.xz

000100936.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100936.td-b3lyp_6-31+g(d).gjf (generated)

000100936.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100936.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100936.mol 000100936.PUBCHEM 000100936.mol (via Jmol)
000100937.b3lyp_6-31g(d).inp

000100937.b3lyp_6-31g(d).qchem.inp (generated)

000100937.b3lyp_6-31g(d).gjf (generated)

000100937.b3lyp_6-31g(d).firefly.inp (generated)

000100937.b3lyp_6-31g(d).smash.inp (generated)

000100937.b3lyp_6-31g(d).nwchem.inp (generated) 000100937.b3lyp_6-31g(d).log.xz 000100937.td-b3lyp_6-31g+(d).inp 000100937.td-b3lyp_6-31g+(d).log.xz

000100937.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100937.td-b3lyp_6-31+g(d).gjf (generated)

000100937.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100937.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100937.mol 000100937.PUBCHEM 000100937.mol (via Jmol)
000100939.b3lyp_6-31g(d).inp

000100939.b3lyp_6-31g(d).qchem.inp (generated)

000100939.b3lyp_6-31g(d).gjf (generated)

000100939.b3lyp_6-31g(d).firefly.inp (generated)

000100939.b3lyp_6-31g(d).smash.inp (generated)

000100939.b3lyp_6-31g(d).nwchem.inp (generated) 000100939.b3lyp_6-31g(d).log.xz 000100939.td-b3lyp_6-31g+(d).inp 000100939.td-b3lyp_6-31g+(d).log.xz

000100939.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100939.td-b3lyp_6-31+g(d).gjf (generated)

000100939.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100939.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100939.mol 000100939.PUBCHEM 000100939.mol (via Jmol)
000100940.b3lyp_6-31g(d).inp

000100940.b3lyp_6-31g(d).qchem.inp (generated)

000100940.b3lyp_6-31g(d).gjf (generated)

000100940.b3lyp_6-31g(d).firefly.inp (generated)

000100940.b3lyp_6-31g(d).smash.inp (generated)

000100940.b3lyp_6-31g(d).nwchem.inp (generated) 000100940.b3lyp_6-31g(d).log.xz 000100940.td-b3lyp_6-31g+(d).inp 000100940.td-b3lyp_6-31g+(d).log.xz

000100940.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100940.td-b3lyp_6-31+g(d).gjf (generated)

000100940.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100940.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100940.mol 000100940.PUBCHEM 000100940.mol (via Jmol)
000100942.b3lyp_6-31g(d).inp

000100942.b3lyp_6-31g(d).qchem.inp (generated)

000100942.b3lyp_6-31g(d).gjf (generated)

000100942.b3lyp_6-31g(d).firefly.inp (generated)

000100942.b3lyp_6-31g(d).smash.inp (generated)

000100942.b3lyp_6-31g(d).nwchem.inp (generated) 000100942.b3lyp_6-31g(d).log.xz 000100942.td-b3lyp_6-31g+(d).inp 000100942.td-b3lyp_6-31g+(d).log.xz

000100942.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100942.td-b3lyp_6-31+g(d).gjf (generated)

000100942.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100942.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100942.mol 000100942.PUBCHEM 000100942.mol (via Jmol)
000100943.b3lyp_6-31g(d).inp

000100943.b3lyp_6-31g(d).qchem.inp (generated)

000100943.b3lyp_6-31g(d).gjf (generated)

000100943.b3lyp_6-31g(d).firefly.inp (generated)

000100943.b3lyp_6-31g(d).smash.inp (generated)

000100943.b3lyp_6-31g(d).nwchem.inp (generated) 000100943.b3lyp_6-31g(d).log.xz 000100943.td-b3lyp_6-31g+(d).inp 000100943.td-b3lyp_6-31g+(d).log.xz

000100943.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100943.td-b3lyp_6-31+g(d).gjf (generated)

000100943.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100943.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100943.mol 000100943.PUBCHEM 000100943.mol (via Jmol)
000100944.b3lyp_6-31g(d).inp

000100944.b3lyp_6-31g(d).qchem.inp (generated)

000100944.b3lyp_6-31g(d).gjf (generated)

000100944.b3lyp_6-31g(d).firefly.inp (generated)

000100944.b3lyp_6-31g(d).smash.inp (generated)

000100944.b3lyp_6-31g(d).nwchem.inp (generated) 000100944.b3lyp_6-31g(d).log.xz 000100944.td-b3lyp_6-31g+(d).inp 000100944.td-b3lyp_6-31g+(d).log.xz

000100944.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100944.td-b3lyp_6-31+g(d).gjf (generated)

000100944.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100944.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100944.mol 000100944.PUBCHEM 000100944.mol (via Jmol)
000100949.b3lyp_6-31g(d).inp

000100949.b3lyp_6-31g(d).qchem.inp (generated)

000100949.b3lyp_6-31g(d).gjf (generated)

000100949.b3lyp_6-31g(d).firefly.inp (generated)

000100949.b3lyp_6-31g(d).smash.inp (generated)

000100949.b3lyp_6-31g(d).nwchem.inp (generated) 000100949.b3lyp_6-31g(d).log.xz 000100949.td-b3lyp_6-31g+(d).inp 000100949.td-b3lyp_6-31g+(d).log.xz

000100949.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100949.td-b3lyp_6-31+g(d).gjf (generated)

000100949.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100949.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100949.mol 000100949.PUBCHEM 000100949.mol (via Jmol)
000100950.b3lyp_6-31g(d).inp

000100950.b3lyp_6-31g(d).qchem.inp (generated)

000100950.b3lyp_6-31g(d).gjf (generated)

000100950.b3lyp_6-31g(d).firefly.inp (generated)

000100950.b3lyp_6-31g(d).smash.inp (generated)

000100950.b3lyp_6-31g(d).nwchem.inp (generated) 000100950.b3lyp_6-31g(d).log.xz 000100950.td-b3lyp_6-31g+(d).inp 000100950.td-b3lyp_6-31g+(d).log.xz

000100950.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100950.td-b3lyp_6-31+g(d).gjf (generated)

000100950.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100950.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100950.mol 000100950.PUBCHEM 000100950.mol (via Jmol)
000100954.b3lyp_6-31g(d).inp

000100954.b3lyp_6-31g(d).qchem.inp (generated)

000100954.b3lyp_6-31g(d).gjf (generated)

000100954.b3lyp_6-31g(d).firefly.inp (generated)

000100954.b3lyp_6-31g(d).smash.inp (generated)

000100954.b3lyp_6-31g(d).nwchem.inp (generated) 000100954.b3lyp_6-31g(d).log.xz 000100954.td-b3lyp_6-31g+(d).inp 000100954.td-b3lyp_6-31g+(d).log.xz

000100954.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100954.td-b3lyp_6-31+g(d).gjf (generated)

000100954.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100954.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100954.mol 000100954.PUBCHEM 000100954.mol (via Jmol)
000100955.b3lyp_6-31g(d).inp

000100955.b3lyp_6-31g(d).qchem.inp (generated)

000100955.b3lyp_6-31g(d).gjf (generated)

000100955.b3lyp_6-31g(d).firefly.inp (generated)

000100955.b3lyp_6-31g(d).smash.inp (generated)

000100955.b3lyp_6-31g(d).nwchem.inp (generated) 000100955.b3lyp_6-31g(d).log.xz 000100955.td-b3lyp_6-31g+(d).inp 000100955.td-b3lyp_6-31g+(d).log.xz

000100955.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100955.td-b3lyp_6-31+g(d).gjf (generated)

000100955.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100955.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100955.mol 000100955.PUBCHEM 000100955.mol (via Jmol)
000100956.b3lyp_6-31g(d).inp

000100956.b3lyp_6-31g(d).qchem.inp (generated)

000100956.b3lyp_6-31g(d).gjf (generated)

000100956.b3lyp_6-31g(d).firefly.inp (generated)

000100956.b3lyp_6-31g(d).smash.inp (generated)

000100956.b3lyp_6-31g(d).nwchem.inp (generated) 000100956.b3lyp_6-31g(d).log.xz 000100956.td-b3lyp_6-31g+(d).inp 000100956.td-b3lyp_6-31g+(d).log.xz

000100956.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100956.td-b3lyp_6-31+g(d).gjf (generated)

000100956.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100956.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100956.mol 000100956.PUBCHEM 000100956.mol (via Jmol)
000100962.b3lyp_6-31g(d).inp

000100962.b3lyp_6-31g(d).qchem.inp (generated)

000100962.b3lyp_6-31g(d).gjf (generated)

000100962.b3lyp_6-31g(d).firefly.inp (generated)

000100962.b3lyp_6-31g(d).smash.inp (generated)

000100962.b3lyp_6-31g(d).nwchem.inp (generated) 000100962.b3lyp_6-31g(d).log.xz 000100962.td-b3lyp_6-31g+(d).inp 000100962.td-b3lyp_6-31g+(d).log.xz

000100962.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100962.td-b3lyp_6-31+g(d).gjf (generated)

000100962.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100962.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100962.mol 000100962.PUBCHEM 000100962.mol (via Jmol)
000100963.b3lyp_6-31g(d).inp

000100963.b3lyp_6-31g(d).qchem.inp (generated)

000100963.b3lyp_6-31g(d).gjf (generated)

000100963.b3lyp_6-31g(d).firefly.inp (generated)

000100963.b3lyp_6-31g(d).smash.inp (generated)

000100963.b3lyp_6-31g(d).nwchem.inp (generated) 000100963.b3lyp_6-31g(d).log.xz 000100963.td-b3lyp_6-31g+(d).inp 000100963.td-b3lyp_6-31g+(d).log.xz

000100963.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100963.td-b3lyp_6-31+g(d).gjf (generated)

000100963.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100963.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100963.mol 000100963.PUBCHEM 000100963.mol (via Jmol)
000100968.b3lyp_6-31g(d).inp

000100968.b3lyp_6-31g(d).qchem.inp (generated)

000100968.b3lyp_6-31g(d).gjf (generated)

000100968.b3lyp_6-31g(d).firefly.inp (generated)

000100968.b3lyp_6-31g(d).smash.inp (generated)

000100968.b3lyp_6-31g(d).nwchem.inp (generated) 000100968.b3lyp_6-31g(d).log.xz 000100968.td-b3lyp_6-31g+(d).inp 000100968.td-b3lyp_6-31g+(d).log.xz

000100968.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100968.td-b3lyp_6-31+g(d).gjf (generated)

000100968.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100968.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100968.mol 000100968.PUBCHEM 000100968.mol (via Jmol)
000100969.b3lyp_6-31g(d).inp

000100969.b3lyp_6-31g(d).qchem.inp (generated)

000100969.b3lyp_6-31g(d).gjf (generated)

000100969.b3lyp_6-31g(d).firefly.inp (generated)

000100969.b3lyp_6-31g(d).smash.inp (generated)

000100969.b3lyp_6-31g(d).nwchem.inp (generated) 000100969.b3lyp_6-31g(d).log.xz 000100969.td-b3lyp_6-31g+(d).inp 000100969.td-b3lyp_6-31g+(d).log.xz

000100969.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100969.td-b3lyp_6-31+g(d).gjf (generated)

000100969.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100969.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100969.mol 000100969.PUBCHEM 000100969.mol (via Jmol)
000100972.b3lyp_6-31g(d).inp

000100972.b3lyp_6-31g(d).qchem.inp (generated)

000100972.b3lyp_6-31g(d).gjf (generated)

000100972.b3lyp_6-31g(d).firefly.inp (generated)

000100972.b3lyp_6-31g(d).smash.inp (generated)

000100972.b3lyp_6-31g(d).nwchem.inp (generated) 000100972.b3lyp_6-31g(d).log.xz 000100972.td-b3lyp_6-31g+(d).inp 000100972.td-b3lyp_6-31g+(d).log.xz

000100972.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100972.td-b3lyp_6-31+g(d).gjf (generated)

000100972.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100972.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100972.mol 000100972.PUBCHEM 000100972.mol (via Jmol)
000100973.b3lyp_6-31g(d).inp

000100973.b3lyp_6-31g(d).qchem.inp (generated)

000100973.b3lyp_6-31g(d).gjf (generated)

000100973.b3lyp_6-31g(d).firefly.inp (generated)

000100973.b3lyp_6-31g(d).smash.inp (generated)

000100973.b3lyp_6-31g(d).nwchem.inp (generated) 000100973.b3lyp_6-31g(d).log.xz 000100973.td-b3lyp_6-31g+(d).inp 000100973.td-b3lyp_6-31g+(d).log.xz

000100973.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100973.td-b3lyp_6-31+g(d).gjf (generated)

000100973.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100973.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100973.mol 000100973.PUBCHEM 000100973.mol (via Jmol)
000100974.b3lyp_6-31g(d).inp

000100974.b3lyp_6-31g(d).qchem.inp (generated)

000100974.b3lyp_6-31g(d).gjf (generated)

000100974.b3lyp_6-31g(d).firefly.inp (generated)

000100974.b3lyp_6-31g(d).smash.inp (generated)

000100974.b3lyp_6-31g(d).nwchem.inp (generated) 000100974.b3lyp_6-31g(d).log.xz 000100974.td-b3lyp_6-31g+(d).inp 000100974.td-b3lyp_6-31g+(d).log.xz

000100974.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100974.td-b3lyp_6-31+g(d).gjf (generated)

000100974.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100974.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100974.mol 000100974.PUBCHEM 000100974.mol (via Jmol)
000100976.b3lyp_6-31g(d).inp

000100976.b3lyp_6-31g(d).qchem.inp (generated)

000100976.b3lyp_6-31g(d).gjf (generated)

000100976.b3lyp_6-31g(d).firefly.inp (generated)

000100976.b3lyp_6-31g(d).smash.inp (generated)

000100976.b3lyp_6-31g(d).nwchem.inp (generated) 000100976.b3lyp_6-31g(d).log.xz 000100976.td-b3lyp_6-31g+(d).inp 000100976.td-b3lyp_6-31g+(d).log.xz

000100976.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100976.td-b3lyp_6-31+g(d).gjf (generated)

000100976.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100976.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100976.mol 000100976.PUBCHEM 000100976.mol (via Jmol)
000100977.b3lyp_6-31g(d).inp

