Index of

Last updated : Thu Apr 27 02:27:22 JST 2017
Total : 249 (207) in this page
051000000.b3lyp_6-31g(d).inp

051000000.b3lyp_6-31g(d).qchem.inp (generated)

051000000.b3lyp_6-31g(d).gjf (generated)

051000000.b3lyp_6-31g(d).firefly.inp (generated)

051000000.b3lyp_6-31g(d).smash.inp (generated)

051000000.b3lyp_6-31g(d).nwchem.inp (generated) 051000000.b3lyp_6-31g(d).log.xz 051000000.td-b3lyp_6-31g+(d).inp 051000000.td-b3lyp_6-31g+(d).log.xz

051000000.td-b3lyp_6-31+g(d).qchem.inp (generated)

051000000.td-b3lyp_6-31+g(d).gjf (generated)

051000000.td-b3lyp_6-31+g(d).firefly.inp (generated)

051000000.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051000000.mol 051000000.PUBCHEM 051000000.mol (via Jmol)
051000003.b3lyp_6-31g(d).inp

051000003.b3lyp_6-31g(d).qchem.inp (generated)

051000003.b3lyp_6-31g(d).gjf (generated)

051000003.b3lyp_6-31g(d).firefly.inp (generated)

051000003.b3lyp_6-31g(d).smash.inp (generated)

051000003.b3lyp_6-31g(d).nwchem.inp (generated) 051000003.b3lyp_6-31g(d).log.xz 051000003.mol 051000003.PUBCHEM 051000003.mol (via Jmol)
051000006.b3lyp_6-31g(d).inp

051000006.b3lyp_6-31g(d).qchem.inp (generated)

051000006.b3lyp_6-31g(d).gjf (generated)

051000006.b3lyp_6-31g(d).firefly.inp (generated)

051000006.b3lyp_6-31g(d).smash.inp (generated)

051000006.b3lyp_6-31g(d).nwchem.inp (generated) 051000006.b3lyp_6-31g(d).log.xz 051000006.td-b3lyp_6-31g+(d).inp 051000006.td-b3lyp_6-31g+(d).log.xz

051000006.td-b3lyp_6-31+g(d).qchem.inp (generated)

051000006.td-b3lyp_6-31+g(d).gjf (generated)

051000006.td-b3lyp_6-31+g(d).firefly.inp (generated)

051000006.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051000006.mol 051000006.PUBCHEM 051000006.mol (via Jmol)
051000007.b3lyp_6-31g(d).inp

051000007.b3lyp_6-31g(d).qchem.inp (generated)

051000007.b3lyp_6-31g(d).gjf (generated)

051000007.b3lyp_6-31g(d).firefly.inp (generated)

051000007.b3lyp_6-31g(d).smash.inp (generated)

051000007.b3lyp_6-31g(d).nwchem.inp (generated) 051000007.b3lyp_6-31g(d).log.xz 051000007.td-b3lyp_6-31g+(d).inp 051000007.td-b3lyp_6-31g+(d).log.xz

051000007.td-b3lyp_6-31+g(d).qchem.inp (generated)

051000007.td-b3lyp_6-31+g(d).gjf (generated)

051000007.td-b3lyp_6-31+g(d).firefly.inp (generated)

051000007.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051000007.mol 051000007.PUBCHEM 051000007.mol (via Jmol)
051000008.b3lyp_6-31g(d).inp

051000008.b3lyp_6-31g(d).qchem.inp (generated)

051000008.b3lyp_6-31g(d).gjf (generated)

051000008.b3lyp_6-31g(d).firefly.inp (generated)

051000008.b3lyp_6-31g(d).smash.inp (generated)

051000008.b3lyp_6-31g(d).nwchem.inp (generated) 051000008.b3lyp_6-31g(d).log.xz 051000008.mol 051000008.PUBCHEM 051000008.mol (via Jmol)
051000009.b3lyp_6-31g(d).inp

051000009.b3lyp_6-31g(d).qchem.inp (generated)

051000009.b3lyp_6-31g(d).gjf (generated)

051000009.b3lyp_6-31g(d).firefly.inp (generated)

051000009.b3lyp_6-31g(d).smash.inp (generated)

051000009.b3lyp_6-31g(d).nwchem.inp (generated) 051000009.b3lyp_6-31g(d).log.xz 051000009.td-b3lyp_6-31g+(d).inp 051000009.td-b3lyp_6-31g+(d).log.xz

051000009.td-b3lyp_6-31+g(d).qchem.inp (generated)

051000009.td-b3lyp_6-31+g(d).gjf (generated)

051000009.td-b3lyp_6-31+g(d).firefly.inp (generated)

051000009.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051000009.mol 051000009.PUBCHEM 051000009.mol (via Jmol)
051000010.b3lyp_6-31g(d).inp

051000010.b3lyp_6-31g(d).qchem.inp (generated)

051000010.b3lyp_6-31g(d).gjf (generated)

051000010.b3lyp_6-31g(d).firefly.inp (generated)

051000010.b3lyp_6-31g(d).smash.inp (generated)

051000010.b3lyp_6-31g(d).nwchem.inp (generated) 051000010.b3lyp_6-31g(d).log.xz 051000010.mol 051000010.PUBCHEM 051000010.mol (via Jmol)
051000011.b3lyp_6-31g(d).inp

051000011.b3lyp_6-31g(d).qchem.inp (generated)

051000011.b3lyp_6-31g(d).gjf (generated)

051000011.b3lyp_6-31g(d).firefly.inp (generated)

051000011.b3lyp_6-31g(d).smash.inp (generated)

051000011.b3lyp_6-31g(d).nwchem.inp (generated) 051000011.b3lyp_6-31g(d).log.xz 051000011.td-b3lyp_6-31g+(d).inp 051000011.td-b3lyp_6-31g+(d).log.xz

051000011.td-b3lyp_6-31+g(d).qchem.inp (generated)

051000011.td-b3lyp_6-31+g(d).gjf (generated)

051000011.td-b3lyp_6-31+g(d).firefly.inp (generated)

051000011.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051000011.mol 051000011.PUBCHEM 051000011.mol (via Jmol)
051000012.b3lyp_6-31g(d).inp

051000012.b3lyp_6-31g(d).qchem.inp (generated)

051000012.b3lyp_6-31g(d).gjf (generated)

051000012.b3lyp_6-31g(d).firefly.inp (generated)

051000012.b3lyp_6-31g(d).smash.inp (generated)

051000012.b3lyp_6-31g(d).nwchem.inp (generated) 051000012.b3lyp_6-31g(d).log.xz 051000012.td-b3lyp_6-31g+(d).inp 051000012.td-b3lyp_6-31g+(d).log.xz

051000012.td-b3lyp_6-31+g(d).qchem.inp (generated)

051000012.td-b3lyp_6-31+g(d).gjf (generated)

051000012.td-b3lyp_6-31+g(d).firefly.inp (generated)

051000012.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051000012.mol 051000012.PUBCHEM 051000012.mol (via Jmol)
051000014.b3lyp_6-31g(d).inp

051000014.b3lyp_6-31g(d).qchem.inp (generated)

051000014.b3lyp_6-31g(d).gjf (generated)

051000014.b3lyp_6-31g(d).firefly.inp (generated)

051000014.b3lyp_6-31g(d).smash.inp (generated)

051000014.b3lyp_6-31g(d).nwchem.inp (generated) 051000014.b3lyp_6-31g(d).log.xz 051000014.td-b3lyp_6-31g+(d).inp 051000014.td-b3lyp_6-31g+(d).log.xz

051000014.td-b3lyp_6-31+g(d).qchem.inp (generated)

051000014.td-b3lyp_6-31+g(d).gjf (generated)

051000014.td-b3lyp_6-31+g(d).firefly.inp (generated)

051000014.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051000014.mol 051000014.PUBCHEM 051000014.mol (via Jmol)
051000019.b3lyp_6-31g(d).inp

051000019.b3lyp_6-31g(d).qchem.inp (generated)

051000019.b3lyp_6-31g(d).gjf (generated)

051000019.b3lyp_6-31g(d).firefly.inp (generated)

051000019.b3lyp_6-31g(d).smash.inp (generated)

051000019.b3lyp_6-31g(d).nwchem.inp (generated) 051000019.b3lyp_6-31g(d).log.xz 051000019.td-b3lyp_6-31g+(d).inp 051000019.td-b3lyp_6-31g+(d).log.xz

051000019.td-b3lyp_6-31+g(d).qchem.inp (generated)

051000019.td-b3lyp_6-31+g(d).gjf (generated)

051000019.td-b3lyp_6-31+g(d).firefly.inp (generated)

051000019.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051000019.mol 051000019.PUBCHEM 051000019.mol (via Jmol)
051000021.b3lyp_6-31g(d).inp

051000021.b3lyp_6-31g(d).qchem.inp (generated)

051000021.b3lyp_6-31g(d).gjf (generated)

051000021.b3lyp_6-31g(d).firefly.inp (generated)

051000021.b3lyp_6-31g(d).smash.inp (generated)

051000021.b3lyp_6-31g(d).nwchem.inp (generated) 051000021.b3lyp_6-31g(d).log.xz 051000021.td-b3lyp_6-31g+(d).inp 051000021.td-b3lyp_6-31g+(d).log.xz

051000021.td-b3lyp_6-31+g(d).qchem.inp (generated)

051000021.td-b3lyp_6-31+g(d).gjf (generated)

051000021.td-b3lyp_6-31+g(d).firefly.inp (generated)

051000021.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051000021.mol 051000021.PUBCHEM 051000021.mol (via Jmol)
051000025.b3lyp_6-31g(d).inp

051000025.b3lyp_6-31g(d).qchem.inp (generated)

051000025.b3lyp_6-31g(d).gjf (generated)

051000025.b3lyp_6-31g(d).firefly.inp (generated)

051000025.b3lyp_6-31g(d).smash.inp (generated)

051000025.b3lyp_6-31g(d).nwchem.inp (generated) 051000025.b3lyp_6-31g(d).log.xz 051000025.td-b3lyp_6-31g+(d).inp 051000025.td-b3lyp_6-31g+(d).log.xz

051000025.td-b3lyp_6-31+g(d).qchem.inp (generated)

051000025.td-b3lyp_6-31+g(d).gjf (generated)

051000025.td-b3lyp_6-31+g(d).firefly.inp (generated)

051000025.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051000025.mol 051000025.PUBCHEM 051000025.mol (via Jmol)
051000027.b3lyp_6-31g(d).inp

051000027.b3lyp_6-31g(d).qchem.inp (generated)

051000027.b3lyp_6-31g(d).gjf (generated)

051000027.b3lyp_6-31g(d).firefly.inp (generated)

051000027.b3lyp_6-31g(d).smash.inp (generated)

051000027.b3lyp_6-31g(d).nwchem.inp (generated) 051000027.b3lyp_6-31g(d).log.xz 051000027.td-b3lyp_6-31g+(d).inp 051000027.td-b3lyp_6-31g+(d).log.xz

051000027.td-b3lyp_6-31+g(d).qchem.inp (generated)

051000027.td-b3lyp_6-31+g(d).gjf (generated)

051000027.td-b3lyp_6-31+g(d).firefly.inp (generated)

051000027.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051000027.mol 051000027.PUBCHEM 051000027.mol (via Jmol)
051000028.b3lyp_6-31g(d).inp

051000028.b3lyp_6-31g(d).qchem.inp (generated)

051000028.b3lyp_6-31g(d).gjf (generated)

051000028.b3lyp_6-31g(d).firefly.inp (generated)

051000028.b3lyp_6-31g(d).smash.inp (generated)

051000028.b3lyp_6-31g(d).nwchem.inp (generated) 051000028.b3lyp_6-31g(d).log.xz 051000028.td-b3lyp_6-31g+(d).inp 051000028.td-b3lyp_6-31g+(d).log.xz

051000028.td-b3lyp_6-31+g(d).qchem.inp (generated)

051000028.td-b3lyp_6-31+g(d).gjf (generated)

051000028.td-b3lyp_6-31+g(d).firefly.inp (generated)

051000028.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051000028.mol 051000028.PUBCHEM 051000028.mol (via Jmol)
051000031.b3lyp_6-31g(d).inp

051000031.b3lyp_6-31g(d).qchem.inp (generated)

051000031.b3lyp_6-31g(d).gjf (generated)

051000031.b3lyp_6-31g(d).firefly.inp (generated)

051000031.b3lyp_6-31g(d).smash.inp (generated)

051000031.b3lyp_6-31g(d).nwchem.inp (generated) 051000031.b3lyp_6-31g(d).log.xz 051000031.td-b3lyp_6-31g+(d).inp 051000031.td-b3lyp_6-31g+(d).log.xz

051000031.td-b3lyp_6-31+g(d).qchem.inp (generated)

051000031.td-b3lyp_6-31+g(d).gjf (generated)

051000031.td-b3lyp_6-31+g(d).firefly.inp (generated)

051000031.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051000031.mol 051000031.PUBCHEM 051000031.mol (via Jmol)
051000032.b3lyp_6-31g(d).inp

051000032.b3lyp_6-31g(d).qchem.inp (generated)

051000032.b3lyp_6-31g(d).gjf (generated)

051000032.b3lyp_6-31g(d).firefly.inp (generated)

051000032.b3lyp_6-31g(d).smash.inp (generated)

051000032.b3lyp_6-31g(d).nwchem.inp (generated) 051000032.b3lyp_6-31g(d).log.xz 051000032.td-b3lyp_6-31g+(d).inp 051000032.td-b3lyp_6-31g+(d).log.xz

051000032.td-b3lyp_6-31+g(d).qchem.inp (generated)

051000032.td-b3lyp_6-31+g(d).gjf (generated)

051000032.td-b3lyp_6-31+g(d).firefly.inp (generated)

051000032.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051000032.mol 051000032.PUBCHEM 051000032.mol (via Jmol)
051000033.b3lyp_6-31g(d).inp

051000033.b3lyp_6-31g(d).qchem.inp (generated)

051000033.b3lyp_6-31g(d).gjf (generated)

051000033.b3lyp_6-31g(d).firefly.inp (generated)

051000033.b3lyp_6-31g(d).smash.inp (generated)

051000033.b3lyp_6-31g(d).nwchem.inp (generated) 051000033.b3lyp_6-31g(d).log.xz 051000033.td-b3lyp_6-31g+(d).inp 051000033.td-b3lyp_6-31g+(d).log.xz

051000033.td-b3lyp_6-31+g(d).qchem.inp (generated)

051000033.td-b3lyp_6-31+g(d).gjf (generated)

051000033.td-b3lyp_6-31+g(d).firefly.inp (generated)

051000033.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051000033.mol 051000033.PUBCHEM 051000033.mol (via Jmol)
051000034.b3lyp_6-31g(d).inp

051000034.b3lyp_6-31g(d).qchem.inp (generated)

051000034.b3lyp_6-31g(d).gjf (generated)

051000034.b3lyp_6-31g(d).firefly.inp (generated)

051000034.b3lyp_6-31g(d).smash.inp (generated)

051000034.b3lyp_6-31g(d).nwchem.inp (generated) 051000034.b3lyp_6-31g(d).log.xz 051000034.mol 051000034.PUBCHEM 051000034.mol (via Jmol)
051000035.b3lyp_6-31g(d).inp

051000035.b3lyp_6-31g(d).qchem.inp (generated)

051000035.b3lyp_6-31g(d).gjf (generated)

051000035.b3lyp_6-31g(d).firefly.inp (generated)

051000035.b3lyp_6-31g(d).smash.inp (generated)

051000035.b3lyp_6-31g(d).nwchem.inp (generated) 051000035.b3lyp_6-31g(d).log.xz 051000035.td-b3lyp_6-31g+(d).inp 051000035.td-b3lyp_6-31g+(d).log.xz

051000035.td-b3lyp_6-31+g(d).qchem.inp (generated)

051000035.td-b3lyp_6-31+g(d).gjf (generated)

051000035.td-b3lyp_6-31+g(d).firefly.inp (generated)

051000035.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051000035.mol 051000035.PUBCHEM 051000035.mol (via Jmol)
051000038.b3lyp_6-31g(d).inp

051000038.b3lyp_6-31g(d).qchem.inp (generated)

051000038.b3lyp_6-31g(d).gjf (generated)

051000038.b3lyp_6-31g(d).firefly.inp (generated)

051000038.b3lyp_6-31g(d).smash.inp (generated)

051000038.b3lyp_6-31g(d).nwchem.inp (generated) 051000038.b3lyp_6-31g(d).log.xz 051000038.mol 051000038.PUBCHEM 051000038.mol (via Jmol)
051000039.b3lyp_6-31g(d).inp

051000039.b3lyp_6-31g(d).qchem.inp (generated)

051000039.b3lyp_6-31g(d).gjf (generated)

051000039.b3lyp_6-31g(d).firefly.inp (generated)

051000039.b3lyp_6-31g(d).smash.inp (generated)

051000039.b3lyp_6-31g(d).nwchem.inp (generated) 051000039.b3lyp_6-31g(d).log.xz 051000039.td-b3lyp_6-31g+(d).inp 051000039.td-b3lyp_6-31g+(d).log.xz

051000039.td-b3lyp_6-31+g(d).qchem.inp (generated)

051000039.td-b3lyp_6-31+g(d).gjf (generated)

051000039.td-b3lyp_6-31+g(d).firefly.inp (generated)

051000039.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051000039.mol 051000039.PUBCHEM 051000039.mol (via Jmol)
051000042.b3lyp_6-31g(d).inp

051000042.b3lyp_6-31g(d).qchem.inp (generated)

051000042.b3lyp_6-31g(d).gjf (generated)

051000042.b3lyp_6-31g(d).firefly.inp (generated)

051000042.b3lyp_6-31g(d).smash.inp (generated)

051000042.b3lyp_6-31g(d).nwchem.inp (generated) 051000042.b3lyp_6-31g(d).log.xz 051000042.td-b3lyp_6-31g+(d).inp 051000042.td-b3lyp_6-31g+(d).log.xz

051000042.td-b3lyp_6-31+g(d).qchem.inp (generated)

051000042.td-b3lyp_6-31+g(d).gjf (generated)

051000042.td-b3lyp_6-31+g(d).firefly.inp (generated)

051000042.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051000042.mol 051000042.PUBCHEM 051000042.mol (via Jmol)
051000043.b3lyp_6-31g(d).inp

051000043.b3lyp_6-31g(d).qchem.inp (generated)

051000043.b3lyp_6-31g(d).gjf (generated)

051000043.b3lyp_6-31g(d).firefly.inp (generated)

051000043.b3lyp_6-31g(d).smash.inp (generated)

051000043.b3lyp_6-31g(d).nwchem.inp (generated) 051000043.b3lyp_6-31g(d).log.xz 051000043.td-b3lyp_6-31g+(d).inp 051000043.td-b3lyp_6-31g+(d).log.xz

051000043.td-b3lyp_6-31+g(d).qchem.inp (generated)

051000043.td-b3lyp_6-31+g(d).gjf (generated)

051000043.td-b3lyp_6-31+g(d).firefly.inp (generated)

051000043.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051000043.mol 051000043.PUBCHEM 051000043.mol (via Jmol)
051000045.b3lyp_6-31g(d).inp

051000045.b3lyp_6-31g(d).qchem.inp (generated)

051000045.b3lyp_6-31g(d).gjf (generated)

051000045.b3lyp_6-31g(d).firefly.inp (generated)

051000045.b3lyp_6-31g(d).smash.inp (generated)

051000045.b3lyp_6-31g(d).nwchem.inp (generated) 051000045.b3lyp_6-31g(d).log.xz 051000045.td-b3lyp_6-31g+(d).inp 051000045.td-b3lyp_6-31g+(d).log.xz

051000045.td-b3lyp_6-31+g(d).qchem.inp (generated)

051000045.td-b3lyp_6-31+g(d).gjf (generated)

051000045.td-b3lyp_6-31+g(d).firefly.inp (generated)

051000045.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051000045.mol 051000045.PUBCHEM 051000045.mol (via Jmol)
051000047.b3lyp_6-31g(d).inp

051000047.b3lyp_6-31g(d).qchem.inp (generated)

051000047.b3lyp_6-31g(d).gjf (generated)

051000047.b3lyp_6-31g(d).firefly.inp (generated)

051000047.b3lyp_6-31g(d).smash.inp (generated)

051000047.b3lyp_6-31g(d).nwchem.inp (generated) 051000047.b3lyp_6-31g(d).log.xz 051000047.td-b3lyp_6-31g+(d).inp 051000047.td-b3lyp_6-31g+(d).log.xz

051000047.td-b3lyp_6-31+g(d).qchem.inp (generated)

051000047.td-b3lyp_6-31+g(d).gjf (generated)

051000047.td-b3lyp_6-31+g(d).firefly.inp (generated)

051000047.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051000047.mol 051000047.PUBCHEM 051000047.mol (via Jmol)
051000048.b3lyp_6-31g(d).inp

051000048.b3lyp_6-31g(d).qchem.inp (generated)

051000048.b3lyp_6-31g(d).gjf (generated)

051000048.b3lyp_6-31g(d).firefly.inp (generated)

051000048.b3lyp_6-31g(d).smash.inp (generated)

051000048.b3lyp_6-31g(d).nwchem.inp (generated) 051000048.b3lyp_6-31g(d).log.xz 051000048.td-b3lyp_6-31g+(d).inp 051000048.td-b3lyp_6-31g+(d).log.xz

051000048.td-b3lyp_6-31+g(d).qchem.inp (generated)

051000048.td-b3lyp_6-31+g(d).gjf (generated)

051000048.td-b3lyp_6-31+g(d).firefly.inp (generated)

051000048.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051000048.mol 051000048.PUBCHEM 051000048.mol (via Jmol)
051000052.b3lyp_6-31g(d).inp

051000052.b3lyp_6-31g(d).qchem.inp (generated)

051000052.b3lyp_6-31g(d).gjf (generated)

051000052.b3lyp_6-31g(d).firefly.inp (generated)

051000052.b3lyp_6-31g(d).smash.inp (generated)

051000052.b3lyp_6-31g(d).nwchem.inp (generated) 051000052.b3lyp_6-31g(d).log.xz 051000052.td-b3lyp_6-31g+(d).inp 051000052.td-b3lyp_6-31g+(d).log.xz

051000052.td-b3lyp_6-31+g(d).qchem.inp (generated)

051000052.td-b3lyp_6-31+g(d).gjf (generated)

051000052.td-b3lyp_6-31+g(d).firefly.inp (generated)

051000052.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051000052.mol 051000052.PUBCHEM 051000052.mol (via Jmol)
051000057.b3lyp_6-31g(d).inp

051000057.b3lyp_6-31g(d).qchem.inp (generated)

051000057.b3lyp_6-31g(d).gjf (generated)

051000057.b3lyp_6-31g(d).firefly.inp (generated)

051000057.b3lyp_6-31g(d).smash.inp (generated)

051000057.b3lyp_6-31g(d).nwchem.inp (generated) 051000057.b3lyp_6-31g(d).log.xz 051000057.td-b3lyp_6-31g+(d).inp 051000057.td-b3lyp_6-31g+(d).log.xz

051000057.td-b3lyp_6-31+g(d).qchem.inp (generated)

051000057.td-b3lyp_6-31+g(d).gjf (generated)

051000057.td-b3lyp_6-31+g(d).firefly.inp (generated)

051000057.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051000057.mol 051000057.PUBCHEM 051000057.mol (via Jmol)
051000059.b3lyp_6-31g(d).inp

051000059.b3lyp_6-31g(d).qchem.inp (generated)

051000059.b3lyp_6-31g(d).gjf (generated)

051000059.b3lyp_6-31g(d).firefly.inp (generated)

051000059.b3lyp_6-31g(d).smash.inp (generated)

051000059.b3lyp_6-31g(d).nwchem.inp (generated) 051000059.b3lyp_6-31g(d).log.xz 051000059.td-b3lyp_6-31g+(d).inp 051000059.td-b3lyp_6-31g+(d).log.xz

051000059.td-b3lyp_6-31+g(d).qchem.inp (generated)

051000059.td-b3lyp_6-31+g(d).gjf (generated)

051000059.td-b3lyp_6-31+g(d).firefly.inp (generated)

051000059.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051000059.mol 051000059.PUBCHEM 051000059.mol (via Jmol)
051000061.b3lyp_6-31g(d).inp

051000061.b3lyp_6-31g(d).qchem.inp (generated)

051000061.b3lyp_6-31g(d).gjf (generated)

051000061.b3lyp_6-31g(d).firefly.inp (generated)

051000061.b3lyp_6-31g(d).smash.inp (generated)

051000061.b3lyp_6-31g(d).nwchem.inp (generated) 051000061.b3lyp_6-31g(d).log.xz 051000061.td-b3lyp_6-31g+(d).inp 051000061.td-b3lyp_6-31g+(d).log.xz

051000061.td-b3lyp_6-31+g(d).qchem.inp (generated)

051000061.td-b3lyp_6-31+g(d).gjf (generated)

051000061.td-b3lyp_6-31+g(d).firefly.inp (generated)

