Index of

Last updated : Thu Aug 17 01:52:36 JST 2017
Total : 17593 (17446) in this page
000000000.b3lyp_6-31g(d).inp

000000000.b3lyp_6-31g(d).qchem.inp (generated)

000000000.b3lyp_6-31g(d).gjf (generated)

000000000.b3lyp_6-31g(d).firefly.inp (generated)

000000000.b3lyp_6-31g(d).smash.inp (generated)

000000000.b3lyp_6-31g(d).nwchem.inp (generated) 000000000.b3lyp_6-31g(d).log.xz 000000000.td-b3lyp_6-31g+(d).inp 000000000.td-b3lyp_6-31g+(d).log.xz

000000000.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000000.td-b3lyp_6-31+g(d).gjf (generated)

000000000.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000000.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000000.mol 000000000.PUBCHEM 000000000.mol (via Jmol)
000000001.b3lyp_6-31g(d).inp

000000001.b3lyp_6-31g(d).qchem.inp (generated)

000000001.b3lyp_6-31g(d).gjf (generated)

000000001.b3lyp_6-31g(d).firefly.inp (generated)

000000001.b3lyp_6-31g(d).smash.inp (generated)

000000001.b3lyp_6-31g(d).nwchem.inp (generated) 000000001.b3lyp_6-31g(d).log.xz 000000001.td-b3lyp_6-31g+(d).inp 000000001.td-b3lyp_6-31g+(d).log.xz

000000001.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000001.td-b3lyp_6-31+g(d).gjf (generated)

000000001.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000001.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000001.mol 000000001.PUBCHEM 000000001.mol (via Jmol)
000000002.b3lyp_6-31g(d).inp

000000002.b3lyp_6-31g(d).qchem.inp (generated)

000000002.b3lyp_6-31g(d).gjf (generated)

000000002.b3lyp_6-31g(d).firefly.inp (generated)

000000002.b3lyp_6-31g(d).smash.inp (generated)

000000002.b3lyp_6-31g(d).nwchem.inp (generated) 000000002.b3lyp_6-31g(d).log.xz 000000002.td-b3lyp_6-31g+(d).inp 000000002.td-b3lyp_6-31g+(d).log.xz

000000002.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000002.td-b3lyp_6-31+g(d).gjf (generated)

000000002.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000002.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000002.mol 000000002.PUBCHEM 000000002.mol (via Jmol)
000000003.b3lyp_6-31g(d).inp

000000003.b3lyp_6-31g(d).qchem.inp (generated)

000000003.b3lyp_6-31g(d).gjf (generated)

000000003.b3lyp_6-31g(d).firefly.inp (generated)

000000003.b3lyp_6-31g(d).smash.inp (generated)

000000003.b3lyp_6-31g(d).nwchem.inp (generated) 000000003.b3lyp_6-31g(d).log.xz 000000003.td-b3lyp_6-31g+(d).inp 000000003.td-b3lyp_6-31g+(d).log.xz

000000003.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000003.td-b3lyp_6-31+g(d).gjf (generated)

000000003.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000003.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000003.mol 000000003.PUBCHEM 000000003.mol (via Jmol)
000000004.b3lyp_6-31g(d).inp

000000004.b3lyp_6-31g(d).qchem.inp (generated)

000000004.b3lyp_6-31g(d).gjf (generated)

000000004.b3lyp_6-31g(d).firefly.inp (generated)

000000004.b3lyp_6-31g(d).smash.inp (generated)

000000004.b3lyp_6-31g(d).nwchem.inp (generated) 000000004.b3lyp_6-31g(d).log.xz 000000004.td-b3lyp_6-31g+(d).inp 000000004.td-b3lyp_6-31g+(d).log.xz

000000004.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000004.td-b3lyp_6-31+g(d).gjf (generated)

000000004.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000004.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000004.mol 000000004.PUBCHEM 000000004.mol (via Jmol)
000000005.b3lyp_6-31g(d).inp

000000005.b3lyp_6-31g(d).qchem.inp (generated)

000000005.b3lyp_6-31g(d).gjf (generated)

000000005.b3lyp_6-31g(d).firefly.inp (generated)

000000005.b3lyp_6-31g(d).smash.inp (generated)

000000005.b3lyp_6-31g(d).nwchem.inp (generated) 000000005.b3lyp_6-31g(d).log.xz 000000005.td-b3lyp_6-31g+(d).inp 000000005.td-b3lyp_6-31g+(d).log.xz

000000005.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000005.td-b3lyp_6-31+g(d).gjf (generated)

000000005.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000005.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000005.mol 000000005.PUBCHEM 000000005.mol (via Jmol)
000000006.b3lyp_6-31g(d).inp

000000006.b3lyp_6-31g(d).qchem.inp (generated)

000000006.b3lyp_6-31g(d).gjf (generated)

000000006.b3lyp_6-31g(d).firefly.inp (generated)

000000006.b3lyp_6-31g(d).smash.inp (generated)

000000006.b3lyp_6-31g(d).nwchem.inp (generated) 000000006.b3lyp_6-31g(d).log.xz 000000006.td-b3lyp_6-31g+(d).inp 000000006.td-b3lyp_6-31g+(d).log.xz

000000006.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000006.td-b3lyp_6-31+g(d).gjf (generated)

000000006.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000006.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000006.mol 000000006.PUBCHEM 000000006.mol (via Jmol)
000000007.b3lyp_6-31g(d).inp

000000007.b3lyp_6-31g(d).qchem.inp (generated)

000000007.b3lyp_6-31g(d).gjf (generated)

000000007.b3lyp_6-31g(d).firefly.inp (generated)

000000007.b3lyp_6-31g(d).smash.inp (generated)

000000007.b3lyp_6-31g(d).nwchem.inp (generated) 000000007.b3lyp_6-31g(d).log.xz 000000007.td-b3lyp_6-31g+(d).inp 000000007.td-b3lyp_6-31g+(d).log.xz

000000007.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000007.td-b3lyp_6-31+g(d).gjf (generated)

000000007.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000007.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000007.mol 000000007.PUBCHEM 000000007.mol (via Jmol)
000000008.b3lyp_6-31g(d).inp

000000008.b3lyp_6-31g(d).qchem.inp (generated)

000000008.b3lyp_6-31g(d).gjf (generated)

000000008.b3lyp_6-31g(d).firefly.inp (generated)

000000008.b3lyp_6-31g(d).smash.inp (generated)

000000008.b3lyp_6-31g(d).nwchem.inp (generated) 000000008.b3lyp_6-31g(d).log.xz 000000008.td-b3lyp_6-31g+(d).inp 000000008.td-b3lyp_6-31g+(d).log.xz

000000008.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000008.td-b3lyp_6-31+g(d).gjf (generated)

000000008.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000008.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000008.mol 000000008.PUBCHEM 000000008.mol (via Jmol)
000000009.b3lyp_6-31g(d).inp

000000009.b3lyp_6-31g(d).qchem.inp (generated)

000000009.b3lyp_6-31g(d).gjf (generated)

000000009.b3lyp_6-31g(d).firefly.inp (generated)

000000009.b3lyp_6-31g(d).smash.inp (generated)

000000009.b3lyp_6-31g(d).nwchem.inp (generated) 000000009.b3lyp_6-31g(d).log.xz 000000009.td-b3lyp_6-31g+(d).inp 000000009.td-b3lyp_6-31g+(d).log.xz

000000009.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000009.td-b3lyp_6-31+g(d).gjf (generated)

000000009.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000009.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000009.mol 000000009.PUBCHEM 000000009.mol (via Jmol)
000000010.b3lyp_6-31g(d).inp

000000010.b3lyp_6-31g(d).qchem.inp (generated)

000000010.b3lyp_6-31g(d).gjf (generated)

000000010.b3lyp_6-31g(d).firefly.inp (generated)

000000010.b3lyp_6-31g(d).smash.inp (generated)

000000010.b3lyp_6-31g(d).nwchem.inp (generated) 000000010.b3lyp_6-31g(d).log.xz 000000010.td-b3lyp_6-31g+(d).inp 000000010.td-b3lyp_6-31g+(d).log.xz

000000010.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000010.td-b3lyp_6-31+g(d).gjf (generated)

000000010.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000010.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000010.mol 000000010.PUBCHEM 000000010.mol (via Jmol)
000000011.b3lyp_6-31g(d).inp

000000011.b3lyp_6-31g(d).qchem.inp (generated)

000000011.b3lyp_6-31g(d).gjf (generated)

000000011.b3lyp_6-31g(d).firefly.inp (generated)

000000011.b3lyp_6-31g(d).smash.inp (generated)

000000011.b3lyp_6-31g(d).nwchem.inp (generated) 000000011.b3lyp_6-31g(d).log.xz 000000011.td-b3lyp_6-31g+(d).inp 000000011.td-b3lyp_6-31g+(d).log.xz

000000011.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000011.td-b3lyp_6-31+g(d).gjf (generated)

000000011.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000011.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000011.mol 000000011.PUBCHEM 000000011.mol (via Jmol)
000000012.b3lyp_6-31g(d).inp

000000012.b3lyp_6-31g(d).qchem.inp (generated)

000000012.b3lyp_6-31g(d).gjf (generated)

000000012.b3lyp_6-31g(d).firefly.inp (generated)

000000012.b3lyp_6-31g(d).smash.inp (generated)

000000012.b3lyp_6-31g(d).nwchem.inp (generated) 000000012.b3lyp_6-31g(d).log.xz 000000012.td-b3lyp_6-31g+(d).inp 000000012.td-b3lyp_6-31g+(d).log.xz

000000012.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000012.td-b3lyp_6-31+g(d).gjf (generated)

000000012.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000012.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000012.mol 000000012.PUBCHEM 000000012.mol (via Jmol)
000000013.b3lyp_6-31g(d).inp

000000013.b3lyp_6-31g(d).qchem.inp (generated)

000000013.b3lyp_6-31g(d).gjf (generated)

000000013.b3lyp_6-31g(d).firefly.inp (generated)

000000013.b3lyp_6-31g(d).smash.inp (generated)

000000013.b3lyp_6-31g(d).nwchem.inp (generated) 000000013.b3lyp_6-31g(d).log.xz 000000013.td-b3lyp_6-31g+(d).inp 000000013.td-b3lyp_6-31g+(d).log.xz

000000013.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000013.td-b3lyp_6-31+g(d).gjf (generated)

000000013.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000013.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000013.mol 000000013.PUBCHEM 000000013.mol (via Jmol)
000000014.b3lyp_6-31g(d).inp

000000014.b3lyp_6-31g(d).qchem.inp (generated)

000000014.b3lyp_6-31g(d).gjf (generated)

000000014.b3lyp_6-31g(d).firefly.inp (generated)

000000014.b3lyp_6-31g(d).smash.inp (generated)

000000014.b3lyp_6-31g(d).nwchem.inp (generated) 000000014.b3lyp_6-31g(d).log.xz 000000014.td-b3lyp_6-31g+(d).inp 000000014.td-b3lyp_6-31g+(d).log.xz

000000014.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000014.td-b3lyp_6-31+g(d).gjf (generated)

000000014.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000014.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000014.mol 000000014.PUBCHEM 000000014.mol (via Jmol)
000000015.b3lyp_6-31g(d).inp

000000015.b3lyp_6-31g(d).qchem.inp (generated)

000000015.b3lyp_6-31g(d).gjf (generated)

000000015.b3lyp_6-31g(d).firefly.inp (generated)

000000015.b3lyp_6-31g(d).smash.inp (generated)

000000015.b3lyp_6-31g(d).nwchem.inp (generated) 000000015.b3lyp_6-31g(d).log.xz 000000015.td-b3lyp_6-31g+(d).inp 000000015.td-b3lyp_6-31g+(d).log.xz

000000015.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000015.td-b3lyp_6-31+g(d).gjf (generated)

000000015.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000015.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000015.mol 000000015.PUBCHEM 000000015.mol (via Jmol)
000000016.b3lyp_6-31g(d).inp

000000016.b3lyp_6-31g(d).qchem.inp (generated)

000000016.b3lyp_6-31g(d).gjf (generated)

000000016.b3lyp_6-31g(d).firefly.inp (generated)

000000016.b3lyp_6-31g(d).smash.inp (generated)

000000016.b3lyp_6-31g(d).nwchem.inp (generated) 000000016.b3lyp_6-31g(d).log.xz 000000016.td-b3lyp_6-31g+(d).inp 000000016.td-b3lyp_6-31g+(d).log.xz

000000016.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000016.td-b3lyp_6-31+g(d).gjf (generated)

000000016.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000016.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000016.mol 000000016.PUBCHEM 000000016.mol (via Jmol)
000000017.b3lyp_6-31g(d).inp

000000017.b3lyp_6-31g(d).qchem.inp (generated)

000000017.b3lyp_6-31g(d).gjf (generated)

000000017.b3lyp_6-31g(d).firefly.inp (generated)

000000017.b3lyp_6-31g(d).smash.inp (generated)

000000017.b3lyp_6-31g(d).nwchem.inp (generated) 000000017.b3lyp_6-31g(d).log.xz 000000017.td-b3lyp_6-31g+(d).inp 000000017.td-b3lyp_6-31g+(d).log.xz

000000017.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000017.td-b3lyp_6-31+g(d).gjf (generated)

000000017.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000017.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000017.mol 000000017.PUBCHEM 000000017.mol (via Jmol)
000000018.b3lyp_6-31g(d).inp

000000018.b3lyp_6-31g(d).qchem.inp (generated)

000000018.b3lyp_6-31g(d).gjf (generated)

000000018.b3lyp_6-31g(d).firefly.inp (generated)

000000018.b3lyp_6-31g(d).smash.inp (generated)

000000018.b3lyp_6-31g(d).nwchem.inp (generated) 000000018.b3lyp_6-31g(d).log.xz 000000018.td-b3lyp_6-31g+(d).inp 000000018.td-b3lyp_6-31g+(d).log.xz

000000018.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000018.td-b3lyp_6-31+g(d).gjf (generated)

000000018.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000018.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000018.mol 000000018.PUBCHEM 000000018.mol (via Jmol)
000000019.b3lyp_6-31g(d).inp

000000019.b3lyp_6-31g(d).qchem.inp (generated)

000000019.b3lyp_6-31g(d).gjf (generated)

000000019.b3lyp_6-31g(d).firefly.inp (generated)

000000019.b3lyp_6-31g(d).smash.inp (generated)

000000019.b3lyp_6-31g(d).nwchem.inp (generated) 000000019.b3lyp_6-31g(d).log.xz 000000019.td-b3lyp_6-31g+(d).inp 000000019.td-b3lyp_6-31g+(d).log.xz

000000019.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000019.td-b3lyp_6-31+g(d).gjf (generated)

000000019.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000019.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000019.mol 000000019.PUBCHEM 000000019.mol (via Jmol)
000000020.b3lyp_6-31g(d).inp

000000020.b3lyp_6-31g(d).qchem.inp (generated)

000000020.b3lyp_6-31g(d).gjf (generated)

000000020.b3lyp_6-31g(d).firefly.inp (generated)

000000020.b3lyp_6-31g(d).smash.inp (generated)

000000020.b3lyp_6-31g(d).nwchem.inp (generated) 000000020.b3lyp_6-31g(d).log.xz 000000020.td-b3lyp_6-31g+(d).inp 000000020.td-b3lyp_6-31g+(d).log.xz

000000020.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000020.td-b3lyp_6-31+g(d).gjf (generated)

000000020.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000020.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000020.mol 000000020.PUBCHEM 000000020.mol (via Jmol)
000000021.b3lyp_6-31g(d).inp

000000021.b3lyp_6-31g(d).qchem.inp (generated)

000000021.b3lyp_6-31g(d).gjf (generated)

000000021.b3lyp_6-31g(d).firefly.inp (generated)

000000021.b3lyp_6-31g(d).smash.inp (generated)

000000021.b3lyp_6-31g(d).nwchem.inp (generated) 000000021.b3lyp_6-31g(d).log.xz 000000021.td-b3lyp_6-31g+(d).inp 000000021.td-b3lyp_6-31g+(d).log.xz

000000021.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000021.td-b3lyp_6-31+g(d).gjf (generated)

000000021.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000021.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000021.mol 000000021.PUBCHEM 000000021.mol (via Jmol)
000000022.b3lyp_6-31g(d).inp

000000022.b3lyp_6-31g(d).qchem.inp (generated)

000000022.b3lyp_6-31g(d).gjf (generated)

000000022.b3lyp_6-31g(d).firefly.inp (generated)

000000022.b3lyp_6-31g(d).smash.inp (generated)

000000022.b3lyp_6-31g(d).nwchem.inp (generated) 000000022.b3lyp_6-31g(d).log.xz 000000022.td-b3lyp_6-31g+(d).inp 000000022.td-b3lyp_6-31g+(d).log.xz

000000022.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000022.td-b3lyp_6-31+g(d).gjf (generated)

000000022.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000022.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000022.mol 000000022.PUBCHEM 000000022.mol (via Jmol)
000000023.b3lyp_6-31g(d).inp

000000023.b3lyp_6-31g(d).qchem.inp (generated)

000000023.b3lyp_6-31g(d).gjf (generated)

000000023.b3lyp_6-31g(d).firefly.inp (generated)

000000023.b3lyp_6-31g(d).smash.inp (generated)

000000023.b3lyp_6-31g(d).nwchem.inp (generated) 000000023.b3lyp_6-31g(d).log.xz 000000023.td-b3lyp_6-31g+(d).inp 000000023.td-b3lyp_6-31g+(d).log.xz

000000023.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000023.td-b3lyp_6-31+g(d).gjf (generated)

000000023.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000023.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000023.mol 000000023.PUBCHEM 000000023.mol (via Jmol)
000000024.b3lyp_6-31g(d).inp

000000024.b3lyp_6-31g(d).qchem.inp (generated)

000000024.b3lyp_6-31g(d).gjf (generated)

000000024.b3lyp_6-31g(d).firefly.inp (generated)

000000024.b3lyp_6-31g(d).smash.inp (generated)

000000024.b3lyp_6-31g(d).nwchem.inp (generated) 000000024.b3lyp_6-31g(d).log.xz 000000024.td-b3lyp_6-31g+(d).inp 000000024.td-b3lyp_6-31g+(d).log.xz

000000024.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000024.td-b3lyp_6-31+g(d).gjf (generated)

000000024.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000024.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000024.mol 000000024.PUBCHEM 000000024.mol (via Jmol)
000000025.b3lyp_6-31g(d).inp

000000025.b3lyp_6-31g(d).qchem.inp (generated)

000000025.b3lyp_6-31g(d).gjf (generated)

000000025.b3lyp_6-31g(d).firefly.inp (generated)

000000025.b3lyp_6-31g(d).smash.inp (generated)

000000025.b3lyp_6-31g(d).nwchem.inp (generated) 000000025.b3lyp_6-31g(d).log.xz 000000025.td-b3lyp_6-31g+(d).inp 000000025.td-b3lyp_6-31g+(d).log.xz

000000025.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000025.td-b3lyp_6-31+g(d).gjf (generated)

000000025.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000025.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000025.mol 000000025.PUBCHEM 000000025.mol (via Jmol)
000000026.b3lyp_6-31g(d).inp

000000026.b3lyp_6-31g(d).qchem.inp (generated)

000000026.b3lyp_6-31g(d).gjf (generated)

000000026.b3lyp_6-31g(d).firefly.inp (generated)

000000026.b3lyp_6-31g(d).smash.inp (generated)

000000026.b3lyp_6-31g(d).nwchem.inp (generated) 000000026.b3lyp_6-31g(d).log.xz 000000026.td-b3lyp_6-31g+(d).inp 000000026.td-b3lyp_6-31g+(d).log.xz

000000026.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000026.td-b3lyp_6-31+g(d).gjf (generated)

000000026.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000026.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000026.mol 000000026.PUBCHEM 000000026.mol (via Jmol)
000000028.b3lyp_6-31g(d).inp

000000028.b3lyp_6-31g(d).qchem.inp (generated)

000000028.b3lyp_6-31g(d).gjf (generated)

000000028.b3lyp_6-31g(d).firefly.inp (generated)

000000028.b3lyp_6-31g(d).smash.inp (generated)

000000028.b3lyp_6-31g(d).nwchem.inp (generated) 000000028.b3lyp_6-31g(d).log.xz 000000028.td-b3lyp_6-31g+(d).inp 000000028.td-b3lyp_6-31g+(d).log.xz

000000028.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000028.td-b3lyp_6-31+g(d).gjf (generated)

000000028.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000028.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000028.mol 000000028.PUBCHEM 000000028.mol (via Jmol)
000000029.b3lyp_6-31g(d).inp

000000029.b3lyp_6-31g(d).qchem.inp (generated)

000000029.b3lyp_6-31g(d).gjf (generated)

000000029.b3lyp_6-31g(d).firefly.inp (generated)

000000029.b3lyp_6-31g(d).smash.inp (generated)

000000029.b3lyp_6-31g(d).nwchem.inp (generated) 000000029.b3lyp_6-31g(d).log.xz 000000029.td-b3lyp_6-31g+(d).inp 000000029.td-b3lyp_6-31g+(d).log.xz

000000029.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000029.td-b3lyp_6-31+g(d).gjf (generated)

000000029.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000029.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000029.mol 000000029.PUBCHEM 000000029.mol (via Jmol)
000000030.b3lyp_6-31g(d).inp

000000030.b3lyp_6-31g(d).qchem.inp (generated)

000000030.b3lyp_6-31g(d).gjf (generated)

000000030.b3lyp_6-31g(d).firefly.inp (generated)

000000030.b3lyp_6-31g(d).smash.inp (generated)

000000030.b3lyp_6-31g(d).nwchem.inp (generated) 000000030.b3lyp_6-31g(d).log.xz 000000030.td-b3lyp_6-31g+(d).inp 000000030.td-b3lyp_6-31g+(d).log.xz

000000030.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000030.td-b3lyp_6-31+g(d).gjf (generated)

000000030.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000030.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000030.mol 000000030.PUBCHEM 000000030.mol (via Jmol)
000000031.b3lyp_6-31g(d).inp

000000031.b3lyp_6-31g(d).qchem.inp (generated)

000000031.b3lyp_6-31g(d).gjf (generated)

000000031.b3lyp_6-31g(d).firefly.inp (generated)

000000031.b3lyp_6-31g(d).smash.inp (generated)

000000031.b3lyp_6-31g(d).nwchem.inp (generated) 000000031.b3lyp_6-31g(d).log.xz 000000031.td-b3lyp_6-31g+(d).inp 000000031.td-b3lyp_6-31g+(d).log.xz

000000031.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000031.td-b3lyp_6-31+g(d).gjf (generated)

000000031.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000031.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000031.mol 000000031.PUBCHEM 000000031.mol (via Jmol)
000000032.b3lyp_6-31g(d).inp

000000032.b3lyp_6-31g(d).qchem.inp (generated)

000000032.b3lyp_6-31g(d).gjf (generated)

000000032.b3lyp_6-31g(d).firefly.inp (generated)

000000032.b3lyp_6-31g(d).smash.inp (generated)

000000032.b3lyp_6-31g(d).nwchem.inp (generated) 000000032.b3lyp_6-31g(d).log.xz 000000032.td-b3lyp_6-31g+(d).inp 000000032.td-b3lyp_6-31g+(d).log.xz

000000032.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000032.td-b3lyp_6-31+g(d).gjf (generated)

000000032.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000032.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000032.mol 000000032.PUBCHEM 000000032.mol (via Jmol)
000000033.b3lyp_6-31g(d).inp

000000033.b3lyp_6-31g(d).qchem.inp (generated)

000000033.b3lyp_6-31g(d).gjf (generated)

000000033.b3lyp_6-31g(d).firefly.inp (generated)

000000033.b3lyp_6-31g(d).smash.inp (generated)

000000033.b3lyp_6-31g(d).nwchem.inp (generated) 000000033.b3lyp_6-31g(d).log.xz 000000033.td-b3lyp_6-31g+(d).inp 000000033.td-b3lyp_6-31g+(d).log.xz

000000033.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000033.td-b3lyp_6-31+g(d).gjf (generated)

000000033.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000033.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000033.mol 000000033.PUBCHEM 000000033.mol (via Jmol)
000000034.b3lyp_6-31g(d).inp

000000034.b3lyp_6-31g(d).qchem.inp (generated)

000000034.b3lyp_6-31g(d).gjf (generated)

000000034.b3lyp_6-31g(d).firefly.inp (generated)

000000034.b3lyp_6-31g(d).smash.inp (generated)

000000034.b3lyp_6-31g(d).nwchem.inp (generated) 000000034.b3lyp_6-31g(d).log.xz 000000034.td-b3lyp_6-31g+(d).inp 000000034.td-b3lyp_6-31g+(d).log.xz

000000034.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000034.td-b3lyp_6-31+g(d).gjf (generated)

000000034.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000034.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000034.mol 000000034.PUBCHEM 000000034.mol (via Jmol)
000000035.b3lyp_6-31g(d).inp

000000035.b3lyp_6-31g(d).qchem.inp (generated)

000000035.b3lyp_6-31g(d).gjf (generated)

000000035.b3lyp_6-31g(d).firefly.inp (generated)

000000035.b3lyp_6-31g(d).smash.inp (generated)

000000035.b3lyp_6-31g(d).nwchem.inp (generated) 000000035.b3lyp_6-31g(d).log.xz 000000035.td-b3lyp_6-31g+(d).inp 000000035.td-b3lyp_6-31g+(d).log.xz

000000035.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000035.td-b3lyp_6-31+g(d).gjf (generated)

000000035.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000035.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000035.mol 000000035.PUBCHEM 000000035.mol (via Jmol)
000000036.b3lyp_6-31g(d).inp

000000036.b3lyp_6-31g(d).qchem.inp (generated)

000000036.b3lyp_6-31g(d).gjf (generated)

000000036.b3lyp_6-31g(d).firefly.inp (generated)

000000036.b3lyp_6-31g(d).smash.inp (generated)

000000036.b3lyp_6-31g(d).nwchem.inp (generated) 000000036.b3lyp_6-31g(d).log.xz 000000036.td-b3lyp_6-31g+(d).inp 000000036.td-b3lyp_6-31g+(d).log.xz

000000036.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000036.td-b3lyp_6-31+g(d).gjf (generated)

000000036.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000036.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000036.mol 000000036.PUBCHEM 000000036.mol (via Jmol)
000000037.b3lyp_6-31g(d).inp

000000037.b3lyp_6-31g(d).qchem.inp (generated)

000000037.b3lyp_6-31g(d).gjf (generated)

000000037.b3lyp_6-31g(d).firefly.inp (generated)

000000037.b3lyp_6-31g(d).smash.inp (generated)

000000037.b3lyp_6-31g(d).nwchem.inp (generated) 000000037.b3lyp_6-31g(d).log.xz 000000037.td-b3lyp_6-31g+(d).inp 000000037.td-b3lyp_6-31g+(d).log.xz

000000037.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000037.td-b3lyp_6-31+g(d).gjf (generated)

000000037.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000037.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000037.mol 000000037.PUBCHEM 000000037.mol (via Jmol)
000000038.b3lyp_6-31g(d).inp

000000038.b3lyp_6-31g(d).qchem.inp (generated)

000000038.b3lyp_6-31g(d).gjf (generated)

000000038.b3lyp_6-31g(d).firefly.inp (generated)

000000038.b3lyp_6-31g(d).smash.inp (generated)

000000038.b3lyp_6-31g(d).nwchem.inp (generated) 000000038.b3lyp_6-31g(d).log.xz 000000038.td-b3lyp_6-31g+(d).inp 000000038.td-b3lyp_6-31g+(d).log.xz

000000038.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000038.td-b3lyp_6-31+g(d).gjf (generated)

000000038.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000038.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000038.mol 000000038.PUBCHEM 000000038.mol (via Jmol)
000000039.b3lyp_6-31g(d).inp

000000039.b3lyp_6-31g(d).qchem.inp (generated)

000000039.b3lyp_6-31g(d).gjf (generated)

000000039.b3lyp_6-31g(d).firefly.inp (generated)

000000039.b3lyp_6-31g(d).smash.inp (generated)

000000039.b3lyp_6-31g(d).nwchem.inp (generated) 000000039.b3lyp_6-31g(d).log.xz 000000039.td-b3lyp_6-31g+(d).inp 000000039.td-b3lyp_6-31g+(d).log.xz

000000039.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000039.td-b3lyp_6-31+g(d).gjf (generated)

000000039.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000039.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000039.mol 000000039.PUBCHEM 000000039.mol (via Jmol)
000000040.b3lyp_6-31g(d).inp

000000040.b3lyp_6-31g(d).qchem.inp (generated)

000000040.b3lyp_6-31g(d).gjf (generated)

000000040.b3lyp_6-31g(d).firefly.inp (generated)

000000040.b3lyp_6-31g(d).smash.inp (generated)

000000040.b3lyp_6-31g(d).nwchem.inp (generated) 000000040.b3lyp_6-31g(d).log.xz 000000040.td-b3lyp_6-31g+(d).inp 000000040.td-b3lyp_6-31g+(d).log.xz

000000040.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000040.td-b3lyp_6-31+g(d).gjf (generated)

000000040.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000040.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000040.mol 000000040.PUBCHEM 000000040.mol (via Jmol)
000000041.b3lyp_6-31g(d).inp

000000041.b3lyp_6-31g(d).qchem.inp (generated)

000000041.b3lyp_6-31g(d).gjf (generated)

000000041.b3lyp_6-31g(d).firefly.inp (generated)

000000041.b3lyp_6-31g(d).smash.inp (generated)

000000041.b3lyp_6-31g(d).nwchem.inp (generated) 000000041.b3lyp_6-31g(d).log.xz 000000041.td-b3lyp_6-31g+(d).inp 000000041.td-b3lyp_6-31g+(d).log.xz

000000041.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000041.td-b3lyp_6-31+g(d).gjf (generated)

000000041.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000041.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000041.mol 000000041.PUBCHEM 000000041.mol (via Jmol)
000000042.b3lyp_6-31g(d).inp

000000042.b3lyp_6-31g(d).qchem.inp (generated)

000000042.b3lyp_6-31g(d).gjf (generated)

000000042.b3lyp_6-31g(d).firefly.inp (generated)

000000042.b3lyp_6-31g(d).smash.inp (generated)

000000042.b3lyp_6-31g(d).nwchem.inp (generated) 000000042.b3lyp_6-31g(d).log.xz 000000042.td-b3lyp_6-31g+(d).inp 000000042.td-b3lyp_6-31g+(d).log.xz

000000042.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000042.td-b3lyp_6-31+g(d).gjf (generated)

000000042.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000042.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000042.mol 000000042.PUBCHEM 000000042.mol (via Jmol)
000000043.b3lyp_6-31g(d).inp

000000043.b3lyp_6-31g(d).qchem.inp (generated)

000000043.b3lyp_6-31g(d).gjf (generated)

000000043.b3lyp_6-31g(d).firefly.inp (generated)

000000043.b3lyp_6-31g(d).smash.inp (generated)

000000043.b3lyp_6-31g(d).nwchem.inp (generated) 000000043.b3lyp_6-31g(d).log.xz 000000043.td-b3lyp_6-31g+(d).inp 000000043.td-b3lyp_6-31g+(d).log.xz

000000043.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000043.td-b3lyp_6-31+g(d).gjf (generated)

000000043.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000043.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000043.mol 000000043.PUBCHEM 000000043.mol (via Jmol)
000000044.b3lyp_6-31g(d).inp

000000044.b3lyp_6-31g(d).qchem.inp (generated)

000000044.b3lyp_6-31g(d).gjf (generated)

000000044.b3lyp_6-31g(d).firefly.inp (generated)

000000044.b3lyp_6-31g(d).smash.inp (generated)

000000044.b3lyp_6-31g(d).nwchem.inp (generated) 000000044.b3lyp_6-31g(d).log.xz 000000044.td-b3lyp_6-31g+(d).inp 000000044.td-b3lyp_6-31g+(d).log.xz

000000044.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000044.td-b3lyp_6-31+g(d).gjf (generated)

000000044.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000044.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000044.mol 000000044.PUBCHEM 000000044.mol (via Jmol)
000000045.b3lyp_6-31g(d).inp

000000045.b3lyp_6-31g(d).qchem.inp (generated)

000000045.b3lyp_6-31g(d).gjf (generated)

000000045.b3lyp_6-31g(d).firefly.inp (generated)

000000045.b3lyp_6-31g(d).smash.inp (generated)

000000045.b3lyp_6-31g(d).nwchem.inp (generated) 000000045.b3lyp_6-31g(d).log.xz 000000045.td-b3lyp_6-31g+(d).inp 000000045.td-b3lyp_6-31g+(d).log.xz

000000045.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000045.td-b3lyp_6-31+g(d).gjf (generated)

000000045.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000045.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000045.mol 000000045.PUBCHEM 000000045.mol (via Jmol)
000000046.b3lyp_6-31g(d).inp

000000046.b3lyp_6-31g(d).qchem.inp (generated)

000000046.b3lyp_6-31g(d).gjf (generated)

000000046.b3lyp_6-31g(d).firefly.inp (generated)

000000046.b3lyp_6-31g(d).smash.inp (generated)

000000046.b3lyp_6-31g(d).nwchem.inp (generated) 000000046.b3lyp_6-31g(d).log.xz 000000046.td-b3lyp_6-31g+(d).inp 000000046.td-b3lyp_6-31g+(d).log.xz

000000046.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000046.td-b3lyp_6-31+g(d).gjf (generated)

000000046.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000046.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000046.mol 000000046.PUBCHEM 000000046.mol (via Jmol)
000000047.b3lyp_6-31g(d).inp

000000047.b3lyp_6-31g(d).qchem.inp (generated)

000000047.b3lyp_6-31g(d).gjf (generated)

000000047.b3lyp_6-31g(d).firefly.inp (generated)

000000047.b3lyp_6-31g(d).smash.inp (generated)

000000047.b3lyp_6-31g(d).nwchem.inp (generated) 000000047.b3lyp_6-31g(d).log.xz 000000047.td-b3lyp_6-31g+(d).inp 000000047.td-b3lyp_6-31g+(d).log.xz

000000047.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000047.td-b3lyp_6-31+g(d).gjf (generated)

000000047.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000047.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000047.mol 000000047.PUBCHEM 000000047.mol (via Jmol)
000000048.b3lyp_6-31g(d).inp

000000048.b3lyp_6-31g(d).qchem.inp (generated)

000000048.b3lyp_6-31g(d).gjf (generated)

000000048.b3lyp_6-31g(d).firefly.inp (generated)

000000048.b3lyp_6-31g(d).smash.inp (generated)

000000048.b3lyp_6-31g(d).nwchem.inp (generated) 000000048.b3lyp_6-31g(d).log.xz 000000048.td-b3lyp_6-31g+(d).inp 000000048.td-b3lyp_6-31g+(d).log.xz

000000048.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000048.td-b3lyp_6-31+g(d).gjf (generated)

000000048.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000048.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000048.mol 000000048.PUBCHEM 000000048.mol (via Jmol)
000000049.b3lyp_6-31g(d).inp

000000049.b3lyp_6-31g(d).qchem.inp (generated)

000000049.b3lyp_6-31g(d).gjf (generated)

000000049.b3lyp_6-31g(d).firefly.inp (generated)

000000049.b3lyp_6-31g(d).smash.inp (generated)

000000049.b3lyp_6-31g(d).nwchem.inp (generated) 000000049.b3lyp_6-31g(d).log.xz 000000049.td-b3lyp_6-31g+(d).inp 000000049.td-b3lyp_6-31g+(d).log.xz

000000049.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000049.td-b3lyp_6-31+g(d).gjf (generated)

000000049.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000049.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000049.mol 000000049.PUBCHEM 000000049.mol (via Jmol)
000000050.b3lyp_6-31g(d).inp

000000050.b3lyp_6-31g(d).qchem.inp (generated)

000000050.b3lyp_6-31g(d).gjf (generated)

000000050.b3lyp_6-31g(d).firefly.inp (generated)

000000050.b3lyp_6-31g(d).smash.inp (generated)

000000050.b3lyp_6-31g(d).nwchem.inp (generated) 000000050.b3lyp_6-31g(d).log.xz 000000050.td-b3lyp_6-31g+(d).inp 000000050.td-b3lyp_6-31g+(d).log.xz

000000050.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000050.td-b3lyp_6-31+g(d).gjf (generated)

000000050.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000050.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000050.mol 000000050.PUBCHEM 000000050.mol (via Jmol)
000000051.b3lyp_6-31g(d).inp

000000051.b3lyp_6-31g(d).qchem.inp (generated)

000000051.b3lyp_6-31g(d).gjf (generated)

000000051.b3lyp_6-31g(d).firefly.inp (generated)

000000051.b3lyp_6-31g(d).smash.inp (generated)

000000051.b3lyp_6-31g(d).nwchem.inp (generated) 000000051.b3lyp_6-31g(d).log.xz 000000051.td-b3lyp_6-31g+(d).inp 000000051.td-b3lyp_6-31g+(d).log.xz

000000051.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000051.td-b3lyp_6-31+g(d).gjf (generated)

000000051.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000051.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000051.mol 000000051.PUBCHEM 000000051.mol (via Jmol)
000000058.b3lyp_6-31g(d).inp

000000058.b3lyp_6-31g(d).qchem.inp (generated)

000000058.b3lyp_6-31g(d).gjf (generated)

000000058.b3lyp_6-31g(d).firefly.inp (generated)

000000058.b3lyp_6-31g(d).smash.inp (generated)

000000058.b3lyp_6-31g(d).nwchem.inp (generated) 000000058.b3lyp_6-31g(d).log.xz 000000058.td-b3lyp_6-31g+(d).inp 000000058.td-b3lyp_6-31g+(d).log.xz

000000058.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000058.td-b3lyp_6-31+g(d).gjf (generated)

000000058.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000058.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000058.mol 000000058.PUBCHEM 000000058.mol (via Jmol)
000000059.b3lyp_6-31g(d).inp

000000059.b3lyp_6-31g(d).qchem.inp (generated)

000000059.b3lyp_6-31g(d).gjf (generated)

000000059.b3lyp_6-31g(d).firefly.inp (generated)

000000059.b3lyp_6-31g(d).smash.inp (generated)

000000059.b3lyp_6-31g(d).nwchem.inp (generated) 000000059.b3lyp_6-31g(d).log.xz 000000059.td-b3lyp_6-31g+(d).inp 000000059.td-b3lyp_6-31g+(d).log.xz

000000059.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000059.td-b3lyp_6-31+g(d).gjf (generated)

000000059.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000059.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000059.mol 000000059.PUBCHEM 000000059.mol (via Jmol)
000000061.b3lyp_6-31g(d).inp

000000061.b3lyp_6-31g(d).qchem.inp (generated)

000000061.b3lyp_6-31g(d).gjf (generated)

000000061.b3lyp_6-31g(d).firefly.inp (generated)

000000061.b3lyp_6-31g(d).smash.inp (generated)

000000061.b3lyp_6-31g(d).nwchem.inp (generated) 000000061.b3lyp_6-31g(d).log.xz 000000061.td-b3lyp_6-31g+(d).inp 000000061.td-b3lyp_6-31g+(d).log.xz

000000061.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000061.td-b3lyp_6-31+g(d).gjf (generated)

000000061.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000061.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000061.mol 000000061.PUBCHEM 000000061.mol (via Jmol)
000000062.b3lyp_6-31g(d).inp

000000062.b3lyp_6-31g(d).qchem.inp (generated)

000000062.b3lyp_6-31g(d).gjf (generated)

000000062.b3lyp_6-31g(d).firefly.inp (generated)

000000062.b3lyp_6-31g(d).smash.inp (generated)

000000062.b3lyp_6-31g(d).nwchem.inp (generated) 000000062.b3lyp_6-31g(d).log.xz 000000062.td-b3lyp_6-31g+(d).inp 000000062.td-b3lyp_6-31g+(d).log.xz

000000062.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000062.td-b3lyp_6-31+g(d).gjf (generated)