000100977.b3lyp_6-31g(d).qchem.inp (generated)

000100977.b3lyp_6-31g(d).gjf (generated)

000100977.b3lyp_6-31g(d).firefly.inp (generated)

000100977.b3lyp_6-31g(d).smash.inp (generated)

000100977.b3lyp_6-31g(d).nwchem.inp (generated) 000100977.b3lyp_6-31g(d).log.xz 000100977.td-b3lyp_6-31g+(d).inp 000100977.td-b3lyp_6-31g+(d).log.xz

000100977.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100977.td-b3lyp_6-31+g(d).gjf (generated)

000100977.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100977.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100977.mol 000100977.PUBCHEM 000100977.mol (via Jmol)
000100979.b3lyp_6-31g(d).inp

000100979.b3lyp_6-31g(d).qchem.inp (generated)

000100979.b3lyp_6-31g(d).gjf (generated)

000100979.b3lyp_6-31g(d).firefly.inp (generated)

000100979.b3lyp_6-31g(d).smash.inp (generated)

000100979.b3lyp_6-31g(d).nwchem.inp (generated) 000100979.b3lyp_6-31g(d).log.xz 000100979.td-b3lyp_6-31g+(d).inp 000100979.td-b3lyp_6-31g+(d).log.xz

000100979.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100979.td-b3lyp_6-31+g(d).gjf (generated)

000100979.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100979.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100979.mol 000100979.PUBCHEM 000100979.mol (via Jmol)
000100987.b3lyp_6-31g(d).inp

000100987.b3lyp_6-31g(d).qchem.inp (generated)

000100987.b3lyp_6-31g(d).gjf (generated)

000100987.b3lyp_6-31g(d).firefly.inp (generated)

000100987.b3lyp_6-31g(d).smash.inp (generated)

000100987.b3lyp_6-31g(d).nwchem.inp (generated) 000100987.b3lyp_6-31g(d).log.xz 000100987.td-b3lyp_6-31g+(d).inp 000100987.td-b3lyp_6-31g+(d).log.xz

000100987.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100987.td-b3lyp_6-31+g(d).gjf (generated)

000100987.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100987.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100987.mol 000100987.PUBCHEM 000100987.mol (via Jmol)
000100990.b3lyp_6-31g(d).inp

000100990.b3lyp_6-31g(d).qchem.inp (generated)

000100990.b3lyp_6-31g(d).gjf (generated)

000100990.b3lyp_6-31g(d).firefly.inp (generated)

000100990.b3lyp_6-31g(d).smash.inp (generated)

000100990.b3lyp_6-31g(d).nwchem.inp (generated) 000100990.b3lyp_6-31g(d).log.xz 000100990.td-b3lyp_6-31g+(d).inp 000100990.td-b3lyp_6-31g+(d).log.xz

000100990.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100990.td-b3lyp_6-31+g(d).gjf (generated)

000100990.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100990.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100990.mol 000100990.PUBCHEM 000100990.mol (via Jmol)
000100996.b3lyp_6-31g(d).inp

000100996.b3lyp_6-31g(d).qchem.inp (generated)

000100996.b3lyp_6-31g(d).gjf (generated)

000100996.b3lyp_6-31g(d).firefly.inp (generated)

000100996.b3lyp_6-31g(d).smash.inp (generated)

000100996.b3lyp_6-31g(d).nwchem.inp (generated) 000100996.b3lyp_6-31g(d).log.xz 000100996.td-b3lyp_6-31g+(d).inp 000100996.td-b3lyp_6-31g+(d).log.xz

000100996.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100996.td-b3lyp_6-31+g(d).gjf (generated)

000100996.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100996.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100996.mol 000100996.PUBCHEM 000100996.mol (via Jmol)
000100999.b3lyp_6-31g(d).inp

000100999.b3lyp_6-31g(d).qchem.inp (generated)

000100999.b3lyp_6-31g(d).gjf (generated)

000100999.b3lyp_6-31g(d).firefly.inp (generated)

000100999.b3lyp_6-31g(d).smash.inp (generated)

000100999.b3lyp_6-31g(d).nwchem.inp (generated) 000100999.b3lyp_6-31g(d).log.xz 000100999.td-b3lyp_6-31g+(d).inp 000100999.td-b3lyp_6-31g+(d).log.xz

000100999.td-b3lyp_6-31+g(d).qchem.inp (generated)

000100999.td-b3lyp_6-31+g(d).gjf (generated)

000100999.td-b3lyp_6-31+g(d).firefly.inp (generated)

000100999.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000100999.mol 000100999.PUBCHEM 000100999.mol (via Jmol)
000101003.b3lyp_6-31g(d).inp

000101003.b3lyp_6-31g(d).qchem.inp (generated)

000101003.b3lyp_6-31g(d).gjf (generated)

000101003.b3lyp_6-31g(d).firefly.inp (generated)

000101003.b3lyp_6-31g(d).smash.inp (generated)

000101003.b3lyp_6-31g(d).nwchem.inp (generated) 000101003.b3lyp_6-31g(d).log.xz 000101003.td-b3lyp_6-31g+(d).inp 000101003.td-b3lyp_6-31g+(d).log.xz

000101003.td-b3lyp_6-31+g(d).qchem.inp (generated)

000101003.td-b3lyp_6-31+g(d).gjf (generated)

000101003.td-b3lyp_6-31+g(d).firefly.inp (generated)

000101003.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000101003.mol 000101003.PUBCHEM 000101003.mol (via Jmol)
000101004.b3lyp_6-31g(d).inp

000101004.b3lyp_6-31g(d).qchem.inp (generated)

000101004.b3lyp_6-31g(d).gjf (generated)

000101004.b3lyp_6-31g(d).firefly.inp (generated)

000101004.b3lyp_6-31g(d).smash.inp (generated)

000101004.b3lyp_6-31g(d).nwchem.inp (generated) 000101004.b3lyp_6-31g(d).log.xz 000101004.td-b3lyp_6-31g+(d).inp 000101004.td-b3lyp_6-31g+(d).log.xz

000101004.td-b3lyp_6-31+g(d).qchem.inp (generated)

000101004.td-b3lyp_6-31+g(d).gjf (generated)

000101004.td-b3lyp_6-31+g(d).firefly.inp (generated)

000101004.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000101004.mol 000101004.PUBCHEM 000101004.mol (via Jmol)
000101005.b3lyp_6-31g(d).inp

000101005.b3lyp_6-31g(d).qchem.inp (generated)

000101005.b3lyp_6-31g(d).gjf (generated)

000101005.b3lyp_6-31g(d).firefly.inp (generated)

000101005.b3lyp_6-31g(d).smash.inp (generated)

000101005.b3lyp_6-31g(d).nwchem.inp (generated) 000101005.b3lyp_6-31g(d).log.xz 000101005.td-b3lyp_6-31g+(d).inp 000101005.td-b3lyp_6-31g+(d).log.xz

000101005.td-b3lyp_6-31+g(d).qchem.inp (generated)

000101005.td-b3lyp_6-31+g(d).gjf (generated)

000101005.td-b3lyp_6-31+g(d).firefly.inp (generated)

000101005.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000101005.mol 000101005.PUBCHEM 000101005.mol (via Jmol)
000101007.b3lyp_6-31g(d).inp

000101007.b3lyp_6-31g(d).qchem.inp (generated)

000101007.b3lyp_6-31g(d).gjf (generated)

000101007.b3lyp_6-31g(d).firefly.inp (generated)

000101007.b3lyp_6-31g(d).smash.inp (generated)

000101007.b3lyp_6-31g(d).nwchem.inp (generated) 000101007.b3lyp_6-31g(d).log.xz 000101007.td-b3lyp_6-31g+(d).inp 000101007.td-b3lyp_6-31g+(d).log.xz

000101007.td-b3lyp_6-31+g(d).qchem.inp (generated)

000101007.td-b3lyp_6-31+g(d).gjf (generated)

000101007.td-b3lyp_6-31+g(d).firefly.inp (generated)

000101007.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000101007.mol 000101007.PUBCHEM 000101007.mol (via Jmol)
000101010.b3lyp_6-31g(d).inp

000101010.b3lyp_6-31g(d).qchem.inp (generated)

000101010.b3lyp_6-31g(d).gjf (generated)

000101010.b3lyp_6-31g(d).firefly.inp (generated)

000101010.b3lyp_6-31g(d).smash.inp (generated)

000101010.b3lyp_6-31g(d).nwchem.inp (generated) 000101010.b3lyp_6-31g(d).log.xz 000101010.td-b3lyp_6-31g+(d).inp 000101010.td-b3lyp_6-31g+(d).log.xz

000101010.td-b3lyp_6-31+g(d).qchem.inp (generated)

000101010.td-b3lyp_6-31+g(d).gjf (generated)

000101010.td-b3lyp_6-31+g(d).firefly.inp (generated)

000101010.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000101010.mol 000101010.PUBCHEM 000101010.mol (via Jmol)
000101013.b3lyp_6-31g(d).inp

000101013.b3lyp_6-31g(d).qchem.inp (generated)

000101013.b3lyp_6-31g(d).gjf (generated)

000101013.b3lyp_6-31g(d).firefly.inp (generated)

000101013.b3lyp_6-31g(d).smash.inp (generated)

000101013.b3lyp_6-31g(d).nwchem.inp (generated) 000101013.b3lyp_6-31g(d).log.xz 000101013.td-b3lyp_6-31g+(d).inp 000101013.td-b3lyp_6-31g+(d).log.xz

000101013.td-b3lyp_6-31+g(d).qchem.inp (generated)

000101013.td-b3lyp_6-31+g(d).gjf (generated)

000101013.td-b3lyp_6-31+g(d).firefly.inp (generated)

000101013.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000101013.mol 000101013.PUBCHEM 000101013.mol (via Jmol)
000101014.b3lyp_6-31g(d).inp

000101014.b3lyp_6-31g(d).qchem.inp (generated)

000101014.b3lyp_6-31g(d).gjf (generated)

000101014.b3lyp_6-31g(d).firefly.inp (generated)

000101014.b3lyp_6-31g(d).smash.inp (generated)

000101014.b3lyp_6-31g(d).nwchem.inp (generated) 000101014.b3lyp_6-31g(d).log.xz 000101014.td-b3lyp_6-31g+(d).inp 000101014.td-b3lyp_6-31g+(d).log.xz

000101014.td-b3lyp_6-31+g(d).qchem.inp (generated)

000101014.td-b3lyp_6-31+g(d).gjf (generated)

000101014.td-b3lyp_6-31+g(d).firefly.inp (generated)

000101014.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000101014.mol 000101014.PUBCHEM 000101014.mol (via Jmol)
000101015.b3lyp_6-31g(d).inp

000101015.b3lyp_6-31g(d).qchem.inp (generated)

000101015.b3lyp_6-31g(d).gjf (generated)

000101015.b3lyp_6-31g(d).firefly.inp (generated)

000101015.b3lyp_6-31g(d).smash.inp (generated)

000101015.b3lyp_6-31g(d).nwchem.inp (generated) 000101015.b3lyp_6-31g(d).log.xz 000101015.td-b3lyp_6-31g+(d).inp 000101015.td-b3lyp_6-31g+(d).log.xz

000101015.td-b3lyp_6-31+g(d).qchem.inp (generated)

000101015.td-b3lyp_6-31+g(d).gjf (generated)

000101015.td-b3lyp_6-31+g(d).firefly.inp (generated)

000101015.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000101015.mol 000101015.PUBCHEM 000101015.mol (via Jmol)
000101016.b3lyp_6-31g(d).inp

000101016.b3lyp_6-31g(d).qchem.inp (generated)

000101016.b3lyp_6-31g(d).gjf (generated)

000101016.b3lyp_6-31g(d).firefly.inp (generated)

000101016.b3lyp_6-31g(d).smash.inp (generated)

000101016.b3lyp_6-31g(d).nwchem.inp (generated) 000101016.b3lyp_6-31g(d).log.xz 000101016.td-b3lyp_6-31g+(d).inp 000101016.td-b3lyp_6-31g+(d).log.xz

000101016.td-b3lyp_6-31+g(d).qchem.inp (generated)

000101016.td-b3lyp_6-31+g(d).gjf (generated)

000101016.td-b3lyp_6-31+g(d).firefly.inp (generated)

000101016.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000101016.mol 000101016.PUBCHEM 000101016.mol (via Jmol)
000101017.b3lyp_6-31g(d).inp

000101017.b3lyp_6-31g(d).qchem.inp (generated)

000101017.b3lyp_6-31g(d).gjf (generated)

000101017.b3lyp_6-31g(d).firefly.inp (generated)

000101017.b3lyp_6-31g(d).smash.inp (generated)

000101017.b3lyp_6-31g(d).nwchem.inp (generated) 000101017.b3lyp_6-31g(d).log.xz 000101017.td-b3lyp_6-31g+(d).inp 000101017.td-b3lyp_6-31g+(d).log.xz

000101017.td-b3lyp_6-31+g(d).qchem.inp (generated)

000101017.td-b3lyp_6-31+g(d).gjf (generated)

000101017.td-b3lyp_6-31+g(d).firefly.inp (generated)

000101017.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000101017.mol 000101017.PUBCHEM 000101017.mol (via Jmol)
000101018.b3lyp_6-31g(d).inp

000101018.b3lyp_6-31g(d).qchem.inp (generated)

000101018.b3lyp_6-31g(d).gjf (generated)

000101018.b3lyp_6-31g(d).firefly.inp (generated)

000101018.b3lyp_6-31g(d).smash.inp (generated)

000101018.b3lyp_6-31g(d).nwchem.inp (generated) 000101018.b3lyp_6-31g(d).log.xz 000101018.td-b3lyp_6-31g+(d).inp 000101018.td-b3lyp_6-31g+(d).log.xz

000101018.td-b3lyp_6-31+g(d).qchem.inp (generated)

000101018.td-b3lyp_6-31+g(d).gjf (generated)

000101018.td-b3lyp_6-31+g(d).firefly.inp (generated)

000101018.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000101018.mol 000101018.PUBCHEM 000101018.mol (via Jmol)
000101020.b3lyp_6-31g(d).inp

000101020.b3lyp_6-31g(d).qchem.inp (generated)