051000061.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051000061.mol 051000061.PUBCHEM 051000061.mol (via Jmol)
051000062.b3lyp_6-31g(d).inp

051000062.b3lyp_6-31g(d).qchem.inp (generated)

051000062.b3lyp_6-31g(d).gjf (generated)

051000062.b3lyp_6-31g(d).firefly.inp (generated)

051000062.b3lyp_6-31g(d).smash.inp (generated)

051000062.b3lyp_6-31g(d).nwchem.inp (generated) 051000062.b3lyp_6-31g(d).log.xz 051000062.td-b3lyp_6-31g+(d).inp 051000062.td-b3lyp_6-31g+(d).log.xz

051000062.td-b3lyp_6-31+g(d).qchem.inp (generated)

051000062.td-b3lyp_6-31+g(d).gjf (generated)

051000062.td-b3lyp_6-31+g(d).firefly.inp (generated)

051000062.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051000062.mol 051000062.PUBCHEM 051000062.mol (via Jmol)
051000082.b3lyp_6-31g(d).inp

051000082.b3lyp_6-31g(d).qchem.inp (generated)

051000082.b3lyp_6-31g(d).gjf (generated)

051000082.b3lyp_6-31g(d).firefly.inp (generated)

051000082.b3lyp_6-31g(d).smash.inp (generated)

051000082.b3lyp_6-31g(d).nwchem.inp (generated) 051000082.b3lyp_6-31g(d).log.xz 051000082.td-b3lyp_6-31g+(d).inp 051000082.td-b3lyp_6-31g+(d).log.xz

051000082.td-b3lyp_6-31+g(d).qchem.inp (generated)

051000082.td-b3lyp_6-31+g(d).gjf (generated)

051000082.td-b3lyp_6-31+g(d).firefly.inp (generated)

051000082.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051000082.mol 051000082.PUBCHEM 051000082.mol (via Jmol)
051000092.b3lyp_6-31g(d).inp

051000092.b3lyp_6-31g(d).qchem.inp (generated)

051000092.b3lyp_6-31g(d).gjf (generated)

051000092.b3lyp_6-31g(d).firefly.inp (generated)

051000092.b3lyp_6-31g(d).smash.inp (generated)

051000092.b3lyp_6-31g(d).nwchem.inp (generated) 051000092.b3lyp_6-31g(d).log.xz 051000092.td-b3lyp_6-31g+(d).inp 051000092.td-b3lyp_6-31g+(d).log.xz

051000092.td-b3lyp_6-31+g(d).qchem.inp (generated)

051000092.td-b3lyp_6-31+g(d).gjf (generated)

051000092.td-b3lyp_6-31+g(d).firefly.inp (generated)

051000092.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051000092.mol 051000092.PUBCHEM 051000092.mol (via Jmol)
051000093.b3lyp_6-31g(d).inp

051000093.b3lyp_6-31g(d).qchem.inp (generated)

051000093.b3lyp_6-31g(d).gjf (generated)

051000093.b3lyp_6-31g(d).firefly.inp (generated)

051000093.b3lyp_6-31g(d).smash.inp (generated)

051000093.b3lyp_6-31g(d).nwchem.inp (generated) 051000093.b3lyp_6-31g(d).log.xz 051000093.td-b3lyp_6-31g+(d).inp 051000093.td-b3lyp_6-31g+(d).log.xz

051000093.td-b3lyp_6-31+g(d).qchem.inp (generated)

051000093.td-b3lyp_6-31+g(d).gjf (generated)

051000093.td-b3lyp_6-31+g(d).firefly.inp (generated)

051000093.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051000093.mol 051000093.PUBCHEM 051000093.mol (via Jmol)
051000096.b3lyp_6-31g(d).inp

051000096.b3lyp_6-31g(d).qchem.inp (generated)

051000096.b3lyp_6-31g(d).gjf (generated)

051000096.b3lyp_6-31g(d).firefly.inp (generated)

051000096.b3lyp_6-31g(d).smash.inp (generated)

051000096.b3lyp_6-31g(d).nwchem.inp (generated) 051000096.b3lyp_6-31g(d).log.xz 051000096.td-b3lyp_6-31g+(d).inp 051000096.td-b3lyp_6-31g+(d).log.xz

051000096.td-b3lyp_6-31+g(d).qchem.inp (generated)

051000096.td-b3lyp_6-31+g(d).gjf (generated)

051000096.td-b3lyp_6-31+g(d).firefly.inp (generated)

051000096.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051000096.mol 051000096.PUBCHEM 051000096.mol (via Jmol)
051000121.b3lyp_6-31g(d).inp

051000121.b3lyp_6-31g(d).qchem.inp (generated)

051000121.b3lyp_6-31g(d).gjf (generated)

051000121.b3lyp_6-31g(d).firefly.inp (generated)

051000121.b3lyp_6-31g(d).smash.inp (generated)

051000121.b3lyp_6-31g(d).nwchem.inp (generated) 051000121.b3lyp_6-31g(d).log.xz 051000121.td-b3lyp_6-31g+(d).inp 051000121.td-b3lyp_6-31g+(d).log.xz

051000121.td-b3lyp_6-31+g(d).qchem.inp (generated)

051000121.td-b3lyp_6-31+g(d).gjf (generated)

051000121.td-b3lyp_6-31+g(d).firefly.inp (generated)

051000121.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051000121.mol 051000121.PUBCHEM 051000121.mol (via Jmol)
051000123.b3lyp_6-31g(d).inp

051000123.b3lyp_6-31g(d).qchem.inp (generated)

051000123.b3lyp_6-31g(d).gjf (generated)

051000123.b3lyp_6-31g(d).firefly.inp (generated)

051000123.b3lyp_6-31g(d).smash.inp (generated)

051000123.b3lyp_6-31g(d).nwchem.inp (generated) 051000123.b3lyp_6-31g(d).log.xz 051000123.td-b3lyp_6-31g+(d).inp 051000123.td-b3lyp_6-31g+(d).log.xz

051000123.td-b3lyp_6-31+g(d).qchem.inp (generated)

051000123.td-b3lyp_6-31+g(d).gjf (generated)

051000123.td-b3lyp_6-31+g(d).firefly.inp (generated)

051000123.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051000123.mol 051000123.PUBCHEM 051000123.mol (via Jmol)
051000124.b3lyp_6-31g(d).inp

051000124.b3lyp_6-31g(d).qchem.inp (generated)

051000124.b3lyp_6-31g(d).gjf (generated)

051000124.b3lyp_6-31g(d).firefly.inp (generated)

051000124.b3lyp_6-31g(d).smash.inp (generated)

051000124.b3lyp_6-31g(d).nwchem.inp (generated) 051000124.b3lyp_6-31g(d).log.xz 051000124.td-b3lyp_6-31g+(d).inp 051000124.td-b3lyp_6-31g+(d).log.xz

051000124.td-b3lyp_6-31+g(d).qchem.inp (generated)

051000124.td-b3lyp_6-31+g(d).gjf (generated)

051000124.td-b3lyp_6-31+g(d).firefly.inp (generated)

051000124.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051000124.mol 051000124.PUBCHEM 051000124.mol (via Jmol)
051000125.b3lyp_6-31g(d).inp

051000125.b3lyp_6-31g(d).qchem.inp (generated)

051000125.b3lyp_6-31g(d).gjf (generated)

051000125.b3lyp_6-31g(d).firefly.inp (generated)

051000125.b3lyp_6-31g(d).smash.inp (generated)

051000125.b3lyp_6-31g(d).nwchem.inp (generated) 051000125.b3lyp_6-31g(d).log.xz 051000125.td-b3lyp_6-31g+(d).inp 051000125.td-b3lyp_6-31g+(d).log.xz

051000125.td-b3lyp_6-31+g(d).qchem.inp (generated)

051000125.td-b3lyp_6-31+g(d).gjf (generated)

051000125.td-b3lyp_6-31+g(d).firefly.inp (generated)

051000125.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051000125.mol 051000125.PUBCHEM 051000125.mol (via Jmol)
051000126.b3lyp_6-31g(d).inp

051000126.b3lyp_6-31g(d).qchem.inp (generated)

051000126.b3lyp_6-31g(d).gjf (generated)

051000126.b3lyp_6-31g(d).firefly.inp (generated)

051000126.b3lyp_6-31g(d).smash.inp (generated)

051000126.b3lyp_6-31g(d).nwchem.inp (generated) 051000126.b3lyp_6-31g(d).log.xz 051000126.td-b3lyp_6-31g+(d).inp 051000126.td-b3lyp_6-31g+(d).log.xz

051000126.td-b3lyp_6-31+g(d).qchem.inp (generated)

051000126.td-b3lyp_6-31+g(d).gjf (generated)

051000126.td-b3lyp_6-31+g(d).firefly.inp (generated)

051000126.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051000126.mol 051000126.PUBCHEM 051000126.mol (via Jmol)
051000127.b3lyp_6-31g(d).inp

051000127.b3lyp_6-31g(d).qchem.inp (generated)

051000127.b3lyp_6-31g(d).gjf (generated)

051000127.b3lyp_6-31g(d).firefly.inp (generated)

051000127.b3lyp_6-31g(d).smash.inp (generated)

051000127.b3lyp_6-31g(d).nwchem.inp (generated) 051000127.b3lyp_6-31g(d).log.xz 051000127.td-b3lyp_6-31g+(d).inp 051000127.td-b3lyp_6-31g+(d).log.xz

051000127.td-b3lyp_6-31+g(d).qchem.inp (generated)

051000127.td-b3lyp_6-31+g(d).gjf (generated)

051000127.td-b3lyp_6-31+g(d).firefly.inp (generated)

051000127.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051000127.mol 051000127.PUBCHEM 051000127.mol (via Jmol)
051000128.b3lyp_6-31g(d).inp

051000128.b3lyp_6-31g(d).qchem.inp (generated)

051000128.b3lyp_6-31g(d).gjf (generated)

051000128.b3lyp_6-31g(d).firefly.inp (generated)

051000128.b3lyp_6-31g(d).smash.inp (generated)

051000128.b3lyp_6-31g(d).nwchem.inp (generated) 051000128.b3lyp_6-31g(d).log.xz 051000128.td-b3lyp_6-31g+(d).inp 051000128.td-b3lyp_6-31g+(d).log.xz

051000128.td-b3lyp_6-31+g(d).qchem.inp (generated)

051000128.td-b3lyp_6-31+g(d).gjf (generated)

051000128.td-b3lyp_6-31+g(d).firefly.inp (generated)

051000128.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051000128.mol 051000128.PUBCHEM 051000128.mol (via Jmol)
051000129.b3lyp_6-31g(d).inp

051000129.b3lyp_6-31g(d).qchem.inp (generated)

051000129.b3lyp_6-31g(d).gjf (generated)

051000129.b3lyp_6-31g(d).firefly.inp (generated)

051000129.b3lyp_6-31g(d).smash.inp (generated)

051000129.b3lyp_6-31g(d).nwchem.inp (generated) 051000129.b3lyp_6-31g(d).log.xz 051000129.td-b3lyp_6-31g+(d).inp 051000129.td-b3lyp_6-31g+(d).log.xz

051000129.td-b3lyp_6-31+g(d).qchem.inp (generated)

051000129.td-b3lyp_6-31+g(d).gjf (generated)

051000129.td-b3lyp_6-31+g(d).firefly.inp (generated)

051000129.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051000129.mol 051000129.PUBCHEM 051000129.mol (via Jmol)
051000130.b3lyp_6-31g(d).inp

051000130.b3lyp_6-31g(d).qchem.inp (generated)

051000130.b3lyp_6-31g(d).gjf (generated)

051000130.b3lyp_6-31g(d).firefly.inp (generated)

051000130.b3lyp_6-31g(d).smash.inp (generated)

051000130.b3lyp_6-31g(d).nwchem.inp (generated) 051000130.b3lyp_6-31g(d).log.xz 051000130.mol 051000130.PUBCHEM 051000130.mol (via Jmol)
051000131.b3lyp_6-31g(d).inp

051000131.b3lyp_6-31g(d).qchem.inp (generated)

051000131.b3lyp_6-31g(d).gjf (generated)

051000131.b3lyp_6-31g(d).firefly.inp (generated)

051000131.b3lyp_6-31g(d).smash.inp (generated)

051000131.b3lyp_6-31g(d).nwchem.inp (generated) 051000131.b3lyp_6-31g(d).log.xz 051000131.mol 051000131.PUBCHEM 051000131.mol (via Jmol)
051000136.b3lyp_6-31g(d).inp

051000136.b3lyp_6-31g(d).qchem.inp (generated)

051000136.b3lyp_6-31g(d).gjf (generated)

051000136.b3lyp_6-31g(d).firefly.inp (generated)

051000136.b3lyp_6-31g(d).smash.inp (generated)

051000136.b3lyp_6-31g(d).nwchem.inp (generated) 051000136.b3lyp_6-31g(d).log.xz 051000136.td-b3lyp_6-31g+(d).inp 051000136.td-b3lyp_6-31g+(d).log.xz

051000136.td-b3lyp_6-31+g(d).qchem.inp (generated)

051000136.td-b3lyp_6-31+g(d).gjf (generated)

051000136.td-b3lyp_6-31+g(d).firefly.inp (generated)

051000136.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051000136.mol 051000136.PUBCHEM 051000136.mol (via Jmol)
051000144.b3lyp_6-31g(d).inp

051000144.b3lyp_6-31g(d).qchem.inp (generated)

051000144.b3lyp_6-31g(d).gjf (generated)

051000144.b3lyp_6-31g(d).firefly.inp (generated)

051000144.b3lyp_6-31g(d).smash.inp (generated)

051000144.b3lyp_6-31g(d).nwchem.inp (generated) 051000144.b3lyp_6-31g(d).log.xz 051000144.td-b3lyp_6-31g+(d).inp 051000144.td-b3lyp_6-31g+(d).log.xz

051000144.td-b3lyp_6-31+g(d).qchem.inp (generated)

051000144.td-b3lyp_6-31+g(d).gjf (generated)

051000144.td-b3lyp_6-31+g(d).firefly.inp (generated)

051000144.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051000144.mol 051000144.PUBCHEM 051000144.mol (via Jmol)
051000145.b3lyp_6-31g(d).inp

051000145.b3lyp_6-31g(d).qchem.inp (generated)

051000145.b3lyp_6-31g(d).gjf (generated)

051000145.b3lyp_6-31g(d).firefly.inp (generated)

051000145.b3lyp_6-31g(d).smash.inp (generated)

051000145.b3lyp_6-31g(d).nwchem.inp (generated) 051000145.b3lyp_6-31g(d).log.xz 051000145.td-b3lyp_6-31g+(d).inp 051000145.td-b3lyp_6-31g+(d).log.xz

051000145.td-b3lyp_6-31+g(d).qchem.inp (generated)

051000145.td-b3lyp_6-31+g(d).gjf (generated)

051000145.td-b3lyp_6-31+g(d).firefly.inp (generated)

051000145.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051000145.mol 051000145.PUBCHEM 051000145.mol (via Jmol)
051000146.b3lyp_6-31g(d).inp

051000146.b3lyp_6-31g(d).qchem.inp (generated)

051000146.b3lyp_6-31g(d).gjf (generated)

051000146.b3lyp_6-31g(d).firefly.inp (generated)

051000146.b3lyp_6-31g(d).smash.inp (generated)

051000146.b3lyp_6-31g(d).nwchem.inp (generated) 051000146.b3lyp_6-31g(d).log.xz 051000146.td-b3lyp_6-31g+(d).inp 051000146.td-b3lyp_6-31g+(d).log.xz

051000146.td-b3lyp_6-31+g(d).qchem.inp (generated)

051000146.td-b3lyp_6-31+g(d).gjf (generated)

051000146.td-b3lyp_6-31+g(d).firefly.inp (generated)

051000146.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051000146.mol 051000146.PUBCHEM 051000146.mol (via Jmol)
051000147.b3lyp_6-31g(d).inp

051000147.b3lyp_6-31g(d).qchem.inp (generated)

051000147.b3lyp_6-31g(d).gjf (generated)

051000147.b3lyp_6-31g(d).firefly.inp (generated)

051000147.b3lyp_6-31g(d).smash.inp (generated)

051000147.b3lyp_6-31g(d).nwchem.inp (generated) 051000147.b3lyp_6-31g(d).log.xz 051000147.td-b3lyp_6-31g+(d).inp 051000147.td-b3lyp_6-31g+(d).log.xz

051000147.td-b3lyp_6-31+g(d).qchem.inp (generated)

051000147.td-b3lyp_6-31+g(d).gjf (generated)

051000147.td-b3lyp_6-31+g(d).firefly.inp (generated)

051000147.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051000147.mol 051000147.PUBCHEM 051000147.mol (via Jmol)
051000148.b3lyp_6-31g(d).inp

051000148.b3lyp_6-31g(d).qchem.inp (generated)

051000148.b3lyp_6-31g(d).gjf (generated)

051000148.b3lyp_6-31g(d).firefly.inp (generated)

051000148.b3lyp_6-31g(d).smash.inp (generated)

051000148.b3lyp_6-31g(d).nwchem.inp (generated) 051000148.b3lyp_6-31g(d).log.xz 051000148.mol 051000148.PUBCHEM 051000148.mol (via Jmol)
051000153.b3lyp_6-31g(d).inp

051000153.b3lyp_6-31g(d).qchem.inp (generated)

051000153.b3lyp_6-31g(d).gjf (generated)

051000153.b3lyp_6-31g(d).firefly.inp (generated)

051000153.b3lyp_6-31g(d).smash.inp (generated)

051000153.b3lyp_6-31g(d).nwchem.inp (generated) 051000153.b3lyp_6-31g(d).log.xz 051000153.mol 051000153.PUBCHEM 051000153.mol (via Jmol)
051000154.b3lyp_6-31g(d).inp

051000154.b3lyp_6-31g(d).qchem.inp (generated)

051000154.b3lyp_6-31g(d).gjf (generated)

051000154.b3lyp_6-31g(d).firefly.inp (generated)

051000154.b3lyp_6-31g(d).smash.inp (generated)

051000154.b3lyp_6-31g(d).nwchem.inp (generated) 051000154.b3lyp_6-31g(d).log.xz 051000154.td-b3lyp_6-31g+(d).inp 051000154.td-b3lyp_6-31g+(d).log.xz

051000154.td-b3lyp_6-31+g(d).qchem.inp (generated)

051000154.td-b3lyp_6-31+g(d).gjf (generated)

051000154.td-b3lyp_6-31+g(d).firefly.inp (generated)

051000154.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051000154.mol 051000154.PUBCHEM 051000154.mol (via Jmol)
051000155.b3lyp_6-31g(d).inp

051000155.b3lyp_6-31g(d).qchem.inp (generated)

051000155.b3lyp_6-31g(d).gjf (generated)

051000155.b3lyp_6-31g(d).firefly.inp (generated)

051000155.b3lyp_6-31g(d).smash.inp (generated)

051000155.b3lyp_6-31g(d).nwchem.inp (generated) 051000155.b3lyp_6-31g(d).log.xz 051000155.td-b3lyp_6-31g+(d).inp 051000155.td-b3lyp_6-31g+(d).log.xz

051000155.td-b3lyp_6-31+g(d).qchem.inp (generated)

051000155.td-b3lyp_6-31+g(d).gjf (generated)

051000155.td-b3lyp_6-31+g(d).firefly.inp (generated)

051000155.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051000155.mol 051000155.PUBCHEM 051000155.mol (via Jmol)
051000159.b3lyp_6-31g(d).inp

051000159.b3lyp_6-31g(d).qchem.inp (generated)

051000159.b3lyp_6-31g(d).gjf (generated)

051000159.b3lyp_6-31g(d).firefly.inp (generated)

051000159.b3lyp_6-31g(d).smash.inp (generated)

051000159.b3lyp_6-31g(d).nwchem.inp (generated) 051000159.b3lyp_6-31g(d).log.xz 051000159.td-b3lyp_6-31g+(d).inp 051000159.td-b3lyp_6-31g+(d).log.xz

051000159.td-b3lyp_6-31+g(d).qchem.inp (generated)

051000159.td-b3lyp_6-31+g(d).gjf (generated)

051000159.td-b3lyp_6-31+g(d).firefly.inp (generated)

051000159.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051000159.mol 051000159.PUBCHEM 051000159.mol (via Jmol)
051000160.b3lyp_6-31g(d).inp

051000160.b3lyp_6-31g(d).qchem.inp (generated)

051000160.b3lyp_6-31g(d).gjf (generated)

051000160.b3lyp_6-31g(d).firefly.inp (generated)

051000160.b3lyp_6-31g(d).smash.inp (generated)

051000160.b3lyp_6-31g(d).nwchem.inp (generated) 051000160.b3lyp_6-31g(d).log.xz 051000160.td-b3lyp_6-31g+(d).inp 051000160.td-b3lyp_6-31g+(d).log.xz

051000160.td-b3lyp_6-31+g(d).qchem.inp (generated)

051000160.td-b3lyp_6-31+g(d).gjf (generated)

051000160.td-b3lyp_6-31+g(d).firefly.inp (generated)

051000160.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051000160.mol 051000160.PUBCHEM 051000160.mol (via Jmol)
051000168.b3lyp_6-31g(d).inp

051000168.b3lyp_6-31g(d).qchem.inp (generated)

051000168.b3lyp_6-31g(d).gjf (generated)

051000168.b3lyp_6-31g(d).firefly.inp (generated)

051000168.b3lyp_6-31g(d).smash.inp (generated)

051000168.b3lyp_6-31g(d).nwchem.inp (generated) 051000168.b3lyp_6-31g(d).log.xz 051000168.td-b3lyp_6-31g+(d).inp 051000168.td-b3lyp_6-31g+(d).log.xz

051000168.td-b3lyp_6-31+g(d).qchem.inp (generated)

051000168.td-b3lyp_6-31+g(d).gjf (generated)

051000168.td-b3lyp_6-31+g(d).firefly.inp (generated)

051000168.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051000168.mol 051000168.PUBCHEM 051000168.mol (via Jmol)
051000169.b3lyp_6-31g(d).inp

051000169.b3lyp_6-31g(d).qchem.inp (generated)

051000169.b3lyp_6-31g(d).gjf (generated)

051000169.b3lyp_6-31g(d).firefly.inp (generated)

051000169.b3lyp_6-31g(d).smash.inp (generated)

051000169.b3lyp_6-31g(d).nwchem.inp (generated) 051000169.b3lyp_6-31g(d).log.xz 051000169.td-b3lyp_6-31g+(d).inp 051000169.td-b3lyp_6-31g+(d).log.xz

051000169.td-b3lyp_6-31+g(d).qchem.inp (generated)

051000169.td-b3lyp_6-31+g(d).gjf (generated)

051000169.td-b3lyp_6-31+g(d).firefly.inp (generated)

051000169.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051000169.mol 051000169.PUBCHEM 051000169.mol (via Jmol)
051000172.b3lyp_6-31g(d).inp

051000172.b3lyp_6-31g(d).qchem.inp (generated)

051000172.b3lyp_6-31g(d).gjf (generated)

051000172.b3lyp_6-31g(d).firefly.inp (generated)

051000172.b3lyp_6-31g(d).smash.inp (generated)

051000172.b3lyp_6-31g(d).nwchem.inp (generated) 051000172.b3lyp_6-31g(d).log.xz 051000172.td-b3lyp_6-31g+(d).inp 051000172.td-b3lyp_6-31g+(d).log.xz

051000172.td-b3lyp_6-31+g(d).qchem.inp (generated)

051000172.td-b3lyp_6-31+g(d).gjf (generated)

051000172.td-b3lyp_6-31+g(d).firefly.inp (generated)

051000172.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051000172.mol 051000172.PUBCHEM 051000172.mol (via Jmol)
051000176.b3lyp_6-31g(d).inp

051000176.b3lyp_6-31g(d).qchem.inp (generated)

051000176.b3lyp_6-31g(d).gjf (generated)

051000176.b3lyp_6-31g(d).firefly.inp (generated)

051000176.b3lyp_6-31g(d).smash.inp (generated)

051000176.b3lyp_6-31g(d).nwchem.inp (generated) 051000176.b3lyp_6-31g(d).log.xz 051000176.td-b3lyp_6-31g+(d).inp 051000176.td-b3lyp_6-31g+(d).log.xz

051000176.td-b3lyp_6-31+g(d).qchem.inp (generated)

051000176.td-b3lyp_6-31+g(d).gjf (generated)

051000176.td-b3lyp_6-31+g(d).firefly.inp (generated)

051000176.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051000176.mol 051000176.PUBCHEM 051000176.mol (via Jmol)
051000182.b3lyp_6-31g(d).inp

051000182.b3lyp_6-31g(d).qchem.inp (generated)

051000182.b3lyp_6-31g(d).gjf (generated)

051000182.b3lyp_6-31g(d).firefly.inp (generated)

051000182.b3lyp_6-31g(d).smash.inp (generated)

051000182.b3lyp_6-31g(d).nwchem.inp (generated) 051000182.b3lyp_6-31g(d).log.xz 051000182.mol 051000182.PUBCHEM 051000182.mol (via Jmol)
051000183.b3lyp_6-31g(d).inp