000000062.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000062.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000062.mol 000000062.PUBCHEM 000000062.mol (via Jmol)
000000063.b3lyp_6-31g(d).inp

000000063.b3lyp_6-31g(d).qchem.inp (generated)

000000063.b3lyp_6-31g(d).gjf (generated)

000000063.b3lyp_6-31g(d).firefly.inp (generated)

000000063.b3lyp_6-31g(d).smash.inp (generated)

000000063.b3lyp_6-31g(d).nwchem.inp (generated) 000000063.b3lyp_6-31g(d).log.xz 000000063.td-b3lyp_6-31g+(d).inp 000000063.td-b3lyp_6-31g+(d).log.xz

000000063.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000063.td-b3lyp_6-31+g(d).gjf (generated)

000000063.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000063.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000063.mol 000000063.PUBCHEM 000000063.mol (via Jmol)
000000064.b3lyp_6-31g(d).inp

000000064.b3lyp_6-31g(d).qchem.inp (generated)

000000064.b3lyp_6-31g(d).gjf (generated)

000000064.b3lyp_6-31g(d).firefly.inp (generated)

000000064.b3lyp_6-31g(d).smash.inp (generated)

000000064.b3lyp_6-31g(d).nwchem.inp (generated) 000000064.b3lyp_6-31g(d).log.xz 000000064.td-b3lyp_6-31g+(d).inp 000000064.td-b3lyp_6-31g+(d).log.xz

000000064.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000064.td-b3lyp_6-31+g(d).gjf (generated)

000000064.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000064.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000064.mol 000000064.PUBCHEM 000000064.mol (via Jmol)
000000065.b3lyp_6-31g(d).inp

000000065.b3lyp_6-31g(d).qchem.inp (generated)

000000065.b3lyp_6-31g(d).gjf (generated)

000000065.b3lyp_6-31g(d).firefly.inp (generated)

000000065.b3lyp_6-31g(d).smash.inp (generated)

000000065.b3lyp_6-31g(d).nwchem.inp (generated) 000000065.b3lyp_6-31g(d).log.xz 000000065.td-b3lyp_6-31g+(d).inp 000000065.td-b3lyp_6-31g+(d).log.xz

000000065.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000065.td-b3lyp_6-31+g(d).gjf (generated)

000000065.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000065.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000065.mol 000000065.PUBCHEM 000000065.mol (via Jmol)
000000066.b3lyp_6-31g(d).inp

000000066.b3lyp_6-31g(d).qchem.inp (generated)

000000066.b3lyp_6-31g(d).gjf (generated)

000000066.b3lyp_6-31g(d).firefly.inp (generated)

000000066.b3lyp_6-31g(d).smash.inp (generated)

000000066.b3lyp_6-31g(d).nwchem.inp (generated) 000000066.b3lyp_6-31g(d).log.xz 000000066.td-b3lyp_6-31g+(d).inp 000000066.td-b3lyp_6-31g+(d).log.xz

000000066.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000066.td-b3lyp_6-31+g(d).gjf (generated)

000000066.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000066.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000066.mol 000000066.PUBCHEM 000000066.mol (via Jmol)
000000067.b3lyp_6-31g(d).inp

000000067.b3lyp_6-31g(d).qchem.inp (generated)

000000067.b3lyp_6-31g(d).gjf (generated)

000000067.b3lyp_6-31g(d).firefly.inp (generated)

000000067.b3lyp_6-31g(d).smash.inp (generated)

000000067.b3lyp_6-31g(d).nwchem.inp (generated) 000000067.b3lyp_6-31g(d).log.xz 000000067.td-b3lyp_6-31g+(d).inp 000000067.td-b3lyp_6-31g+(d).log.xz

000000067.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000067.td-b3lyp_6-31+g(d).gjf (generated)

000000067.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000067.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000067.mol 000000067.PUBCHEM 000000067.mol (via Jmol)
000000068.b3lyp_6-31g(d).inp

000000068.b3lyp_6-31g(d).qchem.inp (generated)

000000068.b3lyp_6-31g(d).gjf (generated)

000000068.b3lyp_6-31g(d).firefly.inp (generated)

000000068.b3lyp_6-31g(d).smash.inp (generated)

000000068.b3lyp_6-31g(d).nwchem.inp (generated) 000000068.b3lyp_6-31g(d).log.xz 000000068.td-b3lyp_6-31g+(d).inp 000000068.td-b3lyp_6-31g+(d).log.xz

000000068.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000068.td-b3lyp_6-31+g(d).gjf (generated)

000000068.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000068.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000068.mol 000000068.PUBCHEM 000000068.mol (via Jmol)
000000069.b3lyp_6-31g(d).inp

000000069.b3lyp_6-31g(d).qchem.inp (generated)

000000069.b3lyp_6-31g(d).gjf (generated)

000000069.b3lyp_6-31g(d).firefly.inp (generated)

000000069.b3lyp_6-31g(d).smash.inp (generated)

000000069.b3lyp_6-31g(d).nwchem.inp (generated) 000000069.b3lyp_6-31g(d).log.xz 000000069.td-b3lyp_6-31g+(d).inp 000000069.td-b3lyp_6-31g+(d).log.xz

000000069.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000069.td-b3lyp_6-31+g(d).gjf (generated)

000000069.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000069.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000069.mol 000000069.PUBCHEM 000000069.mol (via Jmol)
000000070.b3lyp_6-31g(d).inp

000000070.b3lyp_6-31g(d).qchem.inp (generated)

000000070.b3lyp_6-31g(d).gjf (generated)

000000070.b3lyp_6-31g(d).firefly.inp (generated)

000000070.b3lyp_6-31g(d).smash.inp (generated)

000000070.b3lyp_6-31g(d).nwchem.inp (generated) 000000070.b3lyp_6-31g(d).log.xz 000000070.td-b3lyp_6-31g+(d).inp 000000070.td-b3lyp_6-31g+(d).log.xz

000000070.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000070.td-b3lyp_6-31+g(d).gjf (generated)

000000070.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000070.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000070.mol 000000070.PUBCHEM 000000070.mol (via Jmol)
000000071.b3lyp_6-31g(d).inp

000000071.b3lyp_6-31g(d).qchem.inp (generated)

000000071.b3lyp_6-31g(d).gjf (generated)

000000071.b3lyp_6-31g(d).firefly.inp (generated)

000000071.b3lyp_6-31g(d).smash.inp (generated)

000000071.b3lyp_6-31g(d).nwchem.inp (generated) 000000071.b3lyp_6-31g(d).log.xz 000000071.td-b3lyp_6-31g+(d).inp 000000071.td-b3lyp_6-31g+(d).log.xz

000000071.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000071.td-b3lyp_6-31+g(d).gjf (generated)

000000071.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000071.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000071.mol 000000071.PUBCHEM 000000071.mol (via Jmol)
000000072.b3lyp_6-31g(d).inp

000000072.b3lyp_6-31g(d).qchem.inp (generated)

000000072.b3lyp_6-31g(d).gjf (generated)

000000072.b3lyp_6-31g(d).firefly.inp (generated)

000000072.b3lyp_6-31g(d).smash.inp (generated)

000000072.b3lyp_6-31g(d).nwchem.inp (generated) 000000072.b3lyp_6-31g(d).log.xz 000000072.td-b3lyp_6-31g+(d).inp 000000072.td-b3lyp_6-31g+(d).log.xz

000000072.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000072.td-b3lyp_6-31+g(d).gjf (generated)

000000072.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000072.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000072.mol 000000072.PUBCHEM 000000072.mol (via Jmol)
000000073.b3lyp_6-31g(d).inp

000000073.b3lyp_6-31g(d).qchem.inp (generated)

000000073.b3lyp_6-31g(d).gjf (generated)

000000073.b3lyp_6-31g(d).firefly.inp (generated)

000000073.b3lyp_6-31g(d).smash.inp (generated)

000000073.b3lyp_6-31g(d).nwchem.inp (generated) 000000073.b3lyp_6-31g(d).log.xz 000000073.td-b3lyp_6-31g+(d).inp 000000073.td-b3lyp_6-31g+(d).log.xz

000000073.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000073.td-b3lyp_6-31+g(d).gjf (generated)

000000073.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000073.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000073.mol 000000073.PUBCHEM 000000073.mol (via Jmol)
000000075.b3lyp_6-31g(d).inp

000000075.b3lyp_6-31g(d).qchem.inp (generated)

000000075.b3lyp_6-31g(d).gjf (generated)

000000075.b3lyp_6-31g(d).firefly.inp (generated)

000000075.b3lyp_6-31g(d).smash.inp (generated)

000000075.b3lyp_6-31g(d).nwchem.inp (generated) 000000075.b3lyp_6-31g(d).log.xz 000000075.td-b3lyp_6-31g+(d).inp 000000075.td-b3lyp_6-31g+(d).log.xz

000000075.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000075.td-b3lyp_6-31+g(d).gjf (generated)

000000075.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000075.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000075.mol 000000075.PUBCHEM 000000075.mol (via Jmol)
000000076.b3lyp_6-31g(d).inp

000000076.b3lyp_6-31g(d).qchem.inp (generated)

000000076.b3lyp_6-31g(d).gjf (generated)

000000076.b3lyp_6-31g(d).firefly.inp (generated)

000000076.b3lyp_6-31g(d).smash.inp (generated)

000000076.b3lyp_6-31g(d).nwchem.inp (generated) 000000076.b3lyp_6-31g(d).log.xz 000000076.td-b3lyp_6-31g+(d).inp 000000076.td-b3lyp_6-31g+(d).log.xz

000000076.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000076.td-b3lyp_6-31+g(d).gjf (generated)

000000076.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000076.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000076.mol 000000076.PUBCHEM 000000076.mol (via Jmol)
000000077.b3lyp_6-31g(d).inp

000000077.b3lyp_6-31g(d).qchem.inp (generated)

000000077.b3lyp_6-31g(d).gjf (generated)

000000077.b3lyp_6-31g(d).firefly.inp (generated)

000000077.b3lyp_6-31g(d).smash.inp (generated)

000000077.b3lyp_6-31g(d).nwchem.inp (generated) 000000077.b3lyp_6-31g(d).log.xz 000000077.td-b3lyp_6-31g+(d).inp 000000077.td-b3lyp_6-31g+(d).log.xz

000000077.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000077.td-b3lyp_6-31+g(d).gjf (generated)

000000077.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000077.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000077.mol 000000077.PUBCHEM 000000077.mol (via Jmol)
000000078.b3lyp_6-31g(d).inp

000000078.b3lyp_6-31g(d).qchem.inp (generated)

000000078.b3lyp_6-31g(d).gjf (generated)

000000078.b3lyp_6-31g(d).firefly.inp (generated)

000000078.b3lyp_6-31g(d).smash.inp (generated)

000000078.b3lyp_6-31g(d).nwchem.inp (generated) 000000078.b3lyp_6-31g(d).log.xz 000000078.td-b3lyp_6-31g+(d).inp 000000078.td-b3lyp_6-31g+(d).log.xz

000000078.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000078.td-b3lyp_6-31+g(d).gjf (generated)

000000078.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000078.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000078.mol 000000078.PUBCHEM 000000078.mol (via Jmol)
000000079.b3lyp_6-31g(d).inp

000000079.b3lyp_6-31g(d).qchem.inp (generated)

000000079.b3lyp_6-31g(d).gjf (generated)

000000079.b3lyp_6-31g(d).firefly.inp (generated)

000000079.b3lyp_6-31g(d).smash.inp (generated)

000000079.b3lyp_6-31g(d).nwchem.inp (generated) 000000079.b3lyp_6-31g(d).log.xz 000000079.td-b3lyp_6-31g+(d).inp 000000079.td-b3lyp_6-31g+(d).log.xz

000000079.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000079.td-b3lyp_6-31+g(d).gjf (generated)

000000079.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000079.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000079.mol 000000079.PUBCHEM 000000079.mol (via Jmol)
000000080.b3lyp_6-31g(d).inp

000000080.b3lyp_6-31g(d).qchem.inp (generated)

000000080.b3lyp_6-31g(d).gjf (generated)

000000080.b3lyp_6-31g(d).firefly.inp (generated)

000000080.b3lyp_6-31g(d).smash.inp (generated)

000000080.b3lyp_6-31g(d).nwchem.inp (generated) 000000080.b3lyp_6-31g(d).log.xz 000000080.td-b3lyp_6-31g+(d).inp 000000080.td-b3lyp_6-31g+(d).log.xz

000000080.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000080.td-b3lyp_6-31+g(d).gjf (generated)

000000080.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000080.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000080.mol 000000080.PUBCHEM 000000080.mol (via Jmol)
000000081.b3lyp_6-31g(d).inp

000000081.b3lyp_6-31g(d).qchem.inp (generated)

000000081.b3lyp_6-31g(d).gjf (generated)

000000081.b3lyp_6-31g(d).firefly.inp (generated)

000000081.b3lyp_6-31g(d).smash.inp (generated)

000000081.b3lyp_6-31g(d).nwchem.inp (generated) 000000081.b3lyp_6-31g(d).log.xz 000000081.td-b3lyp_6-31g+(d).inp 000000081.td-b3lyp_6-31g+(d).log.xz

000000081.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000081.td-b3lyp_6-31+g(d).gjf (generated)

000000081.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000081.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000081.mol 000000081.PUBCHEM 000000081.mol (via Jmol)
000000082.b3lyp_6-31g(d).inp

000000082.b3lyp_6-31g(d).qchem.inp (generated)

000000082.b3lyp_6-31g(d).gjf (generated)

000000082.b3lyp_6-31g(d).firefly.inp (generated)

000000082.b3lyp_6-31g(d).smash.inp (generated)

000000082.b3lyp_6-31g(d).nwchem.inp (generated) 000000082.b3lyp_6-31g(d).log.xz 000000082.td-b3lyp_6-31g+(d).inp 000000082.td-b3lyp_6-31g+(d).log.xz

000000082.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000082.td-b3lyp_6-31+g(d).gjf (generated)

000000082.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000082.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000082.mol 000000082.PUBCHEM 000000082.mol (via Jmol)
000000085.b3lyp_6-31g(d).inp

000000085.b3lyp_6-31g(d).qchem.inp (generated)

000000085.b3lyp_6-31g(d).gjf (generated)

000000085.b3lyp_6-31g(d).firefly.inp (generated)

000000085.b3lyp_6-31g(d).smash.inp (generated)

000000085.b3lyp_6-31g(d).nwchem.inp (generated) 000000085.b3lyp_6-31g(d).log.xz 000000085.td-b3lyp_6-31g+(d).inp 000000085.td-b3lyp_6-31g+(d).log.xz

000000085.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000085.td-b3lyp_6-31+g(d).gjf (generated)

000000085.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000085.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000085.mol 000000085.PUBCHEM 000000085.mol (via Jmol)
000000086.b3lyp_6-31g(d).inp

000000086.b3lyp_6-31g(d).qchem.inp (generated)

000000086.b3lyp_6-31g(d).gjf (generated)

000000086.b3lyp_6-31g(d).firefly.inp (generated)

000000086.b3lyp_6-31g(d).smash.inp (generated)

000000086.b3lyp_6-31g(d).nwchem.inp (generated) 000000086.b3lyp_6-31g(d).log.xz 000000086.td-b3lyp_6-31g+(d).inp 000000086.td-b3lyp_6-31g+(d).log.xz

000000086.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000086.td-b3lyp_6-31+g(d).gjf (generated)

000000086.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000086.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000086.mol 000000086.PUBCHEM 000000086.mol (via Jmol)
000000087.b3lyp_6-31g(d).inp

000000087.b3lyp_6-31g(d).qchem.inp (generated)

000000087.b3lyp_6-31g(d).gjf (generated)

000000087.b3lyp_6-31g(d).firefly.inp (generated)

000000087.b3lyp_6-31g(d).smash.inp (generated)

000000087.b3lyp_6-31g(d).nwchem.inp (generated) 000000087.b3lyp_6-31g(d).log.xz 000000087.td-b3lyp_6-31g+(d).inp 000000087.td-b3lyp_6-31g+(d).log.xz

000000087.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000087.td-b3lyp_6-31+g(d).gjf (generated)

000000087.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000087.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000087.mol 000000087.PUBCHEM 000000087.mol (via Jmol)
000000089.b3lyp_6-31g(d).inp

000000089.b3lyp_6-31g(d).qchem.inp (generated)

000000089.b3lyp_6-31g(d).gjf (generated)

000000089.b3lyp_6-31g(d).firefly.inp (generated)

000000089.b3lyp_6-31g(d).smash.inp (generated)

000000089.b3lyp_6-31g(d).nwchem.inp (generated) 000000089.b3lyp_6-31g(d).log.xz 000000089.td-b3lyp_6-31g+(d).inp 000000089.td-b3lyp_6-31g+(d).log.xz

000000089.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000089.td-b3lyp_6-31+g(d).gjf (generated)

000000089.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000089.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000089.mol 000000089.PUBCHEM 000000089.mol (via Jmol)
000000091.b3lyp_6-31g(d).inp

000000091.b3lyp_6-31g(d).qchem.inp (generated)

000000091.b3lyp_6-31g(d).gjf (generated)

000000091.b3lyp_6-31g(d).firefly.inp (generated)

000000091.b3lyp_6-31g(d).smash.inp (generated)

000000091.b3lyp_6-31g(d).nwchem.inp (generated) 000000091.b3lyp_6-31g(d).log.xz 000000091.td-b3lyp_6-31g+(d).inp 000000091.td-b3lyp_6-31g+(d).log.xz

000000091.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000091.td-b3lyp_6-31+g(d).gjf (generated)

000000091.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000091.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000091.mol 000000091.PUBCHEM 000000091.mol (via Jmol)
000000092.b3lyp_6-31g(d).inp

000000092.b3lyp_6-31g(d).qchem.inp (generated)

000000092.b3lyp_6-31g(d).gjf (generated)

000000092.b3lyp_6-31g(d).firefly.inp (generated)

000000092.b3lyp_6-31g(d).smash.inp (generated)

000000092.b3lyp_6-31g(d).nwchem.inp (generated) 000000092.b3lyp_6-31g(d).log.xz 000000092.td-b3lyp_6-31g+(d).inp 000000092.td-b3lyp_6-31g+(d).log.xz

000000092.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000092.td-b3lyp_6-31+g(d).gjf (generated)

000000092.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000092.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000092.mol 000000092.PUBCHEM 000000092.mol (via Jmol)
000000093.b3lyp_6-31g(d).inp

000000093.b3lyp_6-31g(d).qchem.inp (generated)

000000093.b3lyp_6-31g(d).gjf (generated)

000000093.b3lyp_6-31g(d).firefly.inp (generated)

000000093.b3lyp_6-31g(d).smash.inp (generated)

000000093.b3lyp_6-31g(d).nwchem.inp (generated) 000000093.b3lyp_6-31g(d).log.xz 000000093.td-b3lyp_6-31g+(d).inp 000000093.td-b3lyp_6-31g+(d).log.xz

000000093.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000093.td-b3lyp_6-31+g(d).gjf (generated)

000000093.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000093.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000093.mol 000000093.PUBCHEM 000000093.mol (via Jmol)
000000095.b3lyp_6-31g(d).inp

000000095.b3lyp_6-31g(d).qchem.inp (generated)

000000095.b3lyp_6-31g(d).gjf (generated)

000000095.b3lyp_6-31g(d).firefly.inp (generated)

000000095.b3lyp_6-31g(d).smash.inp (generated)

000000095.b3lyp_6-31g(d).nwchem.inp (generated) 000000095.b3lyp_6-31g(d).log.xz 000000095.td-b3lyp_6-31g+(d).inp 000000095.td-b3lyp_6-31g+(d).log.xz

000000095.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000095.td-b3lyp_6-31+g(d).gjf (generated)

000000095.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000095.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000095.mol 000000095.PUBCHEM 000000095.mol (via Jmol)
000000096.b3lyp_6-31g(d).inp

000000096.b3lyp_6-31g(d).qchem.inp (generated)

000000096.b3lyp_6-31g(d).gjf (generated)

000000096.b3lyp_6-31g(d).firefly.inp (generated)

000000096.b3lyp_6-31g(d).smash.inp (generated)

000000096.b3lyp_6-31g(d).nwchem.inp (generated) 000000096.b3lyp_6-31g(d).log.xz 000000096.td-b3lyp_6-31g+(d).inp 000000096.td-b3lyp_6-31g+(d).log.xz

000000096.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000096.td-b3lyp_6-31+g(d).gjf (generated)

000000096.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000096.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000096.mol 000000096.PUBCHEM 000000096.mol (via Jmol)
000000097.b3lyp_6-31g(d).inp

000000097.b3lyp_6-31g(d).qchem.inp (generated)

000000097.b3lyp_6-31g(d).gjf (generated)

000000097.b3lyp_6-31g(d).firefly.inp (generated)

000000097.b3lyp_6-31g(d).smash.inp (generated)

000000097.b3lyp_6-31g(d).nwchem.inp (generated) 000000097.b3lyp_6-31g(d).log.xz 000000097.td-b3lyp_6-31g+(d).inp 000000097.td-b3lyp_6-31g+(d).log.xz

000000097.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000097.td-b3lyp_6-31+g(d).gjf (generated)

000000097.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000097.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000097.mol 000000097.PUBCHEM 000000097.mol (via Jmol)
000000098.b3lyp_6-31g(d).inp

000000098.b3lyp_6-31g(d).qchem.inp (generated)

000000098.b3lyp_6-31g(d).gjf (generated)

000000098.b3lyp_6-31g(d).firefly.inp (generated)

000000098.b3lyp_6-31g(d).smash.inp (generated)

000000098.b3lyp_6-31g(d).nwchem.inp (generated) 000000098.b3lyp_6-31g(d).log.xz 000000098.td-b3lyp_6-31g+(d).inp 000000098.td-b3lyp_6-31g+(d).log.xz

000000098.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000098.td-b3lyp_6-31+g(d).gjf (generated)

000000098.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000098.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000098.mol 000000098.PUBCHEM 000000098.mol (via Jmol)
000000101.b3lyp_6-31g(d).inp

000000101.b3lyp_6-31g(d).qchem.inp (generated)

000000101.b3lyp_6-31g(d).gjf (generated)

000000101.b3lyp_6-31g(d).firefly.inp (generated)

000000101.b3lyp_6-31g(d).smash.inp (generated)

000000101.b3lyp_6-31g(d).nwchem.inp (generated) 000000101.b3lyp_6-31g(d).log.xz 000000101.td-b3lyp_6-31g+(d).inp 000000101.td-b3lyp_6-31g+(d).log.xz

000000101.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000101.td-b3lyp_6-31+g(d).gjf (generated)

000000101.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000101.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000101.mol 000000101.PUBCHEM 000000101.mol (via Jmol)
000000102.b3lyp_6-31g(d).inp

000000102.b3lyp_6-31g(d).qchem.inp (generated)

000000102.b3lyp_6-31g(d).gjf (generated)

000000102.b3lyp_6-31g(d).firefly.inp (generated)

000000102.b3lyp_6-31g(d).smash.inp (generated)

000000102.b3lyp_6-31g(d).nwchem.inp (generated) 000000102.b3lyp_6-31g(d).log.xz 000000102.td-b3lyp_6-31g+(d).inp 000000102.td-b3lyp_6-31g+(d).log.xz

000000102.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000102.td-b3lyp_6-31+g(d).gjf (generated)

000000102.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000102.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000102.mol 000000102.PUBCHEM 000000102.mol (via Jmol)
000000104.b3lyp_6-31g(d).inp

000000104.b3lyp_6-31g(d).qchem.inp (generated)

000000104.b3lyp_6-31g(d).gjf (generated)

000000104.b3lyp_6-31g(d).firefly.inp (generated)

000000104.b3lyp_6-31g(d).smash.inp (generated)

000000104.b3lyp_6-31g(d).nwchem.inp (generated) 000000104.b3lyp_6-31g(d).log.xz 000000104.td-b3lyp_6-31g+(d).inp 000000104.td-b3lyp_6-31g+(d).log.xz

000000104.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000104.td-b3lyp_6-31+g(d).gjf (generated)

000000104.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000104.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000104.mol 000000104.PUBCHEM 000000104.mol (via Jmol)
000000105.b3lyp_6-31g(d).inp

000000105.b3lyp_6-31g(d).qchem.inp (generated)

000000105.b3lyp_6-31g(d).gjf (generated)

000000105.b3lyp_6-31g(d).firefly.inp (generated)

000000105.b3lyp_6-31g(d).smash.inp (generated)

000000105.b3lyp_6-31g(d).nwchem.inp (generated) 000000105.b3lyp_6-31g(d).log.xz 000000105.td-b3lyp_6-31g+(d).inp 000000105.td-b3lyp_6-31g+(d).log.xz

000000105.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000105.td-b3lyp_6-31+g(d).gjf (generated)

000000105.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000105.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000105.mol 000000105.PUBCHEM 000000105.mol (via Jmol)
000000106.b3lyp_6-31g(d).inp

000000106.b3lyp_6-31g(d).qchem.inp (generated)

000000106.b3lyp_6-31g(d).gjf (generated)

000000106.b3lyp_6-31g(d).firefly.inp (generated)

000000106.b3lyp_6-31g(d).smash.inp (generated)

000000106.b3lyp_6-31g(d).nwchem.inp (generated) 000000106.b3lyp_6-31g(d).log.xz 000000106.td-b3lyp_6-31g+(d).inp 000000106.td-b3lyp_6-31g+(d).log.xz

000000106.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000106.td-b3lyp_6-31+g(d).gjf (generated)

000000106.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000106.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000106.mol 000000106.PUBCHEM 000000106.mol (via Jmol)
000000107.b3lyp_6-31g(d).inp

000000107.b3lyp_6-31g(d).qchem.inp (generated)

000000107.b3lyp_6-31g(d).gjf (generated)

000000107.b3lyp_6-31g(d).firefly.inp (generated)

000000107.b3lyp_6-31g(d).smash.inp (generated)

000000107.b3lyp_6-31g(d).nwchem.inp (generated) 000000107.b3lyp_6-31g(d).log.xz 000000107.td-b3lyp_6-31g+(d).inp 000000107.td-b3lyp_6-31g+(d).log.xz

000000107.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000107.td-b3lyp_6-31+g(d).gjf (generated)

000000107.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000107.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000107.mol 000000107.PUBCHEM 000000107.mol (via Jmol)
000000108.b3lyp_6-31g(d).inp

000000108.b3lyp_6-31g(d).qchem.inp (generated)

000000108.b3lyp_6-31g(d).gjf (generated)

000000108.b3lyp_6-31g(d).firefly.inp (generated)

000000108.b3lyp_6-31g(d).smash.inp (generated)

000000108.b3lyp_6-31g(d).nwchem.inp (generated) 000000108.b3lyp_6-31g(d).log.xz 000000108.td-b3lyp_6-31g+(d).inp 000000108.td-b3lyp_6-31g+(d).log.xz

000000108.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000108.td-b3lyp_6-31+g(d).gjf (generated)

000000108.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000108.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000108.mol 000000108.PUBCHEM 000000108.mol (via Jmol)
000000109.b3lyp_6-31g(d).inp

000000109.b3lyp_6-31g(d).qchem.inp (generated)

000000109.b3lyp_6-31g(d).gjf (generated)

000000109.b3lyp_6-31g(d).firefly.inp (generated)

000000109.b3lyp_6-31g(d).smash.inp (generated)

000000109.b3lyp_6-31g(d).nwchem.inp (generated) 000000109.b3lyp_6-31g(d).log.xz 000000109.td-b3lyp_6-31g+(d).inp 000000109.td-b3lyp_6-31g+(d).log.xz

000000109.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000109.td-b3lyp_6-31+g(d).gjf (generated)

000000109.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000109.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000109.mol 000000109.PUBCHEM 000000109.mol (via Jmol)
000000110.b3lyp_6-31g(d).inp

000000110.b3lyp_6-31g(d).qchem.inp (generated)

000000110.b3lyp_6-31g(d).gjf (generated)

000000110.b3lyp_6-31g(d).firefly.inp (generated)

000000110.b3lyp_6-31g(d).smash.inp (generated)

000000110.b3lyp_6-31g(d).nwchem.inp (generated) 000000110.b3lyp_6-31g(d).log.xz 000000110.td-b3lyp_6-31g+(d).inp 000000110.td-b3lyp_6-31g+(d).log.xz

000000110.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000110.td-b3lyp_6-31+g(d).gjf (generated)

000000110.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000110.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000110.mol 000000110.PUBCHEM 000000110.mol (via Jmol)
000000111.b3lyp_6-31g(d).inp

000000111.b3lyp_6-31g(d).qchem.inp (generated)

000000111.b3lyp_6-31g(d).gjf (generated)

000000111.b3lyp_6-31g(d).firefly.inp (generated)

000000111.b3lyp_6-31g(d).smash.inp (generated)

000000111.b3lyp_6-31g(d).nwchem.inp (generated) 000000111.b3lyp_6-31g(d).log.xz 000000111.td-b3lyp_6-31g+(d).inp 000000111.td-b3lyp_6-31g+(d).log.xz

000000111.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000111.td-b3lyp_6-31+g(d).gjf (generated)

000000111.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000111.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000111.mol 000000111.PUBCHEM 000000111.mol (via Jmol)
000000112.b3lyp_6-31g(d).inp

000000112.b3lyp_6-31g(d).qchem.inp (generated)

000000112.b3lyp_6-31g(d).gjf (generated)

000000112.b3lyp_6-31g(d).firefly.inp (generated)

000000112.b3lyp_6-31g(d).smash.inp (generated)

000000112.b3lyp_6-31g(d).nwchem.inp (generated) 000000112.b3lyp_6-31g(d).log.xz 000000112.td-b3lyp_6-31g+(d).inp 000000112.td-b3lyp_6-31g+(d).log.xz

000000112.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000112.td-b3lyp_6-31+g(d).gjf (generated)

000000112.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000112.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000112.mol 000000112.PUBCHEM 000000112.mol (via Jmol)
000000113.b3lyp_6-31g(d).inp

000000113.b3lyp_6-31g(d).qchem.inp (generated)

000000113.b3lyp_6-31g(d).gjf (generated)

000000113.b3lyp_6-31g(d).firefly.inp (generated)

000000113.b3lyp_6-31g(d).smash.inp (generated)

000000113.b3lyp_6-31g(d).nwchem.inp (generated) 000000113.b3lyp_6-31g(d).log.xz 000000113.td-b3lyp_6-31g+(d).inp 000000113.td-b3lyp_6-31g+(d).log.xz

000000113.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000113.td-b3lyp_6-31+g(d).gjf (generated)

000000113.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000113.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000113.mol 000000113.PUBCHEM 000000113.mol (via Jmol)
000000114.b3lyp_6-31g(d).inp

000000114.b3lyp_6-31g(d).qchem.inp (generated)

000000114.b3lyp_6-31g(d).gjf (generated)

000000114.b3lyp_6-31g(d).firefly.inp (generated)

000000114.b3lyp_6-31g(d).smash.inp (generated)

000000114.b3lyp_6-31g(d).nwchem.inp (generated) 000000114.b3lyp_6-31g(d).log.xz 000000114.td-b3lyp_6-31g+(d).inp 000000114.td-b3lyp_6-31g+(d).log.xz

000000114.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000114.td-b3lyp_6-31+g(d).gjf (generated)

000000114.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000114.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000114.mol 000000114.PUBCHEM 000000114.mol (via Jmol)
000000116.b3lyp_6-31g(d).inp

000000116.b3lyp_6-31g(d).qchem.inp (generated)

000000116.b3lyp_6-31g(d).gjf (generated)

000000116.b3lyp_6-31g(d).firefly.inp (generated)

000000116.b3lyp_6-31g(d).smash.inp (generated)

000000116.b3lyp_6-31g(d).nwchem.inp (generated) 000000116.b3lyp_6-31g(d).log.xz 000000116.td-b3lyp_6-31g+(d).inp 000000116.td-b3lyp_6-31g+(d).log.xz

000000116.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000116.td-b3lyp_6-31+g(d).gjf (generated)

000000116.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000116.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000116.mol 000000116.PUBCHEM 000000116.mol (via Jmol)
000000117.b3lyp_6-31g(d).inp

000000117.b3lyp_6-31g(d).qchem.inp (generated)

000000117.b3lyp_6-31g(d).gjf (generated)

000000117.b3lyp_6-31g(d).firefly.inp (generated)

000000117.b3lyp_6-31g(d).smash.inp (generated)

000000117.b3lyp_6-31g(d).nwchem.inp (generated) 000000117.b3lyp_6-31g(d).log.xz 000000117.td-b3lyp_6-31g+(d).inp 000000117.td-b3lyp_6-31g+(d).log.xz

000000117.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000117.td-b3lyp_6-31+g(d).gjf (generated)

000000117.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000117.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000117.mol 000000117.PUBCHEM 000000117.mol (via Jmol)
000000118.b3lyp_6-31g(d).inp

000000118.b3lyp_6-31g(d).qchem.inp (generated)

000000118.b3lyp_6-31g(d).gjf (generated)

000000118.b3lyp_6-31g(d).firefly.inp (generated)

000000118.b3lyp_6-31g(d).smash.inp (generated)

000000118.b3lyp_6-31g(d).nwchem.inp (generated) 000000118.b3lyp_6-31g(d).log.xz 000000118.td-b3lyp_6-31g+(d).inp 000000118.td-b3lyp_6-31g+(d).log.xz

000000118.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000118.td-b3lyp_6-31+g(d).gjf (generated)

000000118.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000118.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000118.mol 000000118.PUBCHEM 000000118.mol (via Jmol)
000000119.b3lyp_6-31g(d).inp

000000119.b3lyp_6-31g(d).qchem.inp (generated)

000000119.b3lyp_6-31g(d).gjf (generated)

000000119.b3lyp_6-31g(d).firefly.inp (generated)

000000119.b3lyp_6-31g(d).smash.inp (generated)

000000119.b3lyp_6-31g(d).nwchem.inp (generated) 000000119.b3lyp_6-31g(d).log.xz 000000119.td-b3lyp_6-31g+(d).inp 000000119.td-b3lyp_6-31g+(d).log.xz

000000119.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000119.td-b3lyp_6-31+g(d).gjf (generated)

000000119.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000119.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000119.mol 000000119.PUBCHEM 000000119.mol (via Jmol)
000000120.b3lyp_6-31g(d).inp

000000120.b3lyp_6-31g(d).qchem.inp (generated)

000000120.b3lyp_6-31g(d).gjf (generated)

000000120.b3lyp_6-31g(d).firefly.inp (generated)

000000120.b3lyp_6-31g(d).smash.inp (generated)

000000120.b3lyp_6-31g(d).nwchem.inp (generated) 000000120.b3lyp_6-31g(d).log.xz 000000120.td-b3lyp_6-31g+(d).inp 000000120.td-b3lyp_6-31g+(d).log.xz

000000120.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000120.td-b3lyp_6-31+g(d).gjf (generated)

000000120.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000120.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000120.mol 000000120.PUBCHEM 000000120.mol (via Jmol)
000000122.b3lyp_6-31g(d).inp

000000122.b3lyp_6-31g(d).qchem.inp (generated)

000000122.b3lyp_6-31g(d).gjf (generated)

000000122.b3lyp_6-31g(d).firefly.inp (generated)

000000122.b3lyp_6-31g(d).smash.inp (generated)

000000122.b3lyp_6-31g(d).nwchem.inp (generated) 000000122.b3lyp_6-31g(d).log.xz 000000122.td-b3lyp_6-31g+(d).inp 000000122.td-b3lyp_6-31g+(d).log.xz

000000122.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000122.td-b3lyp_6-31+g(d).gjf (generated)

000000122.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000122.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000122.mol 000000122.PUBCHEM 000000122.mol (via Jmol)
000000123.b3lyp_6-31g(d).inp

000000123.b3lyp_6-31g(d).qchem.inp (generated)

000000123.b3lyp_6-31g(d).gjf (generated)

000000123.b3lyp_6-31g(d).firefly.inp (generated)

000000123.b3lyp_6-31g(d).smash.inp (generated)

000000123.b3lyp_6-31g(d).nwchem.inp (generated) 000000123.b3lyp_6-31g(d).log.xz 000000123.td-b3lyp_6-31g+(d).inp 000000123.td-b3lyp_6-31g+(d).log.xz

000000123.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000123.td-b3lyp_6-31+g(d).gjf (generated)

000000123.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000123.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000123.mol 000000123.PUBCHEM 000000123.mol (via Jmol)
000000124.b3lyp_6-31g(d).inp

000000124.b3lyp_6-31g(d).qchem.inp (generated)

000000124.b3lyp_6-31g(d).gjf (generated)

000000124.b3lyp_6-31g(d).firefly.inp (generated)

000000124.b3lyp_6-31g(d).smash.inp (generated)

000000124.b3lyp_6-31g(d).nwchem.inp (generated) 000000124.b3lyp_6-31g(d).log.xz 000000124.td-b3lyp_6-31g+(d).inp 000000124.td-b3lyp_6-31g+(d).log.xz

000000124.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000124.td-b3lyp_6-31+g(d).gjf (generated)

000000124.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000124.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000124.mol 000000124.PUBCHEM 000000124.mol (via Jmol)
000000125.b3lyp_6-31g(d).inp

000000125.b3lyp_6-31g(d).qchem.inp (generated)

000000125.b3lyp_6-31g(d).gjf (generated)

000000125.b3lyp_6-31g(d).firefly.inp (generated)

000000125.b3lyp_6-31g(d).smash.inp (generated)

000000125.b3lyp_6-31g(d).nwchem.inp (generated) 000000125.b3lyp_6-31g(d).log.xz 000000125.td-b3lyp_6-31g+(d).inp 000000125.td-b3lyp_6-31g+(d).log.xz

000000125.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000125.td-b3lyp_6-31+g(d).gjf (generated)

000000125.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000125.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000125.mol 000000125.PUBCHEM 000000125.mol (via Jmol)
000000126.b3lyp_6-31g(d).inp

000000126.b3lyp_6-31g(d).qchem.inp (generated)

000000126.b3lyp_6-31g(d).gjf (generated)

000000126.b3lyp_6-31g(d).firefly.inp (generated)

000000126.b3lyp_6-31g(d).smash.inp (generated)

000000126.b3lyp_6-31g(d).nwchem.inp (generated) 000000126.b3lyp_6-31g(d).log.xz 000000126.td-b3lyp_6-31g+(d).inp 000000126.td-b3lyp_6-31g+(d).log.xz

000000126.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000126.td-b3lyp_6-31+g(d).gjf (generated)

000000126.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000126.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000126.mol 000000126.PUBCHEM 000000126.mol (via Jmol)
000000127.b3lyp_6-31g(d).inp

000000127.b3lyp_6-31g(d).qchem.inp (generated)

000000127.b3lyp_6-31g(d).gjf (generated)

000000127.b3lyp_6-31g(d).firefly.inp (generated)

000000127.b3lyp_6-31g(d).smash.inp (generated)

000000127.b3lyp_6-31g(d).nwchem.inp (generated) 000000127.b3lyp_6-31g(d).log.xz 000000127.td-b3lyp_6-31g+(d).inp 000000127.td-b3lyp_6-31g+(d).log.xz

000000127.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000127.td-b3lyp_6-31+g(d).gjf (generated)

000000127.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000127.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000127.mol 000000127.PUBCHEM 000000127.mol (via Jmol)
000000128.b3lyp_6-31g(d).inp

000000128.b3lyp_6-31g(d).qchem.inp (generated)

000000128.b3lyp_6-31g(d).gjf (generated)

000000128.b3lyp_6-31g(d).firefly.inp (generated)

000000128.b3lyp_6-31g(d).smash.inp (generated)

000000128.b3lyp_6-31g(d).nwchem.inp (generated) 000000128.b3lyp_6-31g(d).log.xz 000000128.td-b3lyp_6-31g+(d).inp 000000128.td-b3lyp_6-31g+(d).log.xz

000000128.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000128.td-b3lyp_6-31+g(d).gjf (generated)

000000128.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000128.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000128.mol 000000128.PUBCHEM 000000128.mol (via Jmol)
000000129.b3lyp_6-31g(d).inp