000101020.b3lyp_6-31g(d).gjf (generated)

000101020.b3lyp_6-31g(d).firefly.inp (generated)

000101020.b3lyp_6-31g(d).smash.inp (generated)

000101020.b3lyp_6-31g(d).nwchem.inp (generated) 000101020.b3lyp_6-31g(d).log.xz 000101020.td-b3lyp_6-31g+(d).inp 000101020.td-b3lyp_6-31g+(d).log.xz

000101020.td-b3lyp_6-31+g(d).qchem.inp (generated)

000101020.td-b3lyp_6-31+g(d).gjf (generated)

000101020.td-b3lyp_6-31+g(d).firefly.inp (generated)

000101020.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000101020.mol 000101020.PUBCHEM 000101020.mol (via Jmol)
000101021.b3lyp_6-31g(d).inp

000101021.b3lyp_6-31g(d).qchem.inp (generated)

000101021.b3lyp_6-31g(d).gjf (generated)

000101021.b3lyp_6-31g(d).firefly.inp (generated)

000101021.b3lyp_6-31g(d).smash.inp (generated)

000101021.b3lyp_6-31g(d).nwchem.inp (generated) 000101021.b3lyp_6-31g(d).log.xz 000101021.td-b3lyp_6-31g+(d).inp 000101021.td-b3lyp_6-31g+(d).log.xz

000101021.td-b3lyp_6-31+g(d).qchem.inp (generated)

000101021.td-b3lyp_6-31+g(d).gjf (generated)

000101021.td-b3lyp_6-31+g(d).firefly.inp (generated)

000101021.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000101021.mol 000101021.PUBCHEM 000101021.mol (via Jmol)
000101022.b3lyp_6-31g(d).inp

000101022.b3lyp_6-31g(d).qchem.inp (generated)

000101022.b3lyp_6-31g(d).gjf (generated)

000101022.b3lyp_6-31g(d).firefly.inp (generated)

000101022.b3lyp_6-31g(d).smash.inp (generated)

000101022.b3lyp_6-31g(d).nwchem.inp (generated) 000101022.b3lyp_6-31g(d).log.xz 000101022.td-b3lyp_6-31g+(d).inp 000101022.td-b3lyp_6-31g+(d).log.xz

000101022.td-b3lyp_6-31+g(d).qchem.inp (generated)

000101022.td-b3lyp_6-31+g(d).gjf (generated)

000101022.td-b3lyp_6-31+g(d).firefly.inp (generated)

000101022.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000101022.mol 000101022.PUBCHEM 000101022.mol (via Jmol)
000101023.b3lyp_6-31g(d).inp

000101023.b3lyp_6-31g(d).qchem.inp (generated)

000101023.b3lyp_6-31g(d).gjf (generated)

000101023.b3lyp_6-31g(d).firefly.inp (generated)

000101023.b3lyp_6-31g(d).smash.inp (generated)

000101023.b3lyp_6-31g(d).nwchem.inp (generated) 000101023.b3lyp_6-31g(d).log.xz 000101023.td-b3lyp_6-31g+(d).inp 000101023.td-b3lyp_6-31g+(d).log.xz

000101023.td-b3lyp_6-31+g(d).qchem.inp (generated)

000101023.td-b3lyp_6-31+g(d).gjf (generated)

000101023.td-b3lyp_6-31+g(d).firefly.inp (generated)

000101023.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000101023.mol 000101023.PUBCHEM 000101023.mol (via Jmol)
000101026.b3lyp_6-31g(d).inp

000101026.b3lyp_6-31g(d).qchem.inp (generated)

000101026.b3lyp_6-31g(d).gjf (generated)

000101026.b3lyp_6-31g(d).firefly.inp (generated)

000101026.b3lyp_6-31g(d).smash.inp (generated)

000101026.b3lyp_6-31g(d).nwchem.inp (generated) 000101026.b3lyp_6-31g(d).log.xz 000101026.td-b3lyp_6-31g+(d).inp 000101026.td-b3lyp_6-31g+(d).log.xz

000101026.td-b3lyp_6-31+g(d).qchem.inp (generated)

000101026.td-b3lyp_6-31+g(d).gjf (generated)

000101026.td-b3lyp_6-31+g(d).firefly.inp (generated)

000101026.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000101026.mol 000101026.PUBCHEM 000101026.mol (via Jmol)
000101027.b3lyp_6-31g(d).inp

000101027.b3lyp_6-31g(d).qchem.inp (generated)

000101027.b3lyp_6-31g(d).gjf (generated)

000101027.b3lyp_6-31g(d).firefly.inp (generated)

000101027.b3lyp_6-31g(d).smash.inp (generated)

000101027.b3lyp_6-31g(d).nwchem.inp (generated) 000101027.b3lyp_6-31g(d).log.xz 000101027.td-b3lyp_6-31g+(d).inp 000101027.td-b3lyp_6-31g+(d).log.xz

000101027.td-b3lyp_6-31+g(d).qchem.inp (generated)

000101027.td-b3lyp_6-31+g(d).gjf (generated)

000101027.td-b3lyp_6-31+g(d).firefly.inp (generated)

000101027.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000101027.mol 000101027.PUBCHEM 000101027.mol (via Jmol)
000101029.b3lyp_6-31g(d).inp

000101029.b3lyp_6-31g(d).qchem.inp (generated)

000101029.b3lyp_6-31g(d).gjf (generated)

000101029.b3lyp_6-31g(d).firefly.inp (generated)

000101029.b3lyp_6-31g(d).smash.inp (generated)

000101029.b3lyp_6-31g(d).nwchem.inp (generated) 000101029.b3lyp_6-31g(d).log.xz 000101029.td-b3lyp_6-31g+(d).inp 000101029.td-b3lyp_6-31g+(d).log.xz

000101029.td-b3lyp_6-31+g(d).qchem.inp (generated)

000101029.td-b3lyp_6-31+g(d).gjf (generated)

000101029.td-b3lyp_6-31+g(d).firefly.inp (generated)

000101029.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000101029.mol 000101029.PUBCHEM 000101029.mol (via Jmol)
000101030.b3lyp_6-31g(d).inp

000101030.b3lyp_6-31g(d).qchem.inp (generated)

000101030.b3lyp_6-31g(d).gjf (generated)

000101030.b3lyp_6-31g(d).firefly.inp (generated)

000101030.b3lyp_6-31g(d).smash.inp (generated)

000101030.b3lyp_6-31g(d).nwchem.inp (generated) 000101030.b3lyp_6-31g(d).log.xz 000101030.td-b3lyp_6-31g+(d).inp 000101030.td-b3lyp_6-31g+(d).log.xz

000101030.td-b3lyp_6-31+g(d).qchem.inp (generated)

000101030.td-b3lyp_6-31+g(d).gjf (generated)

000101030.td-b3lyp_6-31+g(d).firefly.inp (generated)

000101030.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000101030.mol 000101030.PUBCHEM 000101030.mol (via Jmol)
000101032.b3lyp_6-31g(d).inp

000101032.b3lyp_6-31g(d).qchem.inp (generated)

000101032.b3lyp_6-31g(d).gjf (generated)

000101032.b3lyp_6-31g(d).firefly.inp (generated)

000101032.b3lyp_6-31g(d).smash.inp (generated)

000101032.b3lyp_6-31g(d).nwchem.inp (generated) 000101032.b3lyp_6-31g(d).log.xz 000101032.td-b3lyp_6-31g+(d).inp 000101032.td-b3lyp_6-31g+(d).log.xz

000101032.td-b3lyp_6-31+g(d).qchem.inp (generated)

000101032.td-b3lyp_6-31+g(d).gjf (generated)

000101032.td-b3lyp_6-31+g(d).firefly.inp (generated)

000101032.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000101032.mol 000101032.PUBCHEM 000101032.mol (via Jmol)
000101033.b3lyp_6-31g(d).inp

000101033.b3lyp_6-31g(d).qchem.inp (generated)

000101033.b3lyp_6-31g(d).gjf (generated)

000101033.b3lyp_6-31g(d).firefly.inp (generated)

000101033.b3lyp_6-31g(d).smash.inp (generated)

000101033.b3lyp_6-31g(d).nwchem.inp (generated) 000101033.b3lyp_6-31g(d).log.xz 000101033.td-b3lyp_6-31g+(d).inp 000101033.td-b3lyp_6-31g+(d).log.xz

000101033.td-b3lyp_6-31+g(d).qchem.inp (generated)

000101033.td-b3lyp_6-31+g(d).gjf (generated)

000101033.td-b3lyp_6-31+g(d).firefly.inp (generated)

000101033.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000101033.mol 000101033.PUBCHEM 000101033.mol (via Jmol)
000101035.b3lyp_6-31g(d).inp

000101035.b3lyp_6-31g(d).qchem.inp (generated)

000101035.b3lyp_6-31g(d).gjf (generated)

000101035.b3lyp_6-31g(d).firefly.inp (generated)

000101035.b3lyp_6-31g(d).smash.inp (generated)

000101035.b3lyp_6-31g(d).nwchem.inp (generated) 000101035.b3lyp_6-31g(d).log.xz 000101035.td-b3lyp_6-31g+(d).inp 000101035.td-b3lyp_6-31g+(d).log.xz

000101035.td-b3lyp_6-31+g(d).qchem.inp (generated)

000101035.td-b3lyp_6-31+g(d).gjf (generated)

000101035.td-b3lyp_6-31+g(d).firefly.inp (generated)

000101035.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000101035.mol 000101035.PUBCHEM 000101035.mol (via Jmol)
000101036.b3lyp_6-31g(d).inp

000101036.b3lyp_6-31g(d).qchem.inp (generated)

000101036.b3lyp_6-31g(d).gjf (generated)

000101036.b3lyp_6-31g(d).firefly.inp (generated)

000101036.b3lyp_6-31g(d).smash.inp (generated)

000101036.b3lyp_6-31g(d).nwchem.inp (generated) 000101036.b3lyp_6-31g(d).log.xz 000101036.td-b3lyp_6-31g+(d).inp 000101036.td-b3lyp_6-31g+(d).log.xz

000101036.td-b3lyp_6-31+g(d).qchem.inp (generated)

000101036.td-b3lyp_6-31+g(d).gjf (generated)

000101036.td-b3lyp_6-31+g(d).firefly.inp (generated)

000101036.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000101036.mol 000101036.PUBCHEM 000101036.mol (via Jmol)
000101037.b3lyp_6-31g(d).inp

000101037.b3lyp_6-31g(d).qchem.inp (generated)

000101037.b3lyp_6-31g(d).gjf (generated)

000101037.b3lyp_6-31g(d).firefly.inp (generated)

000101037.b3lyp_6-31g(d).smash.inp (generated)

000101037.b3lyp_6-31g(d).nwchem.inp (generated) 000101037.b3lyp_6-31g(d).log.xz 000101037.td-b3lyp_6-31g+(d).inp 000101037.td-b3lyp_6-31g+(d).log.xz

000101037.td-b3lyp_6-31+g(d).qchem.inp (generated)

000101037.td-b3lyp_6-31+g(d).gjf (generated)

000101037.td-b3lyp_6-31+g(d).firefly.inp (generated)

000101037.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000101037.mol 000101037.PUBCHEM 000101037.mol (via Jmol)
000101040.b3lyp_6-31g(d).inp

000101040.b3lyp_6-31g(d).qchem.inp (generated)

000101040.b3lyp_6-31g(d).gjf (generated)

000101040.b3lyp_6-31g(d).firefly.inp (generated)

000101040.b3lyp_6-31g(d).smash.inp (generated)

000101040.b3lyp_6-31g(d).nwchem.inp (generated) 000101040.b3lyp_6-31g(d).log.xz 000101040.td-b3lyp_6-31g+(d).inp 000101040.td-b3lyp_6-31g+(d).log.xz

000101040.td-b3lyp_6-31+g(d).qchem.inp (generated)

000101040.td-b3lyp_6-31+g(d).gjf (generated)

000101040.td-b3lyp_6-31+g(d).firefly.inp (generated)

000101040.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000101040.mol 000101040.PUBCHEM 000101040.mol (via Jmol)
000101042.b3lyp_6-31g(d).inp

000101042.b3lyp_6-31g(d).qchem.inp (generated)

000101042.b3lyp_6-31g(d).gjf (generated)

000101042.b3lyp_6-31g(d).firefly.inp (generated)

000101042.b3lyp_6-31g(d).smash.inp (generated)

000101042.b3lyp_6-31g(d).nwchem.inp (generated) 000101042.b3lyp_6-31g(d).log.xz 000101042.td-b3lyp_6-31g+(d).inp 000101042.td-b3lyp_6-31g+(d).log.xz

000101042.td-b3lyp_6-31+g(d).qchem.inp (generated)

000101042.td-b3lyp_6-31+g(d).gjf (generated)

000101042.td-b3lyp_6-31+g(d).firefly.inp (generated)

000101042.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000101042.mol 000101042.PUBCHEM 000101042.mol (via Jmol)
000101043.b3lyp_6-31g(d).inp

000101043.b3lyp_6-31g(d).qchem.inp (generated)

000101043.b3lyp_6-31g(d).gjf (generated)

000101043.b3lyp_6-31g(d).firefly.inp (generated)

000101043.b3lyp_6-31g(d).smash.inp (generated)

000101043.b3lyp_6-31g(d).nwchem.inp (generated) 000101043.b3lyp_6-31g(d).log.xz 000101043.td-b3lyp_6-31g+(d).inp 000101043.td-b3lyp_6-31g+(d).log.xz

000101043.td-b3lyp_6-31+g(d).qchem.inp (generated)

000101043.td-b3lyp_6-31+g(d).gjf (generated)

000101043.td-b3lyp_6-31+g(d).firefly.inp (generated)

000101043.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000101043.mol 000101043.PUBCHEM 000101043.mol (via Jmol)
000101044.b3lyp_6-31g(d).inp

000101044.b3lyp_6-31g(d).qchem.inp (generated)

000101044.b3lyp_6-31g(d).gjf (generated)

000101044.b3lyp_6-31g(d).firefly.inp (generated)

000101044.b3lyp_6-31g(d).smash.inp (generated)