051000183.b3lyp_6-31g(d).qchem.inp (generated)

051000183.b3lyp_6-31g(d).gjf (generated)

051000183.b3lyp_6-31g(d).firefly.inp (generated)

051000183.b3lyp_6-31g(d).smash.inp (generated)

051000183.b3lyp_6-31g(d).nwchem.inp (generated) 051000183.b3lyp_6-31g(d).log.xz 051000183.td-b3lyp_6-31g+(d).inp 051000183.td-b3lyp_6-31g+(d).log.xz

051000183.td-b3lyp_6-31+g(d).qchem.inp (generated)

051000183.td-b3lyp_6-31+g(d).gjf (generated)

051000183.td-b3lyp_6-31+g(d).firefly.inp (generated)

051000183.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051000183.mol 051000183.PUBCHEM 051000183.mol (via Jmol)
051000184.b3lyp_6-31g(d).inp

051000184.b3lyp_6-31g(d).qchem.inp (generated)

051000184.b3lyp_6-31g(d).gjf (generated)

051000184.b3lyp_6-31g(d).firefly.inp (generated)

051000184.b3lyp_6-31g(d).smash.inp (generated)

051000184.b3lyp_6-31g(d).nwchem.inp (generated) 051000184.b3lyp_6-31g(d).log.xz 051000184.td-b3lyp_6-31g+(d).inp 051000184.td-b3lyp_6-31g+(d).log.xz

051000184.td-b3lyp_6-31+g(d).qchem.inp (generated)

051000184.td-b3lyp_6-31+g(d).gjf (generated)

051000184.td-b3lyp_6-31+g(d).firefly.inp (generated)

051000184.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051000184.mol 051000184.PUBCHEM 051000184.mol (via Jmol)
051000185.b3lyp_6-31g(d).inp

051000185.b3lyp_6-31g(d).qchem.inp (generated)

051000185.b3lyp_6-31g(d).gjf (generated)

051000185.b3lyp_6-31g(d).firefly.inp (generated)

051000185.b3lyp_6-31g(d).smash.inp (generated)

051000185.b3lyp_6-31g(d).nwchem.inp (generated) 051000185.b3lyp_6-31g(d).log.xz 051000185.mol 051000185.PUBCHEM 051000185.mol (via Jmol)
051000194.b3lyp_6-31g(d).inp

051000194.b3lyp_6-31g(d).qchem.inp (generated)

051000194.b3lyp_6-31g(d).gjf (generated)

051000194.b3lyp_6-31g(d).firefly.inp (generated)

051000194.b3lyp_6-31g(d).smash.inp (generated)

051000194.b3lyp_6-31g(d).nwchem.inp (generated) 051000194.b3lyp_6-31g(d).log.xz 051000194.td-b3lyp_6-31g+(d).inp 051000194.td-b3lyp_6-31g+(d).log.xz

051000194.td-b3lyp_6-31+g(d).qchem.inp (generated)

051000194.td-b3lyp_6-31+g(d).gjf (generated)

051000194.td-b3lyp_6-31+g(d).firefly.inp (generated)

051000194.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051000194.mol 051000194.PUBCHEM 051000194.mol (via Jmol)
051000198.b3lyp_6-31g(d).inp

051000198.b3lyp_6-31g(d).qchem.inp (generated)

051000198.b3lyp_6-31g(d).gjf (generated)

051000198.b3lyp_6-31g(d).firefly.inp (generated)

051000198.b3lyp_6-31g(d).smash.inp (generated)

051000198.b3lyp_6-31g(d).nwchem.inp (generated) 051000198.b3lyp_6-31g(d).log.xz 051000198.td-b3lyp_6-31g+(d).inp 051000198.td-b3lyp_6-31g+(d).log.xz

051000198.td-b3lyp_6-31+g(d).qchem.inp (generated)

051000198.td-b3lyp_6-31+g(d).gjf (generated)

051000198.td-b3lyp_6-31+g(d).firefly.inp (generated)

051000198.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051000198.mol 051000198.PUBCHEM 051000198.mol (via Jmol)
051000199.b3lyp_6-31g(d).inp

051000199.b3lyp_6-31g(d).qchem.inp (generated)

051000199.b3lyp_6-31g(d).gjf (generated)

051000199.b3lyp_6-31g(d).firefly.inp (generated)

051000199.b3lyp_6-31g(d).smash.inp (generated)

051000199.b3lyp_6-31g(d).nwchem.inp (generated) 051000199.b3lyp_6-31g(d).log.xz 051000199.td-b3lyp_6-31g+(d).inp 051000199.td-b3lyp_6-31g+(d).log.xz

051000199.td-b3lyp_6-31+g(d).qchem.inp (generated)

051000199.td-b3lyp_6-31+g(d).gjf (generated)

051000199.td-b3lyp_6-31+g(d).firefly.inp (generated)

051000199.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051000199.mol 051000199.PUBCHEM 051000199.mol (via Jmol)
051000202.b3lyp_6-31g(d).inp

051000202.b3lyp_6-31g(d).qchem.inp (generated)

051000202.b3lyp_6-31g(d).gjf (generated)

051000202.b3lyp_6-31g(d).firefly.inp (generated)

051000202.b3lyp_6-31g(d).smash.inp (generated)

051000202.b3lyp_6-31g(d).nwchem.inp (generated) 051000202.b3lyp_6-31g(d).log.xz 051000202.td-b3lyp_6-31g+(d).inp 051000202.td-b3lyp_6-31g+(d).log.xz

051000202.td-b3lyp_6-31+g(d).qchem.inp (generated)

051000202.td-b3lyp_6-31+g(d).gjf (generated)

051000202.td-b3lyp_6-31+g(d).firefly.inp (generated)

051000202.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051000202.mol 051000202.PUBCHEM 051000202.mol (via Jmol)
051000205.b3lyp_6-31g(d).inp

051000205.b3lyp_6-31g(d).qchem.inp (generated)

051000205.b3lyp_6-31g(d).gjf (generated)

051000205.b3lyp_6-31g(d).firefly.inp (generated)

051000205.b3lyp_6-31g(d).smash.inp (generated)

051000205.b3lyp_6-31g(d).nwchem.inp (generated) 051000205.b3lyp_6-31g(d).log.xz 051000205.td-b3lyp_6-31g+(d).inp 051000205.td-b3lyp_6-31g+(d).log.xz

051000205.td-b3lyp_6-31+g(d).qchem.inp (generated)

051000205.td-b3lyp_6-31+g(d).gjf (generated)

051000205.td-b3lyp_6-31+g(d).firefly.inp (generated)

051000205.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051000205.mol 051000205.PUBCHEM 051000205.mol (via Jmol)
051000206.b3lyp_6-31g(d).inp

051000206.b3lyp_6-31g(d).qchem.inp (generated)

051000206.b3lyp_6-31g(d).gjf (generated)

051000206.b3lyp_6-31g(d).firefly.inp (generated)

051000206.b3lyp_6-31g(d).smash.inp (generated)

051000206.b3lyp_6-31g(d).nwchem.inp (generated) 051000206.b3lyp_6-31g(d).log.xz 051000206.td-b3lyp_6-31g+(d).inp 051000206.td-b3lyp_6-31g+(d).log.xz

051000206.td-b3lyp_6-31+g(d).qchem.inp (generated)

051000206.td-b3lyp_6-31+g(d).gjf (generated)

051000206.td-b3lyp_6-31+g(d).firefly.inp (generated)

051000206.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051000206.mol 051000206.PUBCHEM 051000206.mol (via Jmol)
051000209.b3lyp_6-31g(d).inp

051000209.b3lyp_6-31g(d).qchem.inp (generated)

051000209.b3lyp_6-31g(d).gjf (generated)

051000209.b3lyp_6-31g(d).firefly.inp (generated)

051000209.b3lyp_6-31g(d).smash.inp (generated)

051000209.b3lyp_6-31g(d).nwchem.inp (generated) 051000209.b3lyp_6-31g(d).log.xz 051000209.td-b3lyp_6-31g+(d).inp 051000209.td-b3lyp_6-31g+(d).log.xz

051000209.td-b3lyp_6-31+g(d).qchem.inp (generated)

051000209.td-b3lyp_6-31+g(d).gjf (generated)

051000209.td-b3lyp_6-31+g(d).firefly.inp (generated)

051000209.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051000209.mol 051000209.PUBCHEM 051000209.mol (via Jmol)
051000225.b3lyp_6-31g(d).inp

051000225.b3lyp_6-31g(d).qchem.inp (generated)

051000225.b3lyp_6-31g(d).gjf (generated)

051000225.b3lyp_6-31g(d).firefly.inp (generated)

051000225.b3lyp_6-31g(d).smash.inp (generated)

051000225.b3lyp_6-31g(d).nwchem.inp (generated) 051000225.b3lyp_6-31g(d).log.xz 051000225.td-b3lyp_6-31g+(d).inp 051000225.td-b3lyp_6-31g+(d).log.xz

051000225.td-b3lyp_6-31+g(d).qchem.inp (generated)

051000225.td-b3lyp_6-31+g(d).gjf (generated)

051000225.td-b3lyp_6-31+g(d).firefly.inp (generated)

051000225.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051000225.mol 051000225.PUBCHEM 051000225.mol (via Jmol)
051000226.b3lyp_6-31g(d).inp

051000226.b3lyp_6-31g(d).qchem.inp (generated)

051000226.b3lyp_6-31g(d).gjf (generated)

051000226.b3lyp_6-31g(d).firefly.inp (generated)

051000226.b3lyp_6-31g(d).smash.inp (generated)

051000226.b3lyp_6-31g(d).nwchem.inp (generated) 051000226.b3lyp_6-31g(d).log.xz 051000226.mol 051000226.PUBCHEM 051000226.mol (via Jmol)
051000227.b3lyp_6-31g(d).inp

051000227.b3lyp_6-31g(d).qchem.inp (generated)

051000227.b3lyp_6-31g(d).gjf (generated)

051000227.b3lyp_6-31g(d).firefly.inp (generated)

051000227.b3lyp_6-31g(d).smash.inp (generated)

051000227.b3lyp_6-31g(d).nwchem.inp (generated) 051000227.b3lyp_6-31g(d).log.xz 051000227.td-b3lyp_6-31g+(d).inp 051000227.td-b3lyp_6-31g+(d).log.xz

051000227.td-b3lyp_6-31+g(d).qchem.inp (generated)

051000227.td-b3lyp_6-31+g(d).gjf (generated)

051000227.td-b3lyp_6-31+g(d).firefly.inp (generated)

051000227.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051000227.mol 051000227.PUBCHEM 051000227.mol (via Jmol)
051000228.b3lyp_6-31g(d).inp

051000228.b3lyp_6-31g(d).qchem.inp (generated)

051000228.b3lyp_6-31g(d).gjf (generated)

051000228.b3lyp_6-31g(d).firefly.inp (generated)

051000228.b3lyp_6-31g(d).smash.inp (generated)

051000228.b3lyp_6-31g(d).nwchem.inp (generated) 051000228.b3lyp_6-31g(d).log.xz 051000228.td-b3lyp_6-31g+(d).inp 051000228.td-b3lyp_6-31g+(d).log.xz

051000228.td-b3lyp_6-31+g(d).qchem.inp (generated)

051000228.td-b3lyp_6-31+g(d).gjf (generated)

051000228.td-b3lyp_6-31+g(d).firefly.inp (generated)

051000228.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051000228.mol 051000228.PUBCHEM 051000228.mol (via Jmol)
051000229.b3lyp_6-31g(d).inp

051000229.b3lyp_6-31g(d).qchem.inp (generated)

051000229.b3lyp_6-31g(d).gjf (generated)

051000229.b3lyp_6-31g(d).firefly.inp (generated)

051000229.b3lyp_6-31g(d).smash.inp (generated)

051000229.b3lyp_6-31g(d).nwchem.inp (generated) 051000229.b3lyp_6-31g(d).log.xz 051000229.td-b3lyp_6-31g+(d).inp 051000229.td-b3lyp_6-31g+(d).log.xz

051000229.td-b3lyp_6-31+g(d).qchem.inp (generated)

051000229.td-b3lyp_6-31+g(d).gjf (generated)

051000229.td-b3lyp_6-31+g(d).firefly.inp (generated)

051000229.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051000229.mol 051000229.PUBCHEM 051000229.mol (via Jmol)
051000234.b3lyp_6-31g(d).inp

051000234.b3lyp_6-31g(d).qchem.inp (generated)

051000234.b3lyp_6-31g(d).gjf (generated)

051000234.b3lyp_6-31g(d).firefly.inp (generated)

051000234.b3lyp_6-31g(d).smash.inp (generated)

051000234.b3lyp_6-31g(d).nwchem.inp (generated) 051000234.b3lyp_6-31g(d).log.xz 051000234.td-b3lyp_6-31g+(d).inp 051000234.td-b3lyp_6-31g+(d).log.xz

051000234.td-b3lyp_6-31+g(d).qchem.inp (generated)

051000234.td-b3lyp_6-31+g(d).gjf (generated)

051000234.td-b3lyp_6-31+g(d).firefly.inp (generated)

051000234.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051000234.mol 051000234.PUBCHEM 051000234.mol (via Jmol)
051000237.b3lyp_6-31g(d).inp

051000237.b3lyp_6-31g(d).qchem.inp (generated)

051000237.b3lyp_6-31g(d).gjf (generated)

051000237.b3lyp_6-31g(d).firefly.inp (generated)

051000237.b3lyp_6-31g(d).smash.inp (generated)

051000237.b3lyp_6-31g(d).nwchem.inp (generated) 051000237.b3lyp_6-31g(d).log.xz 051000237.td-b3lyp_6-31g+(d).inp 051000237.td-b3lyp_6-31g+(d).log.xz

051000237.td-b3lyp_6-31+g(d).qchem.inp (generated)

051000237.td-b3lyp_6-31+g(d).gjf (generated)

051000237.td-b3lyp_6-31+g(d).firefly.inp (generated)

051000237.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051000237.mol 051000237.PUBCHEM 051000237.mol (via Jmol)
051000238.b3lyp_6-31g(d).inp

051000238.b3lyp_6-31g(d).qchem.inp (generated)

051000238.b3lyp_6-31g(d).gjf (generated)

051000238.b3lyp_6-31g(d).firefly.inp (generated)

051000238.b3lyp_6-31g(d).smash.inp (generated)

051000238.b3lyp_6-31g(d).nwchem.inp (generated) 051000238.b3lyp_6-31g(d).log.xz 051000238.td-b3lyp_6-31g+(d).inp 051000238.td-b3lyp_6-31g+(d).log.xz

051000238.td-b3lyp_6-31+g(d).qchem.inp (generated)

051000238.td-b3lyp_6-31+g(d).gjf (generated)

051000238.td-b3lyp_6-31+g(d).firefly.inp (generated)

051000238.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051000238.mol 051000238.PUBCHEM 051000238.mol (via Jmol)
051000240.b3lyp_6-31g(d).inp

051000240.b3lyp_6-31g(d).qchem.inp (generated)

051000240.b3lyp_6-31g(d).gjf (generated)

051000240.b3lyp_6-31g(d).firefly.inp (generated)

051000240.b3lyp_6-31g(d).smash.inp (generated)

051000240.b3lyp_6-31g(d).nwchem.inp (generated) 051000240.b3lyp_6-31g(d).log.xz 051000240.td-b3lyp_6-31g+(d).inp 051000240.td-b3lyp_6-31g+(d).log.xz

051000240.td-b3lyp_6-31+g(d).qchem.inp (generated)

051000240.td-b3lyp_6-31+g(d).gjf (generated)

051000240.td-b3lyp_6-31+g(d).firefly.inp (generated)

051000240.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051000240.mol 051000240.PUBCHEM 051000240.mol (via Jmol)
051000250.b3lyp_6-31g(d).inp

051000250.b3lyp_6-31g(d).qchem.inp (generated)

051000250.b3lyp_6-31g(d).gjf (generated)

051000250.b3lyp_6-31g(d).firefly.inp (generated)

051000250.b3lyp_6-31g(d).smash.inp (generated)

051000250.b3lyp_6-31g(d).nwchem.inp (generated) 051000250.b3lyp_6-31g(d).log.xz 051000250.td-b3lyp_6-31g+(d).inp 051000250.td-b3lyp_6-31g+(d).log.xz

051000250.td-b3lyp_6-31+g(d).qchem.inp (generated)

051000250.td-b3lyp_6-31+g(d).gjf (generated)

051000250.td-b3lyp_6-31+g(d).firefly.inp (generated)

051000250.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051000250.mol 051000250.PUBCHEM 051000250.mol (via Jmol)
051000252.b3lyp_6-31g(d).inp

051000252.b3lyp_6-31g(d).qchem.inp (generated)

051000252.b3lyp_6-31g(d).gjf (generated)

051000252.b3lyp_6-31g(d).firefly.inp (generated)

051000252.b3lyp_6-31g(d).smash.inp (generated)

051000252.b3lyp_6-31g(d).nwchem.inp (generated) 051000252.b3lyp_6-31g(d).log.xz 051000252.mol 051000252.PUBCHEM 051000252.mol (via Jmol)
051000254.b3lyp_6-31g(d).inp

051000254.b3lyp_6-31g(d).qchem.inp (generated)

051000254.b3lyp_6-31g(d).gjf (generated)

051000254.b3lyp_6-31g(d).firefly.inp (generated)

051000254.b3lyp_6-31g(d).smash.inp (generated)

051000254.b3lyp_6-31g(d).nwchem.inp (generated) 051000254.b3lyp_6-31g(d).log.xz 051000254.td-b3lyp_6-31g+(d).inp 051000254.td-b3lyp_6-31g+(d).log.xz

051000254.td-b3lyp_6-31+g(d).qchem.inp (generated)

051000254.td-b3lyp_6-31+g(d).gjf (generated)

051000254.td-b3lyp_6-31+g(d).firefly.inp (generated)

051000254.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051000254.mol 051000254.PUBCHEM 051000254.mol (via Jmol)
051000262.b3lyp_6-31g(d).inp

051000262.b3lyp_6-31g(d).qchem.inp (generated)

051000262.b3lyp_6-31g(d).gjf (generated)

051000262.b3lyp_6-31g(d).firefly.inp (generated)

051000262.b3lyp_6-31g(d).smash.inp (generated)

051000262.b3lyp_6-31g(d).nwchem.inp (generated) 051000262.b3lyp_6-31g(d).log.xz 051000262.mol 051000262.PUBCHEM 051000262.mol (via Jmol)
051000266.b3lyp_6-31g(d).inp

051000266.b3lyp_6-31g(d).qchem.inp (generated)

051000266.b3lyp_6-31g(d).gjf (generated)

051000266.b3lyp_6-31g(d).firefly.inp (generated)

051000266.b3lyp_6-31g(d).smash.inp (generated)

051000266.b3lyp_6-31g(d).nwchem.inp (generated) 051000266.b3lyp_6-31g(d).log.xz 051000266.mol 051000266.PUBCHEM 051000266.mol (via Jmol)
051000270.b3lyp_6-31g(d).inp

051000270.b3lyp_6-31g(d).qchem.inp (generated)

051000270.b3lyp_6-31g(d).gjf (generated)

051000270.b3lyp_6-31g(d).firefly.inp (generated)

051000270.b3lyp_6-31g(d).smash.inp (generated)

051000270.b3lyp_6-31g(d).nwchem.inp (generated) 051000270.b3lyp_6-31g(d).log.xz 051000270.td-b3lyp_6-31g+(d).inp 051000270.td-b3lyp_6-31g+(d).log.xz

051000270.td-b3lyp_6-31+g(d).qchem.inp (generated)

051000270.td-b3lyp_6-31+g(d).gjf (generated)

051000270.td-b3lyp_6-31+g(d).firefly.inp (generated)

051000270.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051000270.mol 051000270.PUBCHEM 051000270.mol (via Jmol)
051000271.b3lyp_6-31g(d).inp

051000271.b3lyp_6-31g(d).qchem.inp (generated)

051000271.b3lyp_6-31g(d).gjf (generated)

051000271.b3lyp_6-31g(d).firefly.inp (generated)

051000271.b3lyp_6-31g(d).smash.inp (generated)

051000271.b3lyp_6-31g(d).nwchem.inp (generated) 051000271.b3lyp_6-31g(d).log.xz 051000271.td-b3lyp_6-31g+(d).inp 051000271.td-b3lyp_6-31g+(d).log.xz

051000271.td-b3lyp_6-31+g(d).qchem.inp (generated)

051000271.td-b3lyp_6-31+g(d).gjf (generated)

051000271.td-b3lyp_6-31+g(d).firefly.inp (generated)

051000271.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051000271.mol 051000271.PUBCHEM 051000271.mol (via Jmol)
051000272.b3lyp_6-31g(d).inp

051000272.b3lyp_6-31g(d).qchem.inp (generated)

051000272.b3lyp_6-31g(d).gjf (generated)

051000272.b3lyp_6-31g(d).firefly.inp (generated)

051000272.b3lyp_6-31g(d).smash.inp (generated)

051000272.b3lyp_6-31g(d).nwchem.inp (generated) 051000272.b3lyp_6-31g(d).log.xz 051000272.td-b3lyp_6-31g+(d).inp 051000272.td-b3lyp_6-31g+(d).log.xz

051000272.td-b3lyp_6-31+g(d).qchem.inp (generated)

051000272.td-b3lyp_6-31+g(d).gjf (generated)

051000272.td-b3lyp_6-31+g(d).firefly.inp (generated)

051000272.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051000272.mol 051000272.PUBCHEM 051000272.mol (via Jmol)
051000273.b3lyp_6-31g(d).inp

051000273.b3lyp_6-31g(d).qchem.inp (generated)

051000273.b3lyp_6-31g(d).gjf (generated)

051000273.b3lyp_6-31g(d).firefly.inp (generated)

051000273.b3lyp_6-31g(d).smash.inp (generated)

051000273.b3lyp_6-31g(d).nwchem.inp (generated) 051000273.b3lyp_6-31g(d).log.xz 051000273.td-b3lyp_6-31g+(d).inp 051000273.td-b3lyp_6-31g+(d).log.xz

051000273.td-b3lyp_6-31+g(d).qchem.inp (generated)

051000273.td-b3lyp_6-31+g(d).gjf (generated)

051000273.td-b3lyp_6-31+g(d).firefly.inp (generated)

051000273.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051000273.mol 051000273.PUBCHEM 051000273.mol (via Jmol)
051000274.b3lyp_6-31g(d).inp

051000274.b3lyp_6-31g(d).qchem.inp (generated)

051000274.b3lyp_6-31g(d).gjf (generated)

051000274.b3lyp_6-31g(d).firefly.inp (generated)

051000274.b3lyp_6-31g(d).smash.inp (generated)

051000274.b3lyp_6-31g(d).nwchem.inp (generated) 051000274.b3lyp_6-31g(d).log.xz 051000274.td-b3lyp_6-31g+(d).inp 051000274.td-b3lyp_6-31g+(d).log.xz

051000274.td-b3lyp_6-31+g(d).qchem.inp (generated)

051000274.td-b3lyp_6-31+g(d).gjf (generated)

051000274.td-b3lyp_6-31+g(d).firefly.inp (generated)

051000274.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051000274.mol 051000274.PUBCHEM 051000274.mol (via Jmol)
051000276.b3lyp_6-31g(d).inp

051000276.b3lyp_6-31g(d).qchem.inp (generated)

051000276.b3lyp_6-31g(d).gjf (generated)

051000276.b3lyp_6-31g(d).firefly.inp (generated)

051000276.b3lyp_6-31g(d).smash.inp (generated)

051000276.b3lyp_6-31g(d).nwchem.inp (generated) 051000276.b3lyp_6-31g(d).log.xz 051000276.td-b3lyp_6-31g+(d).inp 051000276.td-b3lyp_6-31g+(d).log.xz

051000276.td-b3lyp_6-31+g(d).qchem.inp (generated)

051000276.td-b3lyp_6-31+g(d).gjf (generated)

051000276.td-b3lyp_6-31+g(d).firefly.inp (generated)

051000276.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051000276.mol 051000276.PUBCHEM 051000276.mol (via Jmol)
051000281.b3lyp_6-31g(d).inp

051000281.b3lyp_6-31g(d).qchem.inp (generated)

051000281.b3lyp_6-31g(d).gjf (generated)

051000281.b3lyp_6-31g(d).firefly.inp (generated)

051000281.b3lyp_6-31g(d).smash.inp (generated)

051000281.b3lyp_6-31g(d).nwchem.inp (generated) 051000281.b3lyp_6-31g(d).log.xz 051000281.td-b3lyp_6-31g+(d).inp 051000281.td-b3lyp_6-31g+(d).log.xz

051000281.td-b3lyp_6-31+g(d).qchem.inp (generated)

051000281.td-b3lyp_6-31+g(d).gjf (generated)

051000281.td-b3lyp_6-31+g(d).firefly.inp (generated)

051000281.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051000281.mol 051000281.PUBCHEM 051000281.mol (via Jmol)
051000283.b3lyp_6-31g(d).inp