000000129.b3lyp_6-31g(d).qchem.inp (generated)

000000129.b3lyp_6-31g(d).gjf (generated)

000000129.b3lyp_6-31g(d).firefly.inp (generated)

000000129.b3lyp_6-31g(d).smash.inp (generated)

000000129.b3lyp_6-31g(d).nwchem.inp (generated) 000000129.b3lyp_6-31g(d).log.xz 000000129.td-b3lyp_6-31g+(d).inp 000000129.td-b3lyp_6-31g+(d).log.xz

000000129.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000129.td-b3lyp_6-31+g(d).gjf (generated)

000000129.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000129.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000129.mol 000000129.PUBCHEM 000000129.mol (via Jmol)
000000130.b3lyp_6-31g(d).inp

000000130.b3lyp_6-31g(d).qchem.inp (generated)

000000130.b3lyp_6-31g(d).gjf (generated)

000000130.b3lyp_6-31g(d).firefly.inp (generated)

000000130.b3lyp_6-31g(d).smash.inp (generated)

000000130.b3lyp_6-31g(d).nwchem.inp (generated) 000000130.b3lyp_6-31g(d).log.xz 000000130.td-b3lyp_6-31g+(d).inp 000000130.td-b3lyp_6-31g+(d).log.xz

000000130.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000130.td-b3lyp_6-31+g(d).gjf (generated)

000000130.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000130.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000130.mol 000000130.PUBCHEM 000000130.mol (via Jmol)
000000131.b3lyp_6-31g(d).inp

000000131.b3lyp_6-31g(d).qchem.inp (generated)

000000131.b3lyp_6-31g(d).gjf (generated)

000000131.b3lyp_6-31g(d).firefly.inp (generated)

000000131.b3lyp_6-31g(d).smash.inp (generated)

000000131.b3lyp_6-31g(d).nwchem.inp (generated) 000000131.b3lyp_6-31g(d).log.xz 000000131.td-b3lyp_6-31g+(d).inp 000000131.td-b3lyp_6-31g+(d).log.xz

000000131.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000131.td-b3lyp_6-31+g(d).gjf (generated)

000000131.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000131.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000131.mol 000000131.PUBCHEM 000000131.mol (via Jmol)
000000132.b3lyp_6-31g(d).inp

000000132.b3lyp_6-31g(d).qchem.inp (generated)

000000132.b3lyp_6-31g(d).gjf (generated)

000000132.b3lyp_6-31g(d).firefly.inp (generated)

000000132.b3lyp_6-31g(d).smash.inp (generated)

000000132.b3lyp_6-31g(d).nwchem.inp (generated) 000000132.b3lyp_6-31g(d).log.xz 000000132.td-b3lyp_6-31g+(d).inp 000000132.td-b3lyp_6-31g+(d).log.xz

000000132.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000132.td-b3lyp_6-31+g(d).gjf (generated)

000000132.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000132.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000132.mol 000000132.PUBCHEM 000000132.mol (via Jmol)
000000133.b3lyp_6-31g(d).inp

000000133.b3lyp_6-31g(d).qchem.inp (generated)

000000133.b3lyp_6-31g(d).gjf (generated)

000000133.b3lyp_6-31g(d).firefly.inp (generated)

000000133.b3lyp_6-31g(d).smash.inp (generated)

000000133.b3lyp_6-31g(d).nwchem.inp (generated) 000000133.b3lyp_6-31g(d).log.xz 000000133.td-b3lyp_6-31g+(d).inp 000000133.td-b3lyp_6-31g+(d).log.xz

000000133.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000133.td-b3lyp_6-31+g(d).gjf (generated)

000000133.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000133.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000133.mol 000000133.PUBCHEM 000000133.mol (via Jmol)
000000134.b3lyp_6-31g(d).inp

000000134.b3lyp_6-31g(d).qchem.inp (generated)

000000134.b3lyp_6-31g(d).gjf (generated)

000000134.b3lyp_6-31g(d).firefly.inp (generated)

000000134.b3lyp_6-31g(d).smash.inp (generated)

000000134.b3lyp_6-31g(d).nwchem.inp (generated) 000000134.b3lyp_6-31g(d).log.xz 000000134.td-b3lyp_6-31g+(d).inp 000000134.td-b3lyp_6-31g+(d).log.xz

000000134.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000134.td-b3lyp_6-31+g(d).gjf (generated)

000000134.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000134.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000134.mol 000000134.PUBCHEM 000000134.mol (via Jmol)
000000135.b3lyp_6-31g(d).inp

000000135.b3lyp_6-31g(d).qchem.inp (generated)

000000135.b3lyp_6-31g(d).gjf (generated)

000000135.b3lyp_6-31g(d).firefly.inp (generated)

000000135.b3lyp_6-31g(d).smash.inp (generated)

000000135.b3lyp_6-31g(d).nwchem.inp (generated) 000000135.b3lyp_6-31g(d).log.xz 000000135.td-b3lyp_6-31g+(d).inp 000000135.td-b3lyp_6-31g+(d).log.xz

000000135.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000135.td-b3lyp_6-31+g(d).gjf (generated)

000000135.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000135.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000135.mol 000000135.PUBCHEM 000000135.mol (via Jmol)
000000136.b3lyp_6-31g(d).inp

000000136.b3lyp_6-31g(d).qchem.inp (generated)

000000136.b3lyp_6-31g(d).gjf (generated)

000000136.b3lyp_6-31g(d).firefly.inp (generated)

000000136.b3lyp_6-31g(d).smash.inp (generated)

000000136.b3lyp_6-31g(d).nwchem.inp (generated) 000000136.b3lyp_6-31g(d).log.xz 000000136.td-b3lyp_6-31g+(d).inp 000000136.td-b3lyp_6-31g+(d).log.xz

000000136.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000136.td-b3lyp_6-31+g(d).gjf (generated)

000000136.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000136.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000136.mol 000000136.PUBCHEM 000000136.mol (via Jmol)
000000137.b3lyp_6-31g(d).inp

000000137.b3lyp_6-31g(d).qchem.inp (generated)

000000137.b3lyp_6-31g(d).gjf (generated)

000000137.b3lyp_6-31g(d).firefly.inp (generated)

000000137.b3lyp_6-31g(d).smash.inp (generated)

000000137.b3lyp_6-31g(d).nwchem.inp (generated) 000000137.b3lyp_6-31g(d).log.xz 000000137.td-b3lyp_6-31g+(d).inp 000000137.td-b3lyp_6-31g+(d).log.xz

000000137.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000137.td-b3lyp_6-31+g(d).gjf (generated)

000000137.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000137.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000137.mol 000000137.PUBCHEM 000000137.mol (via Jmol)
000000138.b3lyp_6-31g(d).inp

000000138.b3lyp_6-31g(d).qchem.inp (generated)

000000138.b3lyp_6-31g(d).gjf (generated)

000000138.b3lyp_6-31g(d).firefly.inp (generated)

000000138.b3lyp_6-31g(d).smash.inp (generated)

000000138.b3lyp_6-31g(d).nwchem.inp (generated) 000000138.b3lyp_6-31g(d).log.xz 000000138.td-b3lyp_6-31g+(d).inp 000000138.td-b3lyp_6-31g+(d).log.xz

000000138.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000138.td-b3lyp_6-31+g(d).gjf (generated)

000000138.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000138.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000138.mol 000000138.PUBCHEM 000000138.mol (via Jmol)
000000139.b3lyp_6-31g(d).inp

000000139.b3lyp_6-31g(d).qchem.inp (generated)

000000139.b3lyp_6-31g(d).gjf (generated)

000000139.b3lyp_6-31g(d).firefly.inp (generated)

000000139.b3lyp_6-31g(d).smash.inp (generated)

000000139.b3lyp_6-31g(d).nwchem.inp (generated) 000000139.b3lyp_6-31g(d).log.xz 000000139.td-b3lyp_6-31g+(d).inp 000000139.td-b3lyp_6-31g+(d).log.xz

000000139.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000139.td-b3lyp_6-31+g(d).gjf (generated)

000000139.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000139.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000139.mol 000000139.PUBCHEM 000000139.mol (via Jmol)
000000140.b3lyp_6-31g(d).inp

000000140.b3lyp_6-31g(d).qchem.inp (generated)

000000140.b3lyp_6-31g(d).gjf (generated)

000000140.b3lyp_6-31g(d).firefly.inp (generated)

000000140.b3lyp_6-31g(d).smash.inp (generated)

000000140.b3lyp_6-31g(d).nwchem.inp (generated) 000000140.b3lyp_6-31g(d).log.xz 000000140.td-b3lyp_6-31g+(d).inp 000000140.td-b3lyp_6-31g+(d).log.xz

000000140.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000140.td-b3lyp_6-31+g(d).gjf (generated)

000000140.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000140.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000140.mol 000000140.PUBCHEM 000000140.mol (via Jmol)
000000142.b3lyp_6-31g(d).inp

000000142.b3lyp_6-31g(d).qchem.inp (generated)

000000142.b3lyp_6-31g(d).gjf (generated)

000000142.b3lyp_6-31g(d).firefly.inp (generated)

000000142.b3lyp_6-31g(d).smash.inp (generated)

000000142.b3lyp_6-31g(d).nwchem.inp (generated) 000000142.b3lyp_6-31g(d).log.xz 000000142.td-b3lyp_6-31g+(d).inp 000000142.td-b3lyp_6-31g+(d).log.xz

000000142.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000142.td-b3lyp_6-31+g(d).gjf (generated)

000000142.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000142.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000142.mol 000000142.PUBCHEM 000000142.mol (via Jmol)
000000143.b3lyp_6-31g(d).inp

000000143.b3lyp_6-31g(d).qchem.inp (generated)

000000143.b3lyp_6-31g(d).gjf (generated)

000000143.b3lyp_6-31g(d).firefly.inp (generated)

000000143.b3lyp_6-31g(d).smash.inp (generated)

000000143.b3lyp_6-31g(d).nwchem.inp (generated) 000000143.b3lyp_6-31g(d).log.xz 000000143.td-b3lyp_6-31g+(d).inp 000000143.td-b3lyp_6-31g+(d).log.xz

000000143.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000143.td-b3lyp_6-31+g(d).gjf (generated)

000000143.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000143.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000143.mol 000000143.PUBCHEM 000000143.mol (via Jmol)
000000144.b3lyp_6-31g(d).inp

000000144.b3lyp_6-31g(d).qchem.inp (generated)

000000144.b3lyp_6-31g(d).gjf (generated)

000000144.b3lyp_6-31g(d).firefly.inp (generated)

000000144.b3lyp_6-31g(d).smash.inp (generated)

000000144.b3lyp_6-31g(d).nwchem.inp (generated) 000000144.b3lyp_6-31g(d).log.xz 000000144.td-b3lyp_6-31g+(d).inp 000000144.td-b3lyp_6-31g+(d).log.xz

000000144.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000144.td-b3lyp_6-31+g(d).gjf (generated)

000000144.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000144.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000144.mol 000000144.PUBCHEM 000000144.mol (via Jmol)
000000145.b3lyp_6-31g(d).inp

000000145.b3lyp_6-31g(d).qchem.inp (generated)

000000145.b3lyp_6-31g(d).gjf (generated)

000000145.b3lyp_6-31g(d).firefly.inp (generated)

000000145.b3lyp_6-31g(d).smash.inp (generated)

000000145.b3lyp_6-31g(d).nwchem.inp (generated) 000000145.b3lyp_6-31g(d).log.xz 000000145.td-b3lyp_6-31g+(d).inp 000000145.td-b3lyp_6-31g+(d).log.xz

000000145.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000145.td-b3lyp_6-31+g(d).gjf (generated)

000000145.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000145.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000145.mol 000000145.PUBCHEM 000000145.mol (via Jmol)
000000146.b3lyp_6-31g(d).inp

000000146.b3lyp_6-31g(d).qchem.inp (generated)

000000146.b3lyp_6-31g(d).gjf (generated)

000000146.b3lyp_6-31g(d).firefly.inp (generated)

000000146.b3lyp_6-31g(d).smash.inp (generated)

000000146.b3lyp_6-31g(d).nwchem.inp (generated) 000000146.b3lyp_6-31g(d).log.xz 000000146.td-b3lyp_6-31g+(d).inp 000000146.td-b3lyp_6-31g+(d).log.xz

000000146.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000146.td-b3lyp_6-31+g(d).gjf (generated)

000000146.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000146.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000146.mol 000000146.PUBCHEM 000000146.mol (via Jmol)
000000149.b3lyp_6-31g(d).inp

000000149.b3lyp_6-31g(d).qchem.inp (generated)

000000149.b3lyp_6-31g(d).gjf (generated)

000000149.b3lyp_6-31g(d).firefly.inp (generated)

000000149.b3lyp_6-31g(d).smash.inp (generated)

000000149.b3lyp_6-31g(d).nwchem.inp (generated) 000000149.b3lyp_6-31g(d).log.xz 000000149.td-b3lyp_6-31g+(d).inp 000000149.td-b3lyp_6-31g+(d).log.xz

000000149.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000149.td-b3lyp_6-31+g(d).gjf (generated)

000000149.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000149.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000149.mol 000000149.PUBCHEM 000000149.mol (via Jmol)
000000150.b3lyp_6-31g(d).inp

000000150.b3lyp_6-31g(d).qchem.inp (generated)

000000150.b3lyp_6-31g(d).gjf (generated)

000000150.b3lyp_6-31g(d).firefly.inp (generated)

000000150.b3lyp_6-31g(d).smash.inp (generated)

000000150.b3lyp_6-31g(d).nwchem.inp (generated) 000000150.b3lyp_6-31g(d).log.xz 000000150.td-b3lyp_6-31g+(d).inp 000000150.td-b3lyp_6-31g+(d).log.xz

000000150.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000150.td-b3lyp_6-31+g(d).gjf (generated)

000000150.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000150.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000150.mol 000000150.PUBCHEM 000000150.mol (via Jmol)
000000151.b3lyp_6-31g(d).inp

000000151.b3lyp_6-31g(d).qchem.inp (generated)

000000151.b3lyp_6-31g(d).gjf (generated)

000000151.b3lyp_6-31g(d).firefly.inp (generated)

000000151.b3lyp_6-31g(d).smash.inp (generated)

000000151.b3lyp_6-31g(d).nwchem.inp (generated) 000000151.b3lyp_6-31g(d).log.xz 000000151.td-b3lyp_6-31g+(d).inp 000000151.td-b3lyp_6-31g+(d).log.xz

000000151.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000151.td-b3lyp_6-31+g(d).gjf (generated)

000000151.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000151.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000151.mol 000000151.PUBCHEM 000000151.mol (via Jmol)
000000152.b3lyp_6-31g(d).inp

000000152.b3lyp_6-31g(d).qchem.inp (generated)

000000152.b3lyp_6-31g(d).gjf (generated)

000000152.b3lyp_6-31g(d).firefly.inp (generated)

000000152.b3lyp_6-31g(d).smash.inp (generated)

000000152.b3lyp_6-31g(d).nwchem.inp (generated) 000000152.b3lyp_6-31g(d).log.xz 000000152.td-b3lyp_6-31g+(d).inp 000000152.td-b3lyp_6-31g+(d).log.xz

000000152.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000152.td-b3lyp_6-31+g(d).gjf (generated)

000000152.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000152.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000152.mol 000000152.PUBCHEM 000000152.mol (via Jmol)
000000153.b3lyp_6-31g(d).inp

000000153.b3lyp_6-31g(d).qchem.inp (generated)

000000153.b3lyp_6-31g(d).gjf (generated)

000000153.b3lyp_6-31g(d).firefly.inp (generated)

000000153.b3lyp_6-31g(d).smash.inp (generated)

000000153.b3lyp_6-31g(d).nwchem.inp (generated) 000000153.b3lyp_6-31g(d).log.xz 000000153.td-b3lyp_6-31g+(d).inp 000000153.td-b3lyp_6-31g+(d).log.xz

000000153.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000153.td-b3lyp_6-31+g(d).gjf (generated)

000000153.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000153.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000153.mol 000000153.PUBCHEM 000000153.mol (via Jmol)
000000154.b3lyp_6-31g(d).inp

000000154.b3lyp_6-31g(d).qchem.inp (generated)

000000154.b3lyp_6-31g(d).gjf (generated)

000000154.b3lyp_6-31g(d).firefly.inp (generated)

000000154.b3lyp_6-31g(d).smash.inp (generated)

000000154.b3lyp_6-31g(d).nwchem.inp (generated) 000000154.b3lyp_6-31g(d).log.xz 000000154.td-b3lyp_6-31g+(d).inp 000000154.td-b3lyp_6-31g+(d).log.xz

000000154.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000154.td-b3lyp_6-31+g(d).gjf (generated)

000000154.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000154.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000154.mol 000000154.PUBCHEM 000000154.mol (via Jmol)
000000155.b3lyp_6-31g(d).inp

000000155.b3lyp_6-31g(d).qchem.inp (generated)

000000155.b3lyp_6-31g(d).gjf (generated)

000000155.b3lyp_6-31g(d).firefly.inp (generated)

000000155.b3lyp_6-31g(d).smash.inp (generated)

000000155.b3lyp_6-31g(d).nwchem.inp (generated) 000000155.b3lyp_6-31g(d).log.xz 000000155.td-b3lyp_6-31g+(d).inp 000000155.td-b3lyp_6-31g+(d).log.xz

000000155.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000155.td-b3lyp_6-31+g(d).gjf (generated)

000000155.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000155.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000155.mol 000000155.PUBCHEM 000000155.mol (via Jmol)
000000156.b3lyp_6-31g(d).inp

000000156.b3lyp_6-31g(d).qchem.inp (generated)

000000156.b3lyp_6-31g(d).gjf (generated)

000000156.b3lyp_6-31g(d).firefly.inp (generated)

000000156.b3lyp_6-31g(d).smash.inp (generated)

000000156.b3lyp_6-31g(d).nwchem.inp (generated) 000000156.b3lyp_6-31g(d).log.xz 000000156.td-b3lyp_6-31g+(d).inp 000000156.td-b3lyp_6-31g+(d).log.xz

000000156.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000156.td-b3lyp_6-31+g(d).gjf (generated)

000000156.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000156.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000156.mol 000000156.PUBCHEM 000000156.mol (via Jmol)
000000157.b3lyp_6-31g(d).inp

000000157.b3lyp_6-31g(d).qchem.inp (generated)

000000157.b3lyp_6-31g(d).gjf (generated)

000000157.b3lyp_6-31g(d).firefly.inp (generated)

000000157.b3lyp_6-31g(d).smash.inp (generated)

000000157.b3lyp_6-31g(d).nwchem.inp (generated) 000000157.b3lyp_6-31g(d).log.xz 000000157.td-b3lyp_6-31g+(d).inp 000000157.td-b3lyp_6-31g+(d).log.xz

000000157.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000157.td-b3lyp_6-31+g(d).gjf (generated)

000000157.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000157.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000157.mol 000000157.PUBCHEM 000000157.mol (via Jmol)
000000158.b3lyp_6-31g(d).inp

000000158.b3lyp_6-31g(d).qchem.inp (generated)

000000158.b3lyp_6-31g(d).gjf (generated)

000000158.b3lyp_6-31g(d).firefly.inp (generated)

000000158.b3lyp_6-31g(d).smash.inp (generated)

000000158.b3lyp_6-31g(d).nwchem.inp (generated) 000000158.b3lyp_6-31g(d).log.xz 000000158.td-b3lyp_6-31g+(d).inp 000000158.td-b3lyp_6-31g+(d).log.xz

000000158.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000158.td-b3lyp_6-31+g(d).gjf (generated)

000000158.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000158.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000158.mol 000000158.PUBCHEM 000000158.mol (via Jmol)
000000159.b3lyp_6-31g(d).inp

000000159.b3lyp_6-31g(d).qchem.inp (generated)

000000159.b3lyp_6-31g(d).gjf (generated)

000000159.b3lyp_6-31g(d).firefly.inp (generated)

000000159.b3lyp_6-31g(d).smash.inp (generated)

000000159.b3lyp_6-31g(d).nwchem.inp (generated) 000000159.b3lyp_6-31g(d).log.xz 000000159.td-b3lyp_6-31g+(d).inp 000000159.td-b3lyp_6-31g+(d).log.xz

000000159.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000159.td-b3lyp_6-31+g(d).gjf (generated)

000000159.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000159.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000159.mol 000000159.PUBCHEM 000000159.mol (via Jmol)
000000160.b3lyp_6-31g(d).inp

000000160.b3lyp_6-31g(d).qchem.inp (generated)

000000160.b3lyp_6-31g(d).gjf (generated)

000000160.b3lyp_6-31g(d).firefly.inp (generated)

000000160.b3lyp_6-31g(d).smash.inp (generated)

000000160.b3lyp_6-31g(d).nwchem.inp (generated) 000000160.b3lyp_6-31g(d).log.xz 000000160.td-b3lyp_6-31g+(d).inp 000000160.td-b3lyp_6-31g+(d).log.xz

000000160.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000160.td-b3lyp_6-31+g(d).gjf (generated)

000000160.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000160.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000160.mol 000000160.PUBCHEM 000000160.mol (via Jmol)
000000162.b3lyp_6-31g(d).inp

000000162.b3lyp_6-31g(d).qchem.inp (generated)

000000162.b3lyp_6-31g(d).gjf (generated)

000000162.b3lyp_6-31g(d).firefly.inp (generated)

000000162.b3lyp_6-31g(d).smash.inp (generated)

000000162.b3lyp_6-31g(d).nwchem.inp (generated) 000000162.b3lyp_6-31g(d).log.xz 000000162.td-b3lyp_6-31g+(d).inp 000000162.td-b3lyp_6-31g+(d).log.xz

000000162.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000162.td-b3lyp_6-31+g(d).gjf (generated)

000000162.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000162.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000162.mol 000000162.PUBCHEM 000000162.mol (via Jmol)
000000164.b3lyp_6-31g(d).inp

000000164.b3lyp_6-31g(d).qchem.inp (generated)

000000164.b3lyp_6-31g(d).gjf (generated)

000000164.b3lyp_6-31g(d).firefly.inp (generated)

000000164.b3lyp_6-31g(d).smash.inp (generated)

000000164.b3lyp_6-31g(d).nwchem.inp (generated) 000000164.b3lyp_6-31g(d).log.xz 000000164.td-b3lyp_6-31g+(d).inp 000000164.td-b3lyp_6-31g+(d).log.xz

000000164.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000164.td-b3lyp_6-31+g(d).gjf (generated)

000000164.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000164.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000164.mol 000000164.PUBCHEM 000000164.mol (via Jmol)
000000165.b3lyp_6-31g(d).inp

000000165.b3lyp_6-31g(d).qchem.inp (generated)

000000165.b3lyp_6-31g(d).gjf (generated)

000000165.b3lyp_6-31g(d).firefly.inp (generated)

000000165.b3lyp_6-31g(d).smash.inp (generated)

000000165.b3lyp_6-31g(d).nwchem.inp (generated) 000000165.b3lyp_6-31g(d).log.xz 000000165.td-b3lyp_6-31g+(d).inp 000000165.td-b3lyp_6-31g+(d).log.xz

000000165.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000165.td-b3lyp_6-31+g(d).gjf (generated)

000000165.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000165.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000165.mol 000000165.PUBCHEM 000000165.mol (via Jmol)
000000166.b3lyp_6-31g(d).inp

000000166.b3lyp_6-31g(d).qchem.inp (generated)

000000166.b3lyp_6-31g(d).gjf (generated)

000000166.b3lyp_6-31g(d).firefly.inp (generated)

000000166.b3lyp_6-31g(d).smash.inp (generated)

000000166.b3lyp_6-31g(d).nwchem.inp (generated) 000000166.b3lyp_6-31g(d).log.xz 000000166.td-b3lyp_6-31g+(d).inp 000000166.td-b3lyp_6-31g+(d).log.xz

000000166.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000166.td-b3lyp_6-31+g(d).gjf (generated)

000000166.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000166.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000166.mol 000000166.PUBCHEM 000000166.mol (via Jmol)
000000167.b3lyp_6-31g(d).inp

000000167.b3lyp_6-31g(d).qchem.inp (generated)

000000167.b3lyp_6-31g(d).gjf (generated)

000000167.b3lyp_6-31g(d).firefly.inp (generated)

000000167.b3lyp_6-31g(d).smash.inp (generated)

000000167.b3lyp_6-31g(d).nwchem.inp (generated) 000000167.b3lyp_6-31g(d).log.xz 000000167.td-b3lyp_6-31g+(d).inp 000000167.td-b3lyp_6-31g+(d).log.xz

000000167.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000167.td-b3lyp_6-31+g(d).gjf (generated)

000000167.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000167.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000167.mol 000000167.PUBCHEM 000000167.mol (via Jmol)
000000168.b3lyp_6-31g(d).inp

000000168.b3lyp_6-31g(d).qchem.inp (generated)

000000168.b3lyp_6-31g(d).gjf (generated)

000000168.b3lyp_6-31g(d).firefly.inp (generated)

000000168.b3lyp_6-31g(d).smash.inp (generated)

000000168.b3lyp_6-31g(d).nwchem.inp (generated) 000000168.b3lyp_6-31g(d).log.xz 000000168.td-b3lyp_6-31g+(d).inp 000000168.td-b3lyp_6-31g+(d).log.xz

000000168.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000168.td-b3lyp_6-31+g(d).gjf (generated)

000000168.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000168.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000168.mol 000000168.PUBCHEM 000000168.mol (via Jmol)
000000169.b3lyp_6-31g(d).inp

000000169.b3lyp_6-31g(d).qchem.inp (generated)

000000169.b3lyp_6-31g(d).gjf (generated)

000000169.b3lyp_6-31g(d).firefly.inp (generated)

000000169.b3lyp_6-31g(d).smash.inp (generated)

000000169.b3lyp_6-31g(d).nwchem.inp (generated) 000000169.b3lyp_6-31g(d).log.xz 000000169.td-b3lyp_6-31g+(d).inp 000000169.td-b3lyp_6-31g+(d).log.xz

000000169.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000169.td-b3lyp_6-31+g(d).gjf (generated)

000000169.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000169.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000169.mol 000000169.PUBCHEM 000000169.mol (via Jmol)
000000170.b3lyp_6-31g(d).inp

000000170.b3lyp_6-31g(d).qchem.inp (generated)

000000170.b3lyp_6-31g(d).gjf (generated)

000000170.b3lyp_6-31g(d).firefly.inp (generated)

000000170.b3lyp_6-31g(d).smash.inp (generated)

000000170.b3lyp_6-31g(d).nwchem.inp (generated) 000000170.b3lyp_6-31g(d).log.xz 000000170.td-b3lyp_6-31g+(d).inp 000000170.td-b3lyp_6-31g+(d).log.xz

000000170.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000170.td-b3lyp_6-31+g(d).gjf (generated)

000000170.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000170.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000170.mol 000000170.PUBCHEM 000000170.mol (via Jmol)
000000171.b3lyp_6-31g(d).inp

000000171.b3lyp_6-31g(d).qchem.inp (generated)

000000171.b3lyp_6-31g(d).gjf (generated)

000000171.b3lyp_6-31g(d).firefly.inp (generated)

000000171.b3lyp_6-31g(d).smash.inp (generated)

000000171.b3lyp_6-31g(d).nwchem.inp (generated) 000000171.b3lyp_6-31g(d).log.xz 000000171.td-b3lyp_6-31g+(d).inp 000000171.td-b3lyp_6-31g+(d).log.xz

000000171.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000171.td-b3lyp_6-31+g(d).gjf (generated)

000000171.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000171.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000171.mol 000000171.PUBCHEM 000000171.mol (via Jmol)
000000172.b3lyp_6-31g(d).inp

000000172.b3lyp_6-31g(d).qchem.inp (generated)

000000172.b3lyp_6-31g(d).gjf (generated)

000000172.b3lyp_6-31g(d).firefly.inp (generated)

000000172.b3lyp_6-31g(d).smash.inp (generated)

000000172.b3lyp_6-31g(d).nwchem.inp (generated) 000000172.b3lyp_6-31g(d).log.xz 000000172.td-b3lyp_6-31g+(d).inp 000000172.td-b3lyp_6-31g+(d).log.xz

000000172.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000172.td-b3lyp_6-31+g(d).gjf (generated)

000000172.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000172.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000172.mol 000000172.PUBCHEM 000000172.mol (via Jmol)
000000173.b3lyp_6-31g(d).inp

000000173.b3lyp_6-31g(d).qchem.inp (generated)

000000173.b3lyp_6-31g(d).gjf (generated)

000000173.b3lyp_6-31g(d).firefly.inp (generated)

000000173.b3lyp_6-31g(d).smash.inp (generated)

000000173.b3lyp_6-31g(d).nwchem.inp (generated) 000000173.b3lyp_6-31g(d).log.xz 000000173.td-b3lyp_6-31g+(d).inp 000000173.td-b3lyp_6-31g+(d).log.xz

000000173.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000173.td-b3lyp_6-31+g(d).gjf (generated)

000000173.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000173.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000173.mol 000000173.PUBCHEM 000000173.mol (via Jmol)
000000174.b3lyp_6-31g(d).inp

000000174.b3lyp_6-31g(d).qchem.inp (generated)

000000174.b3lyp_6-31g(d).gjf (generated)

000000174.b3lyp_6-31g(d).firefly.inp (generated)

000000174.b3lyp_6-31g(d).smash.inp (generated)

000000174.b3lyp_6-31g(d).nwchem.inp (generated) 000000174.b3lyp_6-31g(d).log.xz 000000174.td-b3lyp_6-31g+(d).inp 000000174.td-b3lyp_6-31g+(d).log.xz

000000174.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000174.td-b3lyp_6-31+g(d).gjf (generated)

000000174.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000174.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000174.mol 000000174.PUBCHEM 000000174.mol (via Jmol)
000000175.b3lyp_6-31g(d).inp

000000175.b3lyp_6-31g(d).qchem.inp (generated)

000000175.b3lyp_6-31g(d).gjf (generated)

000000175.b3lyp_6-31g(d).firefly.inp (generated)

000000175.b3lyp_6-31g(d).smash.inp (generated)

000000175.b3lyp_6-31g(d).nwchem.inp (generated) 000000175.b3lyp_6-31g(d).log.xz 000000175.td-b3lyp_6-31g+(d).inp 000000175.td-b3lyp_6-31g+(d).log.xz

000000175.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000175.td-b3lyp_6-31+g(d).gjf (generated)

000000175.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000175.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000175.mol 000000175.PUBCHEM 000000175.mol (via Jmol)
000000176.b3lyp_6-31g(d).inp

000000176.b3lyp_6-31g(d).qchem.inp (generated)

000000176.b3lyp_6-31g(d).gjf (generated)

000000176.b3lyp_6-31g(d).firefly.inp (generated)

000000176.b3lyp_6-31g(d).smash.inp (generated)

000000176.b3lyp_6-31g(d).nwchem.inp (generated) 000000176.b3lyp_6-31g(d).log.xz 000000176.td-b3lyp_6-31g+(d).inp 000000176.td-b3lyp_6-31g+(d).log.xz

000000176.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000176.td-b3lyp_6-31+g(d).gjf (generated)

000000176.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000176.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000176.mol 000000176.PUBCHEM 000000176.mol (via Jmol)
000000177.b3lyp_6-31g(d).inp

000000177.b3lyp_6-31g(d).qchem.inp (generated)

000000177.b3lyp_6-31g(d).gjf (generated)

000000177.b3lyp_6-31g(d).firefly.inp (generated)

000000177.b3lyp_6-31g(d).smash.inp (generated)

000000177.b3lyp_6-31g(d).nwchem.inp (generated) 000000177.b3lyp_6-31g(d).log.xz 000000177.td-b3lyp_6-31g+(d).inp 000000177.td-b3lyp_6-31g+(d).log.xz

000000177.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000177.td-b3lyp_6-31+g(d).gjf (generated)

000000177.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000177.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000177.mol 000000177.PUBCHEM 000000177.mol (via Jmol)
000000178.b3lyp_6-31g(d).inp

000000178.b3lyp_6-31g(d).qchem.inp (generated)

000000178.b3lyp_6-31g(d).gjf (generated)

000000178.b3lyp_6-31g(d).firefly.inp (generated)

000000178.b3lyp_6-31g(d).smash.inp (generated)

000000178.b3lyp_6-31g(d).nwchem.inp (generated) 000000178.b3lyp_6-31g(d).log.xz 000000178.td-b3lyp_6-31g+(d).inp 000000178.td-b3lyp_6-31g+(d).log.xz

000000178.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000178.td-b3lyp_6-31+g(d).gjf (generated)

000000178.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000178.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000178.mol 000000178.PUBCHEM 000000178.mol (via Jmol)
000000179.b3lyp_6-31g(d).inp

000000179.b3lyp_6-31g(d).qchem.inp (generated)

000000179.b3lyp_6-31g(d).gjf (generated)

000000179.b3lyp_6-31g(d).firefly.inp (generated)

000000179.b3lyp_6-31g(d).smash.inp (generated)

000000179.b3lyp_6-31g(d).nwchem.inp (generated) 000000179.b3lyp_6-31g(d).log.xz 000000179.td-b3lyp_6-31g+(d).inp 000000179.td-b3lyp_6-31g+(d).log.xz

000000179.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000179.td-b3lyp_6-31+g(d).gjf (generated)

000000179.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000179.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000179.mol 000000179.PUBCHEM 000000179.mol (via Jmol)
000000180.b3lyp_6-31g(d).inp

000000180.b3lyp_6-31g(d).qchem.inp (generated)

000000180.b3lyp_6-31g(d).gjf (generated)

000000180.b3lyp_6-31g(d).firefly.inp (generated)

000000180.b3lyp_6-31g(d).smash.inp (generated)

000000180.b3lyp_6-31g(d).nwchem.inp (generated) 000000180.b3lyp_6-31g(d).log.xz 000000180.td-b3lyp_6-31g+(d).inp 000000180.td-b3lyp_6-31g+(d).log.xz

000000180.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000180.td-b3lyp_6-31+g(d).gjf (generated)

000000180.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000180.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000180.mol 000000180.PUBCHEM 000000180.mol (via Jmol)
000000184.b3lyp_6-31g(d).inp

000000184.b3lyp_6-31g(d).qchem.inp (generated)

000000184.b3lyp_6-31g(d).gjf (generated)

000000184.b3lyp_6-31g(d).firefly.inp (generated)

000000184.b3lyp_6-31g(d).smash.inp (generated)

000000184.b3lyp_6-31g(d).nwchem.inp (generated) 000000184.b3lyp_6-31g(d).log.xz 000000184.td-b3lyp_6-31g+(d).inp 000000184.td-b3lyp_6-31g+(d).log.xz

000000184.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000184.td-b3lyp_6-31+g(d).gjf (generated)

000000184.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000184.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000184.mol 000000184.PUBCHEM 000000184.mol (via Jmol)
000000185.b3lyp_6-31g(d).inp

000000185.b3lyp_6-31g(d).qchem.inp (generated)

000000185.b3lyp_6-31g(d).gjf (generated)

000000185.b3lyp_6-31g(d).firefly.inp (generated)

000000185.b3lyp_6-31g(d).smash.inp (generated)

000000185.b3lyp_6-31g(d).nwchem.inp (generated) 000000185.b3lyp_6-31g(d).log.xz 000000185.td-b3lyp_6-31g+(d).inp 000000185.td-b3lyp_6-31g+(d).log.xz

000000185.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000185.td-b3lyp_6-31+g(d).gjf (generated)

000000185.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000185.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000185.mol 000000185.PUBCHEM 000000185.mol (via Jmol)
000000186.b3lyp_6-31g(d).inp

000000186.b3lyp_6-31g(d).qchem.inp (generated)

000000186.b3lyp_6-31g(d).gjf (generated)

000000186.b3lyp_6-31g(d).firefly.inp (generated)

000000186.b3lyp_6-31g(d).smash.inp (generated)

000000186.b3lyp_6-31g(d).nwchem.inp (generated) 000000186.b3lyp_6-31g(d).log.xz 000000186.td-b3lyp_6-31g+(d).inp 000000186.td-b3lyp_6-31g+(d).log.xz

000000186.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000186.td-b3lyp_6-31+g(d).gjf (generated)

000000186.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000186.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000186.mol 000000186.PUBCHEM 000000186.mol (via Jmol)
000000187.b3lyp_6-31g(d).inp

000000187.b3lyp_6-31g(d).qchem.inp (generated)

000000187.b3lyp_6-31g(d).gjf (generated)

000000187.b3lyp_6-31g(d).firefly.inp (generated)

000000187.b3lyp_6-31g(d).smash.inp (generated)

000000187.b3lyp_6-31g(d).nwchem.inp (generated) 000000187.b3lyp_6-31g(d).log.xz 000000187.td-b3lyp_6-31g+(d).inp 000000187.td-b3lyp_6-31g+(d).log.xz

000000187.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000187.td-b3lyp_6-31+g(d).gjf (generated)

000000187.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000187.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000187.mol 000000187.PUBCHEM 000000187.mol (via Jmol)
000000188.b3lyp_6-31g(d).inp

000000188.b3lyp_6-31g(d).qchem.inp (generated)

000000188.b3lyp_6-31g(d).gjf (generated)

000000188.b3lyp_6-31g(d).firefly.inp (generated)

000000188.b3lyp_6-31g(d).smash.inp (generated)

000000188.b3lyp_6-31g(d).nwchem.inp (generated) 000000188.b3lyp_6-31g(d).log.xz 000000188.td-b3lyp_6-31g+(d).inp 000000188.td-b3lyp_6-31g+(d).log.xz

000000188.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000188.td-b3lyp_6-31+g(d).gjf (generated)

000000188.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000188.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000188.mol 000000188.PUBCHEM 000000188.mol (via Jmol)
000000189.b3lyp_6-31g(d).inp

000000189.b3lyp_6-31g(d).qchem.inp (generated)

000000189.b3lyp_6-31g(d).gjf (generated)

000000189.b3lyp_6-31g(d).firefly.inp (generated)

000000189.b3lyp_6-31g(d).smash.inp (generated)

000000189.b3lyp_6-31g(d).nwchem.inp (generated) 000000189.b3lyp_6-31g(d).log.xz 000000189.td-b3lyp_6-31g+(d).inp 000000189.td-b3lyp_6-31g+(d).log.xz

000000189.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000189.td-b3lyp_6-31+g(d).gjf (generated)

000000189.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000189.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000189.mol 000000189.PUBCHEM 000000189.mol (via Jmol)
000000190.b3lyp_6-31g(d).inp

000000190.b3lyp_6-31g(d).qchem.inp (generated)

000000190.b3lyp_6-31g(d).gjf (generated)

000000190.b3lyp_6-31g(d).firefly.inp (generated)

000000190.b3lyp_6-31g(d).smash.inp (generated)

000000190.b3lyp_6-31g(d).nwchem.inp (generated) 000000190.b3lyp_6-31g(d).log.xz 000000190.td-b3lyp_6-31g+(d).inp 000000190.td-b3lyp_6-31g+(d).log.xz

000000190.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000190.td-b3lyp_6-31+g(d).gjf (generated)

000000190.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000190.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000190.mol 000000190.PUBCHEM 000000190.mol (via Jmol)
000000191.b3lyp_6-31g(d).inp

000000191.b3lyp_6-31g(d).qchem.inp (generated)

000000191.b3lyp_6-31g(d).gjf (generated)

000000191.b3lyp_6-31g(d).firefly.inp (generated)

000000191.b3lyp_6-31g(d).smash.inp (generated)

000000191.b3lyp_6-31g(d).nwchem.inp (generated) 000000191.b3lyp_6-31g(d).log.xz 000000191.td-b3lyp_6-31g+(d).inp 000000191.td-b3lyp_6-31g+(d).log.xz

000000191.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000191.td-b3lyp_6-31+g(d).gjf (generated)

000000191.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000191.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000191.mol 000000191.PUBCHEM 000000191.mol (via Jmol)
000000193.b3lyp_6-31g(d).inp