000101044.b3lyp_6-31g(d).nwchem.inp (generated) 000101044.b3lyp_6-31g(d).log.xz 000101044.td-b3lyp_6-31g+(d).inp 000101044.td-b3lyp_6-31g+(d).log.xz

000101044.td-b3lyp_6-31+g(d).qchem.inp (generated)

000101044.td-b3lyp_6-31+g(d).gjf (generated)

000101044.td-b3lyp_6-31+g(d).firefly.inp (generated)

000101044.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000101044.mol 000101044.PUBCHEM 000101044.mol (via Jmol)
000101045.b3lyp_6-31g(d).inp

000101045.b3lyp_6-31g(d).qchem.inp (generated)

000101045.b3lyp_6-31g(d).gjf (generated)

000101045.b3lyp_6-31g(d).firefly.inp (generated)

000101045.b3lyp_6-31g(d).smash.inp (generated)

000101045.b3lyp_6-31g(d).nwchem.inp (generated) 000101045.b3lyp_6-31g(d).log.xz 000101045.td-b3lyp_6-31g+(d).inp 000101045.td-b3lyp_6-31g+(d).log.xz

000101045.td-b3lyp_6-31+g(d).qchem.inp (generated)

000101045.td-b3lyp_6-31+g(d).gjf (generated)

000101045.td-b3lyp_6-31+g(d).firefly.inp (generated)

000101045.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000101045.mol 000101045.PUBCHEM 000101045.mol (via Jmol)
000101046.b3lyp_6-31g(d).inp

000101046.b3lyp_6-31g(d).qchem.inp (generated)

000101046.b3lyp_6-31g(d).gjf (generated)

000101046.b3lyp_6-31g(d).firefly.inp (generated)

000101046.b3lyp_6-31g(d).smash.inp (generated)

000101046.b3lyp_6-31g(d).nwchem.inp (generated) 000101046.b3lyp_6-31g(d).log.xz 000101046.td-b3lyp_6-31g+(d).inp 000101046.td-b3lyp_6-31g+(d).log.xz

000101046.td-b3lyp_6-31+g(d).qchem.inp (generated)

000101046.td-b3lyp_6-31+g(d).gjf (generated)

000101046.td-b3lyp_6-31+g(d).firefly.inp (generated)

000101046.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000101046.mol 000101046.PUBCHEM 000101046.mol (via Jmol)
000101047.b3lyp_6-31g(d).inp

000101047.b3lyp_6-31g(d).qchem.inp (generated)

000101047.b3lyp_6-31g(d).gjf (generated)

000101047.b3lyp_6-31g(d).firefly.inp (generated)

000101047.b3lyp_6-31g(d).smash.inp (generated)

000101047.b3lyp_6-31g(d).nwchem.inp (generated) 000101047.b3lyp_6-31g(d).log.xz 000101047.td-b3lyp_6-31g+(d).inp 000101047.td-b3lyp_6-31g+(d).log.xz

000101047.td-b3lyp_6-31+g(d).qchem.inp (generated)

000101047.td-b3lyp_6-31+g(d).gjf (generated)

000101047.td-b3lyp_6-31+g(d).firefly.inp (generated)

000101047.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000101047.mol 000101047.PUBCHEM 000101047.mol (via Jmol)
000101051.b3lyp_6-31g(d).inp

000101051.b3lyp_6-31g(d).qchem.inp (generated)

000101051.b3lyp_6-31g(d).gjf (generated)

000101051.b3lyp_6-31g(d).firefly.inp (generated)

000101051.b3lyp_6-31g(d).smash.inp (generated)

000101051.b3lyp_6-31g(d).nwchem.inp (generated) 000101051.b3lyp_6-31g(d).log.xz 000101051.td-b3lyp_6-31g+(d).inp 000101051.td-b3lyp_6-31g+(d).log.xz

000101051.td-b3lyp_6-31+g(d).qchem.inp (generated)

000101051.td-b3lyp_6-31+g(d).gjf (generated)

000101051.td-b3lyp_6-31+g(d).firefly.inp (generated)

000101051.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000101051.mol 000101051.PUBCHEM 000101051.mol (via Jmol)
000101052.b3lyp_6-31g(d).inp

000101052.b3lyp_6-31g(d).qchem.inp (generated)

000101052.b3lyp_6-31g(d).gjf (generated)

000101052.b3lyp_6-31g(d).firefly.inp (generated)

000101052.b3lyp_6-31g(d).smash.inp (generated)

000101052.b3lyp_6-31g(d).nwchem.inp (generated) 000101052.b3lyp_6-31g(d).log.xz 000101052.td-b3lyp_6-31g+(d).inp 000101052.td-b3lyp_6-31g+(d).log.xz

000101052.td-b3lyp_6-31+g(d).qchem.inp (generated)

000101052.td-b3lyp_6-31+g(d).gjf (generated)

000101052.td-b3lyp_6-31+g(d).firefly.inp (generated)

000101052.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000101052.mol 000101052.PUBCHEM 000101052.mol (via Jmol)
000101060.b3lyp_6-31g(d).inp

000101060.b3lyp_6-31g(d).qchem.inp (generated)

000101060.b3lyp_6-31g(d).gjf (generated)

000101060.b3lyp_6-31g(d).firefly.inp (generated)

000101060.b3lyp_6-31g(d).smash.inp (generated)

000101060.b3lyp_6-31g(d).nwchem.inp (generated) 000101060.b3lyp_6-31g(d).log.xz 000101060.td-b3lyp_6-31g+(d).inp 000101060.td-b3lyp_6-31g+(d).log.xz

000101060.td-b3lyp_6-31+g(d).qchem.inp (generated)

000101060.td-b3lyp_6-31+g(d).gjf (generated)

000101060.td-b3lyp_6-31+g(d).firefly.inp (generated)

000101060.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000101060.mol 000101060.PUBCHEM 000101060.mol (via Jmol)
000101063.b3lyp_6-31g(d).inp

000101063.b3lyp_6-31g(d).qchem.inp (generated)

000101063.b3lyp_6-31g(d).gjf (generated)

000101063.b3lyp_6-31g(d).firefly.inp (generated)

000101063.b3lyp_6-31g(d).smash.inp (generated)

000101063.b3lyp_6-31g(d).nwchem.inp (generated) 000101063.b3lyp_6-31g(d).log.xz 000101063.td-b3lyp_6-31g+(d).inp 000101063.td-b3lyp_6-31g+(d).log.xz

000101063.td-b3lyp_6-31+g(d).qchem.inp (generated)

000101063.td-b3lyp_6-31+g(d).gjf (generated)

000101063.td-b3lyp_6-31+g(d).firefly.inp (generated)

000101063.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000101063.mol 000101063.PUBCHEM 000101063.mol (via Jmol)
000101066.b3lyp_6-31g(d).inp

000101066.b3lyp_6-31g(d).qchem.inp (generated)

000101066.b3lyp_6-31g(d).gjf (generated)

000101066.b3lyp_6-31g(d).firefly.inp (generated)

000101066.b3lyp_6-31g(d).smash.inp (generated)

000101066.b3lyp_6-31g(d).nwchem.inp (generated) 000101066.b3lyp_6-31g(d).log.xz 000101066.td-b3lyp_6-31g+(d).inp 000101066.td-b3lyp_6-31g+(d).log.xz

000101066.td-b3lyp_6-31+g(d).qchem.inp (generated)

000101066.td-b3lyp_6-31+g(d).gjf (generated)

000101066.td-b3lyp_6-31+g(d).firefly.inp (generated)

000101066.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000101066.mol 000101066.PUBCHEM 000101066.mol (via Jmol)
000101067.b3lyp_6-31g(d).inp

000101067.b3lyp_6-31g(d).qchem.inp (generated)

000101067.b3lyp_6-31g(d).gjf (generated)

000101067.b3lyp_6-31g(d).firefly.inp (generated)

000101067.b3lyp_6-31g(d).smash.inp (generated)

000101067.b3lyp_6-31g(d).nwchem.inp (generated) 000101067.b3lyp_6-31g(d).log.xz 000101067.td-b3lyp_6-31g+(d).inp 000101067.td-b3lyp_6-31g+(d).log.xz

000101067.td-b3lyp_6-31+g(d).qchem.inp (generated)

000101067.td-b3lyp_6-31+g(d).gjf (generated)

000101067.td-b3lyp_6-31+g(d).firefly.inp (generated)

000101067.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000101067.mol 000101067.PUBCHEM 000101067.mol (via Jmol)
000101068.b3lyp_6-31g(d).inp

000101068.b3lyp_6-31g(d).qchem.inp (generated)

000101068.b3lyp_6-31g(d).gjf (generated)

000101068.b3lyp_6-31g(d).firefly.inp (generated)

000101068.b3lyp_6-31g(d).smash.inp (generated)

000101068.b3lyp_6-31g(d).nwchem.inp (generated) 000101068.b3lyp_6-31g(d).log.xz 000101068.td-b3lyp_6-31g+(d).inp 000101068.td-b3lyp_6-31g+(d).log.xz

000101068.td-b3lyp_6-31+g(d).qchem.inp (generated)

000101068.td-b3lyp_6-31+g(d).gjf (generated)

000101068.td-b3lyp_6-31+g(d).firefly.inp (generated)

000101068.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000101068.mol 000101068.PUBCHEM 000101068.mol (via Jmol)
000101069.b3lyp_6-31g(d).inp

000101069.b3lyp_6-31g(d).qchem.inp (generated)

000101069.b3lyp_6-31g(d).gjf (generated)

000101069.b3lyp_6-31g(d).firefly.inp (generated)

000101069.b3lyp_6-31g(d).smash.inp (generated)

000101069.b3lyp_6-31g(d).nwchem.inp (generated) 000101069.b3lyp_6-31g(d).log.xz 000101069.td-b3lyp_6-31g+(d).inp 000101069.td-b3lyp_6-31g+(d).log.xz

000101069.td-b3lyp_6-31+g(d).qchem.inp (generated)

000101069.td-b3lyp_6-31+g(d).gjf (generated)

000101069.td-b3lyp_6-31+g(d).firefly.inp (generated)

000101069.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000101069.mol 000101069.PUBCHEM 000101069.mol (via Jmol)
000101070.b3lyp_6-31g(d).inp

000101070.b3lyp_6-31g(d).qchem.inp (generated)

000101070.b3lyp_6-31g(d).gjf (generated)

000101070.b3lyp_6-31g(d).firefly.inp (generated)

000101070.b3lyp_6-31g(d).smash.inp (generated)

000101070.b3lyp_6-31g(d).nwchem.inp (generated) 000101070.b3lyp_6-31g(d).log.xz 000101070.td-b3lyp_6-31g+(d).inp 000101070.td-b3lyp_6-31g+(d).log.xz

000101070.td-b3lyp_6-31+g(d).qchem.inp (generated)

000101070.td-b3lyp_6-31+g(d).gjf (generated)

000101070.td-b3lyp_6-31+g(d).firefly.inp (generated)

000101070.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000101070.mol 000101070.PUBCHEM 000101070.mol (via Jmol)
000101072.b3lyp_6-31g(d).inp

000101072.b3lyp_6-31g(d).qchem.inp (generated)

000101072.b3lyp_6-31g(d).gjf (generated)

000101072.b3lyp_6-31g(d).firefly.inp (generated)

000101072.b3lyp_6-31g(d).smash.inp (generated)

000101072.b3lyp_6-31g(d).nwchem.inp (generated) 000101072.b3lyp_6-31g(d).log.xz 000101072.td-b3lyp_6-31g+(d).inp 000101072.td-b3lyp_6-31g+(d).log.xz

000101072.td-b3lyp_6-31+g(d).qchem.inp (generated)

000101072.td-b3lyp_6-31+g(d).gjf (generated)

000101072.td-b3lyp_6-31+g(d).firefly.inp (generated)

000101072.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000101072.mol 000101072.PUBCHEM 000101072.mol (via Jmol)
000101075.b3lyp_6-31g(d).inp

000101075.b3lyp_6-31g(d).qchem.inp (generated)

000101075.b3lyp_6-31g(d).gjf (generated)

000101075.b3lyp_6-31g(d).firefly.inp (generated)

000101075.b3lyp_6-31g(d).smash.inp (generated)

000101075.b3lyp_6-31g(d).nwchem.inp (generated) 000101075.b3lyp_6-31g(d).log.xz 000101075.td-b3lyp_6-31g+(d).inp 000101075.td-b3lyp_6-31g+(d).log.xz

000101075.td-b3lyp_6-31+g(d).qchem.inp (generated)

000101075.td-b3lyp_6-31+g(d).gjf (generated)

000101075.td-b3lyp_6-31+g(d).firefly.inp (generated)

000101075.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000101075.mol 000101075.PUBCHEM 000101075.mol (via Jmol)
000101077.b3lyp_6-31g(d).inp

000101077.b3lyp_6-31g(d).qchem.inp (generated)

000101077.b3lyp_6-31g(d).gjf (generated)

000101077.b3lyp_6-31g(d).firefly.inp (generated)

000101077.b3lyp_6-31g(d).smash.inp (generated)

000101077.b3lyp_6-31g(d).nwchem.inp (generated) 000101077.b3lyp_6-31g(d).log.xz 000101077.td-b3lyp_6-31g+(d).inp 000101077.td-b3lyp_6-31g+(d).log.xz

000101077.td-b3lyp_6-31+g(d).qchem.inp (generated)

000101077.td-b3lyp_6-31+g(d).gjf (generated)

000101077.td-b3lyp_6-31+g(d).firefly.inp (generated)

000101077.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000101077.mol 000101077.PUBCHEM 000101077.mol (via Jmol)
000101079.b3lyp_6-31g(d).inp

000101079.b3lyp_6-31g(d).qchem.inp (generated)

000101079.b3lyp_6-31g(d).gjf (generated)

000101079.b3lyp_6-31g(d).firefly.inp (generated)

000101079.b3lyp_6-31g(d).smash.inp (generated)

000101079.b3lyp_6-31g(d).nwchem.inp (generated) 000101079.b3lyp_6-31g(d).log.xz 000101079.td-b3lyp_6-31g+(d).inp 000101079.td-b3lyp_6-31g+(d).log.xz

000101079.td-b3lyp_6-31+g(d).qchem.inp (generated)