051000283.b3lyp_6-31g(d).qchem.inp (generated)

051000283.b3lyp_6-31g(d).gjf (generated)

051000283.b3lyp_6-31g(d).firefly.inp (generated)

051000283.b3lyp_6-31g(d).smash.inp (generated)

051000283.b3lyp_6-31g(d).nwchem.inp (generated) 051000283.b3lyp_6-31g(d).log.xz 051000283.td-b3lyp_6-31g+(d).inp 051000283.td-b3lyp_6-31g+(d).log.xz

051000283.td-b3lyp_6-31+g(d).qchem.inp (generated)

051000283.td-b3lyp_6-31+g(d).gjf (generated)

051000283.td-b3lyp_6-31+g(d).firefly.inp (generated)

051000283.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051000283.mol 051000283.PUBCHEM 051000283.mol (via Jmol)
051000285.b3lyp_6-31g(d).inp

051000285.b3lyp_6-31g(d).qchem.inp (generated)

051000285.b3lyp_6-31g(d).gjf (generated)

051000285.b3lyp_6-31g(d).firefly.inp (generated)

051000285.b3lyp_6-31g(d).smash.inp (generated)

051000285.b3lyp_6-31g(d).nwchem.inp (generated) 051000285.b3lyp_6-31g(d).log.xz 051000285.td-b3lyp_6-31g+(d).inp 051000285.td-b3lyp_6-31g+(d).log.xz

051000285.td-b3lyp_6-31+g(d).qchem.inp (generated)

051000285.td-b3lyp_6-31+g(d).gjf (generated)

051000285.td-b3lyp_6-31+g(d).firefly.inp (generated)

051000285.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051000285.mol 051000285.PUBCHEM 051000285.mol (via Jmol)
051000287.b3lyp_6-31g(d).inp

051000287.b3lyp_6-31g(d).qchem.inp (generated)

051000287.b3lyp_6-31g(d).gjf (generated)

051000287.b3lyp_6-31g(d).firefly.inp (generated)

051000287.b3lyp_6-31g(d).smash.inp (generated)

051000287.b3lyp_6-31g(d).nwchem.inp (generated) 051000287.b3lyp_6-31g(d).log.xz 051000287.td-b3lyp_6-31g+(d).inp 051000287.td-b3lyp_6-31g+(d).log.xz

051000287.td-b3lyp_6-31+g(d).qchem.inp (generated)

051000287.td-b3lyp_6-31+g(d).gjf (generated)

051000287.td-b3lyp_6-31+g(d).firefly.inp (generated)

051000287.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051000287.mol 051000287.PUBCHEM 051000287.mol (via Jmol)
051000290.b3lyp_6-31g(d).inp

051000290.b3lyp_6-31g(d).qchem.inp (generated)

051000290.b3lyp_6-31g(d).gjf (generated)

051000290.b3lyp_6-31g(d).firefly.inp (generated)

051000290.b3lyp_6-31g(d).smash.inp (generated)

051000290.b3lyp_6-31g(d).nwchem.inp (generated) 051000290.b3lyp_6-31g(d).log.xz 051000290.td-b3lyp_6-31g+(d).inp 051000290.td-b3lyp_6-31g+(d).log.xz

051000290.td-b3lyp_6-31+g(d).qchem.inp (generated)

051000290.td-b3lyp_6-31+g(d).gjf (generated)

051000290.td-b3lyp_6-31+g(d).firefly.inp (generated)

051000290.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051000290.mol 051000290.PUBCHEM 051000290.mol (via Jmol)
051000291.b3lyp_6-31g(d).inp

051000291.b3lyp_6-31g(d).qchem.inp (generated)

051000291.b3lyp_6-31g(d).gjf (generated)

051000291.b3lyp_6-31g(d).firefly.inp (generated)

051000291.b3lyp_6-31g(d).smash.inp (generated)

051000291.b3lyp_6-31g(d).nwchem.inp (generated) 051000291.b3lyp_6-31g(d).log.xz 051000291.mol 051000291.PUBCHEM 051000291.mol (via Jmol)
051000292.b3lyp_6-31g(d).inp

051000292.b3lyp_6-31g(d).qchem.inp (generated)

051000292.b3lyp_6-31g(d).gjf (generated)

051000292.b3lyp_6-31g(d).firefly.inp (generated)

051000292.b3lyp_6-31g(d).smash.inp (generated)

051000292.b3lyp_6-31g(d).nwchem.inp (generated) 051000292.b3lyp_6-31g(d).log.xz 051000292.td-b3lyp_6-31g+(d).inp 051000292.td-b3lyp_6-31g+(d).log.xz

051000292.td-b3lyp_6-31+g(d).qchem.inp (generated)

051000292.td-b3lyp_6-31+g(d).gjf (generated)

051000292.td-b3lyp_6-31+g(d).firefly.inp (generated)

051000292.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051000292.mol 051000292.PUBCHEM 051000292.mol (via Jmol)
051000293.b3lyp_6-31g(d).inp

051000293.b3lyp_6-31g(d).qchem.inp (generated)

051000293.b3lyp_6-31g(d).gjf (generated)

051000293.b3lyp_6-31g(d).firefly.inp (generated)

051000293.b3lyp_6-31g(d).smash.inp (generated)

051000293.b3lyp_6-31g(d).nwchem.inp (generated) 051000293.b3lyp_6-31g(d).log.xz 051000293.td-b3lyp_6-31g+(d).inp 051000293.td-b3lyp_6-31g+(d).log.xz

051000293.td-b3lyp_6-31+g(d).qchem.inp (generated)

051000293.td-b3lyp_6-31+g(d).gjf (generated)

051000293.td-b3lyp_6-31+g(d).firefly.inp (generated)

051000293.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051000293.mol 051000293.PUBCHEM 051000293.mol (via Jmol)
051000295.b3lyp_6-31g(d).inp

051000295.b3lyp_6-31g(d).qchem.inp (generated)

051000295.b3lyp_6-31g(d).gjf (generated)

051000295.b3lyp_6-31g(d).firefly.inp (generated)

051000295.b3lyp_6-31g(d).smash.inp (generated)

051000295.b3lyp_6-31g(d).nwchem.inp (generated) 051000295.b3lyp_6-31g(d).log.xz 051000295.td-b3lyp_6-31g+(d).inp 051000295.td-b3lyp_6-31g+(d).log.xz

051000295.td-b3lyp_6-31+g(d).qchem.inp (generated)

051000295.td-b3lyp_6-31+g(d).gjf (generated)

051000295.td-b3lyp_6-31+g(d).firefly.inp (generated)

051000295.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051000295.mol 051000295.PUBCHEM 051000295.mol (via Jmol)
051000297.b3lyp_6-31g(d).inp

051000297.b3lyp_6-31g(d).qchem.inp (generated)

051000297.b3lyp_6-31g(d).gjf (generated)

051000297.b3lyp_6-31g(d).firefly.inp (generated)

051000297.b3lyp_6-31g(d).smash.inp (generated)

051000297.b3lyp_6-31g(d).nwchem.inp (generated) 051000297.b3lyp_6-31g(d).log.xz 051000297.td-b3lyp_6-31g+(d).inp 051000297.td-b3lyp_6-31g+(d).log.xz

051000297.td-b3lyp_6-31+g(d).qchem.inp (generated)

051000297.td-b3lyp_6-31+g(d).gjf (generated)

051000297.td-b3lyp_6-31+g(d).firefly.inp (generated)

051000297.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051000297.mol 051000297.PUBCHEM 051000297.mol (via Jmol)
051000298.b3lyp_6-31g(d).inp

051000298.b3lyp_6-31g(d).qchem.inp (generated)

051000298.b3lyp_6-31g(d).gjf (generated)

051000298.b3lyp_6-31g(d).firefly.inp (generated)

051000298.b3lyp_6-31g(d).smash.inp (generated)

051000298.b3lyp_6-31g(d).nwchem.inp (generated) 051000298.b3lyp_6-31g(d).log.xz 051000298.td-b3lyp_6-31g+(d).inp 051000298.td-b3lyp_6-31g+(d).log.xz

051000298.td-b3lyp_6-31+g(d).qchem.inp (generated)

051000298.td-b3lyp_6-31+g(d).gjf (generated)

051000298.td-b3lyp_6-31+g(d).firefly.inp (generated)

051000298.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051000298.mol 051000298.PUBCHEM 051000298.mol (via Jmol)
051000300.b3lyp_6-31g(d).inp

051000300.b3lyp_6-31g(d).qchem.inp (generated)

051000300.b3lyp_6-31g(d).gjf (generated)

051000300.b3lyp_6-31g(d).firefly.inp (generated)

051000300.b3lyp_6-31g(d).smash.inp (generated)

051000300.b3lyp_6-31g(d).nwchem.inp (generated) 051000300.b3lyp_6-31g(d).log.xz 051000300.td-b3lyp_6-31g+(d).inp 051000300.td-b3lyp_6-31g+(d).log.xz

051000300.td-b3lyp_6-31+g(d).qchem.inp (generated)

051000300.td-b3lyp_6-31+g(d).gjf (generated)

051000300.td-b3lyp_6-31+g(d).firefly.inp (generated)

051000300.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051000300.mol 051000300.PUBCHEM 051000300.mol (via Jmol)
051000303.b3lyp_6-31g(d).inp

051000303.b3lyp_6-31g(d).qchem.inp (generated)

051000303.b3lyp_6-31g(d).gjf (generated)

051000303.b3lyp_6-31g(d).firefly.inp (generated)

051000303.b3lyp_6-31g(d).smash.inp (generated)

051000303.b3lyp_6-31g(d).nwchem.inp (generated) 051000303.b3lyp_6-31g(d).log.xz 051000303.td-b3lyp_6-31g+(d).inp 051000303.td-b3lyp_6-31g+(d).log.xz

051000303.td-b3lyp_6-31+g(d).qchem.inp (generated)

051000303.td-b3lyp_6-31+g(d).gjf (generated)

051000303.td-b3lyp_6-31+g(d).firefly.inp (generated)

051000303.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051000303.mol 051000303.PUBCHEM 051000303.mol (via Jmol)
051000304.b3lyp_6-31g(d).inp

051000304.b3lyp_6-31g(d).qchem.inp (generated)

051000304.b3lyp_6-31g(d).gjf (generated)

051000304.b3lyp_6-31g(d).firefly.inp (generated)

051000304.b3lyp_6-31g(d).smash.inp (generated)

051000304.b3lyp_6-31g(d).nwchem.inp (generated) 051000304.b3lyp_6-31g(d).log.xz 051000304.mol 051000304.PUBCHEM 051000304.mol (via Jmol)
051000305.b3lyp_6-31g(d).inp

051000305.b3lyp_6-31g(d).qchem.inp (generated)

051000305.b3lyp_6-31g(d).gjf (generated)

051000305.b3lyp_6-31g(d).firefly.inp (generated)

051000305.b3lyp_6-31g(d).smash.inp (generated)

051000305.b3lyp_6-31g(d).nwchem.inp (generated) 051000305.b3lyp_6-31g(d).log.xz 051000305.td-b3lyp_6-31g+(d).inp 051000305.td-b3lyp_6-31g+(d).log.xz

051000305.td-b3lyp_6-31+g(d).qchem.inp (generated)

051000305.td-b3lyp_6-31+g(d).gjf (generated)

051000305.td-b3lyp_6-31+g(d).firefly.inp (generated)

051000305.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051000305.mol 051000305.PUBCHEM 051000305.mol (via Jmol)
051000306.b3lyp_6-31g(d).inp

051000306.b3lyp_6-31g(d).qchem.inp (generated)

051000306.b3lyp_6-31g(d).gjf (generated)

051000306.b3lyp_6-31g(d).firefly.inp (generated)

051000306.b3lyp_6-31g(d).smash.inp (generated)

051000306.b3lyp_6-31g(d).nwchem.inp (generated) 051000306.b3lyp_6-31g(d).log.xz 051000306.td-b3lyp_6-31g+(d).inp 051000306.td-b3lyp_6-31g+(d).log.xz

051000306.td-b3lyp_6-31+g(d).qchem.inp (generated)

051000306.td-b3lyp_6-31+g(d).gjf (generated)

051000306.td-b3lyp_6-31+g(d).firefly.inp (generated)

051000306.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051000306.mol 051000306.PUBCHEM 051000306.mol (via Jmol)
051000307.b3lyp_6-31g(d).inp

051000307.b3lyp_6-31g(d).qchem.inp (generated)

051000307.b3lyp_6-31g(d).gjf (generated)

051000307.b3lyp_6-31g(d).firefly.inp (generated)

051000307.b3lyp_6-31g(d).smash.inp (generated)

051000307.b3lyp_6-31g(d).nwchem.inp (generated) 051000307.b3lyp_6-31g(d).log.xz 051000307.td-b3lyp_6-31g+(d).inp 051000307.td-b3lyp_6-31g+(d).log.xz

051000307.td-b3lyp_6-31+g(d).qchem.inp (generated)

051000307.td-b3lyp_6-31+g(d).gjf (generated)

051000307.td-b3lyp_6-31+g(d).firefly.inp (generated)

051000307.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051000307.mol 051000307.PUBCHEM 051000307.mol (via Jmol)
051000309.b3lyp_6-31g(d).inp

051000309.b3lyp_6-31g(d).qchem.inp (generated)

051000309.b3lyp_6-31g(d).gjf (generated)

051000309.b3lyp_6-31g(d).firefly.inp (generated)

051000309.b3lyp_6-31g(d).smash.inp (generated)

051000309.b3lyp_6-31g(d).nwchem.inp (generated) 051000309.b3lyp_6-31g(d).log.xz 051000309.td-b3lyp_6-31g+(d).inp 051000309.td-b3lyp_6-31g+(d).log.xz

051000309.td-b3lyp_6-31+g(d).qchem.inp (generated)

051000309.td-b3lyp_6-31+g(d).gjf (generated)

051000309.td-b3lyp_6-31+g(d).firefly.inp (generated)

051000309.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051000309.mol 051000309.PUBCHEM 051000309.mol (via Jmol)
051000310.b3lyp_6-31g(d).inp

051000310.b3lyp_6-31g(d).qchem.inp (generated)

051000310.b3lyp_6-31g(d).gjf (generated)

051000310.b3lyp_6-31g(d).firefly.inp (generated)

051000310.b3lyp_6-31g(d).smash.inp (generated)

051000310.b3lyp_6-31g(d).nwchem.inp (generated) 051000310.b3lyp_6-31g(d).log.xz 051000310.td-b3lyp_6-31g+(d).inp 051000310.td-b3lyp_6-31g+(d).log.xz

051000310.td-b3lyp_6-31+g(d).qchem.inp (generated)

051000310.td-b3lyp_6-31+g(d).gjf (generated)

051000310.td-b3lyp_6-31+g(d).firefly.inp (generated)

051000310.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051000310.mol 051000310.PUBCHEM 051000310.mol (via Jmol)
051000313.b3lyp_6-31g(d).inp

051000313.b3lyp_6-31g(d).qchem.inp (generated)

051000313.b3lyp_6-31g(d).gjf (generated)

051000313.b3lyp_6-31g(d).firefly.inp (generated)

051000313.b3lyp_6-31g(d).smash.inp (generated)

051000313.b3lyp_6-31g(d).nwchem.inp (generated) 051000313.b3lyp_6-31g(d).log.xz 051000313.td-b3lyp_6-31g+(d).inp 051000313.td-b3lyp_6-31g+(d).log.xz

051000313.td-b3lyp_6-31+g(d).qchem.inp (generated)

051000313.td-b3lyp_6-31+g(d).gjf (generated)

051000313.td-b3lyp_6-31+g(d).firefly.inp (generated)

051000313.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051000313.mol 051000313.PUBCHEM 051000313.mol (via Jmol)
051000316.b3lyp_6-31g(d).inp

051000316.b3lyp_6-31g(d).qchem.inp (generated)

051000316.b3lyp_6-31g(d).gjf (generated)

051000316.b3lyp_6-31g(d).firefly.inp (generated)

051000316.b3lyp_6-31g(d).smash.inp (generated)

051000316.b3lyp_6-31g(d).nwchem.inp (generated) 051000316.b3lyp_6-31g(d).log.xz 051000316.td-b3lyp_6-31g+(d).inp 051000316.td-b3lyp_6-31g+(d).log.xz

051000316.td-b3lyp_6-31+g(d).qchem.inp (generated)

051000316.td-b3lyp_6-31+g(d).gjf (generated)

051000316.td-b3lyp_6-31+g(d).firefly.inp (generated)

051000316.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051000316.mol 051000316.PUBCHEM 051000316.mol (via Jmol)
051000319.b3lyp_6-31g(d).inp

051000319.b3lyp_6-31g(d).qchem.inp (generated)

051000319.b3lyp_6-31g(d).gjf (generated)

051000319.b3lyp_6-31g(d).firefly.inp (generated)

051000319.b3lyp_6-31g(d).smash.inp (generated)

051000319.b3lyp_6-31g(d).nwchem.inp (generated) 051000319.b3lyp_6-31g(d).log.xz 051000319.mol 051000319.PUBCHEM 051000319.mol (via Jmol)
051000320.b3lyp_6-31g(d).inp

051000320.b3lyp_6-31g(d).qchem.inp (generated)

051000320.b3lyp_6-31g(d).gjf (generated)

051000320.b3lyp_6-31g(d).firefly.inp (generated)

051000320.b3lyp_6-31g(d).smash.inp (generated)

051000320.b3lyp_6-31g(d).nwchem.inp (generated) 051000320.b3lyp_6-31g(d).log.xz 051000320.mol 051000320.PUBCHEM 051000320.mol (via Jmol)
051000321.b3lyp_6-31g(d).inp

051000321.b3lyp_6-31g(d).qchem.inp (generated)

051000321.b3lyp_6-31g(d).gjf (generated)

051000321.b3lyp_6-31g(d).firefly.inp (generated)

051000321.b3lyp_6-31g(d).smash.inp (generated)

051000321.b3lyp_6-31g(d).nwchem.inp (generated) 051000321.b3lyp_6-31g(d).log.xz 051000321.td-b3lyp_6-31g+(d).inp 051000321.td-b3lyp_6-31g+(d).log.xz

051000321.td-b3lyp_6-31+g(d).qchem.inp (generated)

051000321.td-b3lyp_6-31+g(d).gjf (generated)

051000321.td-b3lyp_6-31+g(d).firefly.inp (generated)

051000321.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051000321.mol 051000321.PUBCHEM 051000321.mol (via Jmol)
051000323.b3lyp_6-31g(d).inp

051000323.b3lyp_6-31g(d).qchem.inp (generated)

051000323.b3lyp_6-31g(d).gjf (generated)

051000323.b3lyp_6-31g(d).firefly.inp (generated)

051000323.b3lyp_6-31g(d).smash.inp (generated)

051000323.b3lyp_6-31g(d).nwchem.inp (generated) 051000323.b3lyp_6-31g(d).log.xz 051000323.mol 051000323.PUBCHEM 051000323.mol (via Jmol)
051000326.b3lyp_6-31g(d).inp

051000326.b3lyp_6-31g(d).qchem.inp (generated)

051000326.b3lyp_6-31g(d).gjf (generated)

051000326.b3lyp_6-31g(d).firefly.inp (generated)

051000326.b3lyp_6-31g(d).smash.inp (generated)

051000326.b3lyp_6-31g(d).nwchem.inp (generated) 051000326.b3lyp_6-31g(d).log.xz 051000326.td-b3lyp_6-31g+(d).inp 051000326.td-b3lyp_6-31g+(d).log.xz

051000326.td-b3lyp_6-31+g(d).qchem.inp (generated)

051000326.td-b3lyp_6-31+g(d).gjf (generated)

051000326.td-b3lyp_6-31+g(d).firefly.inp (generated)

051000326.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051000326.mol 051000326.PUBCHEM 051000326.mol (via Jmol)
051000328.b3lyp_6-31g(d).inp

051000328.b3lyp_6-31g(d).qchem.inp (generated)

051000328.b3lyp_6-31g(d).gjf (generated)

051000328.b3lyp_6-31g(d).firefly.inp (generated)

051000328.b3lyp_6-31g(d).smash.inp (generated)

051000328.b3lyp_6-31g(d).nwchem.inp (generated) 051000328.b3lyp_6-31g(d).log.xz 051000328.td-b3lyp_6-31g+(d).inp 051000328.td-b3lyp_6-31g+(d).log.xz

051000328.td-b3lyp_6-31+g(d).qchem.inp (generated)

051000328.td-b3lyp_6-31+g(d).gjf (generated)

051000328.td-b3lyp_6-31+g(d).firefly.inp (generated)

051000328.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051000328.mol 051000328.PUBCHEM 051000328.mol (via Jmol)
051000331.b3lyp_6-31g(d).inp

051000331.b3lyp_6-31g(d).qchem.inp (generated)

051000331.b3lyp_6-31g(d).gjf (generated)

051000331.b3lyp_6-31g(d).firefly.inp (generated)

051000331.b3lyp_6-31g(d).smash.inp (generated)

051000331.b3lyp_6-31g(d).nwchem.inp (generated) 051000331.b3lyp_6-31g(d).log.xz 051000331.td-b3lyp_6-31g+(d).inp 051000331.td-b3lyp_6-31g+(d).log.xz

051000331.td-b3lyp_6-31+g(d).qchem.inp (generated)

051000331.td-b3lyp_6-31+g(d).gjf (generated)

051000331.td-b3lyp_6-31+g(d).firefly.inp (generated)

051000331.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051000331.mol 051000331.PUBCHEM 051000331.mol (via Jmol)
051000335.b3lyp_6-31g(d).inp

051000335.b3lyp_6-31g(d).qchem.inp (generated)

051000335.b3lyp_6-31g(d).gjf (generated)

051000335.b3lyp_6-31g(d).firefly.inp (generated)

051000335.b3lyp_6-31g(d).smash.inp (generated)

051000335.b3lyp_6-31g(d).nwchem.inp (generated) 051000335.b3lyp_6-31g(d).log.xz 051000335.td-b3lyp_6-31g+(d).inp 051000335.td-b3lyp_6-31g+(d).log.xz

051000335.td-b3lyp_6-31+g(d).qchem.inp (generated)

051000335.td-b3lyp_6-31+g(d).gjf (generated)

051000335.td-b3lyp_6-31+g(d).firefly.inp (generated)

051000335.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051000335.mol 051000335.PUBCHEM 051000335.mol (via Jmol)
051000338.b3lyp_6-31g(d).inp

051000338.b3lyp_6-31g(d).qchem.inp (generated)

051000338.b3lyp_6-31g(d).gjf (generated)

051000338.b3lyp_6-31g(d).firefly.inp (generated)

051000338.b3lyp_6-31g(d).smash.inp (generated)

051000338.b3lyp_6-31g(d).nwchem.inp (generated) 051000338.b3lyp_6-31g(d).log.xz 051000338.td-b3lyp_6-31g+(d).inp 051000338.td-b3lyp_6-31g+(d).log.xz

051000338.td-b3lyp_6-31+g(d).qchem.inp (generated)

051000338.td-b3lyp_6-31+g(d).gjf (generated)

051000338.td-b3lyp_6-31+g(d).firefly.inp (generated)

051000338.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051000338.mol 051000338.PUBCHEM 051000338.mol (via Jmol)
051000339.b3lyp_6-31g(d).inp

051000339.b3lyp_6-31g(d).qchem.inp (generated)

051000339.b3lyp_6-31g(d).gjf (generated)

051000339.b3lyp_6-31g(d).firefly.inp (generated)

051000339.b3lyp_6-31g(d).smash.inp (generated)

051000339.b3lyp_6-31g(d).nwchem.inp (generated) 051000339.b3lyp_6-31g(d).log.xz 051000339.td-b3lyp_6-31g+(d).inp 051000339.td-b3lyp_6-31g+(d).log.xz

051000339.td-b3lyp_6-31+g(d).qchem.inp (generated)

051000339.td-b3lyp_6-31+g(d).gjf (generated)

051000339.td-b3lyp_6-31+g(d).firefly.inp (generated)

051000339.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051000339.mol 051000339.PUBCHEM 051000339.mol (via Jmol)
051000343.b3lyp_6-31g(d).inp

051000343.b3lyp_6-31g(d).qchem.inp (generated)

051000343.b3lyp_6-31g(d).gjf (generated)

051000343.b3lyp_6-31g(d).firefly.inp (generated)

051000343.b3lyp_6-31g(d).smash.inp (generated)

051000343.b3lyp_6-31g(d).nwchem.inp (generated) 051000343.b3lyp_6-31g(d).log.xz 051000343.td-b3lyp_6-31g+(d).inp 051000343.td-b3lyp_6-31g+(d).log.xz

051000343.td-b3lyp_6-31+g(d).qchem.inp (generated)

051000343.td-b3lyp_6-31+g(d).gjf (generated)

051000343.td-b3lyp_6-31+g(d).firefly.inp (generated)

051000343.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051000343.mol 051000343.PUBCHEM 051000343.mol (via Jmol)
051000344.b3lyp_6-31g(d).inp