000000193.b3lyp_6-31g(d).qchem.inp (generated)

000000193.b3lyp_6-31g(d).gjf (generated)

000000193.b3lyp_6-31g(d).firefly.inp (generated)

000000193.b3lyp_6-31g(d).smash.inp (generated)

000000193.b3lyp_6-31g(d).nwchem.inp (generated) 000000193.b3lyp_6-31g(d).log.xz 000000193.td-b3lyp_6-31g+(d).inp 000000193.td-b3lyp_6-31g+(d).log.xz

000000193.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000193.td-b3lyp_6-31+g(d).gjf (generated)

000000193.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000193.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000193.mol 000000193.PUBCHEM 000000193.mol (via Jmol)
000000195.b3lyp_6-31g(d).inp

000000195.b3lyp_6-31g(d).qchem.inp (generated)

000000195.b3lyp_6-31g(d).gjf (generated)

000000195.b3lyp_6-31g(d).firefly.inp (generated)

000000195.b3lyp_6-31g(d).smash.inp (generated)

000000195.b3lyp_6-31g(d).nwchem.inp (generated) 000000195.b3lyp_6-31g(d).log.xz 000000195.td-b3lyp_6-31g+(d).inp 000000195.td-b3lyp_6-31g+(d).log.xz

000000195.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000195.td-b3lyp_6-31+g(d).gjf (generated)

000000195.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000195.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000195.mol 000000195.PUBCHEM 000000195.mol (via Jmol)
000000196.b3lyp_6-31g(d).inp

000000196.b3lyp_6-31g(d).qchem.inp (generated)

000000196.b3lyp_6-31g(d).gjf (generated)

000000196.b3lyp_6-31g(d).firefly.inp (generated)

000000196.b3lyp_6-31g(d).smash.inp (generated)

000000196.b3lyp_6-31g(d).nwchem.inp (generated) 000000196.b3lyp_6-31g(d).log.xz 000000196.td-b3lyp_6-31g+(d).inp 000000196.td-b3lyp_6-31g+(d).log.xz

000000196.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000196.td-b3lyp_6-31+g(d).gjf (generated)

000000196.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000196.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000196.mol 000000196.PUBCHEM 000000196.mol (via Jmol)
000000197.b3lyp_6-31g(d).inp

000000197.b3lyp_6-31g(d).qchem.inp (generated)

000000197.b3lyp_6-31g(d).gjf (generated)

000000197.b3lyp_6-31g(d).firefly.inp (generated)

000000197.b3lyp_6-31g(d).smash.inp (generated)

000000197.b3lyp_6-31g(d).nwchem.inp (generated) 000000197.b3lyp_6-31g(d).log.xz 000000197.td-b3lyp_6-31g+(d).inp 000000197.td-b3lyp_6-31g+(d).log.xz

000000197.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000197.td-b3lyp_6-31+g(d).gjf (generated)

000000197.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000197.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000197.mol 000000197.PUBCHEM 000000197.mol (via Jmol)
000000199.b3lyp_6-31g(d).inp

000000199.b3lyp_6-31g(d).qchem.inp (generated)

000000199.b3lyp_6-31g(d).gjf (generated)

000000199.b3lyp_6-31g(d).firefly.inp (generated)

000000199.b3lyp_6-31g(d).smash.inp (generated)

000000199.b3lyp_6-31g(d).nwchem.inp (generated) 000000199.b3lyp_6-31g(d).log.xz 000000199.td-b3lyp_6-31g+(d).inp 000000199.td-b3lyp_6-31g+(d).log.xz

000000199.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000199.td-b3lyp_6-31+g(d).gjf (generated)

000000199.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000199.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000199.mol 000000199.PUBCHEM 000000199.mol (via Jmol)
000000200.b3lyp_6-31g(d).inp

000000200.b3lyp_6-31g(d).qchem.inp (generated)

000000200.b3lyp_6-31g(d).gjf (generated)

000000200.b3lyp_6-31g(d).firefly.inp (generated)

000000200.b3lyp_6-31g(d).smash.inp (generated)

000000200.b3lyp_6-31g(d).nwchem.inp (generated) 000000200.b3lyp_6-31g(d).log.xz 000000200.td-b3lyp_6-31g+(d).inp 000000200.td-b3lyp_6-31g+(d).log.xz

000000200.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000200.td-b3lyp_6-31+g(d).gjf (generated)

000000200.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000200.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000200.mol 000000200.PUBCHEM 000000200.mol (via Jmol)
000000203.b3lyp_6-31g(d).inp

000000203.b3lyp_6-31g(d).qchem.inp (generated)

000000203.b3lyp_6-31g(d).gjf (generated)

000000203.b3lyp_6-31g(d).firefly.inp (generated)

000000203.b3lyp_6-31g(d).smash.inp (generated)

000000203.b3lyp_6-31g(d).nwchem.inp (generated) 000000203.b3lyp_6-31g(d).log.xz 000000203.td-b3lyp_6-31g+(d).inp 000000203.td-b3lyp_6-31g+(d).log.xz

000000203.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000203.td-b3lyp_6-31+g(d).gjf (generated)

000000203.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000203.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000203.mol 000000203.PUBCHEM 000000203.mol (via Jmol)
000000204.b3lyp_6-31g(d).inp

000000204.b3lyp_6-31g(d).qchem.inp (generated)

000000204.b3lyp_6-31g(d).gjf (generated)

000000204.b3lyp_6-31g(d).firefly.inp (generated)

000000204.b3lyp_6-31g(d).smash.inp (generated)

000000204.b3lyp_6-31g(d).nwchem.inp (generated) 000000204.b3lyp_6-31g(d).log.xz 000000204.td-b3lyp_6-31g+(d).inp 000000204.td-b3lyp_6-31g+(d).log.xz

000000204.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000204.td-b3lyp_6-31+g(d).gjf (generated)

000000204.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000204.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000204.mol 000000204.PUBCHEM 000000204.mol (via Jmol)
000000205.b3lyp_6-31g(d).inp

000000205.b3lyp_6-31g(d).qchem.inp (generated)

000000205.b3lyp_6-31g(d).gjf (generated)

000000205.b3lyp_6-31g(d).firefly.inp (generated)

000000205.b3lyp_6-31g(d).smash.inp (generated)

000000205.b3lyp_6-31g(d).nwchem.inp (generated) 000000205.b3lyp_6-31g(d).log.xz 000000205.td-b3lyp_6-31g+(d).inp 000000205.td-b3lyp_6-31g+(d).log.xz

000000205.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000205.td-b3lyp_6-31+g(d).gjf (generated)

000000205.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000205.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000205.mol 000000205.PUBCHEM 000000205.mol (via Jmol)
000000206.b3lyp_6-31g(d).inp

000000206.b3lyp_6-31g(d).qchem.inp (generated)

000000206.b3lyp_6-31g(d).gjf (generated)

000000206.b3lyp_6-31g(d).firefly.inp (generated)

000000206.b3lyp_6-31g(d).smash.inp (generated)

000000206.b3lyp_6-31g(d).nwchem.inp (generated) 000000206.b3lyp_6-31g(d).log.xz 000000206.td-b3lyp_6-31g+(d).inp 000000206.td-b3lyp_6-31g+(d).log.xz

000000206.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000206.td-b3lyp_6-31+g(d).gjf (generated)

000000206.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000206.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000206.mol 000000206.PUBCHEM 000000206.mol (via Jmol)
000000207.b3lyp_6-31g(d).inp

000000207.b3lyp_6-31g(d).qchem.inp (generated)

000000207.b3lyp_6-31g(d).gjf (generated)

000000207.b3lyp_6-31g(d).firefly.inp (generated)

000000207.b3lyp_6-31g(d).smash.inp (generated)

000000207.b3lyp_6-31g(d).nwchem.inp (generated) 000000207.b3lyp_6-31g(d).log.xz 000000207.td-b3lyp_6-31g+(d).inp 000000207.td-b3lyp_6-31g+(d).log.xz

000000207.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000207.td-b3lyp_6-31+g(d).gjf (generated)

000000207.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000207.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000207.mol 000000207.PUBCHEM 000000207.mol (via Jmol)
000000208.b3lyp_6-31g(d).inp

000000208.b3lyp_6-31g(d).qchem.inp (generated)

000000208.b3lyp_6-31g(d).gjf (generated)

000000208.b3lyp_6-31g(d).firefly.inp (generated)

000000208.b3lyp_6-31g(d).smash.inp (generated)

000000208.b3lyp_6-31g(d).nwchem.inp (generated) 000000208.b3lyp_6-31g(d).log.xz 000000208.td-b3lyp_6-31g+(d).inp 000000208.td-b3lyp_6-31g+(d).log.xz

000000208.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000208.td-b3lyp_6-31+g(d).gjf (generated)

000000208.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000208.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000208.mol 000000208.PUBCHEM 000000208.mol (via Jmol)
000000211.b3lyp_6-31g(d).inp

000000211.b3lyp_6-31g(d).qchem.inp (generated)

000000211.b3lyp_6-31g(d).gjf (generated)

000000211.b3lyp_6-31g(d).firefly.inp (generated)

000000211.b3lyp_6-31g(d).smash.inp (generated)

000000211.b3lyp_6-31g(d).nwchem.inp (generated) 000000211.b3lyp_6-31g(d).log.xz 000000211.td-b3lyp_6-31g+(d).inp 000000211.td-b3lyp_6-31g+(d).log.xz

000000211.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000211.td-b3lyp_6-31+g(d).gjf (generated)

000000211.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000211.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000211.mol 000000211.PUBCHEM 000000211.mol (via Jmol)
000000212.b3lyp_6-31g(d).inp

000000212.b3lyp_6-31g(d).qchem.inp (generated)

000000212.b3lyp_6-31g(d).gjf (generated)

000000212.b3lyp_6-31g(d).firefly.inp (generated)

000000212.b3lyp_6-31g(d).smash.inp (generated)

000000212.b3lyp_6-31g(d).nwchem.inp (generated) 000000212.b3lyp_6-31g(d).log.xz 000000212.td-b3lyp_6-31g+(d).inp 000000212.td-b3lyp_6-31g+(d).log.xz

000000212.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000212.td-b3lyp_6-31+g(d).gjf (generated)

000000212.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000212.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000212.mol 000000212.PUBCHEM 000000212.mol (via Jmol)
000000213.b3lyp_6-31g(d).inp

000000213.b3lyp_6-31g(d).qchem.inp (generated)

000000213.b3lyp_6-31g(d).gjf (generated)

000000213.b3lyp_6-31g(d).firefly.inp (generated)

000000213.b3lyp_6-31g(d).smash.inp (generated)

000000213.b3lyp_6-31g(d).nwchem.inp (generated) 000000213.b3lyp_6-31g(d).log.xz 000000213.td-b3lyp_6-31g+(d).inp 000000213.td-b3lyp_6-31g+(d).log.xz

000000213.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000213.td-b3lyp_6-31+g(d).gjf (generated)

000000213.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000213.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000213.mol 000000213.PUBCHEM 000000213.mol (via Jmol)
000000214.b3lyp_6-31g(d).inp

000000214.b3lyp_6-31g(d).qchem.inp (generated)

000000214.b3lyp_6-31g(d).gjf (generated)

000000214.b3lyp_6-31g(d).firefly.inp (generated)

000000214.b3lyp_6-31g(d).smash.inp (generated)

000000214.b3lyp_6-31g(d).nwchem.inp (generated) 000000214.b3lyp_6-31g(d).log.xz 000000214.td-b3lyp_6-31g+(d).inp 000000214.td-b3lyp_6-31g+(d).log.xz

000000214.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000214.td-b3lyp_6-31+g(d).gjf (generated)

000000214.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000214.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000214.mol 000000214.PUBCHEM 000000214.mol (via Jmol)
000000215.b3lyp_6-31g(d).inp

000000215.b3lyp_6-31g(d).qchem.inp (generated)

000000215.b3lyp_6-31g(d).gjf (generated)

000000215.b3lyp_6-31g(d).firefly.inp (generated)

000000215.b3lyp_6-31g(d).smash.inp (generated)

000000215.b3lyp_6-31g(d).nwchem.inp (generated) 000000215.b3lyp_6-31g(d).log.xz 000000215.td-b3lyp_6-31g+(d).inp 000000215.td-b3lyp_6-31g+(d).log.xz

000000215.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000215.td-b3lyp_6-31+g(d).gjf (generated)

000000215.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000215.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000215.mol 000000215.PUBCHEM 000000215.mol (via Jmol)
000000216.b3lyp_6-31g(d).inp

000000216.b3lyp_6-31g(d).qchem.inp (generated)

000000216.b3lyp_6-31g(d).gjf (generated)

000000216.b3lyp_6-31g(d).firefly.inp (generated)

000000216.b3lyp_6-31g(d).smash.inp (generated)

000000216.b3lyp_6-31g(d).nwchem.inp (generated) 000000216.b3lyp_6-31g(d).log.xz 000000216.td-b3lyp_6-31g+(d).inp 000000216.td-b3lyp_6-31g+(d).log.xz

000000216.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000216.td-b3lyp_6-31+g(d).gjf (generated)

000000216.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000216.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000216.mol 000000216.PUBCHEM 000000216.mol (via Jmol)
000000217.b3lyp_6-31g(d).inp

000000217.b3lyp_6-31g(d).qchem.inp (generated)

000000217.b3lyp_6-31g(d).gjf (generated)

000000217.b3lyp_6-31g(d).firefly.inp (generated)

000000217.b3lyp_6-31g(d).smash.inp (generated)

000000217.b3lyp_6-31g(d).nwchem.inp (generated) 000000217.b3lyp_6-31g(d).log.xz 000000217.td-b3lyp_6-31g+(d).inp 000000217.td-b3lyp_6-31g+(d).log.xz

000000217.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000217.td-b3lyp_6-31+g(d).gjf (generated)

000000217.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000217.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000217.mol 000000217.PUBCHEM 000000217.mol (via Jmol)
000000218.b3lyp_6-31g(d).inp

000000218.b3lyp_6-31g(d).qchem.inp (generated)

000000218.b3lyp_6-31g(d).gjf (generated)

000000218.b3lyp_6-31g(d).firefly.inp (generated)

000000218.b3lyp_6-31g(d).smash.inp (generated)

000000218.b3lyp_6-31g(d).nwchem.inp (generated) 000000218.b3lyp_6-31g(d).log.xz 000000218.td-b3lyp_6-31g+(d).inp 000000218.td-b3lyp_6-31g+(d).log.xz

000000218.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000218.td-b3lyp_6-31+g(d).gjf (generated)

000000218.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000218.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000218.mol 000000218.PUBCHEM 000000218.mol (via Jmol)
000000219.b3lyp_6-31g(d).inp

000000219.b3lyp_6-31g(d).qchem.inp (generated)

000000219.b3lyp_6-31g(d).gjf (generated)

000000219.b3lyp_6-31g(d).firefly.inp (generated)

000000219.b3lyp_6-31g(d).smash.inp (generated)

000000219.b3lyp_6-31g(d).nwchem.inp (generated) 000000219.b3lyp_6-31g(d).log.xz 000000219.td-b3lyp_6-31g+(d).inp 000000219.td-b3lyp_6-31g+(d).log.xz

000000219.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000219.td-b3lyp_6-31+g(d).gjf (generated)

000000219.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000219.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000219.mol 000000219.PUBCHEM 000000219.mol (via Jmol)
000000220.b3lyp_6-31g(d).inp

000000220.b3lyp_6-31g(d).qchem.inp (generated)

000000220.b3lyp_6-31g(d).gjf (generated)

000000220.b3lyp_6-31g(d).firefly.inp (generated)

000000220.b3lyp_6-31g(d).smash.inp (generated)

000000220.b3lyp_6-31g(d).nwchem.inp (generated) 000000220.b3lyp_6-31g(d).log.xz 000000220.td-b3lyp_6-31g+(d).inp 000000220.td-b3lyp_6-31g+(d).log.xz

000000220.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000220.td-b3lyp_6-31+g(d).gjf (generated)

000000220.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000220.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000220.mol 000000220.PUBCHEM 000000220.mol (via Jmol)
000000221.b3lyp_6-31g(d).inp

000000221.b3lyp_6-31g(d).qchem.inp (generated)

000000221.b3lyp_6-31g(d).gjf (generated)

000000221.b3lyp_6-31g(d).firefly.inp (generated)

000000221.b3lyp_6-31g(d).smash.inp (generated)

000000221.b3lyp_6-31g(d).nwchem.inp (generated) 000000221.b3lyp_6-31g(d).log.xz 000000221.td-b3lyp_6-31g+(d).inp 000000221.td-b3lyp_6-31g+(d).log.xz

000000221.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000221.td-b3lyp_6-31+g(d).gjf (generated)

000000221.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000221.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000221.mol 000000221.PUBCHEM 000000221.mol (via Jmol)
000000222.b3lyp_6-31g(d).inp

000000222.b3lyp_6-31g(d).qchem.inp (generated)

000000222.b3lyp_6-31g(d).gjf (generated)

000000222.b3lyp_6-31g(d).firefly.inp (generated)

000000222.b3lyp_6-31g(d).smash.inp (generated)

000000222.b3lyp_6-31g(d).nwchem.inp (generated) 000000222.b3lyp_6-31g(d).log.xz 000000222.td-b3lyp_6-31g+(d).inp 000000222.td-b3lyp_6-31g+(d).log.xz

000000222.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000222.td-b3lyp_6-31+g(d).gjf (generated)

000000222.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000222.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000222.mol 000000222.PUBCHEM 000000222.mol (via Jmol)
000000223.b3lyp_6-31g(d).inp

000000223.b3lyp_6-31g(d).qchem.inp (generated)

000000223.b3lyp_6-31g(d).gjf (generated)

000000223.b3lyp_6-31g(d).firefly.inp (generated)

000000223.b3lyp_6-31g(d).smash.inp (generated)

000000223.b3lyp_6-31g(d).nwchem.inp (generated) 000000223.b3lyp_6-31g(d).log.xz 000000223.td-b3lyp_6-31g+(d).inp 000000223.td-b3lyp_6-31g+(d).log.xz

000000223.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000223.td-b3lyp_6-31+g(d).gjf (generated)

000000223.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000223.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000223.mol 000000223.PUBCHEM 000000223.mol (via Jmol)
000000224.b3lyp_6-31g(d).inp

000000224.b3lyp_6-31g(d).qchem.inp (generated)

000000224.b3lyp_6-31g(d).gjf (generated)

000000224.b3lyp_6-31g(d).firefly.inp (generated)

000000224.b3lyp_6-31g(d).smash.inp (generated)

000000224.b3lyp_6-31g(d).nwchem.inp (generated) 000000224.b3lyp_6-31g(d).log.xz 000000224.td-b3lyp_6-31g+(d).inp 000000224.td-b3lyp_6-31g+(d).log.xz

000000224.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000224.td-b3lyp_6-31+g(d).gjf (generated)

000000224.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000224.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000224.mol 000000224.PUBCHEM 000000224.mol (via Jmol)
000000225.b3lyp_6-31g(d).inp

000000225.b3lyp_6-31g(d).qchem.inp (generated)

000000225.b3lyp_6-31g(d).gjf (generated)

000000225.b3lyp_6-31g(d).firefly.inp (generated)

000000225.b3lyp_6-31g(d).smash.inp (generated)

000000225.b3lyp_6-31g(d).nwchem.inp (generated) 000000225.b3lyp_6-31g(d).log.xz 000000225.td-b3lyp_6-31g+(d).inp 000000225.td-b3lyp_6-31g+(d).log.xz

000000225.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000225.td-b3lyp_6-31+g(d).gjf (generated)

000000225.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000225.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000225.mol 000000225.PUBCHEM 000000225.mol (via Jmol)
000000226.b3lyp_6-31g(d).inp

000000226.b3lyp_6-31g(d).qchem.inp (generated)

000000226.b3lyp_6-31g(d).gjf (generated)

000000226.b3lyp_6-31g(d).firefly.inp (generated)

000000226.b3lyp_6-31g(d).smash.inp (generated)

000000226.b3lyp_6-31g(d).nwchem.inp (generated) 000000226.b3lyp_6-31g(d).log.xz 000000226.td-b3lyp_6-31g+(d).inp 000000226.td-b3lyp_6-31g+(d).log.xz

000000226.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000226.td-b3lyp_6-31+g(d).gjf (generated)

000000226.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000226.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000226.mol 000000226.PUBCHEM 000000226.mol (via Jmol)
000000227.b3lyp_6-31g(d).inp

000000227.b3lyp_6-31g(d).qchem.inp (generated)

000000227.b3lyp_6-31g(d).gjf (generated)

000000227.b3lyp_6-31g(d).firefly.inp (generated)

000000227.b3lyp_6-31g(d).smash.inp (generated)

000000227.b3lyp_6-31g(d).nwchem.inp (generated) 000000227.b3lyp_6-31g(d).log.xz 000000227.td-b3lyp_6-31g+(d).inp 000000227.td-b3lyp_6-31g+(d).log.xz

000000227.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000227.td-b3lyp_6-31+g(d).gjf (generated)

000000227.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000227.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000227.mol 000000227.PUBCHEM 000000227.mol (via Jmol)
000000229.b3lyp_6-31g(d).inp

000000229.b3lyp_6-31g(d).qchem.inp (generated)

000000229.b3lyp_6-31g(d).gjf (generated)

000000229.b3lyp_6-31g(d).firefly.inp (generated)

000000229.b3lyp_6-31g(d).smash.inp (generated)

000000229.b3lyp_6-31g(d).nwchem.inp (generated) 000000229.b3lyp_6-31g(d).log.xz 000000229.td-b3lyp_6-31g+(d).inp 000000229.td-b3lyp_6-31g+(d).log.xz

000000229.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000229.td-b3lyp_6-31+g(d).gjf (generated)

000000229.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000229.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000229.mol 000000229.PUBCHEM 000000229.mol (via Jmol)
000000230.b3lyp_6-31g(d).inp

000000230.b3lyp_6-31g(d).qchem.inp (generated)

000000230.b3lyp_6-31g(d).gjf (generated)

000000230.b3lyp_6-31g(d).firefly.inp (generated)

000000230.b3lyp_6-31g(d).smash.inp (generated)

000000230.b3lyp_6-31g(d).nwchem.inp (generated) 000000230.b3lyp_6-31g(d).log.xz 000000230.td-b3lyp_6-31g+(d).inp 000000230.td-b3lyp_6-31g+(d).log.xz

000000230.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000230.td-b3lyp_6-31+g(d).gjf (generated)

000000230.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000230.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000230.mol 000000230.PUBCHEM 000000230.mol (via Jmol)
000000231.b3lyp_6-31g(d).inp

000000231.b3lyp_6-31g(d).qchem.inp (generated)

000000231.b3lyp_6-31g(d).gjf (generated)

000000231.b3lyp_6-31g(d).firefly.inp (generated)

000000231.b3lyp_6-31g(d).smash.inp (generated)

000000231.b3lyp_6-31g(d).nwchem.inp (generated) 000000231.b3lyp_6-31g(d).log.xz 000000231.td-b3lyp_6-31g+(d).inp 000000231.td-b3lyp_6-31g+(d).log.xz

000000231.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000231.td-b3lyp_6-31+g(d).gjf (generated)

000000231.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000231.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000231.mol 000000231.PUBCHEM 000000231.mol (via Jmol)
000000232.b3lyp_6-31g(d).inp

000000232.b3lyp_6-31g(d).qchem.inp (generated)

000000232.b3lyp_6-31g(d).gjf (generated)

000000232.b3lyp_6-31g(d).firefly.inp (generated)

000000232.b3lyp_6-31g(d).smash.inp (generated)

000000232.b3lyp_6-31g(d).nwchem.inp (generated) 000000232.b3lyp_6-31g(d).log.xz 000000232.td-b3lyp_6-31g+(d).inp 000000232.td-b3lyp_6-31g+(d).log.xz

000000232.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000232.td-b3lyp_6-31+g(d).gjf (generated)

000000232.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000232.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000232.mol 000000232.PUBCHEM 000000232.mol (via Jmol)
000000233.b3lyp_6-31g(d).inp

000000233.b3lyp_6-31g(d).qchem.inp (generated)

000000233.b3lyp_6-31g(d).gjf (generated)

000000233.b3lyp_6-31g(d).firefly.inp (generated)

000000233.b3lyp_6-31g(d).smash.inp (generated)

000000233.b3lyp_6-31g(d).nwchem.inp (generated) 000000233.b3lyp_6-31g(d).log.xz 000000233.td-b3lyp_6-31g+(d).inp 000000233.td-b3lyp_6-31g+(d).log.xz

000000233.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000233.td-b3lyp_6-31+g(d).gjf (generated)

000000233.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000233.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000233.mol 000000233.PUBCHEM 000000233.mol (via Jmol)
000000234.b3lyp_6-31g(d).inp

000000234.b3lyp_6-31g(d).qchem.inp (generated)

000000234.b3lyp_6-31g(d).gjf (generated)

000000234.b3lyp_6-31g(d).firefly.inp (generated)

000000234.b3lyp_6-31g(d).smash.inp (generated)

000000234.b3lyp_6-31g(d).nwchem.inp (generated) 000000234.b3lyp_6-31g(d).log.xz 000000234.td-b3lyp_6-31g+(d).inp 000000234.td-b3lyp_6-31g+(d).log.xz

000000234.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000234.td-b3lyp_6-31+g(d).gjf (generated)

000000234.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000234.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000234.mol 000000234.PUBCHEM 000000234.mol (via Jmol)
000000236.b3lyp_6-31g(d).inp

000000236.b3lyp_6-31g(d).qchem.inp (generated)

000000236.b3lyp_6-31g(d).gjf (generated)

000000236.b3lyp_6-31g(d).firefly.inp (generated)

000000236.b3lyp_6-31g(d).smash.inp (generated)

000000236.b3lyp_6-31g(d).nwchem.inp (generated) 000000236.b3lyp_6-31g(d).log.xz 000000236.td-b3lyp_6-31g+(d).inp 000000236.td-b3lyp_6-31g+(d).log.xz

000000236.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000236.td-b3lyp_6-31+g(d).gjf (generated)

000000236.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000236.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000236.mol 000000236.PUBCHEM 000000236.mol (via Jmol)
000000237.b3lyp_6-31g(d).inp

000000237.b3lyp_6-31g(d).qchem.inp (generated)

000000237.b3lyp_6-31g(d).gjf (generated)

000000237.b3lyp_6-31g(d).firefly.inp (generated)

000000237.b3lyp_6-31g(d).smash.inp (generated)

000000237.b3lyp_6-31g(d).nwchem.inp (generated) 000000237.b3lyp_6-31g(d).log.xz 000000237.td-b3lyp_6-31g+(d).inp 000000237.td-b3lyp_6-31g+(d).log.xz

000000237.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000237.td-b3lyp_6-31+g(d).gjf (generated)

000000237.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000237.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000237.mol 000000237.PUBCHEM 000000237.mol (via Jmol)
000000239.b3lyp_6-31g(d).inp

000000239.b3lyp_6-31g(d).qchem.inp (generated)

000000239.b3lyp_6-31g(d).gjf (generated)

000000239.b3lyp_6-31g(d).firefly.inp (generated)

000000239.b3lyp_6-31g(d).smash.inp (generated)

000000239.b3lyp_6-31g(d).nwchem.inp (generated) 000000239.b3lyp_6-31g(d).log.xz 000000239.td-b3lyp_6-31g+(d).inp 000000239.td-b3lyp_6-31g+(d).log.xz

000000239.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000239.td-b3lyp_6-31+g(d).gjf (generated)

000000239.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000239.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000239.mol 000000239.PUBCHEM 000000239.mol (via Jmol)
000000240.b3lyp_6-31g(d).inp

000000240.b3lyp_6-31g(d).qchem.inp (generated)

000000240.b3lyp_6-31g(d).gjf (generated)

000000240.b3lyp_6-31g(d).firefly.inp (generated)

000000240.b3lyp_6-31g(d).smash.inp (generated)

000000240.b3lyp_6-31g(d).nwchem.inp (generated) 000000240.b3lyp_6-31g(d).log.xz 000000240.td-b3lyp_6-31g+(d).inp 000000240.td-b3lyp_6-31g+(d).log.xz

000000240.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000240.td-b3lyp_6-31+g(d).gjf (generated)

000000240.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000240.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000240.mol 000000240.PUBCHEM 000000240.mol (via Jmol)
000000241.b3lyp_6-31g(d).inp

000000241.b3lyp_6-31g(d).qchem.inp (generated)

000000241.b3lyp_6-31g(d).gjf (generated)

000000241.b3lyp_6-31g(d).firefly.inp (generated)

000000241.b3lyp_6-31g(d).smash.inp (generated)

000000241.b3lyp_6-31g(d).nwchem.inp (generated) 000000241.b3lyp_6-31g(d).log.xz 000000241.td-b3lyp_6-31g+(d).inp 000000241.td-b3lyp_6-31g+(d).log.xz

000000241.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000241.td-b3lyp_6-31+g(d).gjf (generated)

000000241.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000241.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000241.mol 000000241.PUBCHEM 000000241.mol (via Jmol)
000000242.b3lyp_6-31g(d).inp

000000242.b3lyp_6-31g(d).qchem.inp (generated)

000000242.b3lyp_6-31g(d).gjf (generated)

000000242.b3lyp_6-31g(d).firefly.inp (generated)

000000242.b3lyp_6-31g(d).smash.inp (generated)

000000242.b3lyp_6-31g(d).nwchem.inp (generated) 000000242.b3lyp_6-31g(d).log.xz 000000242.td-b3lyp_6-31g+(d).inp 000000242.td-b3lyp_6-31g+(d).log.xz

000000242.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000242.td-b3lyp_6-31+g(d).gjf (generated)

000000242.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000242.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000242.mol 000000242.PUBCHEM 000000242.mol (via Jmol)
000000243.b3lyp_6-31g(d).inp

000000243.b3lyp_6-31g(d).qchem.inp (generated)

000000243.b3lyp_6-31g(d).gjf (generated)

000000243.b3lyp_6-31g(d).firefly.inp (generated)

000000243.b3lyp_6-31g(d).smash.inp (generated)

000000243.b3lyp_6-31g(d).nwchem.inp (generated) 000000243.b3lyp_6-31g(d).log.xz 000000243.td-b3lyp_6-31g+(d).inp 000000243.td-b3lyp_6-31g+(d).log.xz

000000243.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000243.td-b3lyp_6-31+g(d).gjf (generated)

000000243.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000243.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000243.mol 000000243.PUBCHEM 000000243.mol (via Jmol)
000000244.b3lyp_6-31g(d).inp

000000244.b3lyp_6-31g(d).qchem.inp (generated)

000000244.b3lyp_6-31g(d).gjf (generated)

000000244.b3lyp_6-31g(d).firefly.inp (generated)

000000244.b3lyp_6-31g(d).smash.inp (generated)

000000244.b3lyp_6-31g(d).nwchem.inp (generated) 000000244.b3lyp_6-31g(d).log.xz 000000244.td-b3lyp_6-31g+(d).inp 000000244.td-b3lyp_6-31g+(d).log.xz

000000244.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000244.td-b3lyp_6-31+g(d).gjf (generated)

000000244.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000244.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000244.mol 000000244.PUBCHEM 000000244.mol (via Jmol)
000000245.b3lyp_6-31g(d).inp

000000245.b3lyp_6-31g(d).qchem.inp (generated)

000000245.b3lyp_6-31g(d).gjf (generated)

000000245.b3lyp_6-31g(d).firefly.inp (generated)

000000245.b3lyp_6-31g(d).smash.inp (generated)

000000245.b3lyp_6-31g(d).nwchem.inp (generated) 000000245.b3lyp_6-31g(d).log.xz 000000245.td-b3lyp_6-31g+(d).inp 000000245.td-b3lyp_6-31g+(d).log.xz

000000245.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000245.td-b3lyp_6-31+g(d).gjf (generated)

000000245.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000245.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000245.mol 000000245.PUBCHEM 000000245.mol (via Jmol)
000000247.b3lyp_6-31g(d).inp

000000247.b3lyp_6-31g(d).qchem.inp (generated)

000000247.b3lyp_6-31g(d).gjf (generated)

000000247.b3lyp_6-31g(d).firefly.inp (generated)

000000247.b3lyp_6-31g(d).smash.inp (generated)

000000247.b3lyp_6-31g(d).nwchem.inp (generated) 000000247.b3lyp_6-31g(d).log.xz 000000247.td-b3lyp_6-31g+(d).inp 000000247.td-b3lyp_6-31g+(d).log.xz

000000247.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000247.td-b3lyp_6-31+g(d).gjf (generated)

000000247.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000247.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000247.mol 000000247.PUBCHEM 000000247.mol (via Jmol)
000000248.b3lyp_6-31g(d).inp

000000248.b3lyp_6-31g(d).qchem.inp (generated)

000000248.b3lyp_6-31g(d).gjf (generated)

000000248.b3lyp_6-31g(d).firefly.inp (generated)

000000248.b3lyp_6-31g(d).smash.inp (generated)

000000248.b3lyp_6-31g(d).nwchem.inp (generated) 000000248.b3lyp_6-31g(d).log.xz 000000248.td-b3lyp_6-31g+(d).inp 000000248.td-b3lyp_6-31g+(d).log.xz

000000248.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000248.td-b3lyp_6-31+g(d).gjf (generated)

000000248.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000248.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000248.mol 000000248.PUBCHEM 000000248.mol (via Jmol)
000000249.b3lyp_6-31g(d).inp

000000249.b3lyp_6-31g(d).qchem.inp (generated)

000000249.b3lyp_6-31g(d).gjf (generated)

000000249.b3lyp_6-31g(d).firefly.inp (generated)

000000249.b3lyp_6-31g(d).smash.inp (generated)

000000249.b3lyp_6-31g(d).nwchem.inp (generated) 000000249.b3lyp_6-31g(d).log.xz 000000249.td-b3lyp_6-31g+(d).inp 000000249.td-b3lyp_6-31g+(d).log.xz

000000249.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000249.td-b3lyp_6-31+g(d).gjf (generated)

000000249.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000249.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000249.mol 000000249.PUBCHEM 000000249.mol (via Jmol)
000000252.b3lyp_6-31g(d).inp

000000252.b3lyp_6-31g(d).qchem.inp (generated)

000000252.b3lyp_6-31g(d).gjf (generated)

000000252.b3lyp_6-31g(d).firefly.inp (generated)

000000252.b3lyp_6-31g(d).smash.inp (generated)

000000252.b3lyp_6-31g(d).nwchem.inp (generated) 000000252.b3lyp_6-31g(d).log.xz 000000252.td-b3lyp_6-31g+(d).inp 000000252.td-b3lyp_6-31g+(d).log.xz

000000252.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000252.td-b3lyp_6-31+g(d).gjf (generated)

000000252.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000252.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000252.mol 000000252.PUBCHEM 000000252.mol (via Jmol)
000000253.b3lyp_6-31g(d).inp

000000253.b3lyp_6-31g(d).qchem.inp (generated)

000000253.b3lyp_6-31g(d).gjf (generated)

000000253.b3lyp_6-31g(d).firefly.inp (generated)

000000253.b3lyp_6-31g(d).smash.inp (generated)

000000253.b3lyp_6-31g(d).nwchem.inp (generated) 000000253.b3lyp_6-31g(d).log.xz 000000253.td-b3lyp_6-31g+(d).inp 000000253.td-b3lyp_6-31g+(d).log.xz

000000253.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000253.td-b3lyp_6-31+g(d).gjf (generated)

000000253.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000253.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000253.mol 000000253.PUBCHEM 000000253.mol (via Jmol)
000000254.b3lyp_6-31g(d).inp

000000254.b3lyp_6-31g(d).qchem.inp (generated)

000000254.b3lyp_6-31g(d).gjf (generated)

000000254.b3lyp_6-31g(d).firefly.inp (generated)

000000254.b3lyp_6-31g(d).smash.inp (generated)

000000254.b3lyp_6-31g(d).nwchem.inp (generated) 000000254.b3lyp_6-31g(d).log.xz 000000254.td-b3lyp_6-31g+(d).inp 000000254.td-b3lyp_6-31g+(d).log.xz

000000254.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000254.td-b3lyp_6-31+g(d).gjf (generated)

000000254.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000254.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000254.mol 000000254.PUBCHEM 000000254.mol (via Jmol)
000000255.b3lyp_6-31g(d).inp

000000255.b3lyp_6-31g(d).qchem.inp (generated)

000000255.b3lyp_6-31g(d).gjf (generated)

000000255.b3lyp_6-31g(d).firefly.inp (generated)

000000255.b3lyp_6-31g(d).smash.inp (generated)

000000255.b3lyp_6-31g(d).nwchem.inp (generated) 000000255.b3lyp_6-31g(d).log.xz 000000255.td-b3lyp_6-31g+(d).inp 000000255.td-b3lyp_6-31g+(d).log.xz

000000255.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000255.td-b3lyp_6-31+g(d).gjf (generated)

000000255.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000255.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000255.mol 000000255.PUBCHEM 000000255.mol (via Jmol)
000000258.b3lyp_6-31g(d).inp

000000258.b3lyp_6-31g(d).qchem.inp (generated)

000000258.b3lyp_6-31g(d).gjf (generated)

000000258.b3lyp_6-31g(d).firefly.inp (generated)

000000258.b3lyp_6-31g(d).smash.inp (generated)

000000258.b3lyp_6-31g(d).nwchem.inp (generated) 000000258.b3lyp_6-31g(d).log.xz 000000258.td-b3lyp_6-31g+(d).inp 000000258.td-b3lyp_6-31g+(d).log.xz

000000258.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000258.td-b3lyp_6-31+g(d).gjf (generated)

000000258.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000258.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000258.mol 000000258.PUBCHEM 000000258.mol (via Jmol)
000000259.b3lyp_6-31g(d).inp

000000259.b3lyp_6-31g(d).qchem.inp (generated)

000000259.b3lyp_6-31g(d).gjf (generated)

000000259.b3lyp_6-31g(d).firefly.inp (generated)

000000259.b3lyp_6-31g(d).smash.inp (generated)

000000259.b3lyp_6-31g(d).nwchem.inp (generated) 000000259.b3lyp_6-31g(d).log.xz 000000259.td-b3lyp_6-31g+(d).inp 000000259.td-b3lyp_6-31g+(d).log.xz

000000259.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000259.td-b3lyp_6-31+g(d).gjf (generated)

000000259.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000259.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000259.mol 000000259.PUBCHEM 000000259.mol (via Jmol)
000000260.b3lyp_6-31g(d).inp

000000260.b3lyp_6-31g(d).qchem.inp (generated)

000000260.b3lyp_6-31g(d).gjf (generated)

000000260.b3lyp_6-31g(d).firefly.inp (generated)

000000260.b3lyp_6-31g(d).smash.inp (generated)

000000260.b3lyp_6-31g(d).nwchem.inp (generated) 000000260.b3lyp_6-31g(d).log.xz 000000260.td-b3lyp_6-31g+(d).inp 000000260.td-b3lyp_6-31g+(d).log.xz

000000260.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000260.td-b3lyp_6-31+g(d).gjf (generated)

000000260.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000260.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000260.mol 000000260.PUBCHEM 000000260.mol (via Jmol)
000000261.b3lyp_6-31g(d).inp

000000261.b3lyp_6-31g(d).qchem.inp (generated)

000000261.b3lyp_6-31g(d).gjf (generated)

000000261.b3lyp_6-31g(d).firefly.inp (generated)

000000261.b3lyp_6-31g(d).smash.inp (generated)

000000261.b3lyp_6-31g(d).nwchem.inp (generated) 000000261.b3lyp_6-31g(d).log.xz 000000261.td-b3lyp_6-31g+(d).inp 000000261.td-b3lyp_6-31g+(d).log.xz

000000261.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000261.td-b3lyp_6-31+g(d).gjf (generated)

000000261.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000261.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000261.mol 000000261.PUBCHEM 000000261.mol (via Jmol)
000000262.b3lyp_6-31g(d).inp

000000262.b3lyp_6-31g(d).qchem.inp (generated)