000101079.td-b3lyp_6-31+g(d).gjf (generated)

000101079.td-b3lyp_6-31+g(d).firefly.inp (generated)

000101079.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000101079.mol 000101079.PUBCHEM 000101079.mol (via Jmol)
000101080.b3lyp_6-31g(d).inp

000101080.b3lyp_6-31g(d).qchem.inp (generated)

000101080.b3lyp_6-31g(d).gjf (generated)

000101080.b3lyp_6-31g(d).firefly.inp (generated)

000101080.b3lyp_6-31g(d).smash.inp (generated)

000101080.b3lyp_6-31g(d).nwchem.inp (generated) 000101080.b3lyp_6-31g(d).log.xz 000101080.td-b3lyp_6-31g+(d).inp 000101080.td-b3lyp_6-31g+(d).log.xz

000101080.td-b3lyp_6-31+g(d).qchem.inp (generated)

000101080.td-b3lyp_6-31+g(d).gjf (generated)

000101080.td-b3lyp_6-31+g(d).firefly.inp (generated)

000101080.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000101080.mol 000101080.PUBCHEM 000101080.mol (via Jmol)
000101083.b3lyp_6-31g(d).inp

000101083.b3lyp_6-31g(d).qchem.inp (generated)

000101083.b3lyp_6-31g(d).gjf (generated)

000101083.b3lyp_6-31g(d).firefly.inp (generated)

000101083.b3lyp_6-31g(d).smash.inp (generated)

000101083.b3lyp_6-31g(d).nwchem.inp (generated) 000101083.b3lyp_6-31g(d).log.xz 000101083.td-b3lyp_6-31g+(d).inp 000101083.td-b3lyp_6-31g+(d).log.xz

000101083.td-b3lyp_6-31+g(d).qchem.inp (generated)

000101083.td-b3lyp_6-31+g(d).gjf (generated)

000101083.td-b3lyp_6-31+g(d).firefly.inp (generated)

000101083.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000101083.mol 000101083.PUBCHEM 000101083.mol (via Jmol)
000101093.b3lyp_6-31g(d).inp

000101093.b3lyp_6-31g(d).qchem.inp (generated)

000101093.b3lyp_6-31g(d).gjf (generated)

000101093.b3lyp_6-31g(d).firefly.inp (generated)

000101093.b3lyp_6-31g(d).smash.inp (generated)

000101093.b3lyp_6-31g(d).nwchem.inp (generated) 000101093.b3lyp_6-31g(d).log.xz 000101093.td-b3lyp_6-31g+(d).inp 000101093.td-b3lyp_6-31g+(d).log.xz

000101093.td-b3lyp_6-31+g(d).qchem.inp (generated)

000101093.td-b3lyp_6-31+g(d).gjf (generated)

000101093.td-b3lyp_6-31+g(d).firefly.inp (generated)

000101093.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000101093.mol 000101093.PUBCHEM 000101093.mol (via Jmol)
000101094.b3lyp_6-31g(d).inp

000101094.b3lyp_6-31g(d).qchem.inp (generated)

000101094.b3lyp_6-31g(d).gjf (generated)

000101094.b3lyp_6-31g(d).firefly.inp (generated)

000101094.b3lyp_6-31g(d).smash.inp (generated)

000101094.b3lyp_6-31g(d).nwchem.inp (generated) 000101094.b3lyp_6-31g(d).log.xz 000101094.td-b3lyp_6-31g+(d).inp 000101094.td-b3lyp_6-31g+(d).log.xz

000101094.td-b3lyp_6-31+g(d).qchem.inp (generated)

000101094.td-b3lyp_6-31+g(d).gjf (generated)

000101094.td-b3lyp_6-31+g(d).firefly.inp (generated)

000101094.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000101094.mol 000101094.PUBCHEM 000101094.mol (via Jmol)
000101097.b3lyp_6-31g(d).inp

000101097.b3lyp_6-31g(d).qchem.inp (generated)

000101097.b3lyp_6-31g(d).gjf (generated)

000101097.b3lyp_6-31g(d).firefly.inp (generated)

000101097.b3lyp_6-31g(d).smash.inp (generated)

000101097.b3lyp_6-31g(d).nwchem.inp (generated) 000101097.b3lyp_6-31g(d).log.xz 000101097.td-b3lyp_6-31g+(d).inp 000101097.td-b3lyp_6-31g+(d).log.xz

000101097.td-b3lyp_6-31+g(d).qchem.inp (generated)

000101097.td-b3lyp_6-31+g(d).gjf (generated)

000101097.td-b3lyp_6-31+g(d).firefly.inp (generated)

000101097.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000101097.mol 000101097.PUBCHEM 000101097.mol (via Jmol)
000101099.b3lyp_6-31g(d).inp

000101099.b3lyp_6-31g(d).qchem.inp (generated)

000101099.b3lyp_6-31g(d).gjf (generated)

000101099.b3lyp_6-31g(d).firefly.inp (generated)

000101099.b3lyp_6-31g(d).smash.inp (generated)

000101099.b3lyp_6-31g(d).nwchem.inp (generated) 000101099.b3lyp_6-31g(d).log.xz 000101099.td-b3lyp_6-31g+(d).inp 000101099.td-b3lyp_6-31g+(d).log.xz

000101099.td-b3lyp_6-31+g(d).qchem.inp (generated)

000101099.td-b3lyp_6-31+g(d).gjf (generated)

000101099.td-b3lyp_6-31+g(d).firefly.inp (generated)

000101099.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000101099.mol 000101099.PUBCHEM 000101099.mol (via Jmol)
000101100.b3lyp_6-31g(d).inp

000101100.b3lyp_6-31g(d).qchem.inp (generated)

000101100.b3lyp_6-31g(d).gjf (generated)

000101100.b3lyp_6-31g(d).firefly.inp (generated)

000101100.b3lyp_6-31g(d).smash.inp (generated)

000101100.b3lyp_6-31g(d).nwchem.inp (generated) 000101100.b3lyp_6-31g(d).log.xz 000101100.td-b3lyp_6-31g+(d).inp 000101100.td-b3lyp_6-31g+(d).log.xz

000101100.td-b3lyp_6-31+g(d).qchem.inp (generated)

000101100.td-b3lyp_6-31+g(d).gjf (generated)

000101100.td-b3lyp_6-31+g(d).firefly.inp (generated)

000101100.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000101100.mol 000101100.PUBCHEM 000101100.mol (via Jmol)
000101101.b3lyp_6-31g(d).inp

000101101.b3lyp_6-31g(d).qchem.inp (generated)

000101101.b3lyp_6-31g(d).gjf (generated)

000101101.b3lyp_6-31g(d).firefly.inp (generated)

000101101.b3lyp_6-31g(d).smash.inp (generated)

000101101.b3lyp_6-31g(d).nwchem.inp (generated) 000101101.b3lyp_6-31g(d).log.xz 000101101.td-b3lyp_6-31g+(d).inp 000101101.td-b3lyp_6-31g+(d).log.xz

000101101.td-b3lyp_6-31+g(d).qchem.inp (generated)

000101101.td-b3lyp_6-31+g(d).gjf (generated)

000101101.td-b3lyp_6-31+g(d).firefly.inp (generated)

000101101.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000101101.mol 000101101.PUBCHEM 000101101.mol (via Jmol)
000101104.b3lyp_6-31g(d).inp

000101104.b3lyp_6-31g(d).qchem.inp (generated)

000101104.b3lyp_6-31g(d).gjf (generated)

000101104.b3lyp_6-31g(d).firefly.inp (generated)

000101104.b3lyp_6-31g(d).smash.inp (generated)

000101104.b3lyp_6-31g(d).nwchem.inp (generated) 000101104.b3lyp_6-31g(d).log.xz 000101104.td-b3lyp_6-31g+(d).inp 000101104.td-b3lyp_6-31g+(d).log.xz

000101104.td-b3lyp_6-31+g(d).qchem.inp (generated)

000101104.td-b3lyp_6-31+g(d).gjf (generated)

000101104.td-b3lyp_6-31+g(d).firefly.inp (generated)

000101104.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000101104.mol 000101104.PUBCHEM 000101104.mol (via Jmol)
000101106.b3lyp_6-31g(d).inp

000101106.b3lyp_6-31g(d).qchem.inp (generated)

000101106.b3lyp_6-31g(d).gjf (generated)

000101106.b3lyp_6-31g(d).firefly.inp (generated)

000101106.b3lyp_6-31g(d).smash.inp (generated)

000101106.b3lyp_6-31g(d).nwchem.inp (generated) 000101106.b3lyp_6-31g(d).log.xz 000101106.td-b3lyp_6-31g+(d).inp 000101106.td-b3lyp_6-31g+(d).log.xz

000101106.td-b3lyp_6-31+g(d).qchem.inp (generated)

000101106.td-b3lyp_6-31+g(d).gjf (generated)

000101106.td-b3lyp_6-31+g(d).firefly.inp (generated)

000101106.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000101106.mol 000101106.PUBCHEM 000101106.mol (via Jmol)
000101107.b3lyp_6-31g(d).inp

000101107.b3lyp_6-31g(d).qchem.inp (generated)

000101107.b3lyp_6-31g(d).gjf (generated)

000101107.b3lyp_6-31g(d).firefly.inp (generated)

000101107.b3lyp_6-31g(d).smash.inp (generated)

000101107.b3lyp_6-31g(d).nwchem.inp (generated) 000101107.b3lyp_6-31g(d).log.xz 000101107.td-b3lyp_6-31g+(d).inp 000101107.td-b3lyp_6-31g+(d).log.xz

000101107.td-b3lyp_6-31+g(d).qchem.inp (generated)

000101107.td-b3lyp_6-31+g(d).gjf (generated)

000101107.td-b3lyp_6-31+g(d).firefly.inp (generated)

000101107.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000101107.mol 000101107.PUBCHEM 000101107.mol (via Jmol)
000101108.b3lyp_6-31g(d).inp

000101108.b3lyp_6-31g(d).qchem.inp (generated)

000101108.b3lyp_6-31g(d).gjf (generated)

000101108.b3lyp_6-31g(d).firefly.inp (generated)

000101108.b3lyp_6-31g(d).smash.inp (generated)

000101108.b3lyp_6-31g(d).nwchem.inp (generated) 000101108.b3lyp_6-31g(d).log.xz 000101108.td-b3lyp_6-31g+(d).inp 000101108.td-b3lyp_6-31g+(d).log.xz

000101108.td-b3lyp_6-31+g(d).qchem.inp (generated)

000101108.td-b3lyp_6-31+g(d).gjf (generated)

000101108.td-b3lyp_6-31+g(d).firefly.inp (generated)

000101108.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000101108.mol 000101108.PUBCHEM 000101108.mol (via Jmol)
000101112.b3lyp_6-31g(d).inp

000101112.b3lyp_6-31g(d).qchem.inp (generated)

000101112.b3lyp_6-31g(d).gjf (generated)

000101112.b3lyp_6-31g(d).firefly.inp (generated)

000101112.b3lyp_6-31g(d).smash.inp (generated)

000101112.b3lyp_6-31g(d).nwchem.inp (generated) 000101112.b3lyp_6-31g(d).log.xz 000101112.td-b3lyp_6-31g+(d).inp 000101112.td-b3lyp_6-31g+(d).log.xz

000101112.td-b3lyp_6-31+g(d).qchem.inp (generated)

000101112.td-b3lyp_6-31+g(d).gjf (generated)

000101112.td-b3lyp_6-31+g(d).firefly.inp (generated)

000101112.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000101112.mol 000101112.PUBCHEM 000101112.mol (via Jmol)
000101114.b3lyp_6-31g(d).inp

000101114.b3lyp_6-31g(d).qchem.inp (generated)

000101114.b3lyp_6-31g(d).gjf (generated)

000101114.b3lyp_6-31g(d).firefly.inp (generated)

000101114.b3lyp_6-31g(d).smash.inp (generated)

000101114.b3lyp_6-31g(d).nwchem.inp (generated) 000101114.b3lyp_6-31g(d).log.xz 000101114.td-b3lyp_6-31g+(d).inp 000101114.td-b3lyp_6-31g+(d).log.xz

000101114.td-b3lyp_6-31+g(d).qchem.inp (generated)

000101114.td-b3lyp_6-31+g(d).gjf (generated)

000101114.td-b3lyp_6-31+g(d).firefly.inp (generated)

000101114.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000101114.mol 000101114.PUBCHEM 000101114.mol (via Jmol)
000101115.b3lyp_6-31g(d).inp

000101115.b3lyp_6-31g(d).qchem.inp (generated)

000101115.b3lyp_6-31g(d).gjf (generated)

000101115.b3lyp_6-31g(d).firefly.inp (generated)

000101115.b3lyp_6-31g(d).smash.inp (generated)

000101115.b3lyp_6-31g(d).nwchem.inp (generated) 000101115.b3lyp_6-31g(d).log.xz 000101115.td-b3lyp_6-31g+(d).inp 000101115.td-b3lyp_6-31g+(d).log.xz

000101115.td-b3lyp_6-31+g(d).qchem.inp (generated)

000101115.td-b3lyp_6-31+g(d).gjf (generated)

000101115.td-b3lyp_6-31+g(d).firefly.inp (generated)

000101115.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000101115.mol 000101115.PUBCHEM 000101115.mol (via Jmol)
000101117.b3lyp_6-31g(d).inp

000101117.b3lyp_6-31g(d).qchem.inp (generated)

000101117.b3lyp_6-31g(d).gjf (generated)

000101117.b3lyp_6-31g(d).firefly.inp (generated)

000101117.b3lyp_6-31g(d).smash.inp (generated)

000101117.b3lyp_6-31g(d).nwchem.inp (generated) 000101117.b3lyp_6-31g(d).log.xz 000101117.td-b3lyp_6-31g+(d).inp 000101117.td-b3lyp_6-31g+(d).log.xz

000101117.td-b3lyp_6-31+g(d).qchem.inp (generated)

000101117.td-b3lyp_6-31+g(d).gjf (generated)

000101117.td-b3lyp_6-31+g(d).firefly.inp (generated)

000101117.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000101117.mol 000101117.PUBCHEM 000101117.mol (via Jmol)
000101118.b3lyp_6-31g(d).inp