051000344.b3lyp_6-31g(d).qchem.inp (generated)

051000344.b3lyp_6-31g(d).gjf (generated)

051000344.b3lyp_6-31g(d).firefly.inp (generated)

051000344.b3lyp_6-31g(d).smash.inp (generated)

051000344.b3lyp_6-31g(d).nwchem.inp (generated) 051000344.b3lyp_6-31g(d).log.xz 051000344.td-b3lyp_6-31g+(d).inp 051000344.td-b3lyp_6-31g+(d).log.xz

051000344.td-b3lyp_6-31+g(d).qchem.inp (generated)

051000344.td-b3lyp_6-31+g(d).gjf (generated)

051000344.td-b3lyp_6-31+g(d).firefly.inp (generated)

051000344.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051000344.mol 051000344.PUBCHEM 051000344.mol (via Jmol)
051000345.b3lyp_6-31g(d).inp

051000345.b3lyp_6-31g(d).qchem.inp (generated)

051000345.b3lyp_6-31g(d).gjf (generated)

051000345.b3lyp_6-31g(d).firefly.inp (generated)

051000345.b3lyp_6-31g(d).smash.inp (generated)

051000345.b3lyp_6-31g(d).nwchem.inp (generated) 051000345.b3lyp_6-31g(d).log.xz 051000345.td-b3lyp_6-31g+(d).inp 051000345.td-b3lyp_6-31g+(d).log.xz

051000345.td-b3lyp_6-31+g(d).qchem.inp (generated)

051000345.td-b3lyp_6-31+g(d).gjf (generated)

051000345.td-b3lyp_6-31+g(d).firefly.inp (generated)

051000345.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051000345.mol 051000345.PUBCHEM 051000345.mol (via Jmol)
051000346.b3lyp_6-31g(d).inp

051000346.b3lyp_6-31g(d).qchem.inp (generated)

051000346.b3lyp_6-31g(d).gjf (generated)

051000346.b3lyp_6-31g(d).firefly.inp (generated)

051000346.b3lyp_6-31g(d).smash.inp (generated)

051000346.b3lyp_6-31g(d).nwchem.inp (generated) 051000346.b3lyp_6-31g(d).log.xz 051000346.mol 051000346.PUBCHEM 051000346.mol (via Jmol)
051000348.b3lyp_6-31g(d).inp

051000348.b3lyp_6-31g(d).qchem.inp (generated)

051000348.b3lyp_6-31g(d).gjf (generated)

051000348.b3lyp_6-31g(d).firefly.inp (generated)

051000348.b3lyp_6-31g(d).smash.inp (generated)

051000348.b3lyp_6-31g(d).nwchem.inp (generated) 051000348.b3lyp_6-31g(d).log.xz 051000348.td-b3lyp_6-31g+(d).inp 051000348.td-b3lyp_6-31g+(d).log.xz

051000348.td-b3lyp_6-31+g(d).qchem.inp (generated)

051000348.td-b3lyp_6-31+g(d).gjf (generated)

051000348.td-b3lyp_6-31+g(d).firefly.inp (generated)

051000348.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051000348.mol 051000348.PUBCHEM 051000348.mol (via Jmol)
051000349.b3lyp_6-31g(d).inp

051000349.b3lyp_6-31g(d).qchem.inp (generated)

051000349.b3lyp_6-31g(d).gjf (generated)

051000349.b3lyp_6-31g(d).firefly.inp (generated)

051000349.b3lyp_6-31g(d).smash.inp (generated)

051000349.b3lyp_6-31g(d).nwchem.inp (generated) 051000349.b3lyp_6-31g(d).log.xz 051000349.td-b3lyp_6-31g+(d).inp 051000349.td-b3lyp_6-31g+(d).log.xz

051000349.td-b3lyp_6-31+g(d).qchem.inp (generated)

051000349.td-b3lyp_6-31+g(d).gjf (generated)

051000349.td-b3lyp_6-31+g(d).firefly.inp (generated)

051000349.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051000349.mol 051000349.PUBCHEM 051000349.mol (via Jmol)
051000351.b3lyp_6-31g(d).inp

051000351.b3lyp_6-31g(d).qchem.inp (generated)

051000351.b3lyp_6-31g(d).gjf (generated)

051000351.b3lyp_6-31g(d).firefly.inp (generated)

051000351.b3lyp_6-31g(d).smash.inp (generated)

051000351.b3lyp_6-31g(d).nwchem.inp (generated) 051000351.b3lyp_6-31g(d).log.xz 051000351.td-b3lyp_6-31g+(d).inp 051000351.td-b3lyp_6-31g+(d).log.xz

051000351.td-b3lyp_6-31+g(d).qchem.inp (generated)

051000351.td-b3lyp_6-31+g(d).gjf (generated)

051000351.td-b3lyp_6-31+g(d).firefly.inp (generated)

051000351.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051000351.mol 051000351.PUBCHEM 051000351.mol (via Jmol)
051000357.b3lyp_6-31g(d).inp

051000357.b3lyp_6-31g(d).qchem.inp (generated)

051000357.b3lyp_6-31g(d).gjf (generated)

051000357.b3lyp_6-31g(d).firefly.inp (generated)

051000357.b3lyp_6-31g(d).smash.inp (generated)

051000357.b3lyp_6-31g(d).nwchem.inp (generated) 051000357.b3lyp_6-31g(d).log.xz 051000357.td-b3lyp_6-31g+(d).inp 051000357.td-b3lyp_6-31g+(d).log.xz

051000357.td-b3lyp_6-31+g(d).qchem.inp (generated)

051000357.td-b3lyp_6-31+g(d).gjf (generated)

051000357.td-b3lyp_6-31+g(d).firefly.inp (generated)

051000357.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051000357.mol 051000357.PUBCHEM 051000357.mol (via Jmol)
051000359.b3lyp_6-31g(d).inp

051000359.b3lyp_6-31g(d).qchem.inp (generated)

051000359.b3lyp_6-31g(d).gjf (generated)

051000359.b3lyp_6-31g(d).firefly.inp (generated)

051000359.b3lyp_6-31g(d).smash.inp (generated)

051000359.b3lyp_6-31g(d).nwchem.inp (generated) 051000359.b3lyp_6-31g(d).log.xz 051000359.td-b3lyp_6-31g+(d).inp 051000359.td-b3lyp_6-31g+(d).log.xz

051000359.td-b3lyp_6-31+g(d).qchem.inp (generated)

051000359.td-b3lyp_6-31+g(d).gjf (generated)

051000359.td-b3lyp_6-31+g(d).firefly.inp (generated)

051000359.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051000359.mol 051000359.PUBCHEM 051000359.mol (via Jmol)
051000362.b3lyp_6-31g(d).inp

051000362.b3lyp_6-31g(d).qchem.inp (generated)

051000362.b3lyp_6-31g(d).gjf (generated)

051000362.b3lyp_6-31g(d).firefly.inp (generated)

051000362.b3lyp_6-31g(d).smash.inp (generated)

051000362.b3lyp_6-31g(d).nwchem.inp (generated) 051000362.b3lyp_6-31g(d).log.xz 051000362.td-b3lyp_6-31g+(d).inp 051000362.td-b3lyp_6-31g+(d).log.xz

051000362.td-b3lyp_6-31+g(d).qchem.inp (generated)

051000362.td-b3lyp_6-31+g(d).gjf (generated)

051000362.td-b3lyp_6-31+g(d).firefly.inp (generated)

051000362.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051000362.mol 051000362.PUBCHEM 051000362.mol (via Jmol)
051000365.b3lyp_6-31g(d).inp

051000365.b3lyp_6-31g(d).qchem.inp (generated)

051000365.b3lyp_6-31g(d).gjf (generated)

051000365.b3lyp_6-31g(d).firefly.inp (generated)

051000365.b3lyp_6-31g(d).smash.inp (generated)

051000365.b3lyp_6-31g(d).nwchem.inp (generated) 051000365.b3lyp_6-31g(d).log.xz 051000365.mol 051000365.PUBCHEM 051000365.mol (via Jmol)
051000367.b3lyp_6-31g(d).inp

051000367.b3lyp_6-31g(d).qchem.inp (generated)

051000367.b3lyp_6-31g(d).gjf (generated)

051000367.b3lyp_6-31g(d).firefly.inp (generated)

051000367.b3lyp_6-31g(d).smash.inp (generated)

051000367.b3lyp_6-31g(d).nwchem.inp (generated) 051000367.b3lyp_6-31g(d).log.xz 051000367.mol 051000367.PUBCHEM 051000367.mol (via Jmol)
051000368.b3lyp_6-31g(d).inp

051000368.b3lyp_6-31g(d).qchem.inp (generated)

051000368.b3lyp_6-31g(d).gjf (generated)

051000368.b3lyp_6-31g(d).firefly.inp (generated)

051000368.b3lyp_6-31g(d).smash.inp (generated)

051000368.b3lyp_6-31g(d).nwchem.inp (generated) 051000368.b3lyp_6-31g(d).log.xz 051000368.td-b3lyp_6-31g+(d).inp 051000368.td-b3lyp_6-31g+(d).log.xz

051000368.td-b3lyp_6-31+g(d).qchem.inp (generated)

051000368.td-b3lyp_6-31+g(d).gjf (generated)

051000368.td-b3lyp_6-31+g(d).firefly.inp (generated)

051000368.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051000368.mol 051000368.PUBCHEM 051000368.mol (via Jmol)
051000371.b3lyp_6-31g(d).inp

051000371.b3lyp_6-31g(d).qchem.inp (generated)

051000371.b3lyp_6-31g(d).gjf (generated)

051000371.b3lyp_6-31g(d).firefly.inp (generated)

051000371.b3lyp_6-31g(d).smash.inp (generated)

051000371.b3lyp_6-31g(d).nwchem.inp (generated) 051000371.b3lyp_6-31g(d).log.xz 051000371.td-b3lyp_6-31g+(d).inp 051000371.td-b3lyp_6-31g+(d).log.xz

051000371.td-b3lyp_6-31+g(d).qchem.inp (generated)

051000371.td-b3lyp_6-31+g(d).gjf (generated)

051000371.td-b3lyp_6-31+g(d).firefly.inp (generated)

051000371.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051000371.mol 051000371.PUBCHEM 051000371.mol (via Jmol)
051000372.b3lyp_6-31g(d).inp

051000372.b3lyp_6-31g(d).qchem.inp (generated)

051000372.b3lyp_6-31g(d).gjf (generated)

051000372.b3lyp_6-31g(d).firefly.inp (generated)

051000372.b3lyp_6-31g(d).smash.inp (generated)

051000372.b3lyp_6-31g(d).nwchem.inp (generated) 051000372.b3lyp_6-31g(d).log.xz 051000372.td-b3lyp_6-31g+(d).inp 051000372.td-b3lyp_6-31g+(d).log.xz

051000372.td-b3lyp_6-31+g(d).qchem.inp (generated)

051000372.td-b3lyp_6-31+g(d).gjf (generated)

051000372.td-b3lyp_6-31+g(d).firefly.inp (generated)

051000372.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051000372.mol 051000372.PUBCHEM 051000372.mol (via Jmol)
051000375.b3lyp_6-31g(d).inp

051000375.b3lyp_6-31g(d).qchem.inp (generated)

051000375.b3lyp_6-31g(d).gjf (generated)

051000375.b3lyp_6-31g(d).firefly.inp (generated)

051000375.b3lyp_6-31g(d).smash.inp (generated)

051000375.b3lyp_6-31g(d).nwchem.inp (generated) 051000375.b3lyp_6-31g(d).log.xz 051000375.td-b3lyp_6-31g+(d).inp 051000375.td-b3lyp_6-31g+(d).log.xz

051000375.td-b3lyp_6-31+g(d).qchem.inp (generated)

051000375.td-b3lyp_6-31+g(d).gjf (generated)

051000375.td-b3lyp_6-31+g(d).firefly.inp (generated)

051000375.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051000375.mol 051000375.PUBCHEM 051000375.mol (via Jmol)
051000378.b3lyp_6-31g(d).inp

051000378.b3lyp_6-31g(d).qchem.inp (generated)

051000378.b3lyp_6-31g(d).gjf (generated)

051000378.b3lyp_6-31g(d).firefly.inp (generated)

051000378.b3lyp_6-31g(d).smash.inp (generated)

051000378.b3lyp_6-31g(d).nwchem.inp (generated) 051000378.b3lyp_6-31g(d).log.xz 051000378.td-b3lyp_6-31g+(d).inp 051000378.td-b3lyp_6-31g+(d).log.xz

051000378.td-b3lyp_6-31+g(d).qchem.inp (generated)

051000378.td-b3lyp_6-31+g(d).gjf (generated)

051000378.td-b3lyp_6-31+g(d).firefly.inp (generated)

051000378.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051000378.mol 051000378.PUBCHEM 051000378.mol (via Jmol)
051000383.b3lyp_6-31g(d).inp

051000383.b3lyp_6-31g(d).qchem.inp (generated)

051000383.b3lyp_6-31g(d).gjf (generated)

051000383.b3lyp_6-31g(d).firefly.inp (generated)

051000383.b3lyp_6-31g(d).smash.inp (generated)

051000383.b3lyp_6-31g(d).nwchem.inp (generated) 051000383.b3lyp_6-31g(d).log.xz 051000383.td-b3lyp_6-31g+(d).inp 051000383.td-b3lyp_6-31g+(d).log.xz

051000383.td-b3lyp_6-31+g(d).qchem.inp (generated)

051000383.td-b3lyp_6-31+g(d).gjf (generated)

051000383.td-b3lyp_6-31+g(d).firefly.inp (generated)

051000383.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051000383.mol 051000383.PUBCHEM 051000383.mol (via Jmol)
051000387.b3lyp_6-31g(d).inp

051000387.b3lyp_6-31g(d).qchem.inp (generated)

051000387.b3lyp_6-31g(d).gjf (generated)

051000387.b3lyp_6-31g(d).firefly.inp (generated)

051000387.b3lyp_6-31g(d).smash.inp (generated)

051000387.b3lyp_6-31g(d).nwchem.inp (generated) 051000387.b3lyp_6-31g(d).log.xz 051000387.td-b3lyp_6-31g+(d).inp 051000387.td-b3lyp_6-31g+(d).log.xz

051000387.td-b3lyp_6-31+g(d).qchem.inp (generated)

051000387.td-b3lyp_6-31+g(d).gjf (generated)

051000387.td-b3lyp_6-31+g(d).firefly.inp (generated)

051000387.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051000387.mol 051000387.PUBCHEM 051000387.mol (via Jmol)
051000390.b3lyp_6-31g(d).inp

051000390.b3lyp_6-31g(d).qchem.inp (generated)

051000390.b3lyp_6-31g(d).gjf (generated)

051000390.b3lyp_6-31g(d).firefly.inp (generated)

051000390.b3lyp_6-31g(d).smash.inp (generated)

051000390.b3lyp_6-31g(d).nwchem.inp (generated) 051000390.b3lyp_6-31g(d).log.xz 051000390.td-b3lyp_6-31g+(d).inp 051000390.td-b3lyp_6-31g+(d).log.xz

051000390.td-b3lyp_6-31+g(d).qchem.inp (generated)

051000390.td-b3lyp_6-31+g(d).gjf (generated)

051000390.td-b3lyp_6-31+g(d).firefly.inp (generated)

051000390.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051000390.mol 051000390.PUBCHEM 051000390.mol (via Jmol)
051000391.b3lyp_6-31g(d).inp

051000391.b3lyp_6-31g(d).qchem.inp (generated)

051000391.b3lyp_6-31g(d).gjf (generated)

051000391.b3lyp_6-31g(d).firefly.inp (generated)

051000391.b3lyp_6-31g(d).smash.inp (generated)

051000391.b3lyp_6-31g(d).nwchem.inp (generated) 051000391.b3lyp_6-31g(d).log.xz 051000391.td-b3lyp_6-31g+(d).inp 051000391.td-b3lyp_6-31g+(d).log.xz

051000391.td-b3lyp_6-31+g(d).qchem.inp (generated)

051000391.td-b3lyp_6-31+g(d).gjf (generated)

051000391.td-b3lyp_6-31+g(d).firefly.inp (generated)

051000391.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051000391.mol 051000391.PUBCHEM 051000391.mol (via Jmol)
051000392.b3lyp_6-31g(d).inp

051000392.b3lyp_6-31g(d).qchem.inp (generated)

051000392.b3lyp_6-31g(d).gjf (generated)

051000392.b3lyp_6-31g(d).firefly.inp (generated)

051000392.b3lyp_6-31g(d).smash.inp (generated)

051000392.b3lyp_6-31g(d).nwchem.inp (generated) 051000392.b3lyp_6-31g(d).log.xz 051000392.td-b3lyp_6-31g+(d).inp 051000392.td-b3lyp_6-31g+(d).log.xz

051000392.td-b3lyp_6-31+g(d).qchem.inp (generated)

051000392.td-b3lyp_6-31+g(d).gjf (generated)

051000392.td-b3lyp_6-31+g(d).firefly.inp (generated)

051000392.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051000392.mol 051000392.PUBCHEM 051000392.mol (via Jmol)
051000394.b3lyp_6-31g(d).inp

051000394.b3lyp_6-31g(d).qchem.inp (generated)

051000394.b3lyp_6-31g(d).gjf (generated)

051000394.b3lyp_6-31g(d).firefly.inp (generated)

051000394.b3lyp_6-31g(d).smash.inp (generated)

051000394.b3lyp_6-31g(d).nwchem.inp (generated) 051000394.b3lyp_6-31g(d).log.xz 051000394.td-b3lyp_6-31g+(d).inp 051000394.td-b3lyp_6-31g+(d).log.xz

051000394.td-b3lyp_6-31+g(d).qchem.inp (generated)

051000394.td-b3lyp_6-31+g(d).gjf (generated)

051000394.td-b3lyp_6-31+g(d).firefly.inp (generated)

051000394.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051000394.mol 051000394.PUBCHEM 051000394.mol (via Jmol)
051000395.b3lyp_6-31g(d).inp

051000395.b3lyp_6-31g(d).qchem.inp (generated)

051000395.b3lyp_6-31g(d).gjf (generated)

051000395.b3lyp_6-31g(d).firefly.inp (generated)

051000395.b3lyp_6-31g(d).smash.inp (generated)

051000395.b3lyp_6-31g(d).nwchem.inp (generated) 051000395.b3lyp_6-31g(d).log.xz 051000395.td-b3lyp_6-31g+(d).inp 051000395.td-b3lyp_6-31g+(d).log.xz

051000395.td-b3lyp_6-31+g(d).qchem.inp (generated)

051000395.td-b3lyp_6-31+g(d).gjf (generated)

051000395.td-b3lyp_6-31+g(d).firefly.inp (generated)

051000395.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051000395.mol 051000395.PUBCHEM 051000395.mol (via Jmol)
051000396.b3lyp_6-31g(d).inp

051000396.b3lyp_6-31g(d).qchem.inp (generated)

051000396.b3lyp_6-31g(d).gjf (generated)

051000396.b3lyp_6-31g(d).firefly.inp (generated)

051000396.b3lyp_6-31g(d).smash.inp (generated)

051000396.b3lyp_6-31g(d).nwchem.inp (generated) 051000396.b3lyp_6-31g(d).log.xz 051000396.mol 051000396.PUBCHEM 051000396.mol (via Jmol)
051000399.b3lyp_6-31g(d).inp

051000399.b3lyp_6-31g(d).qchem.inp (generated)

051000399.b3lyp_6-31g(d).gjf (generated)

051000399.b3lyp_6-31g(d).firefly.inp (generated)

051000399.b3lyp_6-31g(d).smash.inp (generated)

051000399.b3lyp_6-31g(d).nwchem.inp (generated) 051000399.b3lyp_6-31g(d).log.xz 051000399.td-b3lyp_6-31g+(d).inp 051000399.td-b3lyp_6-31g+(d).log.xz

051000399.td-b3lyp_6-31+g(d).qchem.inp (generated)

051000399.td-b3lyp_6-31+g(d).gjf (generated)

051000399.td-b3lyp_6-31+g(d).firefly.inp (generated)

051000399.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051000399.mol 051000399.PUBCHEM 051000399.mol (via Jmol)
051000402.b3lyp_6-31g(d).inp

051000402.b3lyp_6-31g(d).qchem.inp (generated)

051000402.b3lyp_6-31g(d).gjf (generated)

051000402.b3lyp_6-31g(d).firefly.inp (generated)

051000402.b3lyp_6-31g(d).smash.inp (generated)

051000402.b3lyp_6-31g(d).nwchem.inp (generated) 051000402.b3lyp_6-31g(d).log.xz 051000402.td-b3lyp_6-31g+(d).inp 051000402.td-b3lyp_6-31g+(d).log.xz

051000402.td-b3lyp_6-31+g(d).qchem.inp (generated)

051000402.td-b3lyp_6-31+g(d).gjf (generated)

051000402.td-b3lyp_6-31+g(d).firefly.inp (generated)

051000402.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051000402.mol 051000402.PUBCHEM 051000402.mol (via Jmol)
051000406.b3lyp_6-31g(d).inp

051000406.b3lyp_6-31g(d).qchem.inp (generated)

051000406.b3lyp_6-31g(d).gjf (generated)

051000406.b3lyp_6-31g(d).firefly.inp (generated)

051000406.b3lyp_6-31g(d).smash.inp (generated)

051000406.b3lyp_6-31g(d).nwchem.inp (generated) 051000406.b3lyp_6-31g(d).log.xz 051000406.td-b3lyp_6-31g+(d).inp 051000406.td-b3lyp_6-31g+(d).log.xz

051000406.td-b3lyp_6-31+g(d).qchem.inp (generated)

051000406.td-b3lyp_6-31+g(d).gjf (generated)

051000406.td-b3lyp_6-31+g(d).firefly.inp (generated)

051000406.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051000406.mol 051000406.PUBCHEM 051000406.mol (via Jmol)
051000666.b3lyp_6-31g(d).inp

051000666.b3lyp_6-31g(d).qchem.inp (generated)

051000666.b3lyp_6-31g(d).gjf (generated)

051000666.b3lyp_6-31g(d).firefly.inp (generated)

051000666.b3lyp_6-31g(d).smash.inp (generated)

051000666.b3lyp_6-31g(d).nwchem.inp (generated) 051000666.b3lyp_6-31g(d).log.xz 051000666.td-b3lyp_6-31g+(d).inp 051000666.td-b3lyp_6-31g+(d).log.xz

051000666.td-b3lyp_6-31+g(d).qchem.inp (generated)

051000666.td-b3lyp_6-31+g(d).gjf (generated)

051000666.td-b3lyp_6-31+g(d).firefly.inp (generated)

051000666.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051000666.mol 051000666.PUBCHEM 051000666.mol (via Jmol)
051000728.b3lyp_6-31g(d).inp

051000728.b3lyp_6-31g(d).qchem.inp (generated)

051000728.b3lyp_6-31g(d).gjf (generated)

051000728.b3lyp_6-31g(d).firefly.inp (generated)

051000728.b3lyp_6-31g(d).smash.inp (generated)

051000728.b3lyp_6-31g(d).nwchem.inp (generated) 051000728.b3lyp_6-31g(d).log.xz 051000728.td-b3lyp_6-31g+(d).inp 051000728.td-b3lyp_6-31g+(d).log.xz

051000728.td-b3lyp_6-31+g(d).qchem.inp (generated)

051000728.td-b3lyp_6-31+g(d).gjf (generated)

051000728.td-b3lyp_6-31+g(d).firefly.inp (generated)

051000728.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051000728.mol 051000728.PUBCHEM 051000728.mol (via Jmol)
051000947.b3lyp_6-31g(d).inp

051000947.b3lyp_6-31g(d).qchem.inp (generated)

051000947.b3lyp_6-31g(d).gjf (generated)

051000947.b3lyp_6-31g(d).firefly.inp (generated)

051000947.b3lyp_6-31g(d).smash.inp (generated)

051000947.b3lyp_6-31g(d).nwchem.inp (generated) 051000947.b3lyp_6-31g(d).log.xz 051000947.td-b3lyp_6-31g+(d).inp 051000947.td-b3lyp_6-31g+(d).log.xz

051000947.td-b3lyp_6-31+g(d).qchem.inp (generated)

051000947.td-b3lyp_6-31+g(d).gjf (generated)

051000947.td-b3lyp_6-31+g(d).firefly.inp (generated)

051000947.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051000947.mol 051000947.PUBCHEM 051000947.mol (via Jmol)
051001186.b3lyp_6-31g(d).inp

051001186.b3lyp_6-31g(d).qchem.inp (generated)

051001186.b3lyp_6-31g(d).gjf (generated)

051001186.b3lyp_6-31g(d).firefly.inp (generated)

051001186.b3lyp_6-31g(d).smash.inp (generated)

051001186.b3lyp_6-31g(d).nwchem.inp (generated) 051001186.b3lyp_6-31g(d).log.xz 051001186.td-b3lyp_6-31g+(d).inp 051001186.td-b3lyp_6-31g+(d).log.xz

051001186.td-b3lyp_6-31+g(d).qchem.inp (generated)