000000262.b3lyp_6-31g(d).gjf (generated)

000000262.b3lyp_6-31g(d).firefly.inp (generated)

000000262.b3lyp_6-31g(d).smash.inp (generated)

000000262.b3lyp_6-31g(d).nwchem.inp (generated) 000000262.b3lyp_6-31g(d).log.xz 000000262.td-b3lyp_6-31g+(d).inp 000000262.td-b3lyp_6-31g+(d).log.xz

000000262.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000262.td-b3lyp_6-31+g(d).gjf (generated)

000000262.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000262.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000262.mol 000000262.PUBCHEM 000000262.mol (via Jmol)
000000263.b3lyp_6-31g(d).inp

000000263.b3lyp_6-31g(d).qchem.inp (generated)

000000263.b3lyp_6-31g(d).gjf (generated)

000000263.b3lyp_6-31g(d).firefly.inp (generated)

000000263.b3lyp_6-31g(d).smash.inp (generated)

000000263.b3lyp_6-31g(d).nwchem.inp (generated) 000000263.b3lyp_6-31g(d).log.xz 000000263.td-b3lyp_6-31g+(d).inp 000000263.td-b3lyp_6-31g+(d).log.xz

000000263.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000263.td-b3lyp_6-31+g(d).gjf (generated)

000000263.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000263.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000263.mol 000000263.PUBCHEM 000000263.mol (via Jmol)
000000264.b3lyp_6-31g(d).inp

000000264.b3lyp_6-31g(d).qchem.inp (generated)

000000264.b3lyp_6-31g(d).gjf (generated)

000000264.b3lyp_6-31g(d).firefly.inp (generated)

000000264.b3lyp_6-31g(d).smash.inp (generated)

000000264.b3lyp_6-31g(d).nwchem.inp (generated) 000000264.b3lyp_6-31g(d).log.xz 000000264.td-b3lyp_6-31g+(d).inp 000000264.td-b3lyp_6-31g+(d).log.xz

000000264.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000264.td-b3lyp_6-31+g(d).gjf (generated)

000000264.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000264.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000264.mol 000000264.PUBCHEM 000000264.mol (via Jmol)
000000266.b3lyp_6-31g(d).inp

000000266.b3lyp_6-31g(d).qchem.inp (generated)

000000266.b3lyp_6-31g(d).gjf (generated)

000000266.b3lyp_6-31g(d).firefly.inp (generated)

000000266.b3lyp_6-31g(d).smash.inp (generated)

000000266.b3lyp_6-31g(d).nwchem.inp (generated) 000000266.b3lyp_6-31g(d).log.xz 000000266.td-b3lyp_6-31g+(d).inp 000000266.td-b3lyp_6-31g+(d).log.xz

000000266.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000266.td-b3lyp_6-31+g(d).gjf (generated)

000000266.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000266.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000266.mol 000000266.PUBCHEM 000000266.mol (via Jmol)
000000271.b3lyp_6-31g(d).inp

000000271.b3lyp_6-31g(d).qchem.inp (generated)

000000271.b3lyp_6-31g(d).gjf (generated)

000000271.b3lyp_6-31g(d).firefly.inp (generated)

000000271.b3lyp_6-31g(d).smash.inp (generated)

000000271.b3lyp_6-31g(d).nwchem.inp (generated) 000000271.b3lyp_6-31g(d).log.xz 000000271.mol 000000271.PUBCHEM 000000271.mol (via Jmol)
000000273.b3lyp_6-31g(d).inp

000000273.b3lyp_6-31g(d).qchem.inp (generated)

000000273.b3lyp_6-31g(d).gjf (generated)

000000273.b3lyp_6-31g(d).firefly.inp (generated)

000000273.b3lyp_6-31g(d).smash.inp (generated)

000000273.b3lyp_6-31g(d).nwchem.inp (generated) 000000273.b3lyp_6-31g(d).log.xz 000000273.td-b3lyp_6-31g+(d).inp 000000273.td-b3lyp_6-31g+(d).log.xz

000000273.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000273.td-b3lyp_6-31+g(d).gjf (generated)

000000273.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000273.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000273.mol 000000273.PUBCHEM 000000273.mol (via Jmol)
000000274.b3lyp_6-31g(d).inp

000000274.b3lyp_6-31g(d).qchem.inp (generated)

000000274.b3lyp_6-31g(d).gjf (generated)

000000274.b3lyp_6-31g(d).firefly.inp (generated)

000000274.b3lyp_6-31g(d).smash.inp (generated)

000000274.b3lyp_6-31g(d).nwchem.inp (generated) 000000274.b3lyp_6-31g(d).log.xz 000000274.td-b3lyp_6-31g+(d).inp 000000274.td-b3lyp_6-31g+(d).log.xz

000000274.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000274.td-b3lyp_6-31+g(d).gjf (generated)

000000274.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000274.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000274.mol 000000274.PUBCHEM 000000274.mol (via Jmol)
000000275.b3lyp_6-31g(d).inp

000000275.b3lyp_6-31g(d).qchem.inp (generated)

000000275.b3lyp_6-31g(d).gjf (generated)

000000275.b3lyp_6-31g(d).firefly.inp (generated)

000000275.b3lyp_6-31g(d).smash.inp (generated)

000000275.b3lyp_6-31g(d).nwchem.inp (generated) 000000275.b3lyp_6-31g(d).log.xz 000000275.td-b3lyp_6-31g+(d).inp 000000275.td-b3lyp_6-31g+(d).log.xz

000000275.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000275.td-b3lyp_6-31+g(d).gjf (generated)

000000275.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000275.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000275.mol 000000275.PUBCHEM 000000275.mol (via Jmol)
000000276.b3lyp_6-31g(d).inp

000000276.b3lyp_6-31g(d).qchem.inp (generated)

000000276.b3lyp_6-31g(d).gjf (generated)

000000276.b3lyp_6-31g(d).firefly.inp (generated)

000000276.b3lyp_6-31g(d).smash.inp (generated)

000000276.b3lyp_6-31g(d).nwchem.inp (generated) 000000276.b3lyp_6-31g(d).log.xz 000000276.td-b3lyp_6-31g+(d).inp 000000276.td-b3lyp_6-31g+(d).log.xz

000000276.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000276.td-b3lyp_6-31+g(d).gjf (generated)

000000276.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000276.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000276.mol 000000276.PUBCHEM 000000276.mol (via Jmol)
000000277.b3lyp_6-31g(d).inp

000000277.b3lyp_6-31g(d).qchem.inp (generated)

000000277.b3lyp_6-31g(d).gjf (generated)

000000277.b3lyp_6-31g(d).firefly.inp (generated)

000000277.b3lyp_6-31g(d).smash.inp (generated)

000000277.b3lyp_6-31g(d).nwchem.inp (generated) 000000277.b3lyp_6-31g(d).log.xz 000000277.td-b3lyp_6-31g+(d).inp 000000277.td-b3lyp_6-31g+(d).log.xz

000000277.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000277.td-b3lyp_6-31+g(d).gjf (generated)

000000277.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000277.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000277.mol 000000277.PUBCHEM 000000277.mol (via Jmol)
000000278.b3lyp_6-31g(d).inp

000000278.b3lyp_6-31g(d).qchem.inp (generated)

000000278.b3lyp_6-31g(d).gjf (generated)

000000278.b3lyp_6-31g(d).firefly.inp (generated)

000000278.b3lyp_6-31g(d).smash.inp (generated)

000000278.b3lyp_6-31g(d).nwchem.inp (generated) 000000278.b3lyp_6-31g(d).log.xz 000000278.td-b3lyp_6-31g+(d).inp 000000278.td-b3lyp_6-31g+(d).log.xz

000000278.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000278.td-b3lyp_6-31+g(d).gjf (generated)

000000278.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000278.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000278.mol 000000278.PUBCHEM 000000278.mol (via Jmol)
000000279.b3lyp_6-31g(d).inp

000000279.b3lyp_6-31g(d).qchem.inp (generated)

000000279.b3lyp_6-31g(d).gjf (generated)

000000279.b3lyp_6-31g(d).firefly.inp (generated)

000000279.b3lyp_6-31g(d).smash.inp (generated)

000000279.b3lyp_6-31g(d).nwchem.inp (generated) 000000279.b3lyp_6-31g(d).log.xz 000000279.td-b3lyp_6-31g+(d).inp 000000279.td-b3lyp_6-31g+(d).log.xz

000000279.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000279.td-b3lyp_6-31+g(d).gjf (generated)

000000279.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000279.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000279.mol 000000279.PUBCHEM 000000279.mol (via Jmol)
000000280.b3lyp_6-31g(d).inp

000000280.b3lyp_6-31g(d).qchem.inp (generated)

000000280.b3lyp_6-31g(d).gjf (generated)

000000280.b3lyp_6-31g(d).firefly.inp (generated)

000000280.b3lyp_6-31g(d).smash.inp (generated)

000000280.b3lyp_6-31g(d).nwchem.inp (generated) 000000280.b3lyp_6-31g(d).log.xz 000000280.td-b3lyp_6-31g+(d).inp 000000280.td-b3lyp_6-31g+(d).log.xz

000000280.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000280.td-b3lyp_6-31+g(d).gjf (generated)

000000280.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000280.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000280.mol 000000280.PUBCHEM 000000280.mol (via Jmol)
000000281.b3lyp_6-31g(d).inp

000000281.b3lyp_6-31g(d).qchem.inp (generated)

000000281.b3lyp_6-31g(d).gjf (generated)

000000281.b3lyp_6-31g(d).firefly.inp (generated)

000000281.b3lyp_6-31g(d).smash.inp (generated)

000000281.b3lyp_6-31g(d).nwchem.inp (generated) 000000281.b3lyp_6-31g(d).log.xz 000000281.td-b3lyp_6-31g+(d).inp 000000281.td-b3lyp_6-31g+(d).log.xz

000000281.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000281.td-b3lyp_6-31+g(d).gjf (generated)

000000281.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000281.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000281.mol 000000281.PUBCHEM 000000281.mol (via Jmol)
000000282.b3lyp_6-31g(d).inp

000000282.b3lyp_6-31g(d).qchem.inp (generated)

000000282.b3lyp_6-31g(d).gjf (generated)

000000282.b3lyp_6-31g(d).firefly.inp (generated)

000000282.b3lyp_6-31g(d).smash.inp (generated)

000000282.b3lyp_6-31g(d).nwchem.inp (generated) 000000282.b3lyp_6-31g(d).log.xz 000000282.td-b3lyp_6-31g+(d).inp 000000282.td-b3lyp_6-31g+(d).log.xz

000000282.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000282.td-b3lyp_6-31+g(d).gjf (generated)

000000282.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000282.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000282.mol 000000282.PUBCHEM 000000282.mol (via Jmol)
000000284.b3lyp_6-31g(d).inp

000000284.b3lyp_6-31g(d).qchem.inp (generated)

000000284.b3lyp_6-31g(d).gjf (generated)

000000284.b3lyp_6-31g(d).firefly.inp (generated)

000000284.b3lyp_6-31g(d).smash.inp (generated)

000000284.b3lyp_6-31g(d).nwchem.inp (generated) 000000284.b3lyp_6-31g(d).log.xz 000000284.td-b3lyp_6-31g+(d).inp 000000284.td-b3lyp_6-31g+(d).log.xz

000000284.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000284.td-b3lyp_6-31+g(d).gjf (generated)

000000284.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000284.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000284.mol 000000284.PUBCHEM 000000284.mol (via Jmol)
000000285.b3lyp_6-31g(d).inp

000000285.b3lyp_6-31g(d).qchem.inp (generated)

000000285.b3lyp_6-31g(d).gjf (generated)

000000285.b3lyp_6-31g(d).firefly.inp (generated)

000000285.b3lyp_6-31g(d).smash.inp (generated)

000000285.b3lyp_6-31g(d).nwchem.inp (generated) 000000285.b3lyp_6-31g(d).log.xz 000000285.td-b3lyp_6-31g+(d).inp 000000285.td-b3lyp_6-31g+(d).log.xz

000000285.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000285.td-b3lyp_6-31+g(d).gjf (generated)

000000285.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000285.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000285.mol 000000285.PUBCHEM 000000285.mol (via Jmol)
000000286.b3lyp_6-31g(d).inp

000000286.b3lyp_6-31g(d).qchem.inp (generated)

000000286.b3lyp_6-31g(d).gjf (generated)

000000286.b3lyp_6-31g(d).firefly.inp (generated)

000000286.b3lyp_6-31g(d).smash.inp (generated)

000000286.b3lyp_6-31g(d).nwchem.inp (generated) 000000286.b3lyp_6-31g(d).log.xz 000000286.td-b3lyp_6-31g+(d).inp 000000286.td-b3lyp_6-31g+(d).log.xz

000000286.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000286.td-b3lyp_6-31+g(d).gjf (generated)

000000286.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000286.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000286.mol 000000286.PUBCHEM 000000286.mol (via Jmol)
000000287.b3lyp_6-31g(d).inp

000000287.b3lyp_6-31g(d).qchem.inp (generated)

000000287.b3lyp_6-31g(d).gjf (generated)

000000287.b3lyp_6-31g(d).firefly.inp (generated)

000000287.b3lyp_6-31g(d).smash.inp (generated)

000000287.b3lyp_6-31g(d).nwchem.inp (generated) 000000287.b3lyp_6-31g(d).log.xz 000000287.td-b3lyp_6-31g+(d).inp 000000287.td-b3lyp_6-31g+(d).log.xz

000000287.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000287.td-b3lyp_6-31+g(d).gjf (generated)

000000287.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000287.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000287.mol 000000287.PUBCHEM 000000287.mol (via Jmol)
000000288.b3lyp_6-31g(d).inp

000000288.b3lyp_6-31g(d).qchem.inp (generated)

000000288.b3lyp_6-31g(d).gjf (generated)

000000288.b3lyp_6-31g(d).firefly.inp (generated)

000000288.b3lyp_6-31g(d).smash.inp (generated)

000000288.b3lyp_6-31g(d).nwchem.inp (generated) 000000288.b3lyp_6-31g(d).log.xz 000000288.td-b3lyp_6-31g+(d).inp 000000288.td-b3lyp_6-31g+(d).log.xz

000000288.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000288.td-b3lyp_6-31+g(d).gjf (generated)

000000288.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000288.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000288.mol 000000288.PUBCHEM 000000288.mol (via Jmol)
000000289.b3lyp_6-31g(d).inp

000000289.b3lyp_6-31g(d).qchem.inp (generated)

000000289.b3lyp_6-31g(d).gjf (generated)

000000289.b3lyp_6-31g(d).firefly.inp (generated)

000000289.b3lyp_6-31g(d).smash.inp (generated)

000000289.b3lyp_6-31g(d).nwchem.inp (generated) 000000289.b3lyp_6-31g(d).log.xz 000000289.td-b3lyp_6-31g+(d).inp 000000289.td-b3lyp_6-31g+(d).log.xz

000000289.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000289.td-b3lyp_6-31+g(d).gjf (generated)

000000289.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000289.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000289.mol 000000289.PUBCHEM 000000289.mol (via Jmol)
000000290.b3lyp_6-31g(d).inp

000000290.b3lyp_6-31g(d).qchem.inp (generated)

000000290.b3lyp_6-31g(d).gjf (generated)

000000290.b3lyp_6-31g(d).firefly.inp (generated)

000000290.b3lyp_6-31g(d).smash.inp (generated)

000000290.b3lyp_6-31g(d).nwchem.inp (generated) 000000290.b3lyp_6-31g(d).log.xz 000000290.td-b3lyp_6-31g+(d).inp 000000290.td-b3lyp_6-31g+(d).log.xz

000000290.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000290.td-b3lyp_6-31+g(d).gjf (generated)

000000290.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000290.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000290.mol 000000290.PUBCHEM 000000290.mol (via Jmol)
000000293.b3lyp_6-31g(d).inp

000000293.b3lyp_6-31g(d).qchem.inp (generated)

000000293.b3lyp_6-31g(d).gjf (generated)

000000293.b3lyp_6-31g(d).firefly.inp (generated)

000000293.b3lyp_6-31g(d).smash.inp (generated)

000000293.b3lyp_6-31g(d).nwchem.inp (generated) 000000293.b3lyp_6-31g(d).log.xz 000000293.td-b3lyp_6-31g+(d).inp 000000293.td-b3lyp_6-31g+(d).log.xz

000000293.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000293.td-b3lyp_6-31+g(d).gjf (generated)

000000293.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000293.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000293.mol 000000293.PUBCHEM 000000293.mol (via Jmol)
000000294.b3lyp_6-31g(d).inp

000000294.b3lyp_6-31g(d).qchem.inp (generated)

000000294.b3lyp_6-31g(d).gjf (generated)

000000294.b3lyp_6-31g(d).firefly.inp (generated)

000000294.b3lyp_6-31g(d).smash.inp (generated)

000000294.b3lyp_6-31g(d).nwchem.inp (generated) 000000294.b3lyp_6-31g(d).log.xz 000000294.td-b3lyp_6-31g+(d).inp 000000294.td-b3lyp_6-31g+(d).log.xz

000000294.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000294.td-b3lyp_6-31+g(d).gjf (generated)

000000294.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000294.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000294.mol 000000294.PUBCHEM 000000294.mol (via Jmol)
000000295.b3lyp_6-31g(d).inp

000000295.b3lyp_6-31g(d).qchem.inp (generated)

000000295.b3lyp_6-31g(d).gjf (generated)

000000295.b3lyp_6-31g(d).firefly.inp (generated)

000000295.b3lyp_6-31g(d).smash.inp (generated)

000000295.b3lyp_6-31g(d).nwchem.inp (generated) 000000295.b3lyp_6-31g(d).log.xz 000000295.td-b3lyp_6-31g+(d).inp 000000295.td-b3lyp_6-31g+(d).log.xz

000000295.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000295.td-b3lyp_6-31+g(d).gjf (generated)

000000295.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000295.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000295.mol 000000295.PUBCHEM 000000295.mol (via Jmol)
000000296.b3lyp_6-31g(d).inp

000000296.b3lyp_6-31g(d).qchem.inp (generated)

000000296.b3lyp_6-31g(d).gjf (generated)

000000296.b3lyp_6-31g(d).firefly.inp (generated)

000000296.b3lyp_6-31g(d).smash.inp (generated)

000000296.b3lyp_6-31g(d).nwchem.inp (generated) 000000296.b3lyp_6-31g(d).log.xz 000000296.td-b3lyp_6-31g+(d).inp 000000296.td-b3lyp_6-31g+(d).log.xz

000000296.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000296.td-b3lyp_6-31+g(d).gjf (generated)

000000296.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000296.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000296.mol 000000296.PUBCHEM 000000296.mol (via Jmol)
000000297.b3lyp_6-31g(d).inp

000000297.b3lyp_6-31g(d).qchem.inp (generated)

000000297.b3lyp_6-31g(d).gjf (generated)

000000297.b3lyp_6-31g(d).firefly.inp (generated)

000000297.b3lyp_6-31g(d).smash.inp (generated)

000000297.b3lyp_6-31g(d).nwchem.inp (generated) 000000297.b3lyp_6-31g(d).log.xz 000000297.td-b3lyp_6-31g+(d).inp 000000297.td-b3lyp_6-31g+(d).log.xz

000000297.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000297.td-b3lyp_6-31+g(d).gjf (generated)

000000297.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000297.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000297.mol 000000297.PUBCHEM 000000297.mol (via Jmol)
000000298.b3lyp_6-31g(d).inp

000000298.b3lyp_6-31g(d).qchem.inp (generated)

000000298.b3lyp_6-31g(d).gjf (generated)

000000298.b3lyp_6-31g(d).firefly.inp (generated)

000000298.b3lyp_6-31g(d).smash.inp (generated)

000000298.b3lyp_6-31g(d).nwchem.inp (generated) 000000298.b3lyp_6-31g(d).log.xz 000000298.td-b3lyp_6-31g+(d).inp 000000298.td-b3lyp_6-31g+(d).log.xz

000000298.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000298.td-b3lyp_6-31+g(d).gjf (generated)

000000298.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000298.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000298.mol 000000298.PUBCHEM 000000298.mol (via Jmol)
000000299.b3lyp_6-31g(d).inp

000000299.b3lyp_6-31g(d).qchem.inp (generated)

000000299.b3lyp_6-31g(d).gjf (generated)

000000299.b3lyp_6-31g(d).firefly.inp (generated)

000000299.b3lyp_6-31g(d).smash.inp (generated)

000000299.b3lyp_6-31g(d).nwchem.inp (generated) 000000299.b3lyp_6-31g(d).log.xz 000000299.td-b3lyp_6-31g+(d).inp 000000299.td-b3lyp_6-31g+(d).log.xz

000000299.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000299.td-b3lyp_6-31+g(d).gjf (generated)

000000299.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000299.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000299.mol 000000299.PUBCHEM 000000299.mol (via Jmol)
000000300.b3lyp_6-31g(d).inp

000000300.b3lyp_6-31g(d).qchem.inp (generated)

000000300.b3lyp_6-31g(d).gjf (generated)

000000300.b3lyp_6-31g(d).firefly.inp (generated)

000000300.b3lyp_6-31g(d).smash.inp (generated)

000000300.b3lyp_6-31g(d).nwchem.inp (generated) 000000300.b3lyp_6-31g(d).log.xz 000000300.td-b3lyp_6-31g+(d).inp 000000300.td-b3lyp_6-31g+(d).log.xz

000000300.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000300.td-b3lyp_6-31+g(d).gjf (generated)

000000300.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000300.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000300.mol 000000300.PUBCHEM 000000300.mol (via Jmol)
000000301.b3lyp_6-31g(d).inp

000000301.b3lyp_6-31g(d).qchem.inp (generated)

000000301.b3lyp_6-31g(d).gjf (generated)

000000301.b3lyp_6-31g(d).firefly.inp (generated)

000000301.b3lyp_6-31g(d).smash.inp (generated)

000000301.b3lyp_6-31g(d).nwchem.inp (generated) 000000301.b3lyp_6-31g(d).log.xz 000000301.td-b3lyp_6-31g+(d).inp 000000301.td-b3lyp_6-31g+(d).log.xz

000000301.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000301.td-b3lyp_6-31+g(d).gjf (generated)

000000301.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000301.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000301.mol 000000301.PUBCHEM 000000301.mol (via Jmol)
000000303.b3lyp_6-31g(d).inp

000000303.b3lyp_6-31g(d).qchem.inp (generated)

000000303.b3lyp_6-31g(d).gjf (generated)

000000303.b3lyp_6-31g(d).firefly.inp (generated)

000000303.b3lyp_6-31g(d).smash.inp (generated)

000000303.b3lyp_6-31g(d).nwchem.inp (generated) 000000303.b3lyp_6-31g(d).log.xz 000000303.td-b3lyp_6-31g+(d).inp 000000303.td-b3lyp_6-31g+(d).log.xz

000000303.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000303.td-b3lyp_6-31+g(d).gjf (generated)

000000303.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000303.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000303.mol 000000303.PUBCHEM 000000303.mol (via Jmol)
000000304.b3lyp_6-31g(d).inp

000000304.b3lyp_6-31g(d).qchem.inp (generated)

000000304.b3lyp_6-31g(d).gjf (generated)

000000304.b3lyp_6-31g(d).firefly.inp (generated)

000000304.b3lyp_6-31g(d).smash.inp (generated)

000000304.b3lyp_6-31g(d).nwchem.inp (generated) 000000304.b3lyp_6-31g(d).log.xz 000000304.td-b3lyp_6-31g+(d).inp 000000304.td-b3lyp_6-31g+(d).log.xz

000000304.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000304.td-b3lyp_6-31+g(d).gjf (generated)

000000304.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000304.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000304.mol 000000304.PUBCHEM 000000304.mol (via Jmol)
000000305.b3lyp_6-31g(d).inp

000000305.b3lyp_6-31g(d).qchem.inp (generated)

000000305.b3lyp_6-31g(d).gjf (generated)

000000305.b3lyp_6-31g(d).firefly.inp (generated)

000000305.b3lyp_6-31g(d).smash.inp (generated)

000000305.b3lyp_6-31g(d).nwchem.inp (generated) 000000305.b3lyp_6-31g(d).log.xz 000000305.td-b3lyp_6-31g+(d).inp 000000305.td-b3lyp_6-31g+(d).log.xz

000000305.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000305.td-b3lyp_6-31+g(d).gjf (generated)

000000305.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000305.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000305.mol 000000305.PUBCHEM 000000305.mol (via Jmol)
000000306.b3lyp_6-31g(d).inp

000000306.b3lyp_6-31g(d).qchem.inp (generated)

000000306.b3lyp_6-31g(d).gjf (generated)

000000306.b3lyp_6-31g(d).firefly.inp (generated)

000000306.b3lyp_6-31g(d).smash.inp (generated)

000000306.b3lyp_6-31g(d).nwchem.inp (generated) 000000306.b3lyp_6-31g(d).log.xz 000000306.td-b3lyp_6-31g+(d).inp 000000306.td-b3lyp_6-31g+(d).log.xz

000000306.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000306.td-b3lyp_6-31+g(d).gjf (generated)

000000306.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000306.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000306.mol 000000306.PUBCHEM 000000306.mol (via Jmol)
000000307.b3lyp_6-31g(d).inp

000000307.b3lyp_6-31g(d).qchem.inp (generated)

000000307.b3lyp_6-31g(d).gjf (generated)

000000307.b3lyp_6-31g(d).firefly.inp (generated)

000000307.b3lyp_6-31g(d).smash.inp (generated)

000000307.b3lyp_6-31g(d).nwchem.inp (generated) 000000307.b3lyp_6-31g(d).log.xz 000000307.td-b3lyp_6-31g+(d).inp 000000307.td-b3lyp_6-31g+(d).log.xz

000000307.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000307.td-b3lyp_6-31+g(d).gjf (generated)

000000307.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000307.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000307.mol 000000307.PUBCHEM 000000307.mol (via Jmol)
000000308.b3lyp_6-31g(d).inp

000000308.b3lyp_6-31g(d).qchem.inp (generated)

000000308.b3lyp_6-31g(d).gjf (generated)

000000308.b3lyp_6-31g(d).firefly.inp (generated)

000000308.b3lyp_6-31g(d).smash.inp (generated)

000000308.b3lyp_6-31g(d).nwchem.inp (generated) 000000308.b3lyp_6-31g(d).log.xz 000000308.td-b3lyp_6-31g+(d).inp 000000308.td-b3lyp_6-31g+(d).log.xz

000000308.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000308.td-b3lyp_6-31+g(d).gjf (generated)

000000308.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000308.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000308.mol 000000308.PUBCHEM 000000308.mol (via Jmol)
000000309.b3lyp_6-31g(d).inp

000000309.b3lyp_6-31g(d).qchem.inp (generated)

000000309.b3lyp_6-31g(d).gjf (generated)

000000309.b3lyp_6-31g(d).firefly.inp (generated)

000000309.b3lyp_6-31g(d).smash.inp (generated)

000000309.b3lyp_6-31g(d).nwchem.inp (generated) 000000309.b3lyp_6-31g(d).log.xz 000000309.td-b3lyp_6-31g+(d).inp 000000309.td-b3lyp_6-31g+(d).log.xz

000000309.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000309.td-b3lyp_6-31+g(d).gjf (generated)

000000309.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000309.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000309.mol 000000309.PUBCHEM 000000309.mol (via Jmol)
000000310.b3lyp_6-31g(d).inp

000000310.b3lyp_6-31g(d).qchem.inp (generated)

000000310.b3lyp_6-31g(d).gjf (generated)

000000310.b3lyp_6-31g(d).firefly.inp (generated)

000000310.b3lyp_6-31g(d).smash.inp (generated)

000000310.b3lyp_6-31g(d).nwchem.inp (generated) 000000310.b3lyp_6-31g(d).log.xz 000000310.td-b3lyp_6-31g+(d).inp 000000310.td-b3lyp_6-31g+(d).log.xz

000000310.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000310.td-b3lyp_6-31+g(d).gjf (generated)

000000310.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000310.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000310.mol 000000310.PUBCHEM 000000310.mol (via Jmol)
000000311.b3lyp_6-31g(d).inp

000000311.b3lyp_6-31g(d).qchem.inp (generated)

000000311.b3lyp_6-31g(d).gjf (generated)

000000311.b3lyp_6-31g(d).firefly.inp (generated)

000000311.b3lyp_6-31g(d).smash.inp (generated)

000000311.b3lyp_6-31g(d).nwchem.inp (generated) 000000311.b3lyp_6-31g(d).log.xz 000000311.td-b3lyp_6-31g+(d).inp 000000311.td-b3lyp_6-31g+(d).log.xz

000000311.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000311.td-b3lyp_6-31+g(d).gjf (generated)

000000311.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000311.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000311.mol 000000311.PUBCHEM 000000311.mol (via Jmol)
000000312.b3lyp_6-31g(d).inp

000000312.b3lyp_6-31g(d).qchem.inp (generated)

000000312.b3lyp_6-31g(d).gjf (generated)

000000312.b3lyp_6-31g(d).firefly.inp (generated)

000000312.b3lyp_6-31g(d).smash.inp (generated)

000000312.b3lyp_6-31g(d).nwchem.inp (generated) 000000312.b3lyp_6-31g(d).log.xz 000000312.td-b3lyp_6-31g+(d).inp 000000312.td-b3lyp_6-31g+(d).log.xz

000000312.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000312.td-b3lyp_6-31+g(d).gjf (generated)

000000312.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000312.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000312.mol 000000312.PUBCHEM 000000312.mol (via Jmol)
000000313.b3lyp_6-31g(d).inp

000000313.b3lyp_6-31g(d).qchem.inp (generated)

000000313.b3lyp_6-31g(d).gjf (generated)

000000313.b3lyp_6-31g(d).firefly.inp (generated)

000000313.b3lyp_6-31g(d).smash.inp (generated)

000000313.b3lyp_6-31g(d).nwchem.inp (generated) 000000313.b3lyp_6-31g(d).log.xz 000000313.td-b3lyp_6-31g+(d).inp 000000313.td-b3lyp_6-31g+(d).log.xz

000000313.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000313.td-b3lyp_6-31+g(d).gjf (generated)

000000313.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000313.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000313.mol 000000313.PUBCHEM 000000313.mol (via Jmol)
000000314.b3lyp_6-31g(d).inp

000000314.b3lyp_6-31g(d).qchem.inp (generated)

000000314.b3lyp_6-31g(d).gjf (generated)

000000314.b3lyp_6-31g(d).firefly.inp (generated)

000000314.b3lyp_6-31g(d).smash.inp (generated)

000000314.b3lyp_6-31g(d).nwchem.inp (generated) 000000314.b3lyp_6-31g(d).log.xz 000000314.td-b3lyp_6-31g+(d).inp 000000314.td-b3lyp_6-31g+(d).log.xz

000000314.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000314.td-b3lyp_6-31+g(d).gjf (generated)

000000314.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000314.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000314.mol 000000314.PUBCHEM 000000314.mol (via Jmol)
000000320.b3lyp_6-31g(d).inp

000000320.b3lyp_6-31g(d).qchem.inp (generated)

000000320.b3lyp_6-31g(d).gjf (generated)

000000320.b3lyp_6-31g(d).firefly.inp (generated)

000000320.b3lyp_6-31g(d).smash.inp (generated)

000000320.b3lyp_6-31g(d).nwchem.inp (generated) 000000320.b3lyp_6-31g(d).log.xz 000000320.td-b3lyp_6-31g+(d).inp 000000320.td-b3lyp_6-31g+(d).log.xz

000000320.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000320.td-b3lyp_6-31+g(d).gjf (generated)

000000320.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000320.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000320.mol 000000320.PUBCHEM 000000320.mol (via Jmol)
000000322.b3lyp_6-31g(d).inp

000000322.b3lyp_6-31g(d).qchem.inp (generated)

000000322.b3lyp_6-31g(d).gjf (generated)

000000322.b3lyp_6-31g(d).firefly.inp (generated)

000000322.b3lyp_6-31g(d).smash.inp (generated)

000000322.b3lyp_6-31g(d).nwchem.inp (generated) 000000322.b3lyp_6-31g(d).log.xz 000000322.td-b3lyp_6-31g+(d).inp 000000322.td-b3lyp_6-31g+(d).log.xz

000000322.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000322.td-b3lyp_6-31+g(d).gjf (generated)

000000322.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000322.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000322.mol 000000322.PUBCHEM 000000322.mol (via Jmol)
000000323.b3lyp_6-31g(d).inp

000000323.b3lyp_6-31g(d).qchem.inp (generated)

000000323.b3lyp_6-31g(d).gjf (generated)

000000323.b3lyp_6-31g(d).firefly.inp (generated)

000000323.b3lyp_6-31g(d).smash.inp (generated)

000000323.b3lyp_6-31g(d).nwchem.inp (generated) 000000323.b3lyp_6-31g(d).log.xz 000000323.td-b3lyp_6-31g+(d).inp 000000323.td-b3lyp_6-31g+(d).log.xz

000000323.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000323.td-b3lyp_6-31+g(d).gjf (generated)

000000323.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000323.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000323.mol 000000323.PUBCHEM 000000323.mol (via Jmol)
000000325.b3lyp_6-31g(d).inp

000000325.b3lyp_6-31g(d).qchem.inp (generated)

000000325.b3lyp_6-31g(d).gjf (generated)

000000325.b3lyp_6-31g(d).firefly.inp (generated)

000000325.b3lyp_6-31g(d).smash.inp (generated)

000000325.b3lyp_6-31g(d).nwchem.inp (generated) 000000325.b3lyp_6-31g(d).log.xz 000000325.td-b3lyp_6-31g+(d).inp 000000325.td-b3lyp_6-31g+(d).log.xz

000000325.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000325.td-b3lyp_6-31+g(d).gjf (generated)

000000325.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000325.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000325.mol 000000325.PUBCHEM 000000325.mol (via Jmol)
000000326.b3lyp_6-31g(d).inp

000000326.b3lyp_6-31g(d).qchem.inp (generated)

000000326.b3lyp_6-31g(d).gjf (generated)

000000326.b3lyp_6-31g(d).firefly.inp (generated)

000000326.b3lyp_6-31g(d).smash.inp (generated)

000000326.b3lyp_6-31g(d).nwchem.inp (generated) 000000326.b3lyp_6-31g(d).log.xz 000000326.td-b3lyp_6-31g+(d).inp 000000326.td-b3lyp_6-31g+(d).log.xz

000000326.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000326.td-b3lyp_6-31+g(d).gjf (generated)

000000326.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000326.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000326.mol 000000326.PUBCHEM 000000326.mol (via Jmol)
000000327.b3lyp_6-31g(d).inp

000000327.b3lyp_6-31g(d).qchem.inp (generated)

000000327.b3lyp_6-31g(d).gjf (generated)

000000327.b3lyp_6-31g(d).firefly.inp (generated)

000000327.b3lyp_6-31g(d).smash.inp (generated)

000000327.b3lyp_6-31g(d).nwchem.inp (generated) 000000327.b3lyp_6-31g(d).log.xz 000000327.td-b3lyp_6-31g+(d).inp 000000327.td-b3lyp_6-31g+(d).log.xz

000000327.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000327.td-b3lyp_6-31+g(d).gjf (generated)

000000327.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000327.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000327.mol 000000327.PUBCHEM 000000327.mol (via Jmol)
000000328.b3lyp_6-31g(d).inp

000000328.b3lyp_6-31g(d).qchem.inp (generated)

000000328.b3lyp_6-31g(d).gjf (generated)

000000328.b3lyp_6-31g(d).firefly.inp (generated)

000000328.b3lyp_6-31g(d).smash.inp (generated)

000000328.b3lyp_6-31g(d).nwchem.inp (generated) 000000328.b3lyp_6-31g(d).log.xz 000000328.td-b3lyp_6-31g+(d).inp 000000328.td-b3lyp_6-31g+(d).log.xz

000000328.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000328.td-b3lyp_6-31+g(d).gjf (generated)

000000328.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000328.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000328.mol 000000328.PUBCHEM 000000328.mol (via Jmol)
000000329.b3lyp_6-31g(d).inp

000000329.b3lyp_6-31g(d).qchem.inp (generated)

000000329.b3lyp_6-31g(d).gjf (generated)

000000329.b3lyp_6-31g(d).firefly.inp (generated)

000000329.b3lyp_6-31g(d).smash.inp (generated)

000000329.b3lyp_6-31g(d).nwchem.inp (generated) 000000329.b3lyp_6-31g(d).log.xz 000000329.td-b3lyp_6-31g+(d).inp 000000329.td-b3lyp_6-31g+(d).log.xz

000000329.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000329.td-b3lyp_6-31+g(d).gjf (generated)

000000329.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000329.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000329.mol 000000329.PUBCHEM 000000329.mol (via Jmol)
000000330.b3lyp_6-31g(d).inp

000000330.b3lyp_6-31g(d).qchem.inp (generated)

000000330.b3lyp_6-31g(d).gjf (generated)

000000330.b3lyp_6-31g(d).firefly.inp (generated)

000000330.b3lyp_6-31g(d).smash.inp (generated)

000000330.b3lyp_6-31g(d).nwchem.inp (generated) 000000330.b3lyp_6-31g(d).log.xz 000000330.td-b3lyp_6-31g+(d).inp 000000330.td-b3lyp_6-31g+(d).log.xz

000000330.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000330.td-b3lyp_6-31+g(d).gjf (generated)

000000330.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000330.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000330.mol 000000330.PUBCHEM 000000330.mol (via Jmol)
000000331.b3lyp_6-31g(d).inp

000000331.b3lyp_6-31g(d).qchem.inp (generated)

000000331.b3lyp_6-31g(d).gjf (generated)

000000331.b3lyp_6-31g(d).firefly.inp (generated)

000000331.b3lyp_6-31g(d).smash.inp (generated)

000000331.b3lyp_6-31g(d).nwchem.inp (generated) 000000331.b3lyp_6-31g(d).log.xz 000000331.td-b3lyp_6-31g+(d).inp 000000331.td-b3lyp_6-31g+(d).log.xz

000000331.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000331.td-b3lyp_6-31+g(d).gjf (generated)

000000331.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000331.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000331.mol 000000331.PUBCHEM 000000331.mol (via Jmol)
000000332.b3lyp_6-31g(d).inp

000000332.b3lyp_6-31g(d).qchem.inp (generated)

000000332.b3lyp_6-31g(d).gjf (generated)

000000332.b3lyp_6-31g(d).firefly.inp (generated)

000000332.b3lyp_6-31g(d).smash.inp (generated)

000000332.b3lyp_6-31g(d).nwchem.inp (generated) 000000332.b3lyp_6-31g(d).log.xz 000000332.td-b3lyp_6-31g+(d).inp 000000332.td-b3lyp_6-31g+(d).log.xz

000000332.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000332.td-b3lyp_6-31+g(d).gjf (generated)

000000332.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000332.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000332.mol 000000332.PUBCHEM 000000332.mol (via Jmol)
000000333.b3lyp_6-31g(d).inp

000000333.b3lyp_6-31g(d).qchem.inp (generated)

000000333.b3lyp_6-31g(d).gjf (generated)

000000333.b3lyp_6-31g(d).firefly.inp (generated)

000000333.b3lyp_6-31g(d).smash.inp (generated)

000000333.b3lyp_6-31g(d).nwchem.inp (generated) 000000333.b3lyp_6-31g(d).log.xz 000000333.td-b3lyp_6-31g+(d).inp 000000333.td-b3lyp_6-31g+(d).log.xz

000000333.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000333.td-b3lyp_6-31+g(d).gjf (generated)

000000333.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000333.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000333.mol 000000333.PUBCHEM 000000333.mol (via Jmol)
000000334.b3lyp_6-31g(d).inp

000000334.b3lyp_6-31g(d).qchem.inp (generated)

000000334.b3lyp_6-31g(d).gjf (generated)

000000334.b3lyp_6-31g(d).firefly.inp (generated)

000000334.b3lyp_6-31g(d).smash.inp (generated)