000101118.b3lyp_6-31g(d).qchem.inp (generated)

000101118.b3lyp_6-31g(d).gjf (generated)

000101118.b3lyp_6-31g(d).firefly.inp (generated)

000101118.b3lyp_6-31g(d).smash.inp (generated)

000101118.b3lyp_6-31g(d).nwchem.inp (generated) 000101118.b3lyp_6-31g(d).log.xz 000101118.td-b3lyp_6-31g+(d).inp 000101118.td-b3lyp_6-31g+(d).log.xz

000101118.td-b3lyp_6-31+g(d).qchem.inp (generated)

000101118.td-b3lyp_6-31+g(d).gjf (generated)

000101118.td-b3lyp_6-31+g(d).firefly.inp (generated)

000101118.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000101118.mol 000101118.PUBCHEM 000101118.mol (via Jmol)
000101119.b3lyp_6-31g(d).inp

000101119.b3lyp_6-31g(d).qchem.inp (generated)

000101119.b3lyp_6-31g(d).gjf (generated)

000101119.b3lyp_6-31g(d).firefly.inp (generated)

000101119.b3lyp_6-31g(d).smash.inp (generated)

000101119.b3lyp_6-31g(d).nwchem.inp (generated) 000101119.b3lyp_6-31g(d).log.xz 000101119.td-b3lyp_6-31g+(d).inp 000101119.td-b3lyp_6-31g+(d).log.xz

000101119.td-b3lyp_6-31+g(d).qchem.inp (generated)

000101119.td-b3lyp_6-31+g(d).gjf (generated)

000101119.td-b3lyp_6-31+g(d).firefly.inp (generated)

000101119.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000101119.mol 000101119.PUBCHEM 000101119.mol (via Jmol)
000101120.b3lyp_6-31g(d).inp

000101120.b3lyp_6-31g(d).qchem.inp (generated)

000101120.b3lyp_6-31g(d).gjf (generated)

000101120.b3lyp_6-31g(d).firefly.inp (generated)

000101120.b3lyp_6-31g(d).smash.inp (generated)

000101120.b3lyp_6-31g(d).nwchem.inp (generated) 000101120.b3lyp_6-31g(d).log.xz 000101120.td-b3lyp_6-31g+(d).inp 000101120.td-b3lyp_6-31g+(d).log.xz

000101120.td-b3lyp_6-31+g(d).qchem.inp (generated)

000101120.td-b3lyp_6-31+g(d).gjf (generated)

000101120.td-b3lyp_6-31+g(d).firefly.inp (generated)

000101120.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000101120.mol 000101120.PUBCHEM 000101120.mol (via Jmol)
000101121.b3lyp_6-31g(d).inp

000101121.b3lyp_6-31g(d).qchem.inp (generated)

000101121.b3lyp_6-31g(d).gjf (generated)

000101121.b3lyp_6-31g(d).firefly.inp (generated)

000101121.b3lyp_6-31g(d).smash.inp (generated)

000101121.b3lyp_6-31g(d).nwchem.inp (generated) 000101121.b3lyp_6-31g(d).log.xz 000101121.td-b3lyp_6-31g+(d).inp 000101121.td-b3lyp_6-31g+(d).log.xz

000101121.td-b3lyp_6-31+g(d).qchem.inp (generated)

000101121.td-b3lyp_6-31+g(d).gjf (generated)

000101121.td-b3lyp_6-31+g(d).firefly.inp (generated)

000101121.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000101121.mol 000101121.PUBCHEM 000101121.mol (via Jmol)
000101122.b3lyp_6-31g(d).inp

000101122.b3lyp_6-31g(d).qchem.inp (generated)

000101122.b3lyp_6-31g(d).gjf (generated)

000101122.b3lyp_6-31g(d).firefly.inp (generated)

000101122.b3lyp_6-31g(d).smash.inp (generated)

000101122.b3lyp_6-31g(d).nwchem.inp (generated) 000101122.b3lyp_6-31g(d).log.xz 000101122.td-b3lyp_6-31g+(d).inp 000101122.td-b3lyp_6-31g+(d).log.xz

000101122.td-b3lyp_6-31+g(d).qchem.inp (generated)

000101122.td-b3lyp_6-31+g(d).gjf (generated)

000101122.td-b3lyp_6-31+g(d).firefly.inp (generated)

000101122.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000101122.mol 000101122.PUBCHEM 000101122.mol (via Jmol)
000101123.b3lyp_6-31g(d).inp

000101123.b3lyp_6-31g(d).qchem.inp (generated)

000101123.b3lyp_6-31g(d).gjf (generated)

000101123.b3lyp_6-31g(d).firefly.inp (generated)

000101123.b3lyp_6-31g(d).smash.inp (generated)

000101123.b3lyp_6-31g(d).nwchem.inp (generated) 000101123.b3lyp_6-31g(d).log.xz 000101123.td-b3lyp_6-31g+(d).inp 000101123.td-b3lyp_6-31g+(d).log.xz

000101123.td-b3lyp_6-31+g(d).qchem.inp (generated)

000101123.td-b3lyp_6-31+g(d).gjf (generated)

000101123.td-b3lyp_6-31+g(d).firefly.inp (generated)

000101123.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000101123.mol 000101123.PUBCHEM 000101123.mol (via Jmol)
000101129.b3lyp_6-31g(d).inp

000101129.b3lyp_6-31g(d).qchem.inp (generated)

000101129.b3lyp_6-31g(d).gjf (generated)

000101129.b3lyp_6-31g(d).firefly.inp (generated)

000101129.b3lyp_6-31g(d).smash.inp (generated)

000101129.b3lyp_6-31g(d).nwchem.inp (generated) 000101129.b3lyp_6-31g(d).log.xz 000101129.td-b3lyp_6-31g+(d).inp 000101129.td-b3lyp_6-31g+(d).log.xz

000101129.td-b3lyp_6-31+g(d).qchem.inp (generated)

000101129.td-b3lyp_6-31+g(d).gjf (generated)

000101129.td-b3lyp_6-31+g(d).firefly.inp (generated)

000101129.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000101129.mol 000101129.PUBCHEM 000101129.mol (via Jmol)
000101130.b3lyp_6-31g(d).inp

000101130.b3lyp_6-31g(d).qchem.inp (generated)

000101130.b3lyp_6-31g(d).gjf (generated)

000101130.b3lyp_6-31g(d).firefly.inp (generated)

000101130.b3lyp_6-31g(d).smash.inp (generated)

000101130.b3lyp_6-31g(d).nwchem.inp (generated) 000101130.b3lyp_6-31g(d).log.xz 000101130.td-b3lyp_6-31g+(d).inp 000101130.td-b3lyp_6-31g+(d).log.xz

000101130.td-b3lyp_6-31+g(d).qchem.inp (generated)

000101130.td-b3lyp_6-31+g(d).gjf (generated)

000101130.td-b3lyp_6-31+g(d).firefly.inp (generated)

000101130.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000101130.mol 000101130.PUBCHEM 000101130.mol (via Jmol)
000101131.b3lyp_6-31g(d).inp

000101131.b3lyp_6-31g(d).qchem.inp (generated)

000101131.b3lyp_6-31g(d).gjf (generated)

000101131.b3lyp_6-31g(d).firefly.inp (generated)

000101131.b3lyp_6-31g(d).smash.inp (generated)

000101131.b3lyp_6-31g(d).nwchem.inp (generated) 000101131.b3lyp_6-31g(d).log.xz 000101131.td-b3lyp_6-31g+(d).inp 000101131.td-b3lyp_6-31g+(d).log.xz

000101131.td-b3lyp_6-31+g(d).qchem.inp (generated)

000101131.td-b3lyp_6-31+g(d).gjf (generated)

000101131.td-b3lyp_6-31+g(d).firefly.inp (generated)

000101131.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000101131.mol 000101131.PUBCHEM 000101131.mol (via Jmol)
000101132.b3lyp_6-31g(d).inp

000101132.b3lyp_6-31g(d).qchem.inp (generated)

000101132.b3lyp_6-31g(d).gjf (generated)

000101132.b3lyp_6-31g(d).firefly.inp (generated)

000101132.b3lyp_6-31g(d).smash.inp (generated)

000101132.b3lyp_6-31g(d).nwchem.inp (generated) 000101132.b3lyp_6-31g(d).log.xz 000101132.td-b3lyp_6-31g+(d).inp 000101132.td-b3lyp_6-31g+(d).log.xz

000101132.td-b3lyp_6-31+g(d).qchem.inp (generated)

000101132.td-b3lyp_6-31+g(d).gjf (generated)

000101132.td-b3lyp_6-31+g(d).firefly.inp (generated)

000101132.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000101132.mol 000101132.PUBCHEM 000101132.mol (via Jmol)
000101133.b3lyp_6-31g(d).inp

000101133.b3lyp_6-31g(d).qchem.inp (generated)

000101133.b3lyp_6-31g(d).gjf (generated)

000101133.b3lyp_6-31g(d).firefly.inp (generated)

000101133.b3lyp_6-31g(d).smash.inp (generated)

000101133.b3lyp_6-31g(d).nwchem.inp (generated) 000101133.b3lyp_6-31g(d).log.xz 000101133.td-b3lyp_6-31g+(d).inp 000101133.td-b3lyp_6-31g+(d).log.xz

000101133.td-b3lyp_6-31+g(d).qchem.inp (generated)

000101133.td-b3lyp_6-31+g(d).gjf (generated)

000101133.td-b3lyp_6-31+g(d).firefly.inp (generated)

000101133.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000101133.mol 000101133.PUBCHEM 000101133.mol (via Jmol)
000101134.b3lyp_6-31g(d).inp

000101134.b3lyp_6-31g(d).qchem.inp (generated)

000101134.b3lyp_6-31g(d).gjf (generated)

000101134.b3lyp_6-31g(d).firefly.inp (generated)

000101134.b3lyp_6-31g(d).smash.inp (generated)

000101134.b3lyp_6-31g(d).nwchem.inp (generated) 000101134.b3lyp_6-31g(d).log.xz 000101134.td-b3lyp_6-31g+(d).inp 000101134.td-b3lyp_6-31g+(d).log.xz

000101134.td-b3lyp_6-31+g(d).qchem.inp (generated)

000101134.td-b3lyp_6-31+g(d).gjf (generated)

000101134.td-b3lyp_6-31+g(d).firefly.inp (generated)

000101134.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000101134.mol 000101134.PUBCHEM 000101134.mol (via Jmol)
000101135.b3lyp_6-31g(d).inp

000101135.b3lyp_6-31g(d).qchem.inp (generated)

000101135.b3lyp_6-31g(d).gjf (generated)

000101135.b3lyp_6-31g(d).firefly.inp (generated)

000101135.b3lyp_6-31g(d).smash.inp (generated)

000101135.b3lyp_6-31g(d).nwchem.inp (generated) 000101135.b3lyp_6-31g(d).log.xz 000101135.td-b3lyp_6-31g+(d).inp 000101135.td-b3lyp_6-31g+(d).log.xz

000101135.td-b3lyp_6-31+g(d).qchem.inp (generated)

000101135.td-b3lyp_6-31+g(d).gjf (generated)

000101135.td-b3lyp_6-31+g(d).firefly.inp (generated)

000101135.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000101135.mol 000101135.PUBCHEM 000101135.mol (via Jmol)
000101136.b3lyp_6-31g(d).inp

000101136.b3lyp_6-31g(d).qchem.inp (generated)

000101136.b3lyp_6-31g(d).gjf (generated)

000101136.b3lyp_6-31g(d).firefly.inp (generated)

000101136.b3lyp_6-31g(d).smash.inp (generated)

000101136.b3lyp_6-31g(d).nwchem.inp (generated) 000101136.b3lyp_6-31g(d).log.xz 000101136.td-b3lyp_6-31g+(d).inp 000101136.td-b3lyp_6-31g+(d).log.xz

000101136.td-b3lyp_6-31+g(d).qchem.inp (generated)

000101136.td-b3lyp_6-31+g(d).gjf (generated)

000101136.td-b3lyp_6-31+g(d).firefly.inp (generated)

000101136.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000101136.mol 000101136.PUBCHEM 000101136.mol (via Jmol)
000101137.b3lyp_6-31g(d).inp

000101137.b3lyp_6-31g(d).qchem.inp (generated)

000101137.b3lyp_6-31g(d).gjf (generated)

000101137.b3lyp_6-31g(d).firefly.inp (generated)

000101137.b3lyp_6-31g(d).smash.inp (generated)

000101137.b3lyp_6-31g(d).nwchem.inp (generated) 000101137.b3lyp_6-31g(d).log.xz 000101137.td-b3lyp_6-31g+(d).inp 000101137.td-b3lyp_6-31g+(d).log.xz

000101137.td-b3lyp_6-31+g(d).qchem.inp (generated)

000101137.td-b3lyp_6-31+g(d).gjf (generated)

000101137.td-b3lyp_6-31+g(d).firefly.inp (generated)

000101137.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000101137.mol 000101137.PUBCHEM 000101137.mol (via Jmol)
000101138.b3lyp_6-31g(d).inp

000101138.b3lyp_6-31g(d).qchem.inp (generated)

000101138.b3lyp_6-31g(d).gjf (generated)

000101138.b3lyp_6-31g(d).firefly.inp (generated)

000101138.b3lyp_6-31g(d).smash.inp (generated)

000101138.b3lyp_6-31g(d).nwchem.inp (generated) 000101138.b3lyp_6-31g(d).log.xz 000101138.td-b3lyp_6-31g+(d).inp 000101138.td-b3lyp_6-31g+(d).log.xz

000101138.td-b3lyp_6-31+g(d).qchem.inp (generated)

000101138.td-b3lyp_6-31+g(d).gjf (generated)

000101138.td-b3lyp_6-31+g(d).firefly.inp (generated)

000101138.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000101138.mol 000101138.PUBCHEM 000101138.mol (via Jmol)
000101139.b3lyp_6-31g(d).inp

000101139.b3lyp_6-31g(d).qchem.inp (generated)

000101139.b3lyp_6-31g(d).gjf (generated)

000101139.b3lyp_6-31g(d).firefly.inp (generated)

000101139.b3lyp_6-31g(d).smash.inp (generated)