051001186.td-b3lyp_6-31+g(d).gjf (generated)

051001186.td-b3lyp_6-31+g(d).firefly.inp (generated)

051001186.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051001186.mol 051001186.PUBCHEM 051001186.mol (via Jmol)
051001188.b3lyp_6-31g(d).inp

051001188.b3lyp_6-31g(d).qchem.inp (generated)

051001188.b3lyp_6-31g(d).gjf (generated)

051001188.b3lyp_6-31g(d).firefly.inp (generated)

051001188.b3lyp_6-31g(d).smash.inp (generated)

051001188.b3lyp_6-31g(d).nwchem.inp (generated) 051001188.b3lyp_6-31g(d).log.xz 051001188.mol 051001188.PUBCHEM 051001188.mol (via Jmol)
051001637.b3lyp_6-31g(d).inp

051001637.b3lyp_6-31g(d).qchem.inp (generated)

051001637.b3lyp_6-31g(d).gjf (generated)

051001637.b3lyp_6-31g(d).firefly.inp (generated)

051001637.b3lyp_6-31g(d).smash.inp (generated)

051001637.b3lyp_6-31g(d).nwchem.inp (generated) 051001637.b3lyp_6-31g(d).log.xz 051001637.td-b3lyp_6-31g+(d).inp 051001637.td-b3lyp_6-31g+(d).log.xz

051001637.td-b3lyp_6-31+g(d).qchem.inp (generated)

051001637.td-b3lyp_6-31+g(d).gjf (generated)

051001637.td-b3lyp_6-31+g(d).firefly.inp (generated)

051001637.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051001637.mol 051001637.PUBCHEM 051001637.mol (via Jmol)
051002346.b3lyp_6-31g(d).inp

051002346.b3lyp_6-31g(d).qchem.inp (generated)

051002346.b3lyp_6-31g(d).gjf (generated)

051002346.b3lyp_6-31g(d).firefly.inp (generated)

051002346.b3lyp_6-31g(d).smash.inp (generated)

051002346.b3lyp_6-31g(d).nwchem.inp (generated) 051002346.b3lyp_6-31g(d).log.xz 051002346.td-b3lyp_6-31g+(d).inp 051002346.td-b3lyp_6-31g+(d).log.xz

051002346.td-b3lyp_6-31+g(d).qchem.inp (generated)

051002346.td-b3lyp_6-31+g(d).gjf (generated)

051002346.td-b3lyp_6-31+g(d).firefly.inp (generated)

051002346.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051002346.mol 051002346.PUBCHEM 051002346.mol (via Jmol)
051002347.b3lyp_6-31g(d).inp

051002347.b3lyp_6-31g(d).qchem.inp (generated)

051002347.b3lyp_6-31g(d).gjf (generated)

051002347.b3lyp_6-31g(d).firefly.inp (generated)

051002347.b3lyp_6-31g(d).smash.inp (generated)

051002347.b3lyp_6-31g(d).nwchem.inp (generated) 051002347.b3lyp_6-31g(d).log.xz 051002347.td-b3lyp_6-31g+(d).inp 051002347.td-b3lyp_6-31g+(d).log.xz

051002347.td-b3lyp_6-31+g(d).qchem.inp (generated)

051002347.td-b3lyp_6-31+g(d).gjf (generated)

051002347.td-b3lyp_6-31+g(d).firefly.inp (generated)

051002347.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051002347.mol 051002347.PUBCHEM 051002347.mol (via Jmol)
051002586.b3lyp_6-31g(d).inp

051002586.b3lyp_6-31g(d).qchem.inp (generated)

051002586.b3lyp_6-31g(d).gjf (generated)

051002586.b3lyp_6-31g(d).firefly.inp (generated)

051002586.b3lyp_6-31g(d).smash.inp (generated)

051002586.b3lyp_6-31g(d).nwchem.inp (generated) 051002586.b3lyp_6-31g(d).log.xz 051002586.td-b3lyp_6-31g+(d).inp 051002586.td-b3lyp_6-31g+(d).log.xz

051002586.td-b3lyp_6-31+g(d).qchem.inp (generated)

051002586.td-b3lyp_6-31+g(d).gjf (generated)

051002586.td-b3lyp_6-31+g(d).firefly.inp (generated)

051002586.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051002586.mol 051002586.PUBCHEM 051002586.mol (via Jmol)
051002603.b3lyp_6-31g(d).inp

051002603.b3lyp_6-31g(d).qchem.inp (generated)

051002603.b3lyp_6-31g(d).gjf (generated)

051002603.b3lyp_6-31g(d).firefly.inp (generated)

051002603.b3lyp_6-31g(d).smash.inp (generated)

051002603.b3lyp_6-31g(d).nwchem.inp (generated) 051002603.b3lyp_6-31g(d).log.xz 051002603.mol 051002603.PUBCHEM 051002603.mol (via Jmol)
051002630.b3lyp_6-31g(d).inp

051002630.b3lyp_6-31g(d).qchem.inp (generated)

051002630.b3lyp_6-31g(d).gjf (generated)

051002630.b3lyp_6-31g(d).firefly.inp (generated)

051002630.b3lyp_6-31g(d).smash.inp (generated)

051002630.b3lyp_6-31g(d).nwchem.inp (generated) 051002630.b3lyp_6-31g(d).log.xz 051002630.mol 051002630.PUBCHEM 051002630.mol (via Jmol)
051002636.b3lyp_6-31g(d).inp

051002636.b3lyp_6-31g(d).qchem.inp (generated)

051002636.b3lyp_6-31g(d).gjf (generated)

051002636.b3lyp_6-31g(d).firefly.inp (generated)

051002636.b3lyp_6-31g(d).smash.inp (generated)

051002636.b3lyp_6-31g(d).nwchem.inp (generated) 051002636.b3lyp_6-31g(d).log.xz 051002636.td-b3lyp_6-31g+(d).inp 051002636.td-b3lyp_6-31g+(d).log.xz

051002636.td-b3lyp_6-31+g(d).qchem.inp (generated)

051002636.td-b3lyp_6-31+g(d).gjf (generated)

051002636.td-b3lyp_6-31+g(d).firefly.inp (generated)

051002636.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051002636.mol 051002636.PUBCHEM 051002636.mol (via Jmol)
051002648.b3lyp_6-31g(d).inp

051002648.b3lyp_6-31g(d).qchem.inp (generated)

051002648.b3lyp_6-31g(d).gjf (generated)

051002648.b3lyp_6-31g(d).firefly.inp (generated)

051002648.b3lyp_6-31g(d).smash.inp (generated)

051002648.b3lyp_6-31g(d).nwchem.inp (generated) 051002648.b3lyp_6-31g(d).log.xz 051002648.mol 051002648.PUBCHEM 051002648.mol (via Jmol)
051002767.b3lyp_6-31g(d).inp

051002767.b3lyp_6-31g(d).qchem.inp (generated)

051002767.b3lyp_6-31g(d).gjf (generated)

051002767.b3lyp_6-31g(d).firefly.inp (generated)

051002767.b3lyp_6-31g(d).smash.inp (generated)

051002767.b3lyp_6-31g(d).nwchem.inp (generated) 051002767.b3lyp_6-31g(d).log.xz 051002767.td-b3lyp_6-31g+(d).inp 051002767.td-b3lyp_6-31g+(d).log.xz

051002767.td-b3lyp_6-31+g(d).qchem.inp (generated)

051002767.td-b3lyp_6-31+g(d).gjf (generated)

051002767.td-b3lyp_6-31+g(d).firefly.inp (generated)

051002767.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051002767.mol 051002767.PUBCHEM 051002767.mol (via Jmol)
051002771.b3lyp_6-31g(d).inp

051002771.b3lyp_6-31g(d).qchem.inp (generated)

051002771.b3lyp_6-31g(d).gjf (generated)

051002771.b3lyp_6-31g(d).firefly.inp (generated)

051002771.b3lyp_6-31g(d).smash.inp (generated)

051002771.b3lyp_6-31g(d).nwchem.inp (generated) 051002771.b3lyp_6-31g(d).log.xz 051002771.mol 051002771.PUBCHEM 051002771.mol (via Jmol)
051002811.b3lyp_6-31g(d).inp

051002811.b3lyp_6-31g(d).qchem.inp (generated)

051002811.b3lyp_6-31g(d).gjf (generated)

051002811.b3lyp_6-31g(d).firefly.inp (generated)

051002811.b3lyp_6-31g(d).smash.inp (generated)

051002811.b3lyp_6-31g(d).nwchem.inp (generated) 051002811.b3lyp_6-31g(d).log.xz 051002811.mol 051002811.PUBCHEM 051002811.mol (via Jmol)
051002812.b3lyp_6-31g(d).inp

051002812.b3lyp_6-31g(d).qchem.inp (generated)

051002812.b3lyp_6-31g(d).gjf (generated)

051002812.b3lyp_6-31g(d).firefly.inp (generated)

051002812.b3lyp_6-31g(d).smash.inp (generated)

051002812.b3lyp_6-31g(d).nwchem.inp (generated) 051002812.b3lyp_6-31g(d).log.xz 051002812.td-b3lyp_6-31g+(d).inp 051002812.td-b3lyp_6-31g+(d).log.xz

051002812.td-b3lyp_6-31+g(d).qchem.inp (generated)

051002812.td-b3lyp_6-31+g(d).gjf (generated)

051002812.td-b3lyp_6-31+g(d).firefly.inp (generated)

051002812.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051002812.mol 051002812.PUBCHEM 051002812.mol (via Jmol)
051002830.b3lyp_6-31g(d).inp

051002830.b3lyp_6-31g(d).qchem.inp (generated)

051002830.b3lyp_6-31g(d).gjf (generated)

051002830.b3lyp_6-31g(d).firefly.inp (generated)

051002830.b3lyp_6-31g(d).smash.inp (generated)

051002830.b3lyp_6-31g(d).nwchem.inp (generated) 051002830.b3lyp_6-31g(d).log.xz 051002830.td-b3lyp_6-31g+(d).inp 051002830.td-b3lyp_6-31g+(d).log.xz

051002830.td-b3lyp_6-31+g(d).qchem.inp (generated)

051002830.td-b3lyp_6-31+g(d).gjf (generated)

051002830.td-b3lyp_6-31+g(d).firefly.inp (generated)

051002830.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051002830.mol 051002830.PUBCHEM 051002830.mol (via Jmol)
051002901.b3lyp_6-31g(d).inp

051002901.b3lyp_6-31g(d).qchem.inp (generated)

051002901.b3lyp_6-31g(d).gjf (generated)

051002901.b3lyp_6-31g(d).firefly.inp (generated)

051002901.b3lyp_6-31g(d).smash.inp (generated)

051002901.b3lyp_6-31g(d).nwchem.inp (generated) 051002901.b3lyp_6-31g(d).log.xz 051002901.td-b3lyp_6-31g+(d).inp 051002901.td-b3lyp_6-31g+(d).log.xz

051002901.td-b3lyp_6-31+g(d).qchem.inp (generated)

051002901.td-b3lyp_6-31+g(d).gjf (generated)

051002901.td-b3lyp_6-31+g(d).firefly.inp (generated)

051002901.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051002901.mol 051002901.PUBCHEM 051002901.mol (via Jmol)
051002915.b3lyp_6-31g(d).inp

051002915.b3lyp_6-31g(d).qchem.inp (generated)

051002915.b3lyp_6-31g(d).gjf (generated)

051002915.b3lyp_6-31g(d).firefly.inp (generated)

051002915.b3lyp_6-31g(d).smash.inp (generated)

051002915.b3lyp_6-31g(d).nwchem.inp (generated) 051002915.b3lyp_6-31g(d).log.xz 051002915.td-b3lyp_6-31g+(d).inp 051002915.td-b3lyp_6-31g+(d).log.xz

051002915.td-b3lyp_6-31+g(d).qchem.inp (generated)

051002915.td-b3lyp_6-31+g(d).gjf (generated)

051002915.td-b3lyp_6-31+g(d).firefly.inp (generated)

051002915.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051002915.mol 051002915.PUBCHEM 051002915.mol (via Jmol)
051002963.b3lyp_6-31g(d).inp

051002963.b3lyp_6-31g(d).qchem.inp (generated)

051002963.b3lyp_6-31g(d).gjf (generated)

051002963.b3lyp_6-31g(d).firefly.inp (generated)

051002963.b3lyp_6-31g(d).smash.inp (generated)

051002963.b3lyp_6-31g(d).nwchem.inp (generated) 051002963.b3lyp_6-31g(d).log.xz 051002963.td-b3lyp_6-31g+(d).inp 051002963.td-b3lyp_6-31g+(d).log.xz

051002963.td-b3lyp_6-31+g(d).qchem.inp (generated)

051002963.td-b3lyp_6-31+g(d).gjf (generated)

051002963.td-b3lyp_6-31+g(d).firefly.inp (generated)

051002963.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051002963.mol 051002963.PUBCHEM 051002963.mol (via Jmol)
051002970.b3lyp_6-31g(d).inp

051002970.b3lyp_6-31g(d).qchem.inp (generated)

051002970.b3lyp_6-31g(d).gjf (generated)

051002970.b3lyp_6-31g(d).firefly.inp (generated)

051002970.b3lyp_6-31g(d).smash.inp (generated)

051002970.b3lyp_6-31g(d).nwchem.inp (generated) 051002970.b3lyp_6-31g(d).log.xz 051002970.mol 051002970.PUBCHEM 051002970.mol (via Jmol)
051002985.b3lyp_6-31g(d).inp

051002985.b3lyp_6-31g(d).qchem.inp (generated)

051002985.b3lyp_6-31g(d).gjf (generated)

051002985.b3lyp_6-31g(d).firefly.inp (generated)

051002985.b3lyp_6-31g(d).smash.inp (generated)

051002985.b3lyp_6-31g(d).nwchem.inp (generated) 051002985.b3lyp_6-31g(d).log.xz 051002985.td-b3lyp_6-31g+(d).inp 051002985.td-b3lyp_6-31g+(d).log.xz

051002985.td-b3lyp_6-31+g(d).qchem.inp (generated)

051002985.td-b3lyp_6-31+g(d).gjf (generated)

051002985.td-b3lyp_6-31+g(d).firefly.inp (generated)

051002985.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051002985.mol 051002985.PUBCHEM 051002985.mol (via Jmol)
051003013.b3lyp_6-31g(d).inp

051003013.b3lyp_6-31g(d).qchem.inp (generated)

051003013.b3lyp_6-31g(d).gjf (generated)

051003013.b3lyp_6-31g(d).firefly.inp (generated)

051003013.b3lyp_6-31g(d).smash.inp (generated)

051003013.b3lyp_6-31g(d).nwchem.inp (generated) 051003013.b3lyp_6-31g(d).log.xz 051003013.mol 051003013.PUBCHEM 051003013.mol (via Jmol)
051003029.b3lyp_6-31g(d).inp

051003029.b3lyp_6-31g(d).qchem.inp (generated)

051003029.b3lyp_6-31g(d).gjf (generated)

051003029.b3lyp_6-31g(d).firefly.inp (generated)

051003029.b3lyp_6-31g(d).smash.inp (generated)

051003029.b3lyp_6-31g(d).nwchem.inp (generated) 051003029.b3lyp_6-31g(d).log.xz 051003029.td-b3lyp_6-31g+(d).inp 051003029.td-b3lyp_6-31g+(d).log.xz

051003029.td-b3lyp_6-31+g(d).qchem.inp (generated)

051003029.td-b3lyp_6-31+g(d).gjf (generated)

051003029.td-b3lyp_6-31+g(d).firefly.inp (generated)

051003029.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051003029.mol 051003029.PUBCHEM 051003029.mol (via Jmol)
051003043.b3lyp_6-31g(d).inp

051003043.b3lyp_6-31g(d).qchem.inp (generated)

051003043.b3lyp_6-31g(d).gjf (generated)

051003043.b3lyp_6-31g(d).firefly.inp (generated)

051003043.b3lyp_6-31g(d).smash.inp (generated)

051003043.b3lyp_6-31g(d).nwchem.inp (generated) 051003043.b3lyp_6-31g(d).log.xz 051003043.td-b3lyp_6-31g+(d).inp 051003043.td-b3lyp_6-31g+(d).log.xz

051003043.td-b3lyp_6-31+g(d).qchem.inp (generated)

051003043.td-b3lyp_6-31+g(d).gjf (generated)

051003043.td-b3lyp_6-31+g(d).firefly.inp (generated)

051003043.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051003043.mol 051003043.PUBCHEM 051003043.mol (via Jmol)
051003044.b3lyp_6-31g(d).inp

051003044.b3lyp_6-31g(d).qchem.inp (generated)

051003044.b3lyp_6-31g(d).gjf (generated)

051003044.b3lyp_6-31g(d).firefly.inp (generated)

051003044.b3lyp_6-31g(d).smash.inp (generated)

051003044.b3lyp_6-31g(d).nwchem.inp (generated) 051003044.b3lyp_6-31g(d).log.xz 051003044.td-b3lyp_6-31g+(d).inp 051003044.td-b3lyp_6-31g+(d).log.xz

051003044.td-b3lyp_6-31+g(d).qchem.inp (generated)

051003044.td-b3lyp_6-31+g(d).gjf (generated)

051003044.td-b3lyp_6-31+g(d).firefly.inp (generated)

051003044.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051003044.mol 051003044.PUBCHEM 051003044.mol (via Jmol)
051003069.b3lyp_6-31g(d).inp

051003069.b3lyp_6-31g(d).qchem.inp (generated)

051003069.b3lyp_6-31g(d).gjf (generated)

051003069.b3lyp_6-31g(d).firefly.inp (generated)

051003069.b3lyp_6-31g(d).smash.inp (generated)

051003069.b3lyp_6-31g(d).nwchem.inp (generated) 051003069.b3lyp_6-31g(d).log.xz 051003069.td-b3lyp_6-31g+(d).inp 051003069.td-b3lyp_6-31g+(d).log.xz

051003069.td-b3lyp_6-31+g(d).qchem.inp (generated)

051003069.td-b3lyp_6-31+g(d).gjf (generated)

051003069.td-b3lyp_6-31+g(d).firefly.inp (generated)

051003069.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051003069.mol 051003069.PUBCHEM 051003069.mol (via Jmol)
051003075.b3lyp_6-31g(d).inp

051003075.b3lyp_6-31g(d).qchem.inp (generated)

051003075.b3lyp_6-31g(d).gjf (generated)

051003075.b3lyp_6-31g(d).firefly.inp (generated)

051003075.b3lyp_6-31g(d).smash.inp (generated)

051003075.b3lyp_6-31g(d).nwchem.inp (generated) 051003075.b3lyp_6-31g(d).log.xz 051003075.td-b3lyp_6-31g+(d).inp 051003075.td-b3lyp_6-31g+(d).log.xz

051003075.td-b3lyp_6-31+g(d).qchem.inp (generated)

051003075.td-b3lyp_6-31+g(d).gjf (generated)

051003075.td-b3lyp_6-31+g(d).firefly.inp (generated)

051003075.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051003075.mol 051003075.PUBCHEM 051003075.mol (via Jmol)
051003079.b3lyp_6-31g(d).inp

051003079.b3lyp_6-31g(d).qchem.inp (generated)

051003079.b3lyp_6-31g(d).gjf (generated)

051003079.b3lyp_6-31g(d).firefly.inp (generated)

051003079.b3lyp_6-31g(d).smash.inp (generated)

051003079.b3lyp_6-31g(d).nwchem.inp (generated) 051003079.b3lyp_6-31g(d).log.xz 051003079.td-b3lyp_6-31g+(d).inp 051003079.td-b3lyp_6-31g+(d).log.xz

051003079.td-b3lyp_6-31+g(d).qchem.inp (generated)

051003079.td-b3lyp_6-31+g(d).gjf (generated)

051003079.td-b3lyp_6-31+g(d).firefly.inp (generated)

051003079.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051003079.mol 051003079.PUBCHEM 051003079.mol (via Jmol)
051003080.b3lyp_6-31g(d).inp

051003080.b3lyp_6-31g(d).qchem.inp (generated)

051003080.b3lyp_6-31g(d).gjf (generated)

051003080.b3lyp_6-31g(d).firefly.inp (generated)

051003080.b3lyp_6-31g(d).smash.inp (generated)

051003080.b3lyp_6-31g(d).nwchem.inp (generated) 051003080.b3lyp_6-31g(d).log.xz 051003080.td-b3lyp_6-31g+(d).inp 051003080.td-b3lyp_6-31g+(d).log.xz

051003080.td-b3lyp_6-31+g(d).qchem.inp (generated)

051003080.td-b3lyp_6-31+g(d).gjf (generated)

051003080.td-b3lyp_6-31+g(d).firefly.inp (generated)

051003080.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051003080.mol 051003080.PUBCHEM 051003080.mol (via Jmol)
051003083.b3lyp_6-31g(d).inp

051003083.b3lyp_6-31g(d).qchem.inp (generated)

051003083.b3lyp_6-31g(d).gjf (generated)

051003083.b3lyp_6-31g(d).firefly.inp (generated)

051003083.b3lyp_6-31g(d).smash.inp (generated)

051003083.b3lyp_6-31g(d).nwchem.inp (generated) 051003083.b3lyp_6-31g(d).log.xz 051003083.td-b3lyp_6-31g+(d).inp 051003083.td-b3lyp_6-31g+(d).log.xz

051003083.td-b3lyp_6-31+g(d).qchem.inp (generated)

051003083.td-b3lyp_6-31+g(d).gjf (generated)

051003083.td-b3lyp_6-31+g(d).firefly.inp (generated)

051003083.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051003083.mol 051003083.PUBCHEM 051003083.mol (via Jmol)
051003129.b3lyp_6-31g(d).inp

051003129.b3lyp_6-31g(d).qchem.inp (generated)

051003129.b3lyp_6-31g(d).gjf (generated)

051003129.b3lyp_6-31g(d).firefly.inp (generated)

051003129.b3lyp_6-31g(d).smash.inp (generated)

051003129.b3lyp_6-31g(d).nwchem.inp (generated) 051003129.b3lyp_6-31g(d).log.xz 051003129.td-b3lyp_6-31g+(d).inp 051003129.td-b3lyp_6-31g+(d).log.xz

051003129.td-b3lyp_6-31+g(d).qchem.inp (generated)

051003129.td-b3lyp_6-31+g(d).gjf (generated)

051003129.td-b3lyp_6-31+g(d).firefly.inp (generated)

051003129.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051003129.mol 051003129.PUBCHEM 051003129.mol (via Jmol)
051003142.b3lyp_6-31g(d).inp

051003142.b3lyp_6-31g(d).qchem.inp (generated)

051003142.b3lyp_6-31g(d).gjf (generated)

051003142.b3lyp_6-31g(d).firefly.inp (generated)

051003142.b3lyp_6-31g(d).smash.inp (generated)

051003142.b3lyp_6-31g(d).nwchem.inp (generated) 051003142.b3lyp_6-31g(d).log.xz 051003142.td-b3lyp_6-31g+(d).inp 051003142.td-b3lyp_6-31g+(d).log.xz

051003142.td-b3lyp_6-31+g(d).qchem.inp (generated)

051003142.td-b3lyp_6-31+g(d).gjf (generated)

051003142.td-b3lyp_6-31+g(d).firefly.inp (generated)

051003142.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051003142.mol 051003142.PUBCHEM 051003142.mol (via Jmol)
051003144.b3lyp_6-31g(d).inp

051003144.b3lyp_6-31g(d).qchem.inp (generated)

051003144.b3lyp_6-31g(d).gjf (generated)

051003144.b3lyp_6-31g(d).firefly.inp (generated)

051003144.b3lyp_6-31g(d).smash.inp (generated)

051003144.b3lyp_6-31g(d).nwchem.inp (generated) 051003144.b3lyp_6-31g(d).log.xz 051003144.td-b3lyp_6-31g+(d).inp 051003144.td-b3lyp_6-31g+(d).log.xz

051003144.td-b3lyp_6-31+g(d).qchem.inp (generated)

051003144.td-b3lyp_6-31+g(d).gjf (generated)

051003144.td-b3lyp_6-31+g(d).firefly.inp (generated)

051003144.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051003144.mol 051003144.PUBCHEM 051003144.mol (via Jmol)
051003151.b3lyp_6-31g(d).inp

051003151.b3lyp_6-31g(d).qchem.inp (generated)

051003151.b3lyp_6-31g(d).gjf (generated)

051003151.b3lyp_6-31g(d).firefly.inp (generated)

051003151.b3lyp_6-31g(d).smash.inp (generated)

051003151.b3lyp_6-31g(d).nwchem.inp (generated) 051003151.b3lyp_6-31g(d).log.xz 051003151.td-b3lyp_6-31g+(d).inp 051003151.td-b3lyp_6-31g+(d).log.xz

051003151.td-b3lyp_6-31+g(d).qchem.inp (generated)

051003151.td-b3lyp_6-31+g(d).gjf (generated)

051003151.td-b3lyp_6-31+g(d).firefly.inp (generated)