000000334.b3lyp_6-31g(d).nwchem.inp (generated) 000000334.b3lyp_6-31g(d).log.xz 000000334.td-b3lyp_6-31g+(d).inp 000000334.td-b3lyp_6-31g+(d).log.xz

000000334.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000334.td-b3lyp_6-31+g(d).gjf (generated)

000000334.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000334.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000334.mol 000000334.PUBCHEM 000000334.mol (via Jmol)
000000335.b3lyp_6-31g(d).inp

000000335.b3lyp_6-31g(d).qchem.inp (generated)

000000335.b3lyp_6-31g(d).gjf (generated)

000000335.b3lyp_6-31g(d).firefly.inp (generated)

000000335.b3lyp_6-31g(d).smash.inp (generated)

000000335.b3lyp_6-31g(d).nwchem.inp (generated) 000000335.b3lyp_6-31g(d).log.xz 000000335.td-b3lyp_6-31g+(d).inp 000000335.td-b3lyp_6-31g+(d).log.xz

000000335.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000335.td-b3lyp_6-31+g(d).gjf (generated)

000000335.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000335.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000335.mol 000000335.PUBCHEM 000000335.mol (via Jmol)
000000336.b3lyp_6-31g(d).inp

000000336.b3lyp_6-31g(d).qchem.inp (generated)

000000336.b3lyp_6-31g(d).gjf (generated)

000000336.b3lyp_6-31g(d).firefly.inp (generated)

000000336.b3lyp_6-31g(d).smash.inp (generated)

000000336.b3lyp_6-31g(d).nwchem.inp (generated) 000000336.b3lyp_6-31g(d).log.xz 000000336.td-b3lyp_6-31g+(d).inp 000000336.td-b3lyp_6-31g+(d).log.xz

000000336.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000336.td-b3lyp_6-31+g(d).gjf (generated)

000000336.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000336.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000336.mol 000000336.PUBCHEM 000000336.mol (via Jmol)
000000337.b3lyp_6-31g(d).inp

000000337.b3lyp_6-31g(d).qchem.inp (generated)

000000337.b3lyp_6-31g(d).gjf (generated)

000000337.b3lyp_6-31g(d).firefly.inp (generated)

000000337.b3lyp_6-31g(d).smash.inp (generated)

000000337.b3lyp_6-31g(d).nwchem.inp (generated) 000000337.b3lyp_6-31g(d).log.xz 000000337.td-b3lyp_6-31g+(d).inp 000000337.td-b3lyp_6-31g+(d).log.xz

000000337.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000337.td-b3lyp_6-31+g(d).gjf (generated)

000000337.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000337.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000337.mol 000000337.PUBCHEM 000000337.mol (via Jmol)
000000338.b3lyp_6-31g(d).inp

000000338.b3lyp_6-31g(d).qchem.inp (generated)

000000338.b3lyp_6-31g(d).gjf (generated)

000000338.b3lyp_6-31g(d).firefly.inp (generated)

000000338.b3lyp_6-31g(d).smash.inp (generated)

000000338.b3lyp_6-31g(d).nwchem.inp (generated) 000000338.b3lyp_6-31g(d).log.xz 000000338.td-b3lyp_6-31g+(d).inp 000000338.td-b3lyp_6-31g+(d).log.xz

000000338.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000338.td-b3lyp_6-31+g(d).gjf (generated)

000000338.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000338.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000338.mol 000000338.PUBCHEM 000000338.mol (via Jmol)
000000339.b3lyp_6-31g(d).inp

000000339.b3lyp_6-31g(d).qchem.inp (generated)

000000339.b3lyp_6-31g(d).gjf (generated)

000000339.b3lyp_6-31g(d).firefly.inp (generated)

000000339.b3lyp_6-31g(d).smash.inp (generated)

000000339.b3lyp_6-31g(d).nwchem.inp (generated) 000000339.b3lyp_6-31g(d).log.xz 000000339.td-b3lyp_6-31g+(d).inp 000000339.td-b3lyp_6-31g+(d).log.xz

000000339.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000339.td-b3lyp_6-31+g(d).gjf (generated)

000000339.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000339.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000339.mol 000000339.PUBCHEM 000000339.mol (via Jmol)
000000340.b3lyp_6-31g(d).inp

000000340.b3lyp_6-31g(d).qchem.inp (generated)

000000340.b3lyp_6-31g(d).gjf (generated)

000000340.b3lyp_6-31g(d).firefly.inp (generated)

000000340.b3lyp_6-31g(d).smash.inp (generated)

000000340.b3lyp_6-31g(d).nwchem.inp (generated) 000000340.b3lyp_6-31g(d).log.xz 000000340.td-b3lyp_6-31g+(d).inp 000000340.td-b3lyp_6-31g+(d).log.xz

000000340.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000340.td-b3lyp_6-31+g(d).gjf (generated)

000000340.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000340.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000340.mol 000000340.PUBCHEM 000000340.mol (via Jmol)
000000341.b3lyp_6-31g(d).inp

000000341.b3lyp_6-31g(d).qchem.inp (generated)

000000341.b3lyp_6-31g(d).gjf (generated)

000000341.b3lyp_6-31g(d).firefly.inp (generated)

000000341.b3lyp_6-31g(d).smash.inp (generated)

000000341.b3lyp_6-31g(d).nwchem.inp (generated) 000000341.b3lyp_6-31g(d).log.xz 000000341.td-b3lyp_6-31g+(d).inp 000000341.td-b3lyp_6-31g+(d).log.xz

000000341.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000341.td-b3lyp_6-31+g(d).gjf (generated)

000000341.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000341.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000341.mol 000000341.PUBCHEM 000000341.mol (via Jmol)
000000342.b3lyp_6-31g(d).inp

000000342.b3lyp_6-31g(d).qchem.inp (generated)

000000342.b3lyp_6-31g(d).gjf (generated)

000000342.b3lyp_6-31g(d).firefly.inp (generated)

000000342.b3lyp_6-31g(d).smash.inp (generated)

000000342.b3lyp_6-31g(d).nwchem.inp (generated) 000000342.b3lyp_6-31g(d).log.xz 000000342.td-b3lyp_6-31g+(d).inp 000000342.td-b3lyp_6-31g+(d).log.xz

000000342.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000342.td-b3lyp_6-31+g(d).gjf (generated)

000000342.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000342.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000342.mol 000000342.PUBCHEM 000000342.mol (via Jmol)
000000343.b3lyp_6-31g(d).inp

000000343.b3lyp_6-31g(d).qchem.inp (generated)

000000343.b3lyp_6-31g(d).gjf (generated)

000000343.b3lyp_6-31g(d).firefly.inp (generated)

000000343.b3lyp_6-31g(d).smash.inp (generated)

000000343.b3lyp_6-31g(d).nwchem.inp (generated) 000000343.b3lyp_6-31g(d).log.xz 000000343.td-b3lyp_6-31g+(d).inp 000000343.td-b3lyp_6-31g+(d).log.xz

000000343.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000343.td-b3lyp_6-31+g(d).gjf (generated)

000000343.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000343.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000343.mol 000000343.PUBCHEM 000000343.mol (via Jmol)
000000344.b3lyp_6-31g(d).inp

000000344.b3lyp_6-31g(d).qchem.inp (generated)

000000344.b3lyp_6-31g(d).gjf (generated)

000000344.b3lyp_6-31g(d).firefly.inp (generated)

000000344.b3lyp_6-31g(d).smash.inp (generated)

000000344.b3lyp_6-31g(d).nwchem.inp (generated) 000000344.b3lyp_6-31g(d).log.xz 000000344.td-b3lyp_6-31g+(d).inp 000000344.td-b3lyp_6-31g+(d).log.xz

000000344.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000344.td-b3lyp_6-31+g(d).gjf (generated)

000000344.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000344.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000344.mol 000000344.PUBCHEM 000000344.mol (via Jmol)
000000345.b3lyp_6-31g(d).inp

000000345.b3lyp_6-31g(d).qchem.inp (generated)

000000345.b3lyp_6-31g(d).gjf (generated)

000000345.b3lyp_6-31g(d).firefly.inp (generated)

000000345.b3lyp_6-31g(d).smash.inp (generated)

000000345.b3lyp_6-31g(d).nwchem.inp (generated) 000000345.b3lyp_6-31g(d).log.xz 000000345.td-b3lyp_6-31g+(d).inp 000000345.td-b3lyp_6-31g+(d).log.xz

000000345.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000345.td-b3lyp_6-31+g(d).gjf (generated)

000000345.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000345.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000345.mol 000000345.PUBCHEM 000000345.mol (via Jmol)
000000346.b3lyp_6-31g(d).inp

000000346.b3lyp_6-31g(d).qchem.inp (generated)

000000346.b3lyp_6-31g(d).gjf (generated)

000000346.b3lyp_6-31g(d).firefly.inp (generated)

000000346.b3lyp_6-31g(d).smash.inp (generated)

000000346.b3lyp_6-31g(d).nwchem.inp (generated) 000000346.b3lyp_6-31g(d).log.xz 000000346.td-b3lyp_6-31g+(d).inp 000000346.td-b3lyp_6-31g+(d).log.xz

000000346.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000346.td-b3lyp_6-31+g(d).gjf (generated)

000000346.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000346.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000346.mol 000000346.PUBCHEM 000000346.mol (via Jmol)
000000347.b3lyp_6-31g(d).inp

000000347.b3lyp_6-31g(d).qchem.inp (generated)

000000347.b3lyp_6-31g(d).gjf (generated)

000000347.b3lyp_6-31g(d).firefly.inp (generated)

000000347.b3lyp_6-31g(d).smash.inp (generated)

000000347.b3lyp_6-31g(d).nwchem.inp (generated) 000000347.b3lyp_6-31g(d).log.xz 000000347.td-b3lyp_6-31g+(d).inp 000000347.td-b3lyp_6-31g+(d).log.xz

000000347.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000347.td-b3lyp_6-31+g(d).gjf (generated)

000000347.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000347.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000347.mol 000000347.PUBCHEM 000000347.mol (via Jmol)
000000348.b3lyp_6-31g(d).inp

000000348.b3lyp_6-31g(d).qchem.inp (generated)

000000348.b3lyp_6-31g(d).gjf (generated)

000000348.b3lyp_6-31g(d).firefly.inp (generated)

000000348.b3lyp_6-31g(d).smash.inp (generated)

000000348.b3lyp_6-31g(d).nwchem.inp (generated) 000000348.b3lyp_6-31g(d).log.xz 000000348.td-b3lyp_6-31g+(d).inp 000000348.td-b3lyp_6-31g+(d).log.xz

000000348.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000348.td-b3lyp_6-31+g(d).gjf (generated)

000000348.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000348.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000348.mol 000000348.PUBCHEM 000000348.mol (via Jmol)
000000349.b3lyp_6-31g(d).inp

000000349.b3lyp_6-31g(d).qchem.inp (generated)

000000349.b3lyp_6-31g(d).gjf (generated)

000000349.b3lyp_6-31g(d).firefly.inp (generated)

000000349.b3lyp_6-31g(d).smash.inp (generated)

000000349.b3lyp_6-31g(d).nwchem.inp (generated) 000000349.b3lyp_6-31g(d).log.xz 000000349.td-b3lyp_6-31g+(d).inp 000000349.td-b3lyp_6-31g+(d).log.xz

000000349.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000349.td-b3lyp_6-31+g(d).gjf (generated)

000000349.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000349.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000349.mol 000000349.PUBCHEM 000000349.mol (via Jmol)
000000350.b3lyp_6-31g(d).inp

000000350.b3lyp_6-31g(d).qchem.inp (generated)

000000350.b3lyp_6-31g(d).gjf (generated)

000000350.b3lyp_6-31g(d).firefly.inp (generated)

000000350.b3lyp_6-31g(d).smash.inp (generated)

000000350.b3lyp_6-31g(d).nwchem.inp (generated) 000000350.b3lyp_6-31g(d).log.xz 000000350.td-b3lyp_6-31g+(d).inp 000000350.td-b3lyp_6-31g+(d).log.xz

000000350.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000350.td-b3lyp_6-31+g(d).gjf (generated)

000000350.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000350.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000350.mol 000000350.PUBCHEM 000000350.mol (via Jmol)
000000354.b3lyp_6-31g(d).inp

000000354.b3lyp_6-31g(d).qchem.inp (generated)

000000354.b3lyp_6-31g(d).gjf (generated)

000000354.b3lyp_6-31g(d).firefly.inp (generated)

000000354.b3lyp_6-31g(d).smash.inp (generated)

000000354.b3lyp_6-31g(d).nwchem.inp (generated) 000000354.b3lyp_6-31g(d).log.xz 000000354.td-b3lyp_6-31g+(d).inp 000000354.td-b3lyp_6-31g+(d).log.xz

000000354.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000354.td-b3lyp_6-31+g(d).gjf (generated)

000000354.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000354.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000354.mol 000000354.PUBCHEM 000000354.mol (via Jmol)
000000355.b3lyp_6-31g(d).inp

000000355.b3lyp_6-31g(d).qchem.inp (generated)

000000355.b3lyp_6-31g(d).gjf (generated)

000000355.b3lyp_6-31g(d).firefly.inp (generated)

000000355.b3lyp_6-31g(d).smash.inp (generated)

000000355.b3lyp_6-31g(d).nwchem.inp (generated) 000000355.b3lyp_6-31g(d).log.xz 000000355.td-b3lyp_6-31g+(d).inp 000000355.td-b3lyp_6-31g+(d).log.xz

000000355.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000355.td-b3lyp_6-31+g(d).gjf (generated)

000000355.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000355.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000355.mol 000000355.PUBCHEM 000000355.mol (via Jmol)
000000356.b3lyp_6-31g(d).inp

000000356.b3lyp_6-31g(d).qchem.inp (generated)

000000356.b3lyp_6-31g(d).gjf (generated)

000000356.b3lyp_6-31g(d).firefly.inp (generated)

000000356.b3lyp_6-31g(d).smash.inp (generated)

000000356.b3lyp_6-31g(d).nwchem.inp (generated) 000000356.b3lyp_6-31g(d).log.xz 000000356.td-b3lyp_6-31g+(d).inp 000000356.td-b3lyp_6-31g+(d).log.xz

000000356.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000356.td-b3lyp_6-31+g(d).gjf (generated)

000000356.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000356.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000356.mol 000000356.PUBCHEM 000000356.mol (via Jmol)
000000357.b3lyp_6-31g(d).inp

000000357.b3lyp_6-31g(d).qchem.inp (generated)

000000357.b3lyp_6-31g(d).gjf (generated)

000000357.b3lyp_6-31g(d).firefly.inp (generated)

000000357.b3lyp_6-31g(d).smash.inp (generated)

000000357.b3lyp_6-31g(d).nwchem.inp (generated) 000000357.b3lyp_6-31g(d).log.xz 000000357.td-b3lyp_6-31g+(d).inp 000000357.td-b3lyp_6-31g+(d).log.xz

000000357.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000357.td-b3lyp_6-31+g(d).gjf (generated)

000000357.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000357.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000357.mol 000000357.PUBCHEM 000000357.mol (via Jmol)
000000358.b3lyp_6-31g(d).inp

000000358.b3lyp_6-31g(d).qchem.inp (generated)

000000358.b3lyp_6-31g(d).gjf (generated)

000000358.b3lyp_6-31g(d).firefly.inp (generated)

000000358.b3lyp_6-31g(d).smash.inp (generated)

000000358.b3lyp_6-31g(d).nwchem.inp (generated) 000000358.b3lyp_6-31g(d).log.xz 000000358.td-b3lyp_6-31g+(d).inp 000000358.td-b3lyp_6-31g+(d).log.xz

000000358.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000358.td-b3lyp_6-31+g(d).gjf (generated)

000000358.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000358.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000358.mol 000000358.PUBCHEM 000000358.mol (via Jmol)
000000359.b3lyp_6-31g(d).inp

000000359.b3lyp_6-31g(d).qchem.inp (generated)

000000359.b3lyp_6-31g(d).gjf (generated)

000000359.b3lyp_6-31g(d).firefly.inp (generated)

000000359.b3lyp_6-31g(d).smash.inp (generated)

000000359.b3lyp_6-31g(d).nwchem.inp (generated) 000000359.b3lyp_6-31g(d).log.xz 000000359.td-b3lyp_6-31g+(d).inp 000000359.td-b3lyp_6-31g+(d).log.xz

000000359.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000359.td-b3lyp_6-31+g(d).gjf (generated)

000000359.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000359.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000359.mol 000000359.PUBCHEM 000000359.mol (via Jmol)
000000360.b3lyp_6-31g(d).inp

000000360.b3lyp_6-31g(d).qchem.inp (generated)

000000360.b3lyp_6-31g(d).gjf (generated)

000000360.b3lyp_6-31g(d).firefly.inp (generated)

000000360.b3lyp_6-31g(d).smash.inp (generated)

000000360.b3lyp_6-31g(d).nwchem.inp (generated) 000000360.b3lyp_6-31g(d).log.xz 000000360.td-b3lyp_6-31g+(d).inp 000000360.td-b3lyp_6-31g+(d).log.xz

000000360.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000360.td-b3lyp_6-31+g(d).gjf (generated)

000000360.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000360.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000360.mol 000000360.PUBCHEM 000000360.mol (via Jmol)
000000361.b3lyp_6-31g(d).inp

000000361.b3lyp_6-31g(d).qchem.inp (generated)

000000361.b3lyp_6-31g(d).gjf (generated)

000000361.b3lyp_6-31g(d).firefly.inp (generated)

000000361.b3lyp_6-31g(d).smash.inp (generated)

000000361.b3lyp_6-31g(d).nwchem.inp (generated) 000000361.b3lyp_6-31g(d).log.xz 000000361.td-b3lyp_6-31g+(d).inp 000000361.td-b3lyp_6-31g+(d).log.xz

000000361.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000361.td-b3lyp_6-31+g(d).gjf (generated)

000000361.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000361.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000361.mol 000000361.PUBCHEM 000000361.mol (via Jmol)
000000362.b3lyp_6-31g(d).inp

000000362.b3lyp_6-31g(d).qchem.inp (generated)

000000362.b3lyp_6-31g(d).gjf (generated)

000000362.b3lyp_6-31g(d).firefly.inp (generated)

000000362.b3lyp_6-31g(d).smash.inp (generated)

000000362.b3lyp_6-31g(d).nwchem.inp (generated) 000000362.b3lyp_6-31g(d).log.xz 000000362.td-b3lyp_6-31g+(d).inp 000000362.td-b3lyp_6-31g+(d).log.xz

000000362.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000362.td-b3lyp_6-31+g(d).gjf (generated)

000000362.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000362.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000362.mol 000000362.PUBCHEM 000000362.mol (via Jmol)
000000363.b3lyp_6-31g(d).inp

000000363.b3lyp_6-31g(d).qchem.inp (generated)

000000363.b3lyp_6-31g(d).gjf (generated)

000000363.b3lyp_6-31g(d).firefly.inp (generated)

000000363.b3lyp_6-31g(d).smash.inp (generated)

000000363.b3lyp_6-31g(d).nwchem.inp (generated) 000000363.b3lyp_6-31g(d).log.xz 000000363.td-b3lyp_6-31g+(d).inp 000000363.td-b3lyp_6-31g+(d).log.xz

000000363.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000363.td-b3lyp_6-31+g(d).gjf (generated)

000000363.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000363.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000363.mol 000000363.PUBCHEM 000000363.mol (via Jmol)
000000364.b3lyp_6-31g(d).inp

000000364.b3lyp_6-31g(d).qchem.inp (generated)

000000364.b3lyp_6-31g(d).gjf (generated)

000000364.b3lyp_6-31g(d).firefly.inp (generated)

000000364.b3lyp_6-31g(d).smash.inp (generated)

000000364.b3lyp_6-31g(d).nwchem.inp (generated) 000000364.b3lyp_6-31g(d).log.xz 000000364.td-b3lyp_6-31g+(d).inp 000000364.td-b3lyp_6-31g+(d).log.xz

000000364.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000364.td-b3lyp_6-31+g(d).gjf (generated)

000000364.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000364.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000364.mol 000000364.PUBCHEM 000000364.mol (via Jmol)
000000366.b3lyp_6-31g(d).inp

000000366.b3lyp_6-31g(d).qchem.inp (generated)

000000366.b3lyp_6-31g(d).gjf (generated)

000000366.b3lyp_6-31g(d).firefly.inp (generated)

000000366.b3lyp_6-31g(d).smash.inp (generated)

000000366.b3lyp_6-31g(d).nwchem.inp (generated) 000000366.b3lyp_6-31g(d).log.xz 000000366.td-b3lyp_6-31g+(d).inp 000000366.td-b3lyp_6-31g+(d).log.xz

000000366.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000366.td-b3lyp_6-31+g(d).gjf (generated)

000000366.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000366.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000366.mol 000000366.PUBCHEM 000000366.mol (via Jmol)
000000368.b3lyp_6-31g(d).inp

000000368.b3lyp_6-31g(d).qchem.inp (generated)

000000368.b3lyp_6-31g(d).gjf (generated)

000000368.b3lyp_6-31g(d).firefly.inp (generated)

000000368.b3lyp_6-31g(d).smash.inp (generated)

000000368.b3lyp_6-31g(d).nwchem.inp (generated) 000000368.b3lyp_6-31g(d).log.xz 000000368.td-b3lyp_6-31g+(d).inp 000000368.td-b3lyp_6-31g+(d).log.xz

000000368.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000368.td-b3lyp_6-31+g(d).gjf (generated)

000000368.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000368.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000368.mol 000000368.PUBCHEM 000000368.mol (via Jmol)
000000370.b3lyp_6-31g(d).inp

000000370.b3lyp_6-31g(d).qchem.inp (generated)

000000370.b3lyp_6-31g(d).gjf (generated)

000000370.b3lyp_6-31g(d).firefly.inp (generated)

000000370.b3lyp_6-31g(d).smash.inp (generated)

000000370.b3lyp_6-31g(d).nwchem.inp (generated) 000000370.b3lyp_6-31g(d).log.xz 000000370.td-b3lyp_6-31g+(d).inp 000000370.td-b3lyp_6-31g+(d).log.xz

000000370.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000370.td-b3lyp_6-31+g(d).gjf (generated)

000000370.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000370.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000370.mol 000000370.PUBCHEM 000000370.mol (via Jmol)
000000371.b3lyp_6-31g(d).inp

000000371.b3lyp_6-31g(d).qchem.inp (generated)

000000371.b3lyp_6-31g(d).gjf (generated)

000000371.b3lyp_6-31g(d).firefly.inp (generated)

000000371.b3lyp_6-31g(d).smash.inp (generated)

000000371.b3lyp_6-31g(d).nwchem.inp (generated) 000000371.b3lyp_6-31g(d).log.xz 000000371.td-b3lyp_6-31g+(d).inp 000000371.td-b3lyp_6-31g+(d).log.xz

000000371.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000371.td-b3lyp_6-31+g(d).gjf (generated)

000000371.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000371.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000371.mol 000000371.PUBCHEM 000000371.mol (via Jmol)
000000372.b3lyp_6-31g(d).inp

000000372.b3lyp_6-31g(d).qchem.inp (generated)

000000372.b3lyp_6-31g(d).gjf (generated)

000000372.b3lyp_6-31g(d).firefly.inp (generated)

000000372.b3lyp_6-31g(d).smash.inp (generated)

000000372.b3lyp_6-31g(d).nwchem.inp (generated) 000000372.b3lyp_6-31g(d).log.xz 000000372.td-b3lyp_6-31g+(d).inp 000000372.td-b3lyp_6-31g+(d).log.xz

000000372.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000372.td-b3lyp_6-31+g(d).gjf (generated)

000000372.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000372.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000372.mol 000000372.PUBCHEM 000000372.mol (via Jmol)
000000374.b3lyp_6-31g(d).inp

000000374.b3lyp_6-31g(d).qchem.inp (generated)

000000374.b3lyp_6-31g(d).gjf (generated)

000000374.b3lyp_6-31g(d).firefly.inp (generated)

000000374.b3lyp_6-31g(d).smash.inp (generated)

000000374.b3lyp_6-31g(d).nwchem.inp (generated) 000000374.b3lyp_6-31g(d).log.xz 000000374.td-b3lyp_6-31g+(d).inp 000000374.td-b3lyp_6-31g+(d).log.xz

000000374.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000374.td-b3lyp_6-31+g(d).gjf (generated)

000000374.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000374.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000374.mol 000000374.PUBCHEM 000000374.mol (via Jmol)
000000376.b3lyp_6-31g(d).inp

000000376.b3lyp_6-31g(d).qchem.inp (generated)

000000376.b3lyp_6-31g(d).gjf (generated)

000000376.b3lyp_6-31g(d).firefly.inp (generated)

000000376.b3lyp_6-31g(d).smash.inp (generated)

000000376.b3lyp_6-31g(d).nwchem.inp (generated) 000000376.b3lyp_6-31g(d).log.xz 000000376.td-b3lyp_6-31g+(d).inp 000000376.td-b3lyp_6-31g+(d).log.xz

000000376.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000376.td-b3lyp_6-31+g(d).gjf (generated)

000000376.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000376.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000376.mol 000000376.PUBCHEM 000000376.mol (via Jmol)
000000378.b3lyp_6-31g(d).inp

000000378.b3lyp_6-31g(d).qchem.inp (generated)

000000378.b3lyp_6-31g(d).gjf (generated)

000000378.b3lyp_6-31g(d).firefly.inp (generated)

000000378.b3lyp_6-31g(d).smash.inp (generated)

000000378.b3lyp_6-31g(d).nwchem.inp (generated) 000000378.b3lyp_6-31g(d).log.xz 000000378.td-b3lyp_6-31g+(d).inp 000000378.td-b3lyp_6-31g+(d).log.xz

000000378.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000378.td-b3lyp_6-31+g(d).gjf (generated)

000000378.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000378.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000378.mol 000000378.PUBCHEM 000000378.mol (via Jmol)
000000379.b3lyp_6-31g(d).inp

000000379.b3lyp_6-31g(d).qchem.inp (generated)

000000379.b3lyp_6-31g(d).gjf (generated)

000000379.b3lyp_6-31g(d).firefly.inp (generated)

000000379.b3lyp_6-31g(d).smash.inp (generated)

000000379.b3lyp_6-31g(d).nwchem.inp (generated) 000000379.b3lyp_6-31g(d).log.xz 000000379.td-b3lyp_6-31g+(d).inp 000000379.td-b3lyp_6-31g+(d).log.xz

000000379.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000379.td-b3lyp_6-31+g(d).gjf (generated)

000000379.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000379.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000379.mol 000000379.PUBCHEM 000000379.mol (via Jmol)
000000384.b3lyp_6-31g(d).inp

000000384.b3lyp_6-31g(d).qchem.inp (generated)

000000384.b3lyp_6-31g(d).gjf (generated)

000000384.b3lyp_6-31g(d).firefly.inp (generated)

000000384.b3lyp_6-31g(d).smash.inp (generated)

000000384.b3lyp_6-31g(d).nwchem.inp (generated) 000000384.b3lyp_6-31g(d).log.xz 000000384.td-b3lyp_6-31g+(d).inp 000000384.td-b3lyp_6-31g+(d).log.xz

000000384.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000384.td-b3lyp_6-31+g(d).gjf (generated)

000000384.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000384.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000384.mol 000000384.PUBCHEM 000000384.mol (via Jmol)
000000385.b3lyp_6-31g(d).inp

000000385.b3lyp_6-31g(d).qchem.inp (generated)

000000385.b3lyp_6-31g(d).gjf (generated)

000000385.b3lyp_6-31g(d).firefly.inp (generated)

000000385.b3lyp_6-31g(d).smash.inp (generated)

000000385.b3lyp_6-31g(d).nwchem.inp (generated) 000000385.b3lyp_6-31g(d).log.xz 000000385.td-b3lyp_6-31g+(d).inp 000000385.td-b3lyp_6-31g+(d).log.xz

000000385.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000385.td-b3lyp_6-31+g(d).gjf (generated)

000000385.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000385.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000385.mol 000000385.PUBCHEM 000000385.mol (via Jmol)
000000389.b3lyp_6-31g(d).inp

000000389.b3lyp_6-31g(d).qchem.inp (generated)

000000389.b3lyp_6-31g(d).gjf (generated)

000000389.b3lyp_6-31g(d).firefly.inp (generated)

000000389.b3lyp_6-31g(d).smash.inp (generated)

000000389.b3lyp_6-31g(d).nwchem.inp (generated) 000000389.b3lyp_6-31g(d).log.xz 000000389.td-b3lyp_6-31g+(d).inp 000000389.td-b3lyp_6-31g+(d).log.xz

000000389.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000389.td-b3lyp_6-31+g(d).gjf (generated)

000000389.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000389.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000389.mol 000000389.PUBCHEM 000000389.mol (via Jmol)
000000391.b3lyp_6-31g(d).inp

000000391.b3lyp_6-31g(d).qchem.inp (generated)

000000391.b3lyp_6-31g(d).gjf (generated)

000000391.b3lyp_6-31g(d).firefly.inp (generated)

000000391.b3lyp_6-31g(d).smash.inp (generated)

000000391.b3lyp_6-31g(d).nwchem.inp (generated) 000000391.b3lyp_6-31g(d).log.xz 000000391.td-b3lyp_6-31g+(d).inp 000000391.td-b3lyp_6-31g+(d).log.xz

000000391.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000391.td-b3lyp_6-31+g(d).gjf (generated)

000000391.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000391.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000391.mol 000000391.PUBCHEM 000000391.mol (via Jmol)
000000392.b3lyp_6-31g(d).inp

000000392.b3lyp_6-31g(d).qchem.inp (generated)

000000392.b3lyp_6-31g(d).gjf (generated)

000000392.b3lyp_6-31g(d).firefly.inp (generated)

000000392.b3lyp_6-31g(d).smash.inp (generated)

000000392.b3lyp_6-31g(d).nwchem.inp (generated) 000000392.b3lyp_6-31g(d).log.xz 000000392.td-b3lyp_6-31g+(d).inp 000000392.td-b3lyp_6-31g+(d).log.xz

000000392.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000392.td-b3lyp_6-31+g(d).gjf (generated)

000000392.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000392.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000392.mol 000000392.PUBCHEM 000000392.mol (via Jmol)
000000393.b3lyp_6-31g(d).inp

000000393.b3lyp_6-31g(d).qchem.inp (generated)

000000393.b3lyp_6-31g(d).gjf (generated)

000000393.b3lyp_6-31g(d).firefly.inp (generated)

000000393.b3lyp_6-31g(d).smash.inp (generated)

000000393.b3lyp_6-31g(d).nwchem.inp (generated) 000000393.b3lyp_6-31g(d).log.xz 000000393.td-b3lyp_6-31g+(d).inp 000000393.td-b3lyp_6-31g+(d).log.xz

000000393.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000393.td-b3lyp_6-31+g(d).gjf (generated)

000000393.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000393.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000393.mol 000000393.PUBCHEM 000000393.mol (via Jmol)
000000397.b3lyp_6-31g(d).inp

000000397.b3lyp_6-31g(d).qchem.inp (generated)

000000397.b3lyp_6-31g(d).gjf (generated)

000000397.b3lyp_6-31g(d).firefly.inp (generated)

000000397.b3lyp_6-31g(d).smash.inp (generated)

000000397.b3lyp_6-31g(d).nwchem.inp (generated) 000000397.b3lyp_6-31g(d).log.xz 000000397.td-b3lyp_6-31g+(d).inp 000000397.td-b3lyp_6-31g+(d).log.xz

000000397.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000397.td-b3lyp_6-31+g(d).gjf (generated)

000000397.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000397.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000397.mol 000000397.PUBCHEM 000000397.mol (via Jmol)
000000398.b3lyp_6-31g(d).inp

000000398.b3lyp_6-31g(d).qchem.inp (generated)

000000398.b3lyp_6-31g(d).gjf (generated)

000000398.b3lyp_6-31g(d).firefly.inp (generated)

000000398.b3lyp_6-31g(d).smash.inp (generated)

000000398.b3lyp_6-31g(d).nwchem.inp (generated) 000000398.b3lyp_6-31g(d).log.xz 000000398.td-b3lyp_6-31g+(d).inp 000000398.td-b3lyp_6-31g+(d).log.xz

000000398.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000398.td-b3lyp_6-31+g(d).gjf (generated)

000000398.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000398.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000398.mol 000000398.PUBCHEM 000000398.mol (via Jmol)
000000399.b3lyp_6-31g(d).inp

000000399.b3lyp_6-31g(d).qchem.inp (generated)

000000399.b3lyp_6-31g(d).gjf (generated)

000000399.b3lyp_6-31g(d).firefly.inp (generated)

000000399.b3lyp_6-31g(d).smash.inp (generated)

000000399.b3lyp_6-31g(d).nwchem.inp (generated) 000000399.b3lyp_6-31g(d).log.xz 000000399.td-b3lyp_6-31g+(d).inp 000000399.td-b3lyp_6-31g+(d).log.xz

000000399.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000399.td-b3lyp_6-31+g(d).gjf (generated)

000000399.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000399.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000399.mol 000000399.PUBCHEM 000000399.mol (via Jmol)
000000400.b3lyp_6-31g(d).inp

000000400.b3lyp_6-31g(d).qchem.inp (generated)

000000400.b3lyp_6-31g(d).gjf (generated)

000000400.b3lyp_6-31g(d).firefly.inp (generated)

000000400.b3lyp_6-31g(d).smash.inp (generated)

000000400.b3lyp_6-31g(d).nwchem.inp (generated) 000000400.b3lyp_6-31g(d).log.xz 000000400.td-b3lyp_6-31g+(d).inp 000000400.td-b3lyp_6-31g+(d).log.xz

000000400.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000400.td-b3lyp_6-31+g(d).gjf (generated)

000000400.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000400.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000400.mol 000000400.PUBCHEM 000000400.mol (via Jmol)
000000401.b3lyp_6-31g(d).inp

000000401.b3lyp_6-31g(d).qchem.inp (generated)

000000401.b3lyp_6-31g(d).gjf (generated)

000000401.b3lyp_6-31g(d).firefly.inp (generated)

000000401.b3lyp_6-31g(d).smash.inp (generated)

000000401.b3lyp_6-31g(d).nwchem.inp (generated) 000000401.b3lyp_6-31g(d).log.xz 000000401.td-b3lyp_6-31g+(d).inp 000000401.td-b3lyp_6-31g+(d).log.xz

000000401.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000401.td-b3lyp_6-31+g(d).gjf (generated)

000000401.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000401.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000401.mol 000000401.PUBCHEM 000000401.mol (via Jmol)
000000402.b3lyp_6-31g(d).inp

000000402.b3lyp_6-31g(d).qchem.inp (generated)

000000402.b3lyp_6-31g(d).gjf (generated)

000000402.b3lyp_6-31g(d).firefly.inp (generated)

000000402.b3lyp_6-31g(d).smash.inp (generated)

000000402.b3lyp_6-31g(d).nwchem.inp (generated) 000000402.b3lyp_6-31g(d).log.xz 000000402.td-b3lyp_6-31g+(d).inp 000000402.td-b3lyp_6-31g+(d).log.xz

000000402.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000402.td-b3lyp_6-31+g(d).gjf (generated)

000000402.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000402.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000402.mol 000000402.PUBCHEM 000000402.mol (via Jmol)
000000403.b3lyp_6-31g(d).inp

000000403.b3lyp_6-31g(d).qchem.inp (generated)

000000403.b3lyp_6-31g(d).gjf (generated)

000000403.b3lyp_6-31g(d).firefly.inp (generated)

000000403.b3lyp_6-31g(d).smash.inp (generated)

000000403.b3lyp_6-31g(d).nwchem.inp (generated) 000000403.b3lyp_6-31g(d).log.xz 000000403.td-b3lyp_6-31g+(d).inp 000000403.td-b3lyp_6-31g+(d).log.xz

000000403.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000403.td-b3lyp_6-31+g(d).gjf (generated)

000000403.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000403.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000403.mol 000000403.PUBCHEM 000000403.mol (via Jmol)
000000404.b3lyp_6-31g(d).inp

000000404.b3lyp_6-31g(d).qchem.inp (generated)

000000404.b3lyp_6-31g(d).gjf (generated)

000000404.b3lyp_6-31g(d).firefly.inp (generated)

000000404.b3lyp_6-31g(d).smash.inp (generated)

000000404.b3lyp_6-31g(d).nwchem.inp (generated) 000000404.b3lyp_6-31g(d).log.xz 000000404.td-b3lyp_6-31g+(d).inp 000000404.td-b3lyp_6-31g+(d).log.xz

000000404.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000404.td-b3lyp_6-31+g(d).gjf (generated)

000000404.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000404.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000404.mol 000000404.PUBCHEM 000000404.mol (via Jmol)
000000405.b3lyp_6-31g(d).inp

000000405.b3lyp_6-31g(d).qchem.inp (generated)

000000405.b3lyp_6-31g(d).gjf (generated)

000000405.b3lyp_6-31g(d).firefly.inp (generated)

000000405.b3lyp_6-31g(d).smash.inp (generated)

000000405.b3lyp_6-31g(d).nwchem.inp (generated) 000000405.b3lyp_6-31g(d).log.xz 000000405.td-b3lyp_6-31g+(d).inp 000000405.td-b3lyp_6-31g+(d).log.xz

000000405.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000405.td-b3lyp_6-31+g(d).gjf (generated)

000000405.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000405.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000405.mol 000000405.PUBCHEM 000000405.mol (via Jmol)
000000408.b3lyp_6-31g(d).inp

000000408.b3lyp_6-31g(d).qchem.inp (generated)

000000408.b3lyp_6-31g(d).gjf (generated)

000000408.b3lyp_6-31g(d).firefly.inp (generated)

000000408.b3lyp_6-31g(d).smash.inp (generated)

000000408.b3lyp_6-31g(d).nwchem.inp (generated) 000000408.b3lyp_6-31g(d).log.xz 000000408.td-b3lyp_6-31g+(d).inp 000000408.td-b3lyp_6-31g+(d).log.xz

000000408.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000408.td-b3lyp_6-31+g(d).gjf (generated)

000000408.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000408.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000408.mol 000000408.PUBCHEM 000000408.mol (via Jmol)
000000409.b3lyp_6-31g(d).inp

000000409.b3lyp_6-31g(d).qchem.inp (generated)

000000409.b3lyp_6-31g(d).gjf (generated)

000000409.b3lyp_6-31g(d).firefly.inp (generated)

000000409.b3lyp_6-31g(d).smash.inp (generated)

000000409.b3lyp_6-31g(d).nwchem.inp (generated) 000000409.b3lyp_6-31g(d).log.xz 000000409.td-b3lyp_6-31g+(d).inp 000000409.td-b3lyp_6-31g+(d).log.xz

000000409.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000409.td-b3lyp_6-31+g(d).gjf (generated)

000000409.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000409.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000409.mol 000000409.PUBCHEM 000000409.mol (via Jmol)
000000410.b3lyp_6-31g(d).inp

000000410.b3lyp_6-31g(d).qchem.inp (generated)

000000410.b3lyp_6-31g(d).gjf (generated)

000000410.b3lyp_6-31g(d).firefly.inp (generated)

000000410.b3lyp_6-31g(d).smash.inp (generated)

000000410.b3lyp_6-31g(d).nwchem.inp (generated) 000000410.b3lyp_6-31g(d).log.xz 000000410.td-b3lyp_6-31g+(d).inp 000000410.td-b3lyp_6-31g+(d).log.xz

000000410.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000410.td-b3lyp_6-31+g(d).gjf (generated)

000000410.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000410.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000410.mol 000000410.PUBCHEM 000000410.mol (via Jmol)
000000411.b3lyp_6-31g(d).inp

000000411.b3lyp_6-31g(d).qchem.inp (generated)

000000411.b3lyp_6-31g(d).gjf (generated)

000000411.b3lyp_6-31g(d).firefly.inp (generated)

000000411.b3lyp_6-31g(d).smash.inp (generated)