000101139.b3lyp_6-31g(d).nwchem.inp (generated) 000101139.b3lyp_6-31g(d).log.xz 000101139.td-b3lyp_6-31g+(d).inp 000101139.td-b3lyp_6-31g+(d).log.xz

000101139.td-b3lyp_6-31+g(d).qchem.inp (generated)

000101139.td-b3lyp_6-31+g(d).gjf (generated)

000101139.td-b3lyp_6-31+g(d).firefly.inp (generated)

000101139.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000101139.mol 000101139.PUBCHEM 000101139.mol (via Jmol)
000101140.b3lyp_6-31g(d).inp

000101140.b3lyp_6-31g(d).qchem.inp (generated)

000101140.b3lyp_6-31g(d).gjf (generated)

000101140.b3lyp_6-31g(d).firefly.inp (generated)

000101140.b3lyp_6-31g(d).smash.inp (generated)

000101140.b3lyp_6-31g(d).nwchem.inp (generated) 000101140.b3lyp_6-31g(d).log.xz 000101140.td-b3lyp_6-31g+(d).inp 000101140.td-b3lyp_6-31g+(d).log.xz

000101140.td-b3lyp_6-31+g(d).qchem.inp (generated)

000101140.td-b3lyp_6-31+g(d).gjf (generated)

000101140.td-b3lyp_6-31+g(d).firefly.inp (generated)

000101140.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000101140.mol 000101140.PUBCHEM 000101140.mol (via Jmol)
000101144.b3lyp_6-31g(d).inp

000101144.b3lyp_6-31g(d).qchem.inp (generated)

000101144.b3lyp_6-31g(d).gjf (generated)

000101144.b3lyp_6-31g(d).firefly.inp (generated)

000101144.b3lyp_6-31g(d).smash.inp (generated)

000101144.b3lyp_6-31g(d).nwchem.inp (generated) 000101144.b3lyp_6-31g(d).log.xz 000101144.td-b3lyp_6-31g+(d).inp 000101144.td-b3lyp_6-31g+(d).log.xz

000101144.td-b3lyp_6-31+g(d).qchem.inp (generated)

000101144.td-b3lyp_6-31+g(d).gjf (generated)

000101144.td-b3lyp_6-31+g(d).firefly.inp (generated)

000101144.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000101144.mol 000101144.PUBCHEM 000101144.mol (via Jmol)
000101145.b3lyp_6-31g(d).inp

000101145.b3lyp_6-31g(d).qchem.inp (generated)

000101145.b3lyp_6-31g(d).gjf (generated)

000101145.b3lyp_6-31g(d).firefly.inp (generated)

000101145.b3lyp_6-31g(d).smash.inp (generated)

000101145.b3lyp_6-31g(d).nwchem.inp (generated) 000101145.b3lyp_6-31g(d).log.xz 000101145.td-b3lyp_6-31g+(d).inp 000101145.td-b3lyp_6-31g+(d).log.xz

000101145.td-b3lyp_6-31+g(d).qchem.inp (generated)

000101145.td-b3lyp_6-31+g(d).gjf (generated)

000101145.td-b3lyp_6-31+g(d).firefly.inp (generated)

000101145.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000101145.mol 000101145.PUBCHEM 000101145.mol (via Jmol)
000101147.b3lyp_6-31g(d).inp

000101147.b3lyp_6-31g(d).qchem.inp (generated)

000101147.b3lyp_6-31g(d).gjf (generated)

000101147.b3lyp_6-31g(d).firefly.inp (generated)

000101147.b3lyp_6-31g(d).smash.inp (generated)

000101147.b3lyp_6-31g(d).nwchem.inp (generated) 000101147.b3lyp_6-31g(d).log.xz 000101147.td-b3lyp_6-31g+(d).inp 000101147.td-b3lyp_6-31g+(d).log.xz

000101147.td-b3lyp_6-31+g(d).qchem.inp (generated)

000101147.td-b3lyp_6-31+g(d).gjf (generated)

000101147.td-b3lyp_6-31+g(d).firefly.inp (generated)

000101147.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000101147.mol 000101147.PUBCHEM 000101147.mol (via Jmol)
000101148.b3lyp_6-31g(d).inp

000101148.b3lyp_6-31g(d).qchem.inp (generated)

000101148.b3lyp_6-31g(d).gjf (generated)

000101148.b3lyp_6-31g(d).firefly.inp (generated)

000101148.b3lyp_6-31g(d).smash.inp (generated)

000101148.b3lyp_6-31g(d).nwchem.inp (generated) 000101148.b3lyp_6-31g(d).log.xz 000101148.td-b3lyp_6-31g+(d).inp 000101148.td-b3lyp_6-31g+(d).log.xz

000101148.td-b3lyp_6-31+g(d).qchem.inp (generated)

000101148.td-b3lyp_6-31+g(d).gjf (generated)

000101148.td-b3lyp_6-31+g(d).firefly.inp (generated)

000101148.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000101148.mol 000101148.PUBCHEM 000101148.mol (via Jmol)
000101149.b3lyp_6-31g(d).inp

000101149.b3lyp_6-31g(d).qchem.inp (generated)

000101149.b3lyp_6-31g(d).gjf (generated)

000101149.b3lyp_6-31g(d).firefly.inp (generated)

000101149.b3lyp_6-31g(d).smash.inp (generated)

000101149.b3lyp_6-31g(d).nwchem.inp (generated) 000101149.b3lyp_6-31g(d).log.xz 000101149.td-b3lyp_6-31g+(d).inp 000101149.td-b3lyp_6-31g+(d).log.xz

000101149.td-b3lyp_6-31+g(d).qchem.inp (generated)

000101149.td-b3lyp_6-31+g(d).gjf (generated)

000101149.td-b3lyp_6-31+g(d).firefly.inp (generated)

000101149.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000101149.mol 000101149.PUBCHEM 000101149.mol (via Jmol)
000101150.b3lyp_6-31g(d).inp

000101150.b3lyp_6-31g(d).qchem.inp (generated)

000101150.b3lyp_6-31g(d).gjf (generated)

000101150.b3lyp_6-31g(d).firefly.inp (generated)

000101150.b3lyp_6-31g(d).smash.inp (generated)

000101150.b3lyp_6-31g(d).nwchem.inp (generated) 000101150.b3lyp_6-31g(d).log.xz 000101150.td-b3lyp_6-31g+(d).inp 000101150.td-b3lyp_6-31g+(d).log.xz

000101150.td-b3lyp_6-31+g(d).qchem.inp (generated)

000101150.td-b3lyp_6-31+g(d).gjf (generated)

000101150.td-b3lyp_6-31+g(d).firefly.inp (generated)

000101150.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000101150.mol 000101150.PUBCHEM 000101150.mol (via Jmol)
000101151.b3lyp_6-31g(d).inp

000101151.b3lyp_6-31g(d).qchem.inp (generated)

000101151.b3lyp_6-31g(d).gjf (generated)

000101151.b3lyp_6-31g(d).firefly.inp (generated)

000101151.b3lyp_6-31g(d).smash.inp (generated)

000101151.b3lyp_6-31g(d).nwchem.inp (generated) 000101151.b3lyp_6-31g(d).log.xz 000101151.td-b3lyp_6-31g+(d).inp 000101151.td-b3lyp_6-31g+(d).log.xz

000101151.td-b3lyp_6-31+g(d).qchem.inp (generated)

000101151.td-b3lyp_6-31+g(d).gjf (generated)

000101151.td-b3lyp_6-31+g(d).firefly.inp (generated)

000101151.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000101151.mol 000101151.PUBCHEM 000101151.mol (via Jmol)
000101152.b3lyp_6-31g(d).inp

000101152.b3lyp_6-31g(d).qchem.inp (generated)

000101152.b3lyp_6-31g(d).gjf (generated)

000101152.b3lyp_6-31g(d).firefly.inp (generated)

000101152.b3lyp_6-31g(d).smash.inp (generated)

000101152.b3lyp_6-31g(d).nwchem.inp (generated) 000101152.b3lyp_6-31g(d).log.xz 000101152.td-b3lyp_6-31g+(d).inp 000101152.td-b3lyp_6-31g+(d).log.xz

000101152.td-b3lyp_6-31+g(d).qchem.inp (generated)

000101152.td-b3lyp_6-31+g(d).gjf (generated)

000101152.td-b3lyp_6-31+g(d).firefly.inp (generated)

000101152.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000101152.mol 000101152.PUBCHEM 000101152.mol (via Jmol)
000101153.b3lyp_6-31g(d).inp

000101153.b3lyp_6-31g(d).qchem.inp (generated)

000101153.b3lyp_6-31g(d).gjf (generated)

000101153.b3lyp_6-31g(d).firefly.inp (generated)

000101153.b3lyp_6-31g(d).smash.inp (generated)

000101153.b3lyp_6-31g(d).nwchem.inp (generated) 000101153.b3lyp_6-31g(d).log.xz 000101153.td-b3lyp_6-31g+(d).inp 000101153.td-b3lyp_6-31g+(d).log.xz

000101153.td-b3lyp_6-31+g(d).qchem.inp (generated)

000101153.td-b3lyp_6-31+g(d).gjf (generated)

000101153.td-b3lyp_6-31+g(d).firefly.inp (generated)

000101153.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000101153.mol 000101153.PUBCHEM 000101153.mol (via Jmol)
000101155.b3lyp_6-31g(d).inp

000101155.b3lyp_6-31g(d).qchem.inp (generated)

000101155.b3lyp_6-31g(d).gjf (generated)

000101155.b3lyp_6-31g(d).firefly.inp (generated)

000101155.b3lyp_6-31g(d).smash.inp (generated)

000101155.b3lyp_6-31g(d).nwchem.inp (generated) 000101155.b3lyp_6-31g(d).log.xz 000101155.td-b3lyp_6-31g+(d).inp 000101155.td-b3lyp_6-31g+(d).log.xz

000101155.td-b3lyp_6-31+g(d).qchem.inp (generated)

000101155.td-b3lyp_6-31+g(d).gjf (generated)

000101155.td-b3lyp_6-31+g(d).firefly.inp (generated)

000101155.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000101155.mol 000101155.PUBCHEM 000101155.mol (via Jmol)
000101158.b3lyp_6-31g(d).inp

000101158.b3lyp_6-31g(d).qchem.inp (generated)

000101158.b3lyp_6-31g(d).gjf (generated)

000101158.b3lyp_6-31g(d).firefly.inp (generated)

000101158.b3lyp_6-31g(d).smash.inp (generated)

000101158.b3lyp_6-31g(d).nwchem.inp (generated) 000101158.b3lyp_6-31g(d).log.xz 000101158.td-b3lyp_6-31g+(d).inp 000101158.td-b3lyp_6-31g+(d).log.xz

000101158.td-b3lyp_6-31+g(d).qchem.inp (generated)

000101158.td-b3lyp_6-31+g(d).gjf (generated)

000101158.td-b3lyp_6-31+g(d).firefly.inp (generated)

000101158.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000101158.mol 000101158.PUBCHEM 000101158.mol (via Jmol)
000101159.b3lyp_6-31g(d).inp

000101159.b3lyp_6-31g(d).qchem.inp (generated)

000101159.b3lyp_6-31g(d).gjf (generated)

000101159.b3lyp_6-31g(d).firefly.inp (generated)

000101159.b3lyp_6-31g(d).smash.inp (generated)

000101159.b3lyp_6-31g(d).nwchem.inp (generated) 000101159.b3lyp_6-31g(d).log.xz 000101159.td-b3lyp_6-31g+(d).inp 000101159.td-b3lyp_6-31g+(d).log.xz

000101159.td-b3lyp_6-31+g(d).qchem.inp (generated)

000101159.td-b3lyp_6-31+g(d).gjf (generated)

000101159.td-b3lyp_6-31+g(d).firefly.inp (generated)

000101159.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000101159.mol 000101159.PUBCHEM 000101159.mol (via Jmol)
000101161.b3lyp_6-31g(d).inp

000101161.b3lyp_6-31g(d).qchem.inp (generated)

000101161.b3lyp_6-31g(d).gjf (generated)

000101161.b3lyp_6-31g(d).firefly.inp (generated)

000101161.b3lyp_6-31g(d).smash.inp (generated)

000101161.b3lyp_6-31g(d).nwchem.inp (generated) 000101161.b3lyp_6-31g(d).log.xz 000101161.td-b3lyp_6-31g+(d).inp 000101161.td-b3lyp_6-31g+(d).log.xz

000101161.td-b3lyp_6-31+g(d).qchem.inp (generated)

000101161.td-b3lyp_6-31+g(d).gjf (generated)

000101161.td-b3lyp_6-31+g(d).firefly.inp (generated)

000101161.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000101161.mol 000101161.PUBCHEM 000101161.mol (via Jmol)
000101162.b3lyp_6-31g(d).inp

000101162.b3lyp_6-31g(d).qchem.inp (generated)

000101162.b3lyp_6-31g(d).gjf (generated)

000101162.b3lyp_6-31g(d).firefly.inp (generated)

000101162.b3lyp_6-31g(d).smash.inp (generated)

000101162.b3lyp_6-31g(d).nwchem.inp (generated) 000101162.b3lyp_6-31g(d).log.xz 000101162.td-b3lyp_6-31g+(d).inp 000101162.td-b3lyp_6-31g+(d).log.xz

000101162.td-b3lyp_6-31+g(d).qchem.inp (generated)

000101162.td-b3lyp_6-31+g(d).gjf (generated)

000101162.td-b3lyp_6-31+g(d).firefly.inp (generated)

000101162.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000101162.mol 000101162.PUBCHEM 000101162.mol (via Jmol)
000101163.b3lyp_6-31g(d).inp

000101163.b3lyp_6-31g(d).qchem.inp (generated)

000101163.b3lyp_6-31g(d).gjf (generated)

000101163.b3lyp_6-31g(d).firefly.inp (generated)

000101163.b3lyp_6-31g(d).smash.inp (generated)

000101163.b3lyp_6-31g(d).nwchem.inp (generated) 000101163.b3lyp_6-31g(d).log.xz 000101163.td-b3lyp_6-31g+(d).inp 000101163.td-b3lyp_6-31g+(d).log.xz

000101163.td-b3lyp_6-31+g(d).qchem.inp (generated)