051003151.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051003151.mol 051003151.PUBCHEM 051003151.mol (via Jmol)
051003155.b3lyp_6-31g(d).inp

051003155.b3lyp_6-31g(d).qchem.inp (generated)

051003155.b3lyp_6-31g(d).gjf (generated)

051003155.b3lyp_6-31g(d).firefly.inp (generated)

051003155.b3lyp_6-31g(d).smash.inp (generated)

051003155.b3lyp_6-31g(d).nwchem.inp (generated) 051003155.b3lyp_6-31g(d).log.xz 051003155.td-b3lyp_6-31g+(d).inp 051003155.td-b3lyp_6-31g+(d).log.xz

051003155.td-b3lyp_6-31+g(d).qchem.inp (generated)

051003155.td-b3lyp_6-31+g(d).gjf (generated)

051003155.td-b3lyp_6-31+g(d).firefly.inp (generated)

051003155.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051003155.mol 051003155.PUBCHEM 051003155.mol (via Jmol)
051003158.b3lyp_6-31g(d).inp

051003158.b3lyp_6-31g(d).qchem.inp (generated)

051003158.b3lyp_6-31g(d).gjf (generated)

051003158.b3lyp_6-31g(d).firefly.inp (generated)

051003158.b3lyp_6-31g(d).smash.inp (generated)

051003158.b3lyp_6-31g(d).nwchem.inp (generated) 051003158.b3lyp_6-31g(d).log.xz 051003158.td-b3lyp_6-31g+(d).inp 051003158.td-b3lyp_6-31g+(d).log.xz

051003158.td-b3lyp_6-31+g(d).qchem.inp (generated)

051003158.td-b3lyp_6-31+g(d).gjf (generated)

051003158.td-b3lyp_6-31+g(d).firefly.inp (generated)

051003158.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051003158.mol 051003158.PUBCHEM 051003158.mol (via Jmol)
051003159.b3lyp_6-31g(d).inp

051003159.b3lyp_6-31g(d).qchem.inp (generated)

051003159.b3lyp_6-31g(d).gjf (generated)

051003159.b3lyp_6-31g(d).firefly.inp (generated)

051003159.b3lyp_6-31g(d).smash.inp (generated)

051003159.b3lyp_6-31g(d).nwchem.inp (generated) 051003159.b3lyp_6-31g(d).log.xz 051003159.td-b3lyp_6-31g+(d).inp 051003159.td-b3lyp_6-31g+(d).log.xz

051003159.td-b3lyp_6-31+g(d).qchem.inp (generated)

051003159.td-b3lyp_6-31+g(d).gjf (generated)

051003159.td-b3lyp_6-31+g(d).firefly.inp (generated)

051003159.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051003159.mol 051003159.PUBCHEM 051003159.mol (via Jmol)
051003202.b3lyp_6-31g(d).inp

051003202.b3lyp_6-31g(d).qchem.inp (generated)

051003202.b3lyp_6-31g(d).gjf (generated)

051003202.b3lyp_6-31g(d).firefly.inp (generated)

051003202.b3lyp_6-31g(d).smash.inp (generated)

051003202.b3lyp_6-31g(d).nwchem.inp (generated) 051003202.b3lyp_6-31g(d).log.xz 051003202.td-b3lyp_6-31g+(d).inp 051003202.td-b3lyp_6-31g+(d).log.xz

051003202.td-b3lyp_6-31+g(d).qchem.inp (generated)

051003202.td-b3lyp_6-31+g(d).gjf (generated)

051003202.td-b3lyp_6-31+g(d).firefly.inp (generated)

051003202.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051003202.mol 051003202.PUBCHEM 051003202.mol (via Jmol)
051003237.b3lyp_6-31g(d).inp

051003237.b3lyp_6-31g(d).qchem.inp (generated)

051003237.b3lyp_6-31g(d).gjf (generated)

051003237.b3lyp_6-31g(d).firefly.inp (generated)

051003237.b3lyp_6-31g(d).smash.inp (generated)

051003237.b3lyp_6-31g(d).nwchem.inp (generated) 051003237.b3lyp_6-31g(d).log.xz 051003237.td-b3lyp_6-31g+(d).inp 051003237.td-b3lyp_6-31g+(d).log.xz

051003237.td-b3lyp_6-31+g(d).qchem.inp (generated)

051003237.td-b3lyp_6-31+g(d).gjf (generated)

051003237.td-b3lyp_6-31+g(d).firefly.inp (generated)

051003237.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051003237.mol 051003237.PUBCHEM 051003237.mol (via Jmol)
051003239.b3lyp_6-31g(d).inp

051003239.b3lyp_6-31g(d).qchem.inp (generated)

051003239.b3lyp_6-31g(d).gjf (generated)

051003239.b3lyp_6-31g(d).firefly.inp (generated)

051003239.b3lyp_6-31g(d).smash.inp (generated)

051003239.b3lyp_6-31g(d).nwchem.inp (generated) 051003239.b3lyp_6-31g(d).log.xz 051003239.td-b3lyp_6-31g+(d).inp 051003239.td-b3lyp_6-31g+(d).log.xz

051003239.td-b3lyp_6-31+g(d).qchem.inp (generated)

051003239.td-b3lyp_6-31+g(d).gjf (generated)

051003239.td-b3lyp_6-31+g(d).firefly.inp (generated)

051003239.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051003239.mol 051003239.PUBCHEM 051003239.mol (via Jmol)
051003249.b3lyp_6-31g(d).inp

051003249.b3lyp_6-31g(d).qchem.inp (generated)

051003249.b3lyp_6-31g(d).gjf (generated)

051003249.b3lyp_6-31g(d).firefly.inp (generated)

051003249.b3lyp_6-31g(d).smash.inp (generated)

051003249.b3lyp_6-31g(d).nwchem.inp (generated) 051003249.b3lyp_6-31g(d).log.xz 051003249.td-b3lyp_6-31g+(d).inp 051003249.td-b3lyp_6-31g+(d).log.xz

051003249.td-b3lyp_6-31+g(d).qchem.inp (generated)

051003249.td-b3lyp_6-31+g(d).gjf (generated)

051003249.td-b3lyp_6-31+g(d).firefly.inp (generated)

051003249.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051003249.mol 051003249.PUBCHEM 051003249.mol (via Jmol)
051003250.b3lyp_6-31g(d).inp

051003250.b3lyp_6-31g(d).qchem.inp (generated)

051003250.b3lyp_6-31g(d).gjf (generated)

051003250.b3lyp_6-31g(d).firefly.inp (generated)

051003250.b3lyp_6-31g(d).smash.inp (generated)

051003250.b3lyp_6-31g(d).nwchem.inp (generated) 051003250.b3lyp_6-31g(d).log.xz 051003250.td-b3lyp_6-31g+(d).inp 051003250.td-b3lyp_6-31g+(d).log.xz

051003250.td-b3lyp_6-31+g(d).qchem.inp (generated)

051003250.td-b3lyp_6-31+g(d).gjf (generated)

051003250.td-b3lyp_6-31+g(d).firefly.inp (generated)

051003250.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051003250.mol 051003250.PUBCHEM 051003250.mol (via Jmol)
051003254.b3lyp_6-31g(d).inp

051003254.b3lyp_6-31g(d).qchem.inp (generated)

051003254.b3lyp_6-31g(d).gjf (generated)

051003254.b3lyp_6-31g(d).firefly.inp (generated)

051003254.b3lyp_6-31g(d).smash.inp (generated)

051003254.b3lyp_6-31g(d).nwchem.inp (generated) 051003254.b3lyp_6-31g(d).log.xz 051003254.mol 051003254.PUBCHEM 051003254.mol (via Jmol)
051003298.b3lyp_6-31g(d).inp

051003298.b3lyp_6-31g(d).qchem.inp (generated)

051003298.b3lyp_6-31g(d).gjf (generated)

051003298.b3lyp_6-31g(d).firefly.inp (generated)

051003298.b3lyp_6-31g(d).smash.inp (generated)

051003298.b3lyp_6-31g(d).nwchem.inp (generated) 051003298.b3lyp_6-31g(d).log.xz 051003298.mol 051003298.PUBCHEM 051003298.mol (via Jmol)
051003342.b3lyp_6-31g(d).inp

051003342.b3lyp_6-31g(d).qchem.inp (generated)

051003342.b3lyp_6-31g(d).gjf (generated)

051003342.b3lyp_6-31g(d).firefly.inp (generated)

051003342.b3lyp_6-31g(d).smash.inp (generated)

051003342.b3lyp_6-31g(d).nwchem.inp (generated) 051003342.b3lyp_6-31g(d).log.xz 051003342.td-b3lyp_6-31g+(d).inp 051003342.td-b3lyp_6-31g+(d).log.xz

051003342.td-b3lyp_6-31+g(d).qchem.inp (generated)

051003342.td-b3lyp_6-31+g(d).gjf (generated)

051003342.td-b3lyp_6-31+g(d).firefly.inp (generated)

051003342.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051003342.mol 051003342.PUBCHEM 051003342.mol (via Jmol)
051003360.b3lyp_6-31g(d).inp

051003360.b3lyp_6-31g(d).qchem.inp (generated)

051003360.b3lyp_6-31g(d).gjf (generated)

051003360.b3lyp_6-31g(d).firefly.inp (generated)

051003360.b3lyp_6-31g(d).smash.inp (generated)

051003360.b3lyp_6-31g(d).nwchem.inp (generated) 051003360.b3lyp_6-31g(d).log.xz 051003360.td-b3lyp_6-31g+(d).inp 051003360.td-b3lyp_6-31g+(d).log.xz

051003360.td-b3lyp_6-31+g(d).qchem.inp (generated)

051003360.td-b3lyp_6-31+g(d).gjf (generated)

051003360.td-b3lyp_6-31+g(d).firefly.inp (generated)

051003360.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051003360.mol 051003360.PUBCHEM 051003360.mol (via Jmol)
051003410.b3lyp_6-31g(d).inp

051003410.b3lyp_6-31g(d).qchem.inp (generated)

051003410.b3lyp_6-31g(d).gjf (generated)

051003410.b3lyp_6-31g(d).firefly.inp (generated)

051003410.b3lyp_6-31g(d).smash.inp (generated)

051003410.b3lyp_6-31g(d).nwchem.inp (generated) 051003410.b3lyp_6-31g(d).log.xz 051003410.td-b3lyp_6-31g+(d).inp 051003410.td-b3lyp_6-31g+(d).log.xz

051003410.td-b3lyp_6-31+g(d).qchem.inp (generated)

051003410.td-b3lyp_6-31+g(d).gjf (generated)

051003410.td-b3lyp_6-31+g(d).firefly.inp (generated)

051003410.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051003410.mol 051003410.PUBCHEM 051003410.mol (via Jmol)
051003431.b3lyp_6-31g(d).inp

051003431.b3lyp_6-31g(d).qchem.inp (generated)

051003431.b3lyp_6-31g(d).gjf (generated)

051003431.b3lyp_6-31g(d).firefly.inp (generated)

051003431.b3lyp_6-31g(d).smash.inp (generated)

051003431.b3lyp_6-31g(d).nwchem.inp (generated) 051003431.b3lyp_6-31g(d).log.xz 051003431.td-b3lyp_6-31g+(d).inp 051003431.td-b3lyp_6-31g+(d).log.xz

051003431.td-b3lyp_6-31+g(d).qchem.inp (generated)

051003431.td-b3lyp_6-31+g(d).gjf (generated)

051003431.td-b3lyp_6-31+g(d).firefly.inp (generated)

051003431.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051003431.mol 051003431.PUBCHEM 051003431.mol (via Jmol)
051003593.b3lyp_6-31g(d).inp

051003593.b3lyp_6-31g(d).qchem.inp (generated)

051003593.b3lyp_6-31g(d).gjf (generated)

051003593.b3lyp_6-31g(d).firefly.inp (generated)

051003593.b3lyp_6-31g(d).smash.inp (generated)

051003593.b3lyp_6-31g(d).nwchem.inp (generated) 051003593.b3lyp_6-31g(d).log.xz 051003593.td-b3lyp_6-31g+(d).inp 051003593.td-b3lyp_6-31g+(d).log.xz

051003593.td-b3lyp_6-31+g(d).qchem.inp (generated)

051003593.td-b3lyp_6-31+g(d).gjf (generated)

051003593.td-b3lyp_6-31+g(d).firefly.inp (generated)

051003593.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051003593.mol 051003593.PUBCHEM 051003593.mol (via Jmol)
051003656.b3lyp_6-31g(d).inp

051003656.b3lyp_6-31g(d).qchem.inp (generated)

051003656.b3lyp_6-31g(d).gjf (generated)

051003656.b3lyp_6-31g(d).firefly.inp (generated)

051003656.b3lyp_6-31g(d).smash.inp (generated)

051003656.b3lyp_6-31g(d).nwchem.inp (generated) 051003656.b3lyp_6-31g(d).log.xz 051003656.td-b3lyp_6-31g+(d).inp 051003656.td-b3lyp_6-31g+(d).log.xz

051003656.td-b3lyp_6-31+g(d).qchem.inp (generated)

051003656.td-b3lyp_6-31+g(d).gjf (generated)

051003656.td-b3lyp_6-31+g(d).firefly.inp (generated)

051003656.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051003656.mol 051003656.PUBCHEM 051003656.mol (via Jmol)
051003705.b3lyp_6-31g(d).inp

051003705.b3lyp_6-31g(d).qchem.inp (generated)

051003705.b3lyp_6-31g(d).gjf (generated)

051003705.b3lyp_6-31g(d).firefly.inp (generated)

051003705.b3lyp_6-31g(d).smash.inp (generated)

051003705.b3lyp_6-31g(d).nwchem.inp (generated) 051003705.b3lyp_6-31g(d).log.xz 051003705.td-b3lyp_6-31g+(d).inp 051003705.td-b3lyp_6-31g+(d).log.xz

051003705.td-b3lyp_6-31+g(d).qchem.inp (generated)

051003705.td-b3lyp_6-31+g(d).gjf (generated)

051003705.td-b3lyp_6-31+g(d).firefly.inp (generated)

051003705.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051003705.mol 051003705.PUBCHEM 051003705.mol (via Jmol)
051003711.b3lyp_6-31g(d).inp

051003711.b3lyp_6-31g(d).qchem.inp (generated)

051003711.b3lyp_6-31g(d).gjf (generated)

051003711.b3lyp_6-31g(d).firefly.inp (generated)

051003711.b3lyp_6-31g(d).smash.inp (generated)

051003711.b3lyp_6-31g(d).nwchem.inp (generated) 051003711.b3lyp_6-31g(d).log.xz 051003711.td-b3lyp_6-31g+(d).inp 051003711.td-b3lyp_6-31g+(d).log.xz

051003711.td-b3lyp_6-31+g(d).qchem.inp (generated)

051003711.td-b3lyp_6-31+g(d).gjf (generated)

051003711.td-b3lyp_6-31+g(d).firefly.inp (generated)

051003711.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051003711.mol 051003711.PUBCHEM 051003711.mol (via Jmol)
051003725.b3lyp_6-31g(d).inp

051003725.b3lyp_6-31g(d).qchem.inp (generated)

051003725.b3lyp_6-31g(d).gjf (generated)

051003725.b3lyp_6-31g(d).firefly.inp (generated)

051003725.b3lyp_6-31g(d).smash.inp (generated)

051003725.b3lyp_6-31g(d).nwchem.inp (generated) 051003725.b3lyp_6-31g(d).log.xz 051003725.td-b3lyp_6-31g+(d).inp 051003725.td-b3lyp_6-31g+(d).log.xz

051003725.td-b3lyp_6-31+g(d).qchem.inp (generated)

051003725.td-b3lyp_6-31+g(d).gjf (generated)

051003725.td-b3lyp_6-31+g(d).firefly.inp (generated)

051003725.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051003725.mol 051003725.PUBCHEM 051003725.mol (via Jmol)
051003755.b3lyp_6-31g(d).inp

051003755.b3lyp_6-31g(d).qchem.inp (generated)

051003755.b3lyp_6-31g(d).gjf (generated)

051003755.b3lyp_6-31g(d).firefly.inp (generated)

051003755.b3lyp_6-31g(d).smash.inp (generated)

051003755.b3lyp_6-31g(d).nwchem.inp (generated) 051003755.b3lyp_6-31g(d).log.xz 051003755.td-b3lyp_6-31g+(d).inp 051003755.td-b3lyp_6-31g+(d).log.xz

051003755.td-b3lyp_6-31+g(d).qchem.inp (generated)

051003755.td-b3lyp_6-31+g(d).gjf (generated)

051003755.td-b3lyp_6-31+g(d).firefly.inp (generated)

051003755.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051003755.mol 051003755.PUBCHEM 051003755.mol (via Jmol)
051003833.b3lyp_6-31g(d).inp

051003833.b3lyp_6-31g(d).qchem.inp (generated)

051003833.b3lyp_6-31g(d).gjf (generated)

051003833.b3lyp_6-31g(d).firefly.inp (generated)

051003833.b3lyp_6-31g(d).smash.inp (generated)

051003833.b3lyp_6-31g(d).nwchem.inp (generated) 051003833.b3lyp_6-31g(d).log.xz 051003833.td-b3lyp_6-31g+(d).inp 051003833.td-b3lyp_6-31g+(d).log.xz

051003833.td-b3lyp_6-31+g(d).qchem.inp (generated)

051003833.td-b3lyp_6-31+g(d).gjf (generated)

051003833.td-b3lyp_6-31+g(d).firefly.inp (generated)

051003833.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051003833.mol 051003833.PUBCHEM 051003833.mol (via Jmol)
051003909.b3lyp_6-31g(d).inp

051003909.b3lyp_6-31g(d).qchem.inp (generated)

051003909.b3lyp_6-31g(d).gjf (generated)

051003909.b3lyp_6-31g(d).firefly.inp (generated)

051003909.b3lyp_6-31g(d).smash.inp (generated)

051003909.b3lyp_6-31g(d).nwchem.inp (generated) 051003909.b3lyp_6-31g(d).log.xz 051003909.td-b3lyp_6-31g+(d).inp 051003909.td-b3lyp_6-31g+(d).log.xz

051003909.td-b3lyp_6-31+g(d).qchem.inp (generated)

051003909.td-b3lyp_6-31+g(d).gjf (generated)

051003909.td-b3lyp_6-31+g(d).firefly.inp (generated)

051003909.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051003909.mol 051003909.PUBCHEM 051003909.mol (via Jmol)
051003959.b3lyp_6-31g(d).inp

051003959.b3lyp_6-31g(d).qchem.inp (generated)

051003959.b3lyp_6-31g(d).gjf (generated)

051003959.b3lyp_6-31g(d).firefly.inp (generated)

051003959.b3lyp_6-31g(d).smash.inp (generated)

051003959.b3lyp_6-31g(d).nwchem.inp (generated) 051003959.b3lyp_6-31g(d).log.xz 051003959.mol 051003959.PUBCHEM 051003959.mol (via Jmol)
051004058.b3lyp_6-31g(d).inp

051004058.b3lyp_6-31g(d).qchem.inp (generated)

051004058.b3lyp_6-31g(d).gjf (generated)

051004058.b3lyp_6-31g(d).firefly.inp (generated)

051004058.b3lyp_6-31g(d).smash.inp (generated)

051004058.b3lyp_6-31g(d).nwchem.inp (generated) 051004058.b3lyp_6-31g(d).log.xz 051004058.td-b3lyp_6-31g+(d).inp 051004058.td-b3lyp_6-31g+(d).log.xz

051004058.td-b3lyp_6-31+g(d).qchem.inp (generated)

051004058.td-b3lyp_6-31+g(d).gjf (generated)

051004058.td-b3lyp_6-31+g(d).firefly.inp (generated)

051004058.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051004058.mol 051004058.PUBCHEM 051004058.mol (via Jmol)
051004472.b3lyp_6-31g(d).inp

051004472.b3lyp_6-31g(d).qchem.inp (generated)

051004472.b3lyp_6-31g(d).gjf (generated)

051004472.b3lyp_6-31g(d).firefly.inp (generated)

051004472.b3lyp_6-31g(d).smash.inp (generated)

051004472.b3lyp_6-31g(d).nwchem.inp (generated) 051004472.b3lyp_6-31g(d).log.xz 051004472.td-b3lyp_6-31g+(d).inp 051004472.td-b3lyp_6-31g+(d).log.xz

051004472.td-b3lyp_6-31+g(d).qchem.inp (generated)

051004472.td-b3lyp_6-31+g(d).gjf (generated)

051004472.td-b3lyp_6-31+g(d).firefly.inp (generated)

051004472.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051004472.mol 051004472.PUBCHEM 051004472.mol (via Jmol)
051005157.b3lyp_6-31g(d).inp

051005157.b3lyp_6-31g(d).qchem.inp (generated)

051005157.b3lyp_6-31g(d).gjf (generated)

051005157.b3lyp_6-31g(d).firefly.inp (generated)

051005157.b3lyp_6-31g(d).smash.inp (generated)

051005157.b3lyp_6-31g(d).nwchem.inp (generated) 051005157.b3lyp_6-31g(d).log.xz 051005157.td-b3lyp_6-31g+(d).inp 051005157.td-b3lyp_6-31g+(d).log.xz

051005157.td-b3lyp_6-31+g(d).qchem.inp (generated)

051005157.td-b3lyp_6-31+g(d).gjf (generated)

051005157.td-b3lyp_6-31+g(d).firefly.inp (generated)

051005157.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051005157.mol 051005157.PUBCHEM 051005157.mol (via Jmol)
051005764.b3lyp_6-31g(d).inp

051005764.b3lyp_6-31g(d).qchem.inp (generated)

051005764.b3lyp_6-31g(d).gjf (generated)

051005764.b3lyp_6-31g(d).firefly.inp (generated)

051005764.b3lyp_6-31g(d).smash.inp (generated)

051005764.b3lyp_6-31g(d).nwchem.inp (generated) 051005764.b3lyp_6-31g(d).log.xz 051005764.td-b3lyp_6-31g+(d).inp 051005764.td-b3lyp_6-31g+(d).log.xz

051005764.td-b3lyp_6-31+g(d).qchem.inp (generated)

051005764.td-b3lyp_6-31+g(d).gjf (generated)

051005764.td-b3lyp_6-31+g(d).firefly.inp (generated)

051005764.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051005764.mol 051005764.PUBCHEM 051005764.mol (via Jmol)
051005765.b3lyp_6-31g(d).inp

051005765.b3lyp_6-31g(d).qchem.inp (generated)

051005765.b3lyp_6-31g(d).gjf (generated)

051005765.b3lyp_6-31g(d).firefly.inp (generated)

051005765.b3lyp_6-31g(d).smash.inp (generated)

051005765.b3lyp_6-31g(d).nwchem.inp (generated) 051005765.b3lyp_6-31g(d).log.xz 051005765.td-b3lyp_6-31g+(d).inp 051005765.td-b3lyp_6-31g+(d).log.xz

051005765.td-b3lyp_6-31+g(d).qchem.inp (generated)

051005765.td-b3lyp_6-31+g(d).gjf (generated)

051005765.td-b3lyp_6-31+g(d).firefly.inp (generated)

051005765.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051005765.mol 051005765.PUBCHEM 051005765.mol (via Jmol)
051005967.b3lyp_6-31g(d).inp

051005967.b3lyp_6-31g(d).qchem.inp (generated)

051005967.b3lyp_6-31g(d).gjf (generated)

051005967.b3lyp_6-31g(d).firefly.inp (generated)

051005967.b3lyp_6-31g(d).smash.inp (generated)

051005967.b3lyp_6-31g(d).nwchem.inp (generated) 051005967.b3lyp_6-31g(d).log.xz 051005967.mol 051005967.PUBCHEM 051005967.mol (via Jmol)
051006004.b3lyp_6-31g(d).inp

051006004.b3lyp_6-31g(d).qchem.inp (generated)

051006004.b3lyp_6-31g(d).gjf (generated)

051006004.b3lyp_6-31g(d).firefly.inp (generated)

051006004.b3lyp_6-31g(d).smash.inp (generated)

051006004.b3lyp_6-31g(d).nwchem.inp (generated) 051006004.b3lyp_6-31g(d).log.xz 051006004.td-b3lyp_6-31g+(d).inp 051006004.td-b3lyp_6-31g+(d).log.xz

051006004.td-b3lyp_6-31+g(d).qchem.inp (generated)

051006004.td-b3lyp_6-31+g(d).gjf (generated)

051006004.td-b3lyp_6-31+g(d).firefly.inp (generated)

051006004.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051006004.mol 051006004.PUBCHEM 051006004.mol (via Jmol)
051008052.b3lyp_6-31g(d).inp

051008052.b3lyp_6-31g(d).qchem.inp (generated)

051008052.b3lyp_6-31g(d).gjf (generated)

051008052.b3lyp_6-31g(d).firefly.inp (generated)

051008052.b3lyp_6-31g(d).smash.inp (generated)

051008052.b3lyp_6-31g(d).nwchem.inp (generated) 051008052.b3lyp_6-31g(d).log.xz 051008052.td-b3lyp_6-31g+(d).inp 051008052.td-b3lyp_6-31g+(d).log.xz