000000411.b3lyp_6-31g(d).nwchem.inp (generated) 000000411.b3lyp_6-31g(d).log.xz 000000411.td-b3lyp_6-31g+(d).inp 000000411.td-b3lyp_6-31g+(d).log.xz

000000411.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000411.td-b3lyp_6-31+g(d).gjf (generated)

000000411.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000411.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000411.mol 000000411.PUBCHEM 000000411.mol (via Jmol)
000000412.b3lyp_6-31g(d).inp

000000412.b3lyp_6-31g(d).qchem.inp (generated)

000000412.b3lyp_6-31g(d).gjf (generated)

000000412.b3lyp_6-31g(d).firefly.inp (generated)

000000412.b3lyp_6-31g(d).smash.inp (generated)

000000412.b3lyp_6-31g(d).nwchem.inp (generated) 000000412.b3lyp_6-31g(d).log.xz 000000412.td-b3lyp_6-31g+(d).inp 000000412.td-b3lyp_6-31g+(d).log.xz

000000412.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000412.td-b3lyp_6-31+g(d).gjf (generated)

000000412.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000412.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000412.mol 000000412.PUBCHEM 000000412.mol (via Jmol)
000000413.b3lyp_6-31g(d).inp

000000413.b3lyp_6-31g(d).qchem.inp (generated)

000000413.b3lyp_6-31g(d).gjf (generated)

000000413.b3lyp_6-31g(d).firefly.inp (generated)

000000413.b3lyp_6-31g(d).smash.inp (generated)

000000413.b3lyp_6-31g(d).nwchem.inp (generated) 000000413.b3lyp_6-31g(d).log.xz 000000413.td-b3lyp_6-31g+(d).inp 000000413.td-b3lyp_6-31g+(d).log.xz

000000413.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000413.td-b3lyp_6-31+g(d).gjf (generated)

000000413.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000413.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000413.mol 000000413.PUBCHEM 000000413.mol (via Jmol)
000000414.b3lyp_6-31g(d).inp

000000414.b3lyp_6-31g(d).qchem.inp (generated)

000000414.b3lyp_6-31g(d).gjf (generated)

000000414.b3lyp_6-31g(d).firefly.inp (generated)

000000414.b3lyp_6-31g(d).smash.inp (generated)

000000414.b3lyp_6-31g(d).nwchem.inp (generated) 000000414.b3lyp_6-31g(d).log.xz 000000414.td-b3lyp_6-31g+(d).inp 000000414.td-b3lyp_6-31g+(d).log.xz

000000414.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000414.td-b3lyp_6-31+g(d).gjf (generated)

000000414.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000414.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000414.mol 000000414.PUBCHEM 000000414.mol (via Jmol)
000000415.b3lyp_6-31g(d).inp

000000415.b3lyp_6-31g(d).qchem.inp (generated)

000000415.b3lyp_6-31g(d).gjf (generated)

000000415.b3lyp_6-31g(d).firefly.inp (generated)

000000415.b3lyp_6-31g(d).smash.inp (generated)

000000415.b3lyp_6-31g(d).nwchem.inp (generated) 000000415.b3lyp_6-31g(d).log.xz 000000415.td-b3lyp_6-31g+(d).inp 000000415.td-b3lyp_6-31g+(d).log.xz

000000415.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000415.td-b3lyp_6-31+g(d).gjf (generated)

000000415.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000415.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000415.mol 000000415.PUBCHEM 000000415.mol (via Jmol)
000000416.b3lyp_6-31g(d).inp

000000416.b3lyp_6-31g(d).qchem.inp (generated)

000000416.b3lyp_6-31g(d).gjf (generated)

000000416.b3lyp_6-31g(d).firefly.inp (generated)

000000416.b3lyp_6-31g(d).smash.inp (generated)

000000416.b3lyp_6-31g(d).nwchem.inp (generated) 000000416.b3lyp_6-31g(d).log.xz 000000416.td-b3lyp_6-31g+(d).inp 000000416.td-b3lyp_6-31g+(d).log.xz

000000416.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000416.td-b3lyp_6-31+g(d).gjf (generated)

000000416.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000416.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000416.mol 000000416.PUBCHEM 000000416.mol (via Jmol)
000000417.b3lyp_6-31g(d).inp

000000417.b3lyp_6-31g(d).qchem.inp (generated)

000000417.b3lyp_6-31g(d).gjf (generated)

000000417.b3lyp_6-31g(d).firefly.inp (generated)

000000417.b3lyp_6-31g(d).smash.inp (generated)

000000417.b3lyp_6-31g(d).nwchem.inp (generated) 000000417.b3lyp_6-31g(d).log.xz 000000417.td-b3lyp_6-31g+(d).inp 000000417.td-b3lyp_6-31g+(d).log.xz

000000417.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000417.td-b3lyp_6-31+g(d).gjf (generated)

000000417.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000417.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000417.mol 000000417.PUBCHEM 000000417.mol (via Jmol)
000000418.b3lyp_6-31g(d).inp

000000418.b3lyp_6-31g(d).qchem.inp (generated)

000000418.b3lyp_6-31g(d).gjf (generated)

000000418.b3lyp_6-31g(d).firefly.inp (generated)

000000418.b3lyp_6-31g(d).smash.inp (generated)

000000418.b3lyp_6-31g(d).nwchem.inp (generated) 000000418.b3lyp_6-31g(d).log.xz 000000418.td-b3lyp_6-31g+(d).inp 000000418.td-b3lyp_6-31g+(d).log.xz

000000418.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000418.td-b3lyp_6-31+g(d).gjf (generated)

000000418.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000418.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000418.mol 000000418.PUBCHEM 000000418.mol (via Jmol)
000000419.b3lyp_6-31g(d).inp

000000419.b3lyp_6-31g(d).qchem.inp (generated)

000000419.b3lyp_6-31g(d).gjf (generated)

000000419.b3lyp_6-31g(d).firefly.inp (generated)

000000419.b3lyp_6-31g(d).smash.inp (generated)

000000419.b3lyp_6-31g(d).nwchem.inp (generated) 000000419.b3lyp_6-31g(d).log.xz 000000419.td-b3lyp_6-31g+(d).inp 000000419.td-b3lyp_6-31g+(d).log.xz

000000419.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000419.td-b3lyp_6-31+g(d).gjf (generated)

000000419.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000419.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000419.mol 000000419.PUBCHEM 000000419.mol (via Jmol)
000000420.b3lyp_6-31g(d).inp

000000420.b3lyp_6-31g(d).qchem.inp (generated)

000000420.b3lyp_6-31g(d).gjf (generated)

000000420.b3lyp_6-31g(d).firefly.inp (generated)

000000420.b3lyp_6-31g(d).smash.inp (generated)

000000420.b3lyp_6-31g(d).nwchem.inp (generated) 000000420.b3lyp_6-31g(d).log.xz 000000420.td-b3lyp_6-31g+(d).inp 000000420.td-b3lyp_6-31g+(d).log.xz

000000420.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000420.td-b3lyp_6-31+g(d).gjf (generated)

000000420.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000420.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000420.mol 000000420.PUBCHEM 000000420.mol (via Jmol)
000000421.b3lyp_6-31g(d).inp

000000421.b3lyp_6-31g(d).qchem.inp (generated)

000000421.b3lyp_6-31g(d).gjf (generated)

000000421.b3lyp_6-31g(d).firefly.inp (generated)

000000421.b3lyp_6-31g(d).smash.inp (generated)

000000421.b3lyp_6-31g(d).nwchem.inp (generated) 000000421.b3lyp_6-31g(d).log.xz 000000421.td-b3lyp_6-31g+(d).inp 000000421.td-b3lyp_6-31g+(d).log.xz

000000421.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000421.td-b3lyp_6-31+g(d).gjf (generated)

000000421.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000421.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000421.mol 000000421.PUBCHEM 000000421.mol (via Jmol)
000000422.b3lyp_6-31g(d).inp

000000422.b3lyp_6-31g(d).qchem.inp (generated)

000000422.b3lyp_6-31g(d).gjf (generated)

000000422.b3lyp_6-31g(d).firefly.inp (generated)

000000422.b3lyp_6-31g(d).smash.inp (generated)

000000422.b3lyp_6-31g(d).nwchem.inp (generated) 000000422.b3lyp_6-31g(d).log.xz 000000422.td-b3lyp_6-31g+(d).inp 000000422.td-b3lyp_6-31g+(d).log.xz

000000422.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000422.td-b3lyp_6-31+g(d).gjf (generated)

000000422.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000422.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000422.mol 000000422.PUBCHEM 000000422.mol (via Jmol)
000000423.b3lyp_6-31g(d).inp

000000423.b3lyp_6-31g(d).qchem.inp (generated)

000000423.b3lyp_6-31g(d).gjf (generated)

000000423.b3lyp_6-31g(d).firefly.inp (generated)

000000423.b3lyp_6-31g(d).smash.inp (generated)

000000423.b3lyp_6-31g(d).nwchem.inp (generated) 000000423.b3lyp_6-31g(d).log.xz 000000423.td-b3lyp_6-31g+(d).inp 000000423.td-b3lyp_6-31g+(d).log.xz

000000423.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000423.td-b3lyp_6-31+g(d).gjf (generated)

000000423.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000423.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000423.mol 000000423.PUBCHEM 000000423.mol (via Jmol)
000000424.b3lyp_6-31g(d).inp

000000424.b3lyp_6-31g(d).qchem.inp (generated)

000000424.b3lyp_6-31g(d).gjf (generated)

000000424.b3lyp_6-31g(d).firefly.inp (generated)

000000424.b3lyp_6-31g(d).smash.inp (generated)

000000424.b3lyp_6-31g(d).nwchem.inp (generated) 000000424.b3lyp_6-31g(d).log.xz 000000424.td-b3lyp_6-31g+(d).inp 000000424.td-b3lyp_6-31g+(d).log.xz

000000424.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000424.td-b3lyp_6-31+g(d).gjf (generated)

000000424.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000424.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000424.mol 000000424.PUBCHEM 000000424.mol (via Jmol)
000000425.b3lyp_6-31g(d).inp

000000425.b3lyp_6-31g(d).qchem.inp (generated)

000000425.b3lyp_6-31g(d).gjf (generated)

000000425.b3lyp_6-31g(d).firefly.inp (generated)

000000425.b3lyp_6-31g(d).smash.inp (generated)

000000425.b3lyp_6-31g(d).nwchem.inp (generated) 000000425.b3lyp_6-31g(d).log.xz 000000425.td-b3lyp_6-31g+(d).inp 000000425.td-b3lyp_6-31g+(d).log.xz

000000425.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000425.td-b3lyp_6-31+g(d).gjf (generated)

000000425.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000425.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000425.mol 000000425.PUBCHEM 000000425.mol (via Jmol)
000000426.b3lyp_6-31g(d).inp

000000426.b3lyp_6-31g(d).qchem.inp (generated)

000000426.b3lyp_6-31g(d).gjf (generated)

000000426.b3lyp_6-31g(d).firefly.inp (generated)

000000426.b3lyp_6-31g(d).smash.inp (generated)

000000426.b3lyp_6-31g(d).nwchem.inp (generated) 000000426.b3lyp_6-31g(d).log.xz 000000426.td-b3lyp_6-31g+(d).inp 000000426.td-b3lyp_6-31g+(d).log.xz

000000426.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000426.td-b3lyp_6-31+g(d).gjf (generated)

000000426.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000426.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000426.mol 000000426.PUBCHEM 000000426.mol (via Jmol)
000000427.b3lyp_6-31g(d).inp

000000427.b3lyp_6-31g(d).qchem.inp (generated)

000000427.b3lyp_6-31g(d).gjf (generated)

000000427.b3lyp_6-31g(d).firefly.inp (generated)

000000427.b3lyp_6-31g(d).smash.inp (generated)

000000427.b3lyp_6-31g(d).nwchem.inp (generated) 000000427.b3lyp_6-31g(d).log.xz 000000427.td-b3lyp_6-31g+(d).inp 000000427.td-b3lyp_6-31g+(d).log.xz

000000427.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000427.td-b3lyp_6-31+g(d).gjf (generated)

000000427.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000427.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000427.mol 000000427.PUBCHEM 000000427.mol (via Jmol)
000000428.b3lyp_6-31g(d).inp

000000428.b3lyp_6-31g(d).qchem.inp (generated)

000000428.b3lyp_6-31g(d).gjf (generated)

000000428.b3lyp_6-31g(d).firefly.inp (generated)

000000428.b3lyp_6-31g(d).smash.inp (generated)

000000428.b3lyp_6-31g(d).nwchem.inp (generated) 000000428.b3lyp_6-31g(d).log.xz 000000428.td-b3lyp_6-31g+(d).inp 000000428.td-b3lyp_6-31g+(d).log.xz

000000428.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000428.td-b3lyp_6-31+g(d).gjf (generated)

000000428.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000428.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000428.mol 000000428.PUBCHEM 000000428.mol (via Jmol)
000000429.b3lyp_6-31g(d).inp

000000429.b3lyp_6-31g(d).qchem.inp (generated)

000000429.b3lyp_6-31g(d).gjf (generated)

000000429.b3lyp_6-31g(d).firefly.inp (generated)

000000429.b3lyp_6-31g(d).smash.inp (generated)

000000429.b3lyp_6-31g(d).nwchem.inp (generated) 000000429.b3lyp_6-31g(d).log.xz 000000429.td-b3lyp_6-31g+(d).inp 000000429.td-b3lyp_6-31g+(d).log.xz

000000429.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000429.td-b3lyp_6-31+g(d).gjf (generated)

000000429.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000429.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000429.mol 000000429.PUBCHEM 000000429.mol (via Jmol)
000000430.b3lyp_6-31g(d).inp

000000430.b3lyp_6-31g(d).qchem.inp (generated)

000000430.b3lyp_6-31g(d).gjf (generated)

000000430.b3lyp_6-31g(d).firefly.inp (generated)

000000430.b3lyp_6-31g(d).smash.inp (generated)

000000430.b3lyp_6-31g(d).nwchem.inp (generated) 000000430.b3lyp_6-31g(d).log.xz 000000430.td-b3lyp_6-31g+(d).inp 000000430.td-b3lyp_6-31g+(d).log.xz

000000430.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000430.td-b3lyp_6-31+g(d).gjf (generated)

000000430.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000430.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000430.mol 000000430.PUBCHEM 000000430.mol (via Jmol)
000000431.b3lyp_6-31g(d).inp

000000431.b3lyp_6-31g(d).qchem.inp (generated)

000000431.b3lyp_6-31g(d).gjf (generated)

000000431.b3lyp_6-31g(d).firefly.inp (generated)

000000431.b3lyp_6-31g(d).smash.inp (generated)

000000431.b3lyp_6-31g(d).nwchem.inp (generated) 000000431.b3lyp_6-31g(d).log.xz 000000431.td-b3lyp_6-31g+(d).inp 000000431.td-b3lyp_6-31g+(d).log.xz

000000431.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000431.td-b3lyp_6-31+g(d).gjf (generated)

000000431.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000431.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000431.mol 000000431.PUBCHEM 000000431.mol (via Jmol)
000000432.b3lyp_6-31g(d).inp

000000432.b3lyp_6-31g(d).qchem.inp (generated)

000000432.b3lyp_6-31g(d).gjf (generated)

000000432.b3lyp_6-31g(d).firefly.inp (generated)

000000432.b3lyp_6-31g(d).smash.inp (generated)

000000432.b3lyp_6-31g(d).nwchem.inp (generated) 000000432.b3lyp_6-31g(d).log.xz 000000432.td-b3lyp_6-31g+(d).inp 000000432.td-b3lyp_6-31g+(d).log.xz

000000432.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000432.td-b3lyp_6-31+g(d).gjf (generated)

000000432.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000432.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000432.mol 000000432.PUBCHEM 000000432.mol (via Jmol)
000000433.b3lyp_6-31g(d).inp

000000433.b3lyp_6-31g(d).qchem.inp (generated)

000000433.b3lyp_6-31g(d).gjf (generated)

000000433.b3lyp_6-31g(d).firefly.inp (generated)

000000433.b3lyp_6-31g(d).smash.inp (generated)

000000433.b3lyp_6-31g(d).nwchem.inp (generated) 000000433.b3lyp_6-31g(d).log.xz 000000433.td-b3lyp_6-31g+(d).inp 000000433.td-b3lyp_6-31g+(d).log.xz

000000433.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000433.td-b3lyp_6-31+g(d).gjf (generated)

000000433.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000433.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000433.mol 000000433.PUBCHEM 000000433.mol (via Jmol)
000000434.b3lyp_6-31g(d).inp

000000434.b3lyp_6-31g(d).qchem.inp (generated)

000000434.b3lyp_6-31g(d).gjf (generated)

000000434.b3lyp_6-31g(d).firefly.inp (generated)

000000434.b3lyp_6-31g(d).smash.inp (generated)

000000434.b3lyp_6-31g(d).nwchem.inp (generated) 000000434.b3lyp_6-31g(d).log.xz 000000434.td-b3lyp_6-31g+(d).inp 000000434.td-b3lyp_6-31g+(d).log.xz

000000434.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000434.td-b3lyp_6-31+g(d).gjf (generated)

000000434.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000434.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000434.mol 000000434.PUBCHEM 000000434.mol (via Jmol)
000000435.b3lyp_6-31g(d).inp

000000435.b3lyp_6-31g(d).qchem.inp (generated)

000000435.b3lyp_6-31g(d).gjf (generated)

000000435.b3lyp_6-31g(d).firefly.inp (generated)

000000435.b3lyp_6-31g(d).smash.inp (generated)

000000435.b3lyp_6-31g(d).nwchem.inp (generated) 000000435.b3lyp_6-31g(d).log.xz 000000435.td-b3lyp_6-31g+(d).inp 000000435.td-b3lyp_6-31g+(d).log.xz

000000435.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000435.td-b3lyp_6-31+g(d).gjf (generated)

000000435.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000435.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000435.mol 000000435.PUBCHEM 000000435.mol (via Jmol)
000000436.b3lyp_6-31g(d).inp

000000436.b3lyp_6-31g(d).qchem.inp (generated)

000000436.b3lyp_6-31g(d).gjf (generated)

000000436.b3lyp_6-31g(d).firefly.inp (generated)

000000436.b3lyp_6-31g(d).smash.inp (generated)

000000436.b3lyp_6-31g(d).nwchem.inp (generated) 000000436.b3lyp_6-31g(d).log.xz 000000436.td-b3lyp_6-31g+(d).inp 000000436.td-b3lyp_6-31g+(d).log.xz

000000436.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000436.td-b3lyp_6-31+g(d).gjf (generated)

000000436.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000436.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000436.mol 000000436.PUBCHEM 000000436.mol (via Jmol)
000000437.b3lyp_6-31g(d).inp

000000437.b3lyp_6-31g(d).qchem.inp (generated)

000000437.b3lyp_6-31g(d).gjf (generated)

000000437.b3lyp_6-31g(d).firefly.inp (generated)

000000437.b3lyp_6-31g(d).smash.inp (generated)

000000437.b3lyp_6-31g(d).nwchem.inp (generated) 000000437.b3lyp_6-31g(d).log.xz 000000437.td-b3lyp_6-31g+(d).inp 000000437.td-b3lyp_6-31g+(d).log.xz

000000437.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000437.td-b3lyp_6-31+g(d).gjf (generated)

000000437.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000437.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000437.mol 000000437.PUBCHEM 000000437.mol (via Jmol)
000000438.b3lyp_6-31g(d).inp

000000438.b3lyp_6-31g(d).qchem.inp (generated)

000000438.b3lyp_6-31g(d).gjf (generated)

000000438.b3lyp_6-31g(d).firefly.inp (generated)

000000438.b3lyp_6-31g(d).smash.inp (generated)

000000438.b3lyp_6-31g(d).nwchem.inp (generated) 000000438.b3lyp_6-31g(d).log.xz 000000438.td-b3lyp_6-31g+(d).inp 000000438.td-b3lyp_6-31g+(d).log.xz

000000438.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000438.td-b3lyp_6-31+g(d).gjf (generated)

000000438.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000438.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000438.mol 000000438.PUBCHEM 000000438.mol (via Jmol)
000000439.b3lyp_6-31g(d).inp

000000439.b3lyp_6-31g(d).qchem.inp (generated)

000000439.b3lyp_6-31g(d).gjf (generated)

000000439.b3lyp_6-31g(d).firefly.inp (generated)

000000439.b3lyp_6-31g(d).smash.inp (generated)

000000439.b3lyp_6-31g(d).nwchem.inp (generated) 000000439.b3lyp_6-31g(d).log.xz 000000439.td-b3lyp_6-31g+(d).inp 000000439.td-b3lyp_6-31g+(d).log.xz

000000439.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000439.td-b3lyp_6-31+g(d).gjf (generated)

000000439.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000439.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000439.mol 000000439.PUBCHEM 000000439.mol (via Jmol)
000000440.b3lyp_6-31g(d).inp

000000440.b3lyp_6-31g(d).qchem.inp (generated)

000000440.b3lyp_6-31g(d).gjf (generated)

000000440.b3lyp_6-31g(d).firefly.inp (generated)

000000440.b3lyp_6-31g(d).smash.inp (generated)

000000440.b3lyp_6-31g(d).nwchem.inp (generated) 000000440.b3lyp_6-31g(d).log.xz 000000440.td-b3lyp_6-31g+(d).inp 000000440.td-b3lyp_6-31g+(d).log.xz

000000440.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000440.td-b3lyp_6-31+g(d).gjf (generated)

000000440.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000440.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000440.mol 000000440.PUBCHEM 000000440.mol (via Jmol)
000000441.b3lyp_6-31g(d).inp

000000441.b3lyp_6-31g(d).qchem.inp (generated)

000000441.b3lyp_6-31g(d).gjf (generated)

000000441.b3lyp_6-31g(d).firefly.inp (generated)

000000441.b3lyp_6-31g(d).smash.inp (generated)

000000441.b3lyp_6-31g(d).nwchem.inp (generated) 000000441.b3lyp_6-31g(d).log.xz 000000441.td-b3lyp_6-31g+(d).inp 000000441.td-b3lyp_6-31g+(d).log.xz

000000441.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000441.td-b3lyp_6-31+g(d).gjf (generated)

000000441.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000441.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000441.mol 000000441.PUBCHEM 000000441.mol (via Jmol)
000000442.b3lyp_6-31g(d).inp

000000442.b3lyp_6-31g(d).qchem.inp (generated)

000000442.b3lyp_6-31g(d).gjf (generated)

000000442.b3lyp_6-31g(d).firefly.inp (generated)

000000442.b3lyp_6-31g(d).smash.inp (generated)

000000442.b3lyp_6-31g(d).nwchem.inp (generated) 000000442.b3lyp_6-31g(d).log.xz 000000442.td-b3lyp_6-31g+(d).inp 000000442.td-b3lyp_6-31g+(d).log.xz

000000442.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000442.td-b3lyp_6-31+g(d).gjf (generated)

000000442.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000442.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000442.mol 000000442.PUBCHEM 000000442.mol (via Jmol)
000000443.b3lyp_6-31g(d).inp

000000443.b3lyp_6-31g(d).qchem.inp (generated)

000000443.b3lyp_6-31g(d).gjf (generated)

000000443.b3lyp_6-31g(d).firefly.inp (generated)

000000443.b3lyp_6-31g(d).smash.inp (generated)

000000443.b3lyp_6-31g(d).nwchem.inp (generated) 000000443.b3lyp_6-31g(d).log.xz 000000443.td-b3lyp_6-31g+(d).inp 000000443.td-b3lyp_6-31g+(d).log.xz

000000443.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000443.td-b3lyp_6-31+g(d).gjf (generated)

000000443.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000443.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000443.mol 000000443.PUBCHEM 000000443.mol (via Jmol)
000000444.b3lyp_6-31g(d).inp

000000444.b3lyp_6-31g(d).qchem.inp (generated)

000000444.b3lyp_6-31g(d).gjf (generated)

000000444.b3lyp_6-31g(d).firefly.inp (generated)

000000444.b3lyp_6-31g(d).smash.inp (generated)

000000444.b3lyp_6-31g(d).nwchem.inp (generated) 000000444.b3lyp_6-31g(d).log.xz 000000444.td-b3lyp_6-31g+(d).inp 000000444.td-b3lyp_6-31g+(d).log.xz

000000444.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000444.td-b3lyp_6-31+g(d).gjf (generated)

000000444.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000444.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000444.mol 000000444.PUBCHEM 000000444.mol (via Jmol)
000000445.b3lyp_6-31g(d).inp

000000445.b3lyp_6-31g(d).qchem.inp (generated)

000000445.b3lyp_6-31g(d).gjf (generated)

000000445.b3lyp_6-31g(d).firefly.inp (generated)

000000445.b3lyp_6-31g(d).smash.inp (generated)

000000445.b3lyp_6-31g(d).nwchem.inp (generated) 000000445.b3lyp_6-31g(d).log.xz 000000445.td-b3lyp_6-31g+(d).inp 000000445.td-b3lyp_6-31g+(d).log.xz

000000445.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000445.td-b3lyp_6-31+g(d).gjf (generated)

000000445.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000445.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000445.mol 000000445.PUBCHEM 000000445.mol (via Jmol)
000000446.b3lyp_6-31g(d).inp

000000446.b3lyp_6-31g(d).qchem.inp (generated)

000000446.b3lyp_6-31g(d).gjf (generated)

000000446.b3lyp_6-31g(d).firefly.inp (generated)

000000446.b3lyp_6-31g(d).smash.inp (generated)

000000446.b3lyp_6-31g(d).nwchem.inp (generated) 000000446.b3lyp_6-31g(d).log.xz 000000446.td-b3lyp_6-31g+(d).inp 000000446.td-b3lyp_6-31g+(d).log.xz

000000446.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000446.td-b3lyp_6-31+g(d).gjf (generated)

000000446.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000446.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000446.mol 000000446.PUBCHEM 000000446.mol (via Jmol)
000000447.b3lyp_6-31g(d).inp

000000447.b3lyp_6-31g(d).qchem.inp (generated)

000000447.b3lyp_6-31g(d).gjf (generated)

000000447.b3lyp_6-31g(d).firefly.inp (generated)

000000447.b3lyp_6-31g(d).smash.inp (generated)

000000447.b3lyp_6-31g(d).nwchem.inp (generated) 000000447.b3lyp_6-31g(d).log.xz 000000447.td-b3lyp_6-31g+(d).inp 000000447.td-b3lyp_6-31g+(d).log.xz

000000447.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000447.td-b3lyp_6-31+g(d).gjf (generated)

000000447.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000447.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000447.mol 000000447.PUBCHEM 000000447.mol (via Jmol)
000000448.b3lyp_6-31g(d).inp

000000448.b3lyp_6-31g(d).qchem.inp (generated)

000000448.b3lyp_6-31g(d).gjf (generated)

000000448.b3lyp_6-31g(d).firefly.inp (generated)

000000448.b3lyp_6-31g(d).smash.inp (generated)

000000448.b3lyp_6-31g(d).nwchem.inp (generated) 000000448.b3lyp_6-31g(d).log.xz 000000448.td-b3lyp_6-31g+(d).inp 000000448.td-b3lyp_6-31g+(d).log.xz

000000448.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000448.td-b3lyp_6-31+g(d).gjf (generated)

000000448.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000448.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000448.mol 000000448.PUBCHEM 000000448.mol (via Jmol)
000000449.b3lyp_6-31g(d).inp

000000449.b3lyp_6-31g(d).qchem.inp (generated)

000000449.b3lyp_6-31g(d).gjf (generated)

000000449.b3lyp_6-31g(d).firefly.inp (generated)

000000449.b3lyp_6-31g(d).smash.inp (generated)

000000449.b3lyp_6-31g(d).nwchem.inp (generated) 000000449.b3lyp_6-31g(d).log.xz 000000449.td-b3lyp_6-31g+(d).inp 000000449.td-b3lyp_6-31g+(d).log.xz

000000449.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000449.td-b3lyp_6-31+g(d).gjf (generated)

000000449.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000449.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000449.mol 000000449.PUBCHEM 000000449.mol (via Jmol)
000000450.b3lyp_6-31g(d).inp

000000450.b3lyp_6-31g(d).qchem.inp (generated)

000000450.b3lyp_6-31g(d).gjf (generated)

000000450.b3lyp_6-31g(d).firefly.inp (generated)

000000450.b3lyp_6-31g(d).smash.inp (generated)

000000450.b3lyp_6-31g(d).nwchem.inp (generated) 000000450.b3lyp_6-31g(d).log.xz 000000450.td-b3lyp_6-31g+(d).inp 000000450.td-b3lyp_6-31g+(d).log.xz

000000450.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000450.td-b3lyp_6-31+g(d).gjf (generated)

000000450.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000450.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000450.mol 000000450.PUBCHEM 000000450.mol (via Jmol)
000000452.b3lyp_6-31g(d).inp

000000452.b3lyp_6-31g(d).qchem.inp (generated)

000000452.b3lyp_6-31g(d).gjf (generated)

000000452.b3lyp_6-31g(d).firefly.inp (generated)

000000452.b3lyp_6-31g(d).smash.inp (generated)

000000452.b3lyp_6-31g(d).nwchem.inp (generated) 000000452.b3lyp_6-31g(d).log.xz 000000452.td-b3lyp_6-31g+(d).inp 000000452.td-b3lyp_6-31g+(d).log.xz

000000452.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000452.td-b3lyp_6-31+g(d).gjf (generated)

000000452.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000452.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000452.mol 000000452.PUBCHEM 000000452.mol (via Jmol)
000000453.b3lyp_6-31g(d).inp

000000453.b3lyp_6-31g(d).qchem.inp (generated)

000000453.b3lyp_6-31g(d).gjf (generated)

000000453.b3lyp_6-31g(d).firefly.inp (generated)

000000453.b3lyp_6-31g(d).smash.inp (generated)

000000453.b3lyp_6-31g(d).nwchem.inp (generated) 000000453.b3lyp_6-31g(d).log.xz 000000453.td-b3lyp_6-31g+(d).inp 000000453.td-b3lyp_6-31g+(d).log.xz

000000453.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000453.td-b3lyp_6-31+g(d).gjf (generated)

000000453.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000453.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000453.mol 000000453.PUBCHEM 000000453.mol (via Jmol)
000000454.b3lyp_6-31g(d).inp

000000454.b3lyp_6-31g(d).qchem.inp (generated)

000000454.b3lyp_6-31g(d).gjf (generated)

000000454.b3lyp_6-31g(d).firefly.inp (generated)

000000454.b3lyp_6-31g(d).smash.inp (generated)

000000454.b3lyp_6-31g(d).nwchem.inp (generated) 000000454.b3lyp_6-31g(d).log.xz 000000454.td-b3lyp_6-31g+(d).inp 000000454.td-b3lyp_6-31g+(d).log.xz

000000454.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000454.td-b3lyp_6-31+g(d).gjf (generated)

000000454.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000454.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000454.mol 000000454.PUBCHEM 000000454.mol (via Jmol)
000000455.b3lyp_6-31g(d).inp

000000455.b3lyp_6-31g(d).qchem.inp (generated)

000000455.b3lyp_6-31g(d).gjf (generated)

000000455.b3lyp_6-31g(d).firefly.inp (generated)

000000455.b3lyp_6-31g(d).smash.inp (generated)

000000455.b3lyp_6-31g(d).nwchem.inp (generated) 000000455.b3lyp_6-31g(d).log.xz 000000455.td-b3lyp_6-31g+(d).inp 000000455.td-b3lyp_6-31g+(d).log.xz

000000455.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000455.td-b3lyp_6-31+g(d).gjf (generated)

000000455.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000455.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000455.mol 000000455.PUBCHEM 000000455.mol (via Jmol)
000000456.b3lyp_6-31g(d).inp

000000456.b3lyp_6-31g(d).qchem.inp (generated)

000000456.b3lyp_6-31g(d).gjf (generated)

000000456.b3lyp_6-31g(d).firefly.inp (generated)

000000456.b3lyp_6-31g(d).smash.inp (generated)

000000456.b3lyp_6-31g(d).nwchem.inp (generated) 000000456.b3lyp_6-31g(d).log.xz 000000456.td-b3lyp_6-31g+(d).inp 000000456.td-b3lyp_6-31g+(d).log.xz

000000456.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000456.td-b3lyp_6-31+g(d).gjf (generated)

000000456.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000456.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000456.mol 000000456.PUBCHEM 000000456.mol (via Jmol)
000000457.b3lyp_6-31g(d).inp

000000457.b3lyp_6-31g(d).qchem.inp (generated)

000000457.b3lyp_6-31g(d).gjf (generated)

000000457.b3lyp_6-31g(d).firefly.inp (generated)

000000457.b3lyp_6-31g(d).smash.inp (generated)

000000457.b3lyp_6-31g(d).nwchem.inp (generated) 000000457.b3lyp_6-31g(d).log.xz 000000457.td-b3lyp_6-31g+(d).inp 000000457.td-b3lyp_6-31g+(d).log.xz

000000457.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000457.td-b3lyp_6-31+g(d).gjf (generated)

000000457.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000457.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000457.mol 000000457.PUBCHEM 000000457.mol (via Jmol)
000000458.b3lyp_6-31g(d).inp

000000458.b3lyp_6-31g(d).qchem.inp (generated)

000000458.b3lyp_6-31g(d).gjf (generated)

000000458.b3lyp_6-31g(d).firefly.inp (generated)

000000458.b3lyp_6-31g(d).smash.inp (generated)

000000458.b3lyp_6-31g(d).nwchem.inp (generated) 000000458.b3lyp_6-31g(d).log.xz 000000458.td-b3lyp_6-31g+(d).inp 000000458.td-b3lyp_6-31g+(d).log.xz

000000458.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000458.td-b3lyp_6-31+g(d).gjf (generated)

000000458.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000458.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000458.mol 000000458.PUBCHEM 000000458.mol (via Jmol)
000000459.b3lyp_6-31g(d).inp

000000459.b3lyp_6-31g(d).qchem.inp (generated)

000000459.b3lyp_6-31g(d).gjf (generated)

000000459.b3lyp_6-31g(d).firefly.inp (generated)

000000459.b3lyp_6-31g(d).smash.inp (generated)

000000459.b3lyp_6-31g(d).nwchem.inp (generated) 000000459.b3lyp_6-31g(d).log.xz 000000459.td-b3lyp_6-31g+(d).inp 000000459.td-b3lyp_6-31g+(d).log.xz

000000459.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000459.td-b3lyp_6-31+g(d).gjf (generated)

000000459.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000459.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000459.mol 000000459.PUBCHEM 000000459.mol (via Jmol)
000000460.b3lyp_6-31g(d).inp

000000460.b3lyp_6-31g(d).qchem.inp (generated)

000000460.b3lyp_6-31g(d).gjf (generated)

000000460.b3lyp_6-31g(d).firefly.inp (generated)

000000460.b3lyp_6-31g(d).smash.inp (generated)

000000460.b3lyp_6-31g(d).nwchem.inp (generated) 000000460.b3lyp_6-31g(d).log.xz 000000460.td-b3lyp_6-31g+(d).inp 000000460.td-b3lyp_6-31g+(d).log.xz

000000460.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000460.td-b3lyp_6-31+g(d).gjf (generated)

000000460.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000460.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000460.mol 000000460.PUBCHEM 000000460.mol (via Jmol)
000000461.b3lyp_6-31g(d).inp

000000461.b3lyp_6-31g(d).qchem.inp (generated)

000000461.b3lyp_6-31g(d).gjf (generated)

000000461.b3lyp_6-31g(d).firefly.inp (generated)

000000461.b3lyp_6-31g(d).smash.inp (generated)

000000461.b3lyp_6-31g(d).nwchem.inp (generated) 000000461.b3lyp_6-31g(d).log.xz 000000461.td-b3lyp_6-31g+(d).inp 000000461.td-b3lyp_6-31g+(d).log.xz

000000461.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000461.td-b3lyp_6-31+g(d).gjf (generated)

000000461.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000461.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000461.mol 000000461.PUBCHEM 000000461.mol (via Jmol)
000000462.b3lyp_6-31g(d).inp

000000462.b3lyp_6-31g(d).qchem.inp (generated)

000000462.b3lyp_6-31g(d).gjf (generated)

000000462.b3lyp_6-31g(d).firefly.inp (generated)

000000462.b3lyp_6-31g(d).smash.inp (generated)

000000462.b3lyp_6-31g(d).nwchem.inp (generated) 000000462.b3lyp_6-31g(d).log.xz 000000462.td-b3lyp_6-31g+(d).inp 000000462.td-b3lyp_6-31g+(d).log.xz

000000462.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000462.td-b3lyp_6-31+g(d).gjf (generated)

000000462.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000462.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000462.mol 000000462.PUBCHEM 000000462.mol (via Jmol)
000000463.b3lyp_6-31g(d).inp

000000463.b3lyp_6-31g(d).qchem.inp (generated)

000000463.b3lyp_6-31g(d).gjf (generated)

000000463.b3lyp_6-31g(d).firefly.inp (generated)

000000463.b3lyp_6-31g(d).smash.inp (generated)

000000463.b3lyp_6-31g(d).nwchem.inp (generated) 000000463.b3lyp_6-31g(d).log.xz 000000463.td-b3lyp_6-31g+(d).inp 000000463.td-b3lyp_6-31g+(d).log.xz

000000463.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000463.td-b3lyp_6-31+g(d).gjf (generated)

000000463.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000463.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000463.mol 000000463.PUBCHEM 000000463.mol (via Jmol)
000000464.b3lyp_6-31g(d).inp

000000464.b3lyp_6-31g(d).qchem.inp (generated)

000000464.b3lyp_6-31g(d).gjf (generated)

000000464.b3lyp_6-31g(d).firefly.inp (generated)

000000464.b3lyp_6-31g(d).smash.inp (generated)

000000464.b3lyp_6-31g(d).nwchem.inp (generated) 000000464.b3lyp_6-31g(d).log.xz 000000464.td-b3lyp_6-31g+(d).inp 000000464.td-b3lyp_6-31g+(d).log.xz

000000464.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000464.td-b3lyp_6-31+g(d).gjf (generated)

000000464.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000464.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000464.mol 000000464.PUBCHEM 000000464.mol (via Jmol)
000000465.b3lyp_6-31g(d).inp

000000465.b3lyp_6-31g(d).qchem.inp (generated)

000000465.b3lyp_6-31g(d).gjf (generated)

000000465.b3lyp_6-31g(d).firefly.inp (generated)

000000465.b3lyp_6-31g(d).smash.inp (generated)

000000465.b3lyp_6-31g(d).nwchem.inp (generated) 000000465.b3lyp_6-31g(d).log.xz 000000465.td-b3lyp_6-31g+(d).inp 000000465.td-b3lyp_6-31g+(d).log.xz

000000465.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000465.td-b3lyp_6-31+g(d).gjf (generated)

000000465.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000465.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000465.mol 000000465.PUBCHEM 000000465.mol (via Jmol)
000000466.b3lyp_6-31g(d).inp

000000466.b3lyp_6-31g(d).qchem.inp (generated)

000000466.b3lyp_6-31g(d).gjf (generated)

000000466.b3lyp_6-31g(d).firefly.inp (generated)

000000466.b3lyp_6-31g(d).smash.inp (generated)

000000466.b3lyp_6-31g(d).nwchem.inp (generated) 000000466.b3lyp_6-31g(d).log.xz 000000466.td-b3lyp_6-31g+(d).inp 000000466.td-b3lyp_6-31g+(d).log.xz

000000466.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000466.td-b3lyp_6-31+g(d).gjf (generated)

000000466.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000466.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000466.mol 000000466.PUBCHEM 000000466.mol (via Jmol)
000000469.b3lyp_6-31g(d).inp

000000469.b3lyp_6-31g(d).qchem.inp (generated)

000000469.b3lyp_6-31g(d).gjf (generated)

000000469.b3lyp_6-31g(d).firefly.inp (generated)

000000469.b3lyp_6-31g(d).smash.inp (generated)

000000469.b3lyp_6-31g(d).nwchem.inp (generated) 000000469.b3lyp_6-31g(d).log.xz 000000469.td-b3lyp_6-31g+(d).inp 000000469.td-b3lyp_6-31g+(d).log.xz