000101163.td-b3lyp_6-31+g(d).gjf (generated)

000101163.td-b3lyp_6-31+g(d).firefly.inp (generated)

000101163.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000101163.mol 000101163.PUBCHEM 000101163.mol (via Jmol)
000101164.b3lyp_6-31g(d).inp

000101164.b3lyp_6-31g(d).qchem.inp (generated)

000101164.b3lyp_6-31g(d).gjf (generated)

000101164.b3lyp_6-31g(d).firefly.inp (generated)

000101164.b3lyp_6-31g(d).smash.inp (generated)

000101164.b3lyp_6-31g(d).nwchem.inp (generated) 000101164.b3lyp_6-31g(d).log.xz 000101164.td-b3lyp_6-31g+(d).inp 000101164.td-b3lyp_6-31g+(d).log.xz

000101164.td-b3lyp_6-31+g(d).qchem.inp (generated)

000101164.td-b3lyp_6-31+g(d).gjf (generated)

000101164.td-b3lyp_6-31+g(d).firefly.inp (generated)

000101164.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000101164.mol 000101164.PUBCHEM 000101164.mol (via Jmol)
000101169.b3lyp_6-31g(d).inp

000101169.b3lyp_6-31g(d).qchem.inp (generated)

000101169.b3lyp_6-31g(d).gjf (generated)

000101169.b3lyp_6-31g(d).firefly.inp (generated)

000101169.b3lyp_6-31g(d).smash.inp (generated)

000101169.b3lyp_6-31g(d).nwchem.inp (generated) 000101169.b3lyp_6-31g(d).log.xz 000101169.td-b3lyp_6-31g+(d).inp 000101169.td-b3lyp_6-31g+(d).log.xz

000101169.td-b3lyp_6-31+g(d).qchem.inp (generated)

000101169.td-b3lyp_6-31+g(d).gjf (generated)

000101169.td-b3lyp_6-31+g(d).firefly.inp (generated)

000101169.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000101169.mol 000101169.PUBCHEM 000101169.mol (via Jmol)
000101171.b3lyp_6-31g(d).inp

000101171.b3lyp_6-31g(d).qchem.inp (generated)

000101171.b3lyp_6-31g(d).gjf (generated)

000101171.b3lyp_6-31g(d).firefly.inp (generated)

000101171.b3lyp_6-31g(d).smash.inp (generated)

000101171.b3lyp_6-31g(d).nwchem.inp (generated) 000101171.b3lyp_6-31g(d).log.xz 000101171.td-b3lyp_6-31g+(d).inp 000101171.td-b3lyp_6-31g+(d).log.xz

000101171.td-b3lyp_6-31+g(d).qchem.inp (generated)

000101171.td-b3lyp_6-31+g(d).gjf (generated)

000101171.td-b3lyp_6-31+g(d).firefly.inp (generated)

000101171.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000101171.mol 000101171.PUBCHEM 000101171.mol (via Jmol)
000101172.b3lyp_6-31g(d).inp

000101172.b3lyp_6-31g(d).qchem.inp (generated)

000101172.b3lyp_6-31g(d).gjf (generated)

000101172.b3lyp_6-31g(d).firefly.inp (generated)

000101172.b3lyp_6-31g(d).smash.inp (generated)

000101172.b3lyp_6-31g(d).nwchem.inp (generated) 000101172.b3lyp_6-31g(d).log.xz 000101172.td-b3lyp_6-31g+(d).inp 000101172.td-b3lyp_6-31g+(d).log.xz

000101172.td-b3lyp_6-31+g(d).qchem.inp (generated)

000101172.td-b3lyp_6-31+g(d).gjf (generated)

000101172.td-b3lyp_6-31+g(d).firefly.inp (generated)

000101172.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000101172.mol 000101172.PUBCHEM 000101172.mol (via Jmol)
000101173.b3lyp_6-31g(d).inp

000101173.b3lyp_6-31g(d).qchem.inp (generated)

000101173.b3lyp_6-31g(d).gjf (generated)

000101173.b3lyp_6-31g(d).firefly.inp (generated)

000101173.b3lyp_6-31g(d).smash.inp (generated)

000101173.b3lyp_6-31g(d).nwchem.inp (generated) 000101173.b3lyp_6-31g(d).log.xz 000101173.td-b3lyp_6-31g+(d).inp 000101173.td-b3lyp_6-31g+(d).log.xz

000101173.td-b3lyp_6-31+g(d).qchem.inp (generated)

000101173.td-b3lyp_6-31+g(d).gjf (generated)

000101173.td-b3lyp_6-31+g(d).firefly.inp (generated)

000101173.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000101173.mol 000101173.PUBCHEM 000101173.mol (via Jmol)
000101174.b3lyp_6-31g(d).inp

000101174.b3lyp_6-31g(d).qchem.inp (generated)

000101174.b3lyp_6-31g(d).gjf (generated)

000101174.b3lyp_6-31g(d).firefly.inp (generated)

000101174.b3lyp_6-31g(d).smash.inp (generated)

000101174.b3lyp_6-31g(d).nwchem.inp (generated) 000101174.b3lyp_6-31g(d).log.xz 000101174.td-b3lyp_6-31g+(d).inp 000101174.td-b3lyp_6-31g+(d).log.xz

000101174.td-b3lyp_6-31+g(d).qchem.inp (generated)

000101174.td-b3lyp_6-31+g(d).gjf (generated)

000101174.td-b3lyp_6-31+g(d).firefly.inp (generated)

000101174.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000101174.mol 000101174.PUBCHEM 000101174.mol (via Jmol)
000101175.b3lyp_6-31g(d).inp

000101175.b3lyp_6-31g(d).qchem.inp (generated)

000101175.b3lyp_6-31g(d).gjf (generated)

000101175.b3lyp_6-31g(d).firefly.inp (generated)

000101175.b3lyp_6-31g(d).smash.inp (generated)

000101175.b3lyp_6-31g(d).nwchem.inp (generated) 000101175.b3lyp_6-31g(d).log.xz 000101175.td-b3lyp_6-31g+(d).inp 000101175.td-b3lyp_6-31g+(d).log.xz

000101175.td-b3lyp_6-31+g(d).qchem.inp (generated)

000101175.td-b3lyp_6-31+g(d).gjf (generated)

000101175.td-b3lyp_6-31+g(d).firefly.inp (generated)

000101175.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000101175.mol 000101175.PUBCHEM 000101175.mol (via Jmol)
000101177.b3lyp_6-31g(d).inp

000101177.b3lyp_6-31g(d).qchem.inp (generated)

000101177.b3lyp_6-31g(d).gjf (generated)

000101177.b3lyp_6-31g(d).firefly.inp (generated)

000101177.b3lyp_6-31g(d).smash.inp (generated)

000101177.b3lyp_6-31g(d).nwchem.inp (generated) 000101177.b3lyp_6-31g(d).log.xz 000101177.td-b3lyp_6-31g+(d).inp 000101177.td-b3lyp_6-31g+(d).log.xz

000101177.td-b3lyp_6-31+g(d).qchem.inp (generated)

000101177.td-b3lyp_6-31+g(d).gjf (generated)

000101177.td-b3lyp_6-31+g(d).firefly.inp (generated)

000101177.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000101177.mol 000101177.PUBCHEM 000101177.mol (via Jmol)
000101178.b3lyp_6-31g(d).inp

000101178.b3lyp_6-31g(d).qchem.inp (generated)

000101178.b3lyp_6-31g(d).gjf (generated)

000101178.b3lyp_6-31g(d).firefly.inp (generated)

000101178.b3lyp_6-31g(d).smash.inp (generated)

000101178.b3lyp_6-31g(d).nwchem.inp (generated) 000101178.b3lyp_6-31g(d).log.xz 000101178.td-b3lyp_6-31g+(d).inp 000101178.td-b3lyp_6-31g+(d).log.xz

000101178.td-b3lyp_6-31+g(d).qchem.inp (generated)

000101178.td-b3lyp_6-31+g(d).gjf (generated)

000101178.td-b3lyp_6-31+g(d).firefly.inp (generated)

000101178.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000101178.mol 000101178.PUBCHEM 000101178.mol (via Jmol)
000101179.b3lyp_6-31g(d).inp

000101179.b3lyp_6-31g(d).qchem.inp (generated)

000101179.b3lyp_6-31g(d).gjf (generated)

000101179.b3lyp_6-31g(d).firefly.inp (generated)

000101179.b3lyp_6-31g(d).smash.inp (generated)

000101179.b3lyp_6-31g(d).nwchem.inp (generated) 000101179.b3lyp_6-31g(d).log.xz 000101179.td-b3lyp_6-31g+(d).inp 000101179.td-b3lyp_6-31g+(d).log.xz

000101179.td-b3lyp_6-31+g(d).qchem.inp (generated)

000101179.td-b3lyp_6-31+g(d).gjf (generated)

000101179.td-b3lyp_6-31+g(d).firefly.inp (generated)

000101179.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000101179.mol 000101179.PUBCHEM 000101179.mol (via Jmol)
000101180.b3lyp_6-31g(d).inp

000101180.b3lyp_6-31g(d).qchem.inp (generated)

000101180.b3lyp_6-31g(d).gjf (generated)

000101180.b3lyp_6-31g(d).firefly.inp (generated)

000101180.b3lyp_6-31g(d).smash.inp (generated)

000101180.b3lyp_6-31g(d).nwchem.inp (generated) 000101180.b3lyp_6-31g(d).log.xz 000101180.td-b3lyp_6-31g+(d).inp 000101180.td-b3lyp_6-31g+(d).log.xz

000101180.td-b3lyp_6-31+g(d).qchem.inp (generated)

000101180.td-b3lyp_6-31+g(d).gjf (generated)

000101180.td-b3lyp_6-31+g(d).firefly.inp (generated)

000101180.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000101180.mol 000101180.PUBCHEM 000101180.mol (via Jmol)
000101181.b3lyp_6-31g(d).inp

000101181.b3lyp_6-31g(d).qchem.inp (generated)

000101181.b3lyp_6-31g(d).gjf (generated)

000101181.b3lyp_6-31g(d).firefly.inp (generated)

000101181.b3lyp_6-31g(d).smash.inp (generated)

000101181.b3lyp_6-31g(d).nwchem.inp (generated) 000101181.b3lyp_6-31g(d).log.xz 000101181.td-b3lyp_6-31g+(d).inp 000101181.td-b3lyp_6-31g+(d).log.xz

000101181.td-b3lyp_6-31+g(d).qchem.inp (generated)

000101181.td-b3lyp_6-31+g(d).gjf (generated)

000101181.td-b3lyp_6-31+g(d).firefly.inp (generated)

000101181.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000101181.mol 000101181.PUBCHEM 000101181.mol (via Jmol)
000101182.b3lyp_6-31g(d).inp

000101182.b3lyp_6-31g(d).qchem.inp (generated)

000101182.b3lyp_6-31g(d).gjf (generated)

000101182.b3lyp_6-31g(d).firefly.inp (generated)

000101182.b3lyp_6-31g(d).smash.inp (generated)

000101182.b3lyp_6-31g(d).nwchem.inp (generated) 000101182.b3lyp_6-31g(d).log.xz 000101182.td-b3lyp_6-31g+(d).inp 000101182.td-b3lyp_6-31g+(d).log.xz

000101182.td-b3lyp_6-31+g(d).qchem.inp (generated)

000101182.td-b3lyp_6-31+g(d).gjf (generated)

000101182.td-b3lyp_6-31+g(d).firefly.inp (generated)

000101182.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000101182.mol 000101182.PUBCHEM 000101182.mol (via Jmol)
000101184.b3lyp_6-31g(d).inp

000101184.b3lyp_6-31g(d).qchem.inp (generated)

000101184.b3lyp_6-31g(d).gjf (generated)

000101184.b3lyp_6-31g(d).firefly.inp (generated)

000101184.b3lyp_6-31g(d).smash.inp (generated)

000101184.b3lyp_6-31g(d).nwchem.inp (generated) 000101184.b3lyp_6-31g(d).log.xz 000101184.td-b3lyp_6-31g+(d).inp 000101184.td-b3lyp_6-31g+(d).log.xz

000101184.td-b3lyp_6-31+g(d).qchem.inp (generated)

000101184.td-b3lyp_6-31+g(d).gjf (generated)

000101184.td-b3lyp_6-31+g(d).firefly.inp (generated)

000101184.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000101184.mol 000101184.PUBCHEM 000101184.mol (via Jmol)
000101186.b3lyp_6-31g(d).inp

000101186.b3lyp_6-31g(d).qchem.inp (generated)

000101186.b3lyp_6-31g(d).gjf (generated)

000101186.b3lyp_6-31g(d).firefly.inp (generated)

000101186.b3lyp_6-31g(d).smash.inp (generated)

000101186.b3lyp_6-31g(d).nwchem.inp (generated) 000101186.b3lyp_6-31g(d).log.xz 000101186.td-b3lyp_6-31g+(d).inp 000101186.td-b3lyp_6-31g+(d).log.xz

000101186.td-b3lyp_6-31+g(d).qchem.inp (generated)

000101186.td-b3lyp_6-31+g(d).gjf (generated)

000101186.td-b3lyp_6-31+g(d).firefly.inp (generated)

000101186.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000101186.mol 000101186.PUBCHEM 000101186.mol (via Jmol)
000101187.b3lyp_6-31g(d).inp

000101187.b3lyp_6-31g(d).qchem.inp (generated)

000101187.b3lyp_6-31g(d).gjf (generated)

000101187.b3lyp_6-31g(d).firefly.inp (generated)

000101187.b3lyp_6-31g(d).smash.inp (generated)

000101187.b3lyp_6-31g(d).nwchem.inp (generated) 000101187.b3lyp_6-31g(d).log.xz 000101187.td-b3lyp_6-31g+(d).inp 000101187.td-b3lyp_6-31g+(d).log.xz

000101187.td-b3lyp_6-31+g(d).qchem.inp (generated)

000101187.td-b3lyp_6-31+g(d).gjf (generated)

000101187.td-b3lyp_6-31+g(d).firefly.inp (generated)

000101187.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000101187.mol 000101187.PUBCHEM 000101187.mol (via Jmol)