051008052.td-b3lyp_6-31+g(d).qchem.inp (generated)

051008052.td-b3lyp_6-31+g(d).gjf (generated)

051008052.td-b3lyp_6-31+g(d).firefly.inp (generated)

051008052.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051008052.mol 051008052.PUBCHEM 051008052.mol (via Jmol)
051008386.b3lyp_6-31g(d).inp

051008386.b3lyp_6-31g(d).qchem.inp (generated)

051008386.b3lyp_6-31g(d).gjf (generated)

051008386.b3lyp_6-31g(d).firefly.inp (generated)

051008386.b3lyp_6-31g(d).smash.inp (generated)

051008386.b3lyp_6-31g(d).nwchem.inp (generated) 051008386.b3lyp_6-31g(d).log.xz 051008386.td-b3lyp_6-31g+(d).inp 051008386.td-b3lyp_6-31g+(d).log.xz

051008386.td-b3lyp_6-31+g(d).qchem.inp (generated)

051008386.td-b3lyp_6-31+g(d).gjf (generated)

051008386.td-b3lyp_6-31+g(d).firefly.inp (generated)

051008386.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051008386.mol 051008386.PUBCHEM 051008386.mol (via Jmol)
051008387.b3lyp_6-31g(d).inp

051008387.b3lyp_6-31g(d).qchem.inp (generated)

051008387.b3lyp_6-31g(d).gjf (generated)

051008387.b3lyp_6-31g(d).firefly.inp (generated)

051008387.b3lyp_6-31g(d).smash.inp (generated)

051008387.b3lyp_6-31g(d).nwchem.inp (generated) 051008387.b3lyp_6-31g(d).log.xz 051008387.td-b3lyp_6-31g+(d).inp 051008387.td-b3lyp_6-31g+(d).log.xz

051008387.td-b3lyp_6-31+g(d).qchem.inp (generated)

051008387.td-b3lyp_6-31+g(d).gjf (generated)

051008387.td-b3lyp_6-31+g(d).firefly.inp (generated)

051008387.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051008387.mol 051008387.PUBCHEM 051008387.mol (via Jmol)
051008449.b3lyp_6-31g(d).inp

051008449.b3lyp_6-31g(d).qchem.inp (generated)

051008449.b3lyp_6-31g(d).gjf (generated)

051008449.b3lyp_6-31g(d).firefly.inp (generated)

051008449.b3lyp_6-31g(d).smash.inp (generated)

051008449.b3lyp_6-31g(d).nwchem.inp (generated) 051008449.b3lyp_6-31g(d).log.xz 051008449.td-b3lyp_6-31g+(d).inp 051008449.td-b3lyp_6-31g+(d).log.xz

051008449.td-b3lyp_6-31+g(d).qchem.inp (generated)

051008449.td-b3lyp_6-31+g(d).gjf (generated)

051008449.td-b3lyp_6-31+g(d).firefly.inp (generated)

051008449.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051008449.mol 051008449.PUBCHEM 051008449.mol (via Jmol)
051012060.b3lyp_6-31g(d).inp

051012060.b3lyp_6-31g(d).qchem.inp (generated)

051012060.b3lyp_6-31g(d).gjf (generated)

051012060.b3lyp_6-31g(d).firefly.inp (generated)

051012060.b3lyp_6-31g(d).smash.inp (generated)

051012060.b3lyp_6-31g(d).nwchem.inp (generated) 051012060.b3lyp_6-31g(d).log.xz 051012060.td-b3lyp_6-31g+(d).inp 051012060.td-b3lyp_6-31g+(d).log.xz

051012060.td-b3lyp_6-31+g(d).qchem.inp (generated)

051012060.td-b3lyp_6-31+g(d).gjf (generated)

051012060.td-b3lyp_6-31+g(d).firefly.inp (generated)

051012060.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051012060.mol 051012060.PUBCHEM 051012060.mol (via Jmol)
051012172.b3lyp_6-31g(d).inp

051012172.b3lyp_6-31g(d).qchem.inp (generated)

051012172.b3lyp_6-31g(d).gjf (generated)

051012172.b3lyp_6-31g(d).firefly.inp (generated)

051012172.b3lyp_6-31g(d).smash.inp (generated)

051012172.b3lyp_6-31g(d).nwchem.inp (generated) 051012172.b3lyp_6-31g(d).log.xz 051012172.mol 051012172.PUBCHEM 051012172.mol (via Jmol)
051012399.b3lyp_6-31g(d).inp

051012399.b3lyp_6-31g(d).qchem.inp (generated)

051012399.b3lyp_6-31g(d).gjf (generated)

051012399.b3lyp_6-31g(d).firefly.inp (generated)

051012399.b3lyp_6-31g(d).smash.inp (generated)

051012399.b3lyp_6-31g(d).nwchem.inp (generated) 051012399.b3lyp_6-31g(d).log.xz 051012399.td-b3lyp_6-31g+(d).inp 051012399.td-b3lyp_6-31g+(d).log.xz

051012399.td-b3lyp_6-31+g(d).qchem.inp (generated)

051012399.td-b3lyp_6-31+g(d).gjf (generated)

051012399.td-b3lyp_6-31+g(d).firefly.inp (generated)

051012399.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051012399.mol 051012399.PUBCHEM 051012399.mol (via Jmol)
051012491.b3lyp_6-31g(d).inp

051012491.b3lyp_6-31g(d).qchem.inp (generated)

051012491.b3lyp_6-31g(d).gjf (generated)

051012491.b3lyp_6-31g(d).firefly.inp (generated)

051012491.b3lyp_6-31g(d).smash.inp (generated)

051012491.b3lyp_6-31g(d).nwchem.inp (generated) 051012491.b3lyp_6-31g(d).log.xz 051012491.td-b3lyp_6-31g+(d).inp 051012491.td-b3lyp_6-31g+(d).log.xz

051012491.td-b3lyp_6-31+g(d).qchem.inp (generated)

051012491.td-b3lyp_6-31+g(d).gjf (generated)

051012491.td-b3lyp_6-31+g(d).firefly.inp (generated)

051012491.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051012491.mol 051012491.PUBCHEM 051012491.mol (via Jmol)
051012602.b3lyp_6-31g(d).inp

051012602.b3lyp_6-31g(d).qchem.inp (generated)

051012602.b3lyp_6-31g(d).gjf (generated)

051012602.b3lyp_6-31g(d).firefly.inp (generated)

051012602.b3lyp_6-31g(d).smash.inp (generated)

051012602.b3lyp_6-31g(d).nwchem.inp (generated) 051012602.b3lyp_6-31g(d).log.xz 051012602.mol 051012602.PUBCHEM 051012602.mol (via Jmol)
051013041.b3lyp_6-31g(d).inp

051013041.b3lyp_6-31g(d).qchem.inp (generated)

051013041.b3lyp_6-31g(d).gjf (generated)

051013041.b3lyp_6-31g(d).firefly.inp (generated)

051013041.b3lyp_6-31g(d).smash.inp (generated)

051013041.b3lyp_6-31g(d).nwchem.inp (generated) 051013041.b3lyp_6-31g(d).log.xz 051013041.td-b3lyp_6-31g+(d).inp 051013041.td-b3lyp_6-31g+(d).log.xz

051013041.td-b3lyp_6-31+g(d).qchem.inp (generated)

051013041.td-b3lyp_6-31+g(d).gjf (generated)

051013041.td-b3lyp_6-31+g(d).firefly.inp (generated)

051013041.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051013041.mol 051013041.PUBCHEM 051013041.mol (via Jmol)
051013652.b3lyp_6-31g(d).inp

051013652.b3lyp_6-31g(d).qchem.inp (generated)

051013652.b3lyp_6-31g(d).gjf (generated)

051013652.b3lyp_6-31g(d).firefly.inp (generated)

051013652.b3lyp_6-31g(d).smash.inp (generated)

051013652.b3lyp_6-31g(d).nwchem.inp (generated) 051013652.b3lyp_6-31g(d).log.xz 051013652.td-b3lyp_6-31g+(d).inp 051013652.td-b3lyp_6-31g+(d).log.xz

051013652.td-b3lyp_6-31+g(d).qchem.inp (generated)

051013652.td-b3lyp_6-31+g(d).gjf (generated)

051013652.td-b3lyp_6-31+g(d).firefly.inp (generated)

051013652.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051013652.mol 051013652.PUBCHEM 051013652.mol (via Jmol)
051014120.b3lyp_6-31g(d).inp

051014120.b3lyp_6-31g(d).qchem.inp (generated)

051014120.b3lyp_6-31g(d).gjf (generated)

051014120.b3lyp_6-31g(d).firefly.inp (generated)

051014120.b3lyp_6-31g(d).smash.inp (generated)

051014120.b3lyp_6-31g(d).nwchem.inp (generated) 051014120.b3lyp_6-31g(d).log.xz 051014120.td-b3lyp_6-31g+(d).inp 051014120.td-b3lyp_6-31g+(d).log.xz

051014120.td-b3lyp_6-31+g(d).qchem.inp (generated)

051014120.td-b3lyp_6-31+g(d).gjf (generated)

051014120.td-b3lyp_6-31+g(d).firefly.inp (generated)

051014120.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051014120.mol 051014120.PUBCHEM 051014120.mol (via Jmol)
051014940.b3lyp_6-31g(d).inp

051014940.b3lyp_6-31g(d).qchem.inp (generated)

051014940.b3lyp_6-31g(d).gjf (generated)

051014940.b3lyp_6-31g(d).firefly.inp (generated)

051014940.b3lyp_6-31g(d).smash.inp (generated)

051014940.b3lyp_6-31g(d).nwchem.inp (generated) 051014940.b3lyp_6-31g(d).log.xz 051014940.mol 051014940.PUBCHEM 051014940.mol (via Jmol)
051015865.b3lyp_6-31g(d).inp

051015865.b3lyp_6-31g(d).qchem.inp (generated)

051015865.b3lyp_6-31g(d).gjf (generated)

051015865.b3lyp_6-31g(d).firefly.inp (generated)

051015865.b3lyp_6-31g(d).smash.inp (generated)

051015865.b3lyp_6-31g(d).nwchem.inp (generated) 051015865.b3lyp_6-31g(d).log.xz 051015865.td-b3lyp_6-31g+(d).inp 051015865.td-b3lyp_6-31g+(d).log.xz

051015865.td-b3lyp_6-31+g(d).qchem.inp (generated)

051015865.td-b3lyp_6-31+g(d).gjf (generated)

051015865.td-b3lyp_6-31+g(d).firefly.inp (generated)

051015865.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051015865.mol 051015865.PUBCHEM 051015865.mol (via Jmol)
051015866.b3lyp_6-31g(d).inp

051015866.b3lyp_6-31g(d).qchem.inp (generated)

051015866.b3lyp_6-31g(d).gjf (generated)

051015866.b3lyp_6-31g(d).firefly.inp (generated)

051015866.b3lyp_6-31g(d).smash.inp (generated)

051015866.b3lyp_6-31g(d).nwchem.inp (generated) 051015866.b3lyp_6-31g(d).log.xz 051015866.td-b3lyp_6-31g+(d).inp 051015866.td-b3lyp_6-31g+(d).log.xz

051015866.td-b3lyp_6-31+g(d).qchem.inp (generated)

051015866.td-b3lyp_6-31+g(d).gjf (generated)

051015866.td-b3lyp_6-31+g(d).firefly.inp (generated)

051015866.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051015866.mol 051015866.PUBCHEM 051015866.mol (via Jmol)
051016302.b3lyp_6-31g(d).inp

051016302.b3lyp_6-31g(d).qchem.inp (generated)

051016302.b3lyp_6-31g(d).gjf (generated)

051016302.b3lyp_6-31g(d).firefly.inp (generated)

051016302.b3lyp_6-31g(d).smash.inp (generated)

051016302.b3lyp_6-31g(d).nwchem.inp (generated) 051016302.b3lyp_6-31g(d).log.xz 051016302.td-b3lyp_6-31g+(d).inp 051016302.td-b3lyp_6-31g+(d).log.xz

051016302.td-b3lyp_6-31+g(d).qchem.inp (generated)

051016302.td-b3lyp_6-31+g(d).gjf (generated)

051016302.td-b3lyp_6-31+g(d).firefly.inp (generated)

051016302.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051016302.mol 051016302.PUBCHEM 051016302.mol (via Jmol)
051016303.b3lyp_6-31g(d).inp

051016303.b3lyp_6-31g(d).qchem.inp (generated)

051016303.b3lyp_6-31g(d).gjf (generated)

051016303.b3lyp_6-31g(d).firefly.inp (generated)

051016303.b3lyp_6-31g(d).smash.inp (generated)

051016303.b3lyp_6-31g(d).nwchem.inp (generated) 051016303.b3lyp_6-31g(d).log.xz 051016303.td-b3lyp_6-31g+(d).inp 051016303.td-b3lyp_6-31g+(d).log.xz

051016303.td-b3lyp_6-31+g(d).qchem.inp (generated)

051016303.td-b3lyp_6-31+g(d).gjf (generated)

051016303.td-b3lyp_6-31+g(d).firefly.inp (generated)

051016303.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051016303.mol 051016303.PUBCHEM 051016303.mol (via Jmol)
051016304.b3lyp_6-31g(d).inp

051016304.b3lyp_6-31g(d).qchem.inp (generated)

051016304.b3lyp_6-31g(d).gjf (generated)

051016304.b3lyp_6-31g(d).firefly.inp (generated)

051016304.b3lyp_6-31g(d).smash.inp (generated)

051016304.b3lyp_6-31g(d).nwchem.inp (generated) 051016304.b3lyp_6-31g(d).log.xz 051016304.td-b3lyp_6-31g+(d).inp 051016304.td-b3lyp_6-31g+(d).log.xz

051016304.td-b3lyp_6-31+g(d).qchem.inp (generated)

051016304.td-b3lyp_6-31+g(d).gjf (generated)

051016304.td-b3lyp_6-31+g(d).firefly.inp (generated)

051016304.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051016304.mol 051016304.PUBCHEM 051016304.mol (via Jmol)
051016320.b3lyp_6-31g(d).inp

051016320.b3lyp_6-31g(d).qchem.inp (generated)

051016320.b3lyp_6-31g(d).gjf (generated)

051016320.b3lyp_6-31g(d).firefly.inp (generated)

051016320.b3lyp_6-31g(d).smash.inp (generated)

051016320.b3lyp_6-31g(d).nwchem.inp (generated) 051016320.b3lyp_6-31g(d).log.xz 051016320.td-b3lyp_6-31g+(d).inp 051016320.td-b3lyp_6-31g+(d).log.xz

051016320.td-b3lyp_6-31+g(d).qchem.inp (generated)

051016320.td-b3lyp_6-31+g(d).gjf (generated)

051016320.td-b3lyp_6-31+g(d).firefly.inp (generated)

051016320.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051016320.mol 051016320.PUBCHEM 051016320.mol (via Jmol)
051017108.b3lyp_6-31g(d).inp

051017108.b3lyp_6-31g(d).qchem.inp (generated)

051017108.b3lyp_6-31g(d).gjf (generated)

051017108.b3lyp_6-31g(d).firefly.inp (generated)

051017108.b3lyp_6-31g(d).smash.inp (generated)

051017108.b3lyp_6-31g(d).nwchem.inp (generated) 051017108.b3lyp_6-31g(d).log.xz 051017108.td-b3lyp_6-31g+(d).inp 051017108.td-b3lyp_6-31g+(d).log.xz

051017108.td-b3lyp_6-31+g(d).qchem.inp (generated)

051017108.td-b3lyp_6-31+g(d).gjf (generated)

051017108.td-b3lyp_6-31+g(d).firefly.inp (generated)

051017108.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051017108.mol 051017108.PUBCHEM 051017108.mol (via Jmol)
051017361.b3lyp_6-31g(d).inp

051017361.b3lyp_6-31g(d).qchem.inp (generated)

051017361.b3lyp_6-31g(d).gjf (generated)

051017361.b3lyp_6-31g(d).firefly.inp (generated)

051017361.b3lyp_6-31g(d).smash.inp (generated)

051017361.b3lyp_6-31g(d).nwchem.inp (generated) 051017361.b3lyp_6-31g(d).log.xz 051017361.td-b3lyp_6-31g+(d).inp 051017361.td-b3lyp_6-31g+(d).log.xz

051017361.td-b3lyp_6-31+g(d).qchem.inp (generated)

051017361.td-b3lyp_6-31+g(d).gjf (generated)

051017361.td-b3lyp_6-31+g(d).firefly.inp (generated)

051017361.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051017361.mol 051017361.PUBCHEM 051017361.mol (via Jmol)
051018244.b3lyp_6-31g(d).inp

051018244.b3lyp_6-31g(d).qchem.inp (generated)

051018244.b3lyp_6-31g(d).gjf (generated)

051018244.b3lyp_6-31g(d).firefly.inp (generated)

051018244.b3lyp_6-31g(d).smash.inp (generated)

051018244.b3lyp_6-31g(d).nwchem.inp (generated) 051018244.b3lyp_6-31g(d).log.xz 051018244.td-b3lyp_6-31g+(d).inp 051018244.td-b3lyp_6-31g+(d).log.xz

051018244.td-b3lyp_6-31+g(d).qchem.inp (generated)

051018244.td-b3lyp_6-31+g(d).gjf (generated)

051018244.td-b3lyp_6-31+g(d).firefly.inp (generated)

051018244.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051018244.mol 051018244.PUBCHEM 051018244.mol (via Jmol)
051018300.b3lyp_6-31g(d).inp

051018300.b3lyp_6-31g(d).qchem.inp (generated)

051018300.b3lyp_6-31g(d).gjf (generated)

051018300.b3lyp_6-31g(d).firefly.inp (generated)

051018300.b3lyp_6-31g(d).smash.inp (generated)

051018300.b3lyp_6-31g(d).nwchem.inp (generated) 051018300.b3lyp_6-31g(d).log.xz 051018300.td-b3lyp_6-31g+(d).inp 051018300.td-b3lyp_6-31g+(d).log.xz

051018300.td-b3lyp_6-31+g(d).qchem.inp (generated)

051018300.td-b3lyp_6-31+g(d).gjf (generated)

051018300.td-b3lyp_6-31+g(d).firefly.inp (generated)

051018300.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051018300.mol 051018300.PUBCHEM 051018300.mol (via Jmol)
051018852.b3lyp_6-31g(d).inp

051018852.b3lyp_6-31g(d).qchem.inp (generated)

051018852.b3lyp_6-31g(d).gjf (generated)

051018852.b3lyp_6-31g(d).firefly.inp (generated)

051018852.b3lyp_6-31g(d).smash.inp (generated)

051018852.b3lyp_6-31g(d).nwchem.inp (generated) 051018852.b3lyp_6-31g(d).log.xz 051018852.td-b3lyp_6-31g+(d).inp 051018852.td-b3lyp_6-31g+(d).log.xz

051018852.td-b3lyp_6-31+g(d).qchem.inp (generated)

051018852.td-b3lyp_6-31+g(d).gjf (generated)

051018852.td-b3lyp_6-31+g(d).firefly.inp (generated)

051018852.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051018852.mol 051018852.PUBCHEM 051018852.mol (via Jmol)
051019042.b3lyp_6-31g(d).inp

051019042.b3lyp_6-31g(d).qchem.inp (generated)

051019042.b3lyp_6-31g(d).gjf (generated)

051019042.b3lyp_6-31g(d).firefly.inp (generated)

051019042.b3lyp_6-31g(d).smash.inp (generated)

051019042.b3lyp_6-31g(d).nwchem.inp (generated) 051019042.b3lyp_6-31g(d).log.xz 051019042.td-b3lyp_6-31g+(d).inp 051019042.td-b3lyp_6-31g+(d).log.xz

051019042.td-b3lyp_6-31+g(d).qchem.inp (generated)

051019042.td-b3lyp_6-31+g(d).gjf (generated)

051019042.td-b3lyp_6-31+g(d).firefly.inp (generated)

051019042.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051019042.mol 051019042.PUBCHEM 051019042.mol (via Jmol)
051019050.b3lyp_6-31g(d).inp

051019050.b3lyp_6-31g(d).qchem.inp (generated)

051019050.b3lyp_6-31g(d).gjf (generated)

051019050.b3lyp_6-31g(d).firefly.inp (generated)

051019050.b3lyp_6-31g(d).smash.inp (generated)

051019050.b3lyp_6-31g(d).nwchem.inp (generated) 051019050.b3lyp_6-31g(d).log.xz 051019050.td-b3lyp_6-31g+(d).inp 051019050.td-b3lyp_6-31g+(d).log.xz

051019050.td-b3lyp_6-31+g(d).qchem.inp (generated)

051019050.td-b3lyp_6-31+g(d).gjf (generated)

051019050.td-b3lyp_6-31+g(d).firefly.inp (generated)

051019050.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051019050.mol 051019050.PUBCHEM 051019050.mol (via Jmol)
051019192.b3lyp_6-31g(d).inp

051019192.b3lyp_6-31g(d).qchem.inp (generated)

051019192.b3lyp_6-31g(d).gjf (generated)

051019192.b3lyp_6-31g(d).firefly.inp (generated)

051019192.b3lyp_6-31g(d).smash.inp (generated)

051019192.b3lyp_6-31g(d).nwchem.inp (generated) 051019192.b3lyp_6-31g(d).log.xz 051019192.mol 051019192.PUBCHEM 051019192.mol (via Jmol)
051019193.b3lyp_6-31g(d).inp

051019193.b3lyp_6-31g(d).qchem.inp (generated)

051019193.b3lyp_6-31g(d).gjf (generated)

051019193.b3lyp_6-31g(d).firefly.inp (generated)

051019193.b3lyp_6-31g(d).smash.inp (generated)

051019193.b3lyp_6-31g(d).nwchem.inp (generated) 051019193.b3lyp_6-31g(d).log.xz 051019193.mol 051019193.PUBCHEM 051019193.mol (via Jmol)
051019850.b3lyp_6-31g(d).inp

051019850.b3lyp_6-31g(d).qchem.inp (generated)

051019850.b3lyp_6-31g(d).gjf (generated)

051019850.b3lyp_6-31g(d).firefly.inp (generated)

051019850.b3lyp_6-31g(d).smash.inp (generated)

051019850.b3lyp_6-31g(d).nwchem.inp (generated) 051019850.b3lyp_6-31g(d).log.xz 051019850.mol 051019850.PUBCHEM 051019850.mol (via Jmol)
051020147.b3lyp_6-31g(d).inp

051020147.b3lyp_6-31g(d).qchem.inp (generated)

051020147.b3lyp_6-31g(d).gjf (generated)

051020147.b3lyp_6-31g(d).firefly.inp (generated)

051020147.b3lyp_6-31g(d).smash.inp (generated)

051020147.b3lyp_6-31g(d).nwchem.inp (generated) 051020147.b3lyp_6-31g(d).log.xz 051020147.td-b3lyp_6-31g+(d).inp 051020147.td-b3lyp_6-31g+(d).log.xz

051020147.td-b3lyp_6-31+g(d).qchem.inp (generated)

051020147.td-b3lyp_6-31+g(d).gjf (generated)

051020147.td-b3lyp_6-31+g(d).firefly.inp (generated)

051020147.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051020147.mol 051020147.PUBCHEM 051020147.mol (via Jmol)
051021690.b3lyp_6-31g(d).inp

051021690.b3lyp_6-31g(d).qchem.inp (generated)

051021690.b3lyp_6-31g(d).gjf (generated)

051021690.b3lyp_6-31g(d).firefly.inp (generated)

051021690.b3lyp_6-31g(d).smash.inp (generated)

051021690.b3lyp_6-31g(d).nwchem.inp (generated) 051021690.b3lyp_6-31g(d).log.xz 051021690.td-b3lyp_6-31g+(d).inp 051021690.td-b3lyp_6-31g+(d).log.xz

051021690.td-b3lyp_6-31+g(d).qchem.inp (generated)

051021690.td-b3lyp_6-31+g(d).gjf (generated)

051021690.td-b3lyp_6-31+g(d).firefly.inp (generated)

051021690.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051021690.mol 051021690.PUBCHEM 051021690.mol (via Jmol)
051023221.b3lyp_6-31g(d).inp

051023221.b3lyp_6-31g(d).qchem.inp (generated)

051023221.b3lyp_6-31g(d).gjf (generated)

051023221.b3lyp_6-31g(d).firefly.inp (generated)

051023221.b3lyp_6-31g(d).smash.inp (generated)

051023221.b3lyp_6-31g(d).nwchem.inp (generated) 051023221.b3lyp_6-31g(d).log.xz 051023221.td-b3lyp_6-31g+(d).inp 051023221.td-b3lyp_6-31g+(d).log.xz

051023221.td-b3lyp_6-31+g(d).qchem.inp (generated)

051023221.td-b3lyp_6-31+g(d).gjf (generated)

051023221.td-b3lyp_6-31+g(d).firefly.inp (generated)

051023221.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051023221.mol 051023221.PUBCHEM 051023221.mol (via Jmol)


maho@riken.jp/maho.nakata@gmail.com