000000469.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000469.td-b3lyp_6-31+g(d).gjf (generated)

000000469.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000469.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000469.mol 000000469.PUBCHEM 000000469.mol (via Jmol)
000000470.b3lyp_6-31g(d).inp

000000470.b3lyp_6-31g(d).qchem.inp (generated)

000000470.b3lyp_6-31g(d).gjf (generated)

000000470.b3lyp_6-31g(d).firefly.inp (generated)

000000470.b3lyp_6-31g(d).smash.inp (generated)

000000470.b3lyp_6-31g(d).nwchem.inp (generated) 000000470.b3lyp_6-31g(d).log.xz 000000470.td-b3lyp_6-31g+(d).inp 000000470.td-b3lyp_6-31g+(d).log.xz

000000470.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000470.td-b3lyp_6-31+g(d).gjf (generated)

000000470.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000470.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000470.mol 000000470.PUBCHEM 000000470.mol (via Jmol)
000000471.b3lyp_6-31g(d).inp

000000471.b3lyp_6-31g(d).qchem.inp (generated)

000000471.b3lyp_6-31g(d).gjf (generated)

000000471.b3lyp_6-31g(d).firefly.inp (generated)

000000471.b3lyp_6-31g(d).smash.inp (generated)

000000471.b3lyp_6-31g(d).nwchem.inp (generated) 000000471.b3lyp_6-31g(d).log.xz 000000471.td-b3lyp_6-31g+(d).inp 000000471.td-b3lyp_6-31g+(d).log.xz

000000471.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000471.td-b3lyp_6-31+g(d).gjf (generated)

000000471.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000471.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000471.mol 000000471.PUBCHEM 000000471.mol (via Jmol)
000000472.b3lyp_6-31g(d).inp

000000472.b3lyp_6-31g(d).qchem.inp (generated)

000000472.b3lyp_6-31g(d).gjf (generated)

000000472.b3lyp_6-31g(d).firefly.inp (generated)

000000472.b3lyp_6-31g(d).smash.inp (generated)

000000472.b3lyp_6-31g(d).nwchem.inp (generated) 000000472.b3lyp_6-31g(d).log.xz 000000472.td-b3lyp_6-31g+(d).inp 000000472.td-b3lyp_6-31g+(d).log.xz

000000472.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000472.td-b3lyp_6-31+g(d).gjf (generated)

000000472.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000472.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000472.mol 000000472.PUBCHEM 000000472.mol (via Jmol)
000000473.b3lyp_6-31g(d).inp

000000473.b3lyp_6-31g(d).qchem.inp (generated)

000000473.b3lyp_6-31g(d).gjf (generated)

000000473.b3lyp_6-31g(d).firefly.inp (generated)

000000473.b3lyp_6-31g(d).smash.inp (generated)

000000473.b3lyp_6-31g(d).nwchem.inp (generated) 000000473.b3lyp_6-31g(d).log.xz 000000473.td-b3lyp_6-31g+(d).inp 000000473.td-b3lyp_6-31g+(d).log.xz

000000473.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000473.td-b3lyp_6-31+g(d).gjf (generated)

000000473.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000473.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000473.mol 000000473.PUBCHEM 000000473.mol (via Jmol)
000000474.b3lyp_6-31g(d).inp

000000474.b3lyp_6-31g(d).qchem.inp (generated)

000000474.b3lyp_6-31g(d).gjf (generated)

000000474.b3lyp_6-31g(d).firefly.inp (generated)

000000474.b3lyp_6-31g(d).smash.inp (generated)

000000474.b3lyp_6-31g(d).nwchem.inp (generated) 000000474.b3lyp_6-31g(d).log.xz 000000474.td-b3lyp_6-31g+(d).inp 000000474.td-b3lyp_6-31g+(d).log.xz

000000474.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000474.td-b3lyp_6-31+g(d).gjf (generated)

000000474.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000474.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000474.mol 000000474.PUBCHEM 000000474.mol (via Jmol)
000000475.b3lyp_6-31g(d).inp

000000475.b3lyp_6-31g(d).qchem.inp (generated)

000000475.b3lyp_6-31g(d).gjf (generated)

000000475.b3lyp_6-31g(d).firefly.inp (generated)

000000475.b3lyp_6-31g(d).smash.inp (generated)

000000475.b3lyp_6-31g(d).nwchem.inp (generated) 000000475.b3lyp_6-31g(d).log.xz 000000475.td-b3lyp_6-31g+(d).inp 000000475.td-b3lyp_6-31g+(d).log.xz

000000475.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000475.td-b3lyp_6-31+g(d).gjf (generated)

000000475.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000475.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000475.mol 000000475.PUBCHEM 000000475.mol (via Jmol)
000000476.b3lyp_6-31g(d).inp

000000476.b3lyp_6-31g(d).qchem.inp (generated)

000000476.b3lyp_6-31g(d).gjf (generated)

000000476.b3lyp_6-31g(d).firefly.inp (generated)

000000476.b3lyp_6-31g(d).smash.inp (generated)

000000476.b3lyp_6-31g(d).nwchem.inp (generated) 000000476.b3lyp_6-31g(d).log.xz 000000476.td-b3lyp_6-31g+(d).inp 000000476.td-b3lyp_6-31g+(d).log.xz

000000476.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000476.td-b3lyp_6-31+g(d).gjf (generated)

000000476.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000476.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000476.mol 000000476.PUBCHEM 000000476.mol (via Jmol)
000000479.b3lyp_6-31g(d).inp

000000479.b3lyp_6-31g(d).qchem.inp (generated)

000000479.b3lyp_6-31g(d).gjf (generated)

000000479.b3lyp_6-31g(d).firefly.inp (generated)

000000479.b3lyp_6-31g(d).smash.inp (generated)

000000479.b3lyp_6-31g(d).nwchem.inp (generated) 000000479.b3lyp_6-31g(d).log.xz 000000479.td-b3lyp_6-31g+(d).inp 000000479.td-b3lyp_6-31g+(d).log.xz

000000479.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000479.td-b3lyp_6-31+g(d).gjf (generated)

000000479.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000479.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000479.mol 000000479.PUBCHEM 000000479.mol (via Jmol)
000000481.b3lyp_6-31g(d).inp

000000481.b3lyp_6-31g(d).qchem.inp (generated)

000000481.b3lyp_6-31g(d).gjf (generated)

000000481.b3lyp_6-31g(d).firefly.inp (generated)

000000481.b3lyp_6-31g(d).smash.inp (generated)

000000481.b3lyp_6-31g(d).nwchem.inp (generated) 000000481.b3lyp_6-31g(d).log.xz 000000481.td-b3lyp_6-31g+(d).inp 000000481.td-b3lyp_6-31g+(d).log.xz

000000481.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000481.td-b3lyp_6-31+g(d).gjf (generated)

000000481.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000481.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000481.mol 000000481.PUBCHEM 000000481.mol (via Jmol)
000000483.b3lyp_6-31g(d).inp

000000483.b3lyp_6-31g(d).qchem.inp (generated)

000000483.b3lyp_6-31g(d).gjf (generated)

000000483.b3lyp_6-31g(d).firefly.inp (generated)

000000483.b3lyp_6-31g(d).smash.inp (generated)

000000483.b3lyp_6-31g(d).nwchem.inp (generated) 000000483.b3lyp_6-31g(d).log.xz 000000483.td-b3lyp_6-31g+(d).inp 000000483.td-b3lyp_6-31g+(d).log.xz

000000483.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000483.td-b3lyp_6-31+g(d).gjf (generated)

000000483.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000483.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000483.mol 000000483.PUBCHEM 000000483.mol (via Jmol)
000000484.b3lyp_6-31g(d).inp

000000484.b3lyp_6-31g(d).qchem.inp (generated)

000000484.b3lyp_6-31g(d).gjf (generated)

000000484.b3lyp_6-31g(d).firefly.inp (generated)

000000484.b3lyp_6-31g(d).smash.inp (generated)

000000484.b3lyp_6-31g(d).nwchem.inp (generated) 000000484.b3lyp_6-31g(d).log.xz 000000484.td-b3lyp_6-31g+(d).inp 000000484.td-b3lyp_6-31g+(d).log.xz

000000484.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000484.td-b3lyp_6-31+g(d).gjf (generated)

000000484.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000484.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000484.mol 000000484.PUBCHEM 000000484.mol (via Jmol)
000000485.b3lyp_6-31g(d).inp

000000485.b3lyp_6-31g(d).qchem.inp (generated)

000000485.b3lyp_6-31g(d).gjf (generated)

000000485.b3lyp_6-31g(d).firefly.inp (generated)

000000485.b3lyp_6-31g(d).smash.inp (generated)

000000485.b3lyp_6-31g(d).nwchem.inp (generated) 000000485.b3lyp_6-31g(d).log.xz 000000485.td-b3lyp_6-31g+(d).inp 000000485.td-b3lyp_6-31g+(d).log.xz

000000485.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000485.td-b3lyp_6-31+g(d).gjf (generated)

000000485.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000485.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000485.mol 000000485.PUBCHEM 000000485.mol (via Jmol)
000000486.b3lyp_6-31g(d).inp

000000486.b3lyp_6-31g(d).qchem.inp (generated)

000000486.b3lyp_6-31g(d).gjf (generated)

000000486.b3lyp_6-31g(d).firefly.inp (generated)

000000486.b3lyp_6-31g(d).smash.inp (generated)

000000486.b3lyp_6-31g(d).nwchem.inp (generated) 000000486.b3lyp_6-31g(d).log.xz 000000486.td-b3lyp_6-31g+(d).inp 000000486.td-b3lyp_6-31g+(d).log.xz

000000486.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000486.td-b3lyp_6-31+g(d).gjf (generated)

000000486.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000486.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000486.mol 000000486.PUBCHEM 000000486.mol (via Jmol)
000000487.b3lyp_6-31g(d).inp

000000487.b3lyp_6-31g(d).qchem.inp (generated)

000000487.b3lyp_6-31g(d).gjf (generated)

000000487.b3lyp_6-31g(d).firefly.inp (generated)

000000487.b3lyp_6-31g(d).smash.inp (generated)

000000487.b3lyp_6-31g(d).nwchem.inp (generated) 000000487.b3lyp_6-31g(d).log.xz 000000487.td-b3lyp_6-31g+(d).inp 000000487.td-b3lyp_6-31g+(d).log.xz

000000487.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000487.td-b3lyp_6-31+g(d).gjf (generated)

000000487.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000487.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000487.mol 000000487.PUBCHEM 000000487.mol (via Jmol)
000000488.b3lyp_6-31g(d).inp

000000488.b3lyp_6-31g(d).qchem.inp (generated)

000000488.b3lyp_6-31g(d).gjf (generated)

000000488.b3lyp_6-31g(d).firefly.inp (generated)

000000488.b3lyp_6-31g(d).smash.inp (generated)

000000488.b3lyp_6-31g(d).nwchem.inp (generated) 000000488.b3lyp_6-31g(d).log.xz 000000488.td-b3lyp_6-31g+(d).inp 000000488.td-b3lyp_6-31g+(d).log.xz

000000488.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000488.td-b3lyp_6-31+g(d).gjf (generated)

000000488.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000488.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000488.mol 000000488.PUBCHEM 000000488.mol (via Jmol)
000000490.b3lyp_6-31g(d).inp

000000490.b3lyp_6-31g(d).qchem.inp (generated)

000000490.b3lyp_6-31g(d).gjf (generated)

000000490.b3lyp_6-31g(d).firefly.inp (generated)

000000490.b3lyp_6-31g(d).smash.inp (generated)

000000490.b3lyp_6-31g(d).nwchem.inp (generated) 000000490.b3lyp_6-31g(d).log.xz 000000490.td-b3lyp_6-31g+(d).inp 000000490.td-b3lyp_6-31g+(d).log.xz

000000490.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000490.td-b3lyp_6-31+g(d).gjf (generated)

000000490.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000490.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000490.mol 000000490.PUBCHEM 000000490.mol (via Jmol)
000000491.b3lyp_6-31g(d).inp

000000491.b3lyp_6-31g(d).qchem.inp (generated)

000000491.b3lyp_6-31g(d).gjf (generated)

000000491.b3lyp_6-31g(d).firefly.inp (generated)

000000491.b3lyp_6-31g(d).smash.inp (generated)

000000491.b3lyp_6-31g(d).nwchem.inp (generated) 000000491.b3lyp_6-31g(d).log.xz 000000491.td-b3lyp_6-31g+(d).inp 000000491.td-b3lyp_6-31g+(d).log.xz

000000491.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000491.td-b3lyp_6-31+g(d).gjf (generated)

000000491.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000491.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000491.mol 000000491.PUBCHEM 000000491.mol (via Jmol)
000000494.b3lyp_6-31g(d).inp

000000494.b3lyp_6-31g(d).qchem.inp (generated)

000000494.b3lyp_6-31g(d).gjf (generated)

000000494.b3lyp_6-31g(d).firefly.inp (generated)

000000494.b3lyp_6-31g(d).smash.inp (generated)

000000494.b3lyp_6-31g(d).nwchem.inp (generated) 000000494.b3lyp_6-31g(d).log.xz 000000494.td-b3lyp_6-31g+(d).inp 000000494.td-b3lyp_6-31g+(d).log.xz

000000494.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000494.td-b3lyp_6-31+g(d).gjf (generated)

000000494.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000494.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000494.mol 000000494.PUBCHEM 000000494.mol (via Jmol)
000000495.b3lyp_6-31g(d).inp

000000495.b3lyp_6-31g(d).qchem.inp (generated)

000000495.b3lyp_6-31g(d).gjf (generated)

000000495.b3lyp_6-31g(d).firefly.inp (generated)

000000495.b3lyp_6-31g(d).smash.inp (generated)

000000495.b3lyp_6-31g(d).nwchem.inp (generated) 000000495.b3lyp_6-31g(d).log.xz 000000495.td-b3lyp_6-31g+(d).inp 000000495.td-b3lyp_6-31g+(d).log.xz

000000495.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000495.td-b3lyp_6-31+g(d).gjf (generated)

000000495.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000495.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000495.mol 000000495.PUBCHEM 000000495.mol (via Jmol)
000000496.b3lyp_6-31g(d).inp

000000496.b3lyp_6-31g(d).qchem.inp (generated)

000000496.b3lyp_6-31g(d).gjf (generated)

000000496.b3lyp_6-31g(d).firefly.inp (generated)

000000496.b3lyp_6-31g(d).smash.inp (generated)

000000496.b3lyp_6-31g(d).nwchem.inp (generated) 000000496.b3lyp_6-31g(d).log.xz 000000496.td-b3lyp_6-31g+(d).inp 000000496.td-b3lyp_6-31g+(d).log.xz

000000496.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000496.td-b3lyp_6-31+g(d).gjf (generated)

000000496.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000496.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000496.mol 000000496.PUBCHEM 000000496.mol (via Jmol)
000000497.b3lyp_6-31g(d).inp

000000497.b3lyp_6-31g(d).qchem.inp (generated)

000000497.b3lyp_6-31g(d).gjf (generated)

000000497.b3lyp_6-31g(d).firefly.inp (generated)

000000497.b3lyp_6-31g(d).smash.inp (generated)

000000497.b3lyp_6-31g(d).nwchem.inp (generated) 000000497.b3lyp_6-31g(d).log.xz 000000497.td-b3lyp_6-31g+(d).inp 000000497.td-b3lyp_6-31g+(d).log.xz

000000497.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000497.td-b3lyp_6-31+g(d).gjf (generated)

000000497.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000497.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000497.mol 000000497.PUBCHEM 000000497.mol (via Jmol)
000000499.b3lyp_6-31g(d).inp

000000499.b3lyp_6-31g(d).qchem.inp (generated)

000000499.b3lyp_6-31g(d).gjf (generated)

000000499.b3lyp_6-31g(d).firefly.inp (generated)

000000499.b3lyp_6-31g(d).smash.inp (generated)

000000499.b3lyp_6-31g(d).nwchem.inp (generated) 000000499.b3lyp_6-31g(d).log.xz 000000499.td-b3lyp_6-31g+(d).inp 000000499.td-b3lyp_6-31g+(d).log.xz

000000499.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000499.td-b3lyp_6-31+g(d).gjf (generated)

000000499.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000499.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000499.mol 000000499.PUBCHEM 000000499.mol (via Jmol)
000000500.b3lyp_6-31g(d).inp

000000500.b3lyp_6-31g(d).qchem.inp (generated)

000000500.b3lyp_6-31g(d).gjf (generated)

000000500.b3lyp_6-31g(d).firefly.inp (generated)

000000500.b3lyp_6-31g(d).smash.inp (generated)

000000500.b3lyp_6-31g(d).nwchem.inp (generated) 000000500.b3lyp_6-31g(d).log.xz 000000500.td-b3lyp_6-31g+(d).inp 000000500.td-b3lyp_6-31g+(d).log.xz

000000500.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000500.td-b3lyp_6-31+g(d).gjf (generated)

000000500.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000500.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000500.mol 000000500.PUBCHEM 000000500.mol (via Jmol)
000000501.b3lyp_6-31g(d).inp

000000501.b3lyp_6-31g(d).qchem.inp (generated)

000000501.b3lyp_6-31g(d).gjf (generated)

000000501.b3lyp_6-31g(d).firefly.inp (generated)

000000501.b3lyp_6-31g(d).smash.inp (generated)

000000501.b3lyp_6-31g(d).nwchem.inp (generated) 000000501.b3lyp_6-31g(d).log.xz 000000501.td-b3lyp_6-31g+(d).inp 000000501.td-b3lyp_6-31g+(d).log.xz

000000501.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000501.td-b3lyp_6-31+g(d).gjf (generated)

000000501.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000501.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000501.mol 000000501.PUBCHEM 000000501.mol (via Jmol)
000000502.b3lyp_6-31g(d).inp

000000502.b3lyp_6-31g(d).qchem.inp (generated)

000000502.b3lyp_6-31g(d).gjf (generated)

000000502.b3lyp_6-31g(d).firefly.inp (generated)

000000502.b3lyp_6-31g(d).smash.inp (generated)

000000502.b3lyp_6-31g(d).nwchem.inp (generated) 000000502.b3lyp_6-31g(d).log.xz 000000502.td-b3lyp_6-31g+(d).inp 000000502.td-b3lyp_6-31g+(d).log.xz

000000502.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000502.td-b3lyp_6-31+g(d).gjf (generated)

000000502.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000502.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000502.mol 000000502.PUBCHEM 000000502.mol (via Jmol)
000000503.b3lyp_6-31g(d).inp

000000503.b3lyp_6-31g(d).qchem.inp (generated)

000000503.b3lyp_6-31g(d).gjf (generated)

000000503.b3lyp_6-31g(d).firefly.inp (generated)

000000503.b3lyp_6-31g(d).smash.inp (generated)

000000503.b3lyp_6-31g(d).nwchem.inp (generated) 000000503.b3lyp_6-31g(d).log.xz 000000503.td-b3lyp_6-31g+(d).inp 000000503.td-b3lyp_6-31g+(d).log.xz

000000503.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000503.td-b3lyp_6-31+g(d).gjf (generated)

000000503.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000503.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000503.mol 000000503.PUBCHEM 000000503.mol (via Jmol)
000000504.b3lyp_6-31g(d).inp

000000504.b3lyp_6-31g(d).qchem.inp (generated)

000000504.b3lyp_6-31g(d).gjf (generated)

000000504.b3lyp_6-31g(d).firefly.inp (generated)

000000504.b3lyp_6-31g(d).smash.inp (generated)

000000504.b3lyp_6-31g(d).nwchem.inp (generated) 000000504.b3lyp_6-31g(d).log.xz 000000504.td-b3lyp_6-31g+(d).inp 000000504.td-b3lyp_6-31g+(d).log.xz

000000504.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000504.td-b3lyp_6-31+g(d).gjf (generated)

000000504.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000504.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000504.mol 000000504.PUBCHEM 000000504.mol (via Jmol)
000000505.b3lyp_6-31g(d).inp

000000505.b3lyp_6-31g(d).qchem.inp (generated)

000000505.b3lyp_6-31g(d).gjf (generated)

000000505.b3lyp_6-31g(d).firefly.inp (generated)

000000505.b3lyp_6-31g(d).smash.inp (generated)

000000505.b3lyp_6-31g(d).nwchem.inp (generated) 000000505.b3lyp_6-31g(d).log.xz 000000505.td-b3lyp_6-31g+(d).inp 000000505.td-b3lyp_6-31g+(d).log.xz

000000505.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000505.td-b3lyp_6-31+g(d).gjf (generated)

000000505.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000505.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000505.mol 000000505.PUBCHEM 000000505.mol (via Jmol)
000000507.b3lyp_6-31g(d).inp

000000507.b3lyp_6-31g(d).qchem.inp (generated)

000000507.b3lyp_6-31g(d).gjf (generated)

000000507.b3lyp_6-31g(d).firefly.inp (generated)

000000507.b3lyp_6-31g(d).smash.inp (generated)

000000507.b3lyp_6-31g(d).nwchem.inp (generated) 000000507.b3lyp_6-31g(d).log.xz 000000507.td-b3lyp_6-31g+(d).inp 000000507.td-b3lyp_6-31g+(d).log.xz

000000507.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000507.td-b3lyp_6-31+g(d).gjf (generated)

000000507.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000507.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000507.mol 000000507.PUBCHEM 000000507.mol (via Jmol)
000000510.b3lyp_6-31g(d).inp

000000510.b3lyp_6-31g(d).qchem.inp (generated)

000000510.b3lyp_6-31g(d).gjf (generated)

000000510.b3lyp_6-31g(d).firefly.inp (generated)

000000510.b3lyp_6-31g(d).smash.inp (generated)

000000510.b3lyp_6-31g(d).nwchem.inp (generated) 000000510.b3lyp_6-31g(d).log.xz 000000510.td-b3lyp_6-31g+(d).inp 000000510.td-b3lyp_6-31g+(d).log.xz

000000510.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000510.td-b3lyp_6-31+g(d).gjf (generated)

000000510.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000510.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000510.mol 000000510.PUBCHEM 000000510.mol (via Jmol)
000000512.b3lyp_6-31g(d).inp

000000512.b3lyp_6-31g(d).qchem.inp (generated)

000000512.b3lyp_6-31g(d).gjf (generated)

000000512.b3lyp_6-31g(d).firefly.inp (generated)

000000512.b3lyp_6-31g(d).smash.inp (generated)

000000512.b3lyp_6-31g(d).nwchem.inp (generated) 000000512.b3lyp_6-31g(d).log.xz 000000512.td-b3lyp_6-31g+(d).inp 000000512.td-b3lyp_6-31g+(d).log.xz

000000512.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000512.td-b3lyp_6-31+g(d).gjf (generated)

000000512.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000512.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000512.mol 000000512.PUBCHEM 000000512.mol (via Jmol)
000000513.b3lyp_6-31g(d).inp

000000513.b3lyp_6-31g(d).qchem.inp (generated)

000000513.b3lyp_6-31g(d).gjf (generated)

000000513.b3lyp_6-31g(d).firefly.inp (generated)

000000513.b3lyp_6-31g(d).smash.inp (generated)

000000513.b3lyp_6-31g(d).nwchem.inp (generated) 000000513.b3lyp_6-31g(d).log.xz 000000513.td-b3lyp_6-31g+(d).inp 000000513.td-b3lyp_6-31g+(d).log.xz

000000513.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000513.td-b3lyp_6-31+g(d).gjf (generated)

000000513.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000513.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000513.mol 000000513.PUBCHEM 000000513.mol (via Jmol)
000000514.b3lyp_6-31g(d).inp

000000514.b3lyp_6-31g(d).qchem.inp (generated)

000000514.b3lyp_6-31g(d).gjf (generated)

000000514.b3lyp_6-31g(d).firefly.inp (generated)

000000514.b3lyp_6-31g(d).smash.inp (generated)

000000514.b3lyp_6-31g(d).nwchem.inp (generated) 000000514.b3lyp_6-31g(d).log.xz 000000514.td-b3lyp_6-31g+(d).inp 000000514.td-b3lyp_6-31g+(d).log.xz

000000514.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000514.td-b3lyp_6-31+g(d).gjf (generated)

000000514.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000514.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000514.mol 000000514.PUBCHEM 000000514.mol (via Jmol)
000000515.b3lyp_6-31g(d).inp

000000515.b3lyp_6-31g(d).qchem.inp (generated)

000000515.b3lyp_6-31g(d).gjf (generated)

000000515.b3lyp_6-31g(d).firefly.inp (generated)

000000515.b3lyp_6-31g(d).smash.inp (generated)

000000515.b3lyp_6-31g(d).nwchem.inp (generated) 000000515.b3lyp_6-31g(d).log.xz 000000515.td-b3lyp_6-31g+(d).inp 000000515.td-b3lyp_6-31g+(d).log.xz

000000515.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000515.td-b3lyp_6-31+g(d).gjf (generated)

000000515.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000515.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000515.mol 000000515.PUBCHEM 000000515.mol (via Jmol)
000000516.b3lyp_6-31g(d).inp

000000516.b3lyp_6-31g(d).qchem.inp (generated)

000000516.b3lyp_6-31g(d).gjf (generated)

000000516.b3lyp_6-31g(d).firefly.inp (generated)

000000516.b3lyp_6-31g(d).smash.inp (generated)

000000516.b3lyp_6-31g(d).nwchem.inp (generated) 000000516.b3lyp_6-31g(d).log.xz 000000516.td-b3lyp_6-31g+(d).inp 000000516.td-b3lyp_6-31g+(d).log.xz

000000516.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000516.td-b3lyp_6-31+g(d).gjf (generated)

000000516.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000516.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000516.mol 000000516.PUBCHEM 000000516.mol (via Jmol)
000000519.b3lyp_6-31g(d).inp

000000519.b3lyp_6-31g(d).qchem.inp (generated)

000000519.b3lyp_6-31g(d).gjf (generated)

000000519.b3lyp_6-31g(d).firefly.inp (generated)

000000519.b3lyp_6-31g(d).smash.inp (generated)

000000519.b3lyp_6-31g(d).nwchem.inp (generated) 000000519.b3lyp_6-31g(d).log.xz 000000519.td-b3lyp_6-31g+(d).inp 000000519.td-b3lyp_6-31g+(d).log.xz

000000519.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000519.td-b3lyp_6-31+g(d).gjf (generated)

000000519.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000519.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000519.mol 000000519.PUBCHEM 000000519.mol (via Jmol)
000000520.b3lyp_6-31g(d).inp

000000520.b3lyp_6-31g(d).qchem.inp (generated)

000000520.b3lyp_6-31g(d).gjf (generated)

000000520.b3lyp_6-31g(d).firefly.inp (generated)

000000520.b3lyp_6-31g(d).smash.inp (generated)

000000520.b3lyp_6-31g(d).nwchem.inp (generated) 000000520.b3lyp_6-31g(d).log.xz 000000520.td-b3lyp_6-31g+(d).inp 000000520.td-b3lyp_6-31g+(d).log.xz

000000520.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000520.td-b3lyp_6-31+g(d).gjf (generated)

000000520.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000520.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000520.mol 000000520.PUBCHEM 000000520.mol (via Jmol)
000000523.b3lyp_6-31g(d).inp

000000523.b3lyp_6-31g(d).qchem.inp (generated)

000000523.b3lyp_6-31g(d).gjf (generated)

000000523.b3lyp_6-31g(d).firefly.inp (generated)

000000523.b3lyp_6-31g(d).smash.inp (generated)

000000523.b3lyp_6-31g(d).nwchem.inp (generated) 000000523.b3lyp_6-31g(d).log.xz 000000523.td-b3lyp_6-31g+(d).inp 000000523.td-b3lyp_6-31g+(d).log.xz

000000523.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000523.td-b3lyp_6-31+g(d).gjf (generated)

000000523.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000523.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000523.mol 000000523.PUBCHEM 000000523.mol (via Jmol)
000000524.b3lyp_6-31g(d).inp

000000524.b3lyp_6-31g(d).qchem.inp (generated)

000000524.b3lyp_6-31g(d).gjf (generated)

000000524.b3lyp_6-31g(d).firefly.inp (generated)

000000524.b3lyp_6-31g(d).smash.inp (generated)

000000524.b3lyp_6-31g(d).nwchem.inp (generated) 000000524.b3lyp_6-31g(d).log.xz 000000524.td-b3lyp_6-31g+(d).inp 000000524.td-b3lyp_6-31g+(d).log.xz

000000524.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000524.td-b3lyp_6-31+g(d).gjf (generated)

000000524.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000524.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000524.mol 000000524.PUBCHEM 000000524.mol (via Jmol)
000000525.b3lyp_6-31g(d).inp

000000525.b3lyp_6-31g(d).qchem.inp (generated)

000000525.b3lyp_6-31g(d).gjf (generated)

000000525.b3lyp_6-31g(d).firefly.inp (generated)

000000525.b3lyp_6-31g(d).smash.inp (generated)

000000525.b3lyp_6-31g(d).nwchem.inp (generated) 000000525.b3lyp_6-31g(d).log.xz 000000525.td-b3lyp_6-31g+(d).inp 000000525.td-b3lyp_6-31g+(d).log.xz

000000525.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000525.td-b3lyp_6-31+g(d).gjf (generated)

000000525.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000525.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000525.mol 000000525.PUBCHEM 000000525.mol (via Jmol)
000000527.b3lyp_6-31g(d).inp

000000527.b3lyp_6-31g(d).qchem.inp (generated)

000000527.b3lyp_6-31g(d).gjf (generated)

000000527.b3lyp_6-31g(d).firefly.inp (generated)

000000527.b3lyp_6-31g(d).smash.inp (generated)

000000527.b3lyp_6-31g(d).nwchem.inp (generated) 000000527.b3lyp_6-31g(d).log.xz 000000527.td-b3lyp_6-31g+(d).inp 000000527.td-b3lyp_6-31g+(d).log.xz

000000527.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000527.td-b3lyp_6-31+g(d).gjf (generated)

000000527.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000527.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000527.mol 000000527.PUBCHEM 000000527.mol (via Jmol)
000000528.b3lyp_6-31g(d).inp

000000528.b3lyp_6-31g(d).qchem.inp (generated)

000000528.b3lyp_6-31g(d).gjf (generated)

000000528.b3lyp_6-31g(d).firefly.inp (generated)

000000528.b3lyp_6-31g(d).smash.inp (generated)

000000528.b3lyp_6-31g(d).nwchem.inp (generated) 000000528.b3lyp_6-31g(d).log.xz 000000528.td-b3lyp_6-31g+(d).inp 000000528.td-b3lyp_6-31g+(d).log.xz

000000528.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000528.td-b3lyp_6-31+g(d).gjf (generated)

000000528.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000528.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000528.mol 000000528.PUBCHEM 000000528.mol (via Jmol)
000000529.b3lyp_6-31g(d).inp

000000529.b3lyp_6-31g(d).qchem.inp (generated)

000000529.b3lyp_6-31g(d).gjf (generated)

000000529.b3lyp_6-31g(d).firefly.inp (generated)

000000529.b3lyp_6-31g(d).smash.inp (generated)

000000529.b3lyp_6-31g(d).nwchem.inp (generated) 000000529.b3lyp_6-31g(d).log.xz 000000529.td-b3lyp_6-31g+(d).inp 000000529.td-b3lyp_6-31g+(d).log.xz

000000529.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000529.td-b3lyp_6-31+g(d).gjf (generated)

000000529.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000529.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000529.mol 000000529.PUBCHEM 000000529.mol (via Jmol)
000000530.b3lyp_6-31g(d).inp

000000530.b3lyp_6-31g(d).qchem.inp (generated)

000000530.b3lyp_6-31g(d).gjf (generated)

000000530.b3lyp_6-31g(d).firefly.inp (generated)

000000530.b3lyp_6-31g(d).smash.inp (generated)

000000530.b3lyp_6-31g(d).nwchem.inp (generated) 000000530.b3lyp_6-31g(d).log.xz 000000530.td-b3lyp_6-31g+(d).inp 000000530.td-b3lyp_6-31g+(d).log.xz

000000530.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000530.td-b3lyp_6-31+g(d).gjf (generated)

000000530.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000530.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000530.mol 000000530.PUBCHEM 000000530.mol (via Jmol)
000000533.b3lyp_6-31g(d).inp

000000533.b3lyp_6-31g(d).qchem.inp (generated)

000000533.b3lyp_6-31g(d).gjf (generated)

000000533.b3lyp_6-31g(d).firefly.inp (generated)

000000533.b3lyp_6-31g(d).smash.inp (generated)

000000533.b3lyp_6-31g(d).nwchem.inp (generated) 000000533.b3lyp_6-31g(d).log.xz 000000533.td-b3lyp_6-31g+(d).inp 000000533.td-b3lyp_6-31g+(d).log.xz

000000533.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000533.td-b3lyp_6-31+g(d).gjf (generated)

000000533.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000533.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000533.mol 000000533.PUBCHEM 000000533.mol (via Jmol)
000000535.b3lyp_6-31g(d).inp

000000535.b3lyp_6-31g(d).qchem.inp (generated)

000000535.b3lyp_6-31g(d).gjf (generated)

000000535.b3lyp_6-31g(d).firefly.inp (generated)

000000535.b3lyp_6-31g(d).smash.inp (generated)

000000535.b3lyp_6-31g(d).nwchem.inp (generated) 000000535.b3lyp_6-31g(d).log.xz 000000535.td-b3lyp_6-31g+(d).inp 000000535.td-b3lyp_6-31g+(d).log.xz

000000535.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000535.td-b3lyp_6-31+g(d).gjf (generated)

000000535.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000535.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000535.mol 000000535.PUBCHEM 000000535.mol (via Jmol)
000000540.b3lyp_6-31g(d).inp

000000540.b3lyp_6-31g(d).qchem.inp (generated)

000000540.b3lyp_6-31g(d).gjf (generated)

000000540.b3lyp_6-31g(d).firefly.inp (generated)

000000540.b3lyp_6-31g(d).smash.inp (generated)

000000540.b3lyp_6-31g(d).nwchem.inp (generated) 000000540.b3lyp_6-31g(d).log.xz 000000540.td-b3lyp_6-31g+(d).inp 000000540.td-b3lyp_6-31g+(d).log.xz

000000540.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000540.td-b3lyp_6-31+g(d).gjf (generated)

000000540.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000540.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000540.mol 000000540.PUBCHEM 000000540.mol (via Jmol)
000000541.b3lyp_6-31g(d).inp

000000541.b3lyp_6-31g(d).qchem.inp (generated)

000000541.b3lyp_6-31g(d).gjf (generated)

000000541.b3lyp_6-31g(d).firefly.inp (generated)

000000541.b3lyp_6-31g(d).smash.inp (generated)

000000541.b3lyp_6-31g(d).nwchem.inp (generated) 000000541.b3lyp_6-31g(d).log.xz 000000541.td-b3lyp_6-31g+(d).inp 000000541.td-b3lyp_6-31g+(d).log.xz

000000541.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000541.td-b3lyp_6-31+g(d).gjf (generated)

000000541.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000541.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000541.mol 000000541.PUBCHEM 000000541.mol (via Jmol)
000000542.b3lyp_6-31g(d).inp

000000542.b3lyp_6-31g(d).qchem.inp (generated)

000000542.b3lyp_6-31g(d).gjf (generated)

000000542.b3lyp_6-31g(d).firefly.inp (generated)

000000542.b3lyp_6-31g(d).smash.inp (generated)

000000542.b3lyp_6-31g(d).nwchem.inp (generated) 000000542.b3lyp_6-31g(d).log.xz 000000542.td-b3lyp_6-31g+(d).inp 000000542.td-b3lyp_6-31g+(d).log.xz

000000542.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000542.td-b3lyp_6-31+g(d).gjf (generated)

000000542.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000542.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000542.mol 000000542.PUBCHEM 000000542.mol (via Jmol)
000000543.b3lyp_6-31g(d).inp

000000543.b3lyp_6-31g(d).qchem.inp (generated)

000000543.b3lyp_6-31g(d).gjf (generated)

000000543.b3lyp_6-31g(d).firefly.inp (generated)

000000543.b3lyp_6-31g(d).smash.inp (generated)

000000543.b3lyp_6-31g(d).nwchem.inp (generated) 000000543.b3lyp_6-31g(d).log.xz 000000543.td-b3lyp_6-31g+(d).inp 000000543.td-b3lyp_6-31g+(d).log.xz

000000543.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000543.td-b3lyp_6-31+g(d).gjf (generated)

000000543.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000543.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000543.mol 000000543.PUBCHEM 000000543.mol (via Jmol)
000000544.b3lyp_6-31g(d).inp

000000544.b3lyp_6-31g(d).qchem.inp (generated)

000000544.b3lyp_6-31g(d).gjf (generated)

000000544.b3lyp_6-31g(d).firefly.inp (generated)

000000544.b3lyp_6-31g(d).smash.inp (generated)

000000544.b3lyp_6-31g(d).nwchem.inp (generated) 000000544.b3lyp_6-31g(d).log.xz 000000544.td-b3lyp_6-31g+(d).inp 000000544.td-b3lyp_6-31g+(d).log.xz

000000544.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000544.td-b3lyp_6-31+g(d).gjf (generated)

000000544.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000544.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000544.mol 000000544.PUBCHEM 000000544.mol (via Jmol)
000000545.b3lyp_6-31g(d).inp

000000545.b3lyp_6-31g(d).qchem.inp (generated)

000000545.b3lyp_6-31g(d).gjf (generated)

000000545.b3lyp_6-31g(d).firefly.inp (generated)

000000545.b3lyp_6-31g(d).smash.inp (generated)

000000545.b3lyp_6-31g(d).nwchem.inp (generated) 000000545.b3lyp_6-31g(d).log.xz 000000545.td-b3lyp_6-31g+(d).inp 000000545.td-b3lyp_6-31g+(d).log.xz

000000545.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000545.td-b3lyp_6-31+g(d).gjf (generated)

000000545.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000545.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000545.mol 000000545.PUBCHEM 000000545.mol (via Jmol)
000000546.b3lyp_6-31g(d).inp

000000546.b3lyp_6-31g(d).qchem.inp (generated)

000000546.b3lyp_6-31g(d).gjf (generated)

000000546.b3lyp_6-31g(d).firefly.inp (generated)

000000546.b3lyp_6-31g(d).smash.inp (generated)

000000546.b3lyp_6-31g(d).nwchem.inp (generated) 000000546.b3lyp_6-31g(d).log.xz 000000546.td-b3lyp_6-31g+(d).inp 000000546.td-b3lyp_6-31g+(d).log.xz

000000546.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000546.td-b3lyp_6-31+g(d).gjf (generated)

000000546.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000546.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000546.mol 000000546.PUBCHEM 000000546.mol (via Jmol)
000000547.b3lyp_6-31g(d).inp

000000547.b3lyp_6-31g(d).qchem.inp (generated)

000000547.b3lyp_6-31g(d).gjf (generated)

000000547.b3lyp_6-31g(d).firefly.inp (generated)

000000547.b3lyp_6-31g(d).smash.inp (generated)

000000547.b3lyp_6-31g(d).nwchem.inp (generated) 000000547.b3lyp_6-31g(d).log.xz 000000547.td-b3lyp_6-31g+(d).inp 000000547.td-b3lyp_6-31g+(d).log.xz

000000547.td-b3lyp_6-31+g(d).qchem.inp (generated)

000000547.td-b3lyp_6-31+g(d).gjf (generated)

000000547.td-b3lyp_6-31+g(d).firefly.inp (generated)

000000547.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000000547.mol 000000547.PUBCHEM 000000547.mol (via Jmol)
000000548.b3lyp_6-31g(d).inp

000000548.b3lyp_6-31g(d).qchem.inp (generated)

000000548.b3lyp_6-31g(d).gjf (generated)

000000548.b3lyp_6-31g(d).firefly.inp (generated)

000000548.b3lyp_6-31g(d).smash.inp (generated)

000000548.b3lyp_6-31g(d).nwchem.inp