Index of

Last updated : Thu Feb 23 01:59:54 JST 2017
Total : 8466 (8015) in this page
000125029.b3lyp_6-31g(d).inp

000125029.b3lyp_6-31g(d).qchem.inp (generated)

000125029.b3lyp_6-31g(d).gjf (generated)

000125029.b3lyp_6-31g(d).firefly.inp (generated)

000125029.b3lyp_6-31g(d).smash.inp (generated)

000125029.b3lyp_6-31g(d).nwchem.inp (generated) 000125029.b3lyp_6-31g(d).log.xz 000125029.td-b3lyp_6-31g+(d).inp 000125029.td-b3lyp_6-31g+(d).log.xz

000125029.td-b3lyp_6-31+g(d).qchem.inp (generated)

000125029.td-b3lyp_6-31+g(d).gjf (generated)

000125029.td-b3lyp_6-31+g(d).firefly.inp (generated)

000125029.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000125029.mol 000125029.PUBCHEM 000125029.mol (via Jmol)
000125033.b3lyp_6-31g(d).inp

000125033.b3lyp_6-31g(d).qchem.inp (generated)

000125033.b3lyp_6-31g(d).gjf (generated)

000125033.b3lyp_6-31g(d).firefly.inp (generated)

000125033.b3lyp_6-31g(d).smash.inp (generated)

000125033.b3lyp_6-31g(d).nwchem.inp (generated) 000125033.b3lyp_6-31g(d).log.xz 000125033.td-b3lyp_6-31g+(d).inp 000125033.td-b3lyp_6-31g+(d).log.xz

000125033.td-b3lyp_6-31+g(d).qchem.inp (generated)

000125033.td-b3lyp_6-31+g(d).gjf (generated)

000125033.td-b3lyp_6-31+g(d).firefly.inp (generated)

000125033.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000125033.mol 000125033.PUBCHEM 000125033.mol (via Jmol)
000125037.b3lyp_6-31g(d).inp

000125037.b3lyp_6-31g(d).qchem.inp (generated)

000125037.b3lyp_6-31g(d).gjf (generated)

000125037.b3lyp_6-31g(d).firefly.inp (generated)

000125037.b3lyp_6-31g(d).smash.inp (generated)

000125037.b3lyp_6-31g(d).nwchem.inp (generated) 000125037.b3lyp_6-31g(d).log.xz 000125037.td-b3lyp_6-31g+(d).inp 000125037.td-b3lyp_6-31g+(d).log.xz

000125037.td-b3lyp_6-31+g(d).qchem.inp (generated)

000125037.td-b3lyp_6-31+g(d).gjf (generated)

000125037.td-b3lyp_6-31+g(d).firefly.inp (generated)

000125037.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000125037.mol 000125037.PUBCHEM 000125037.mol (via Jmol)
000125041.b3lyp_6-31g(d).inp

000125041.b3lyp_6-31g(d).qchem.inp (generated)

000125041.b3lyp_6-31g(d).gjf (generated)

000125041.b3lyp_6-31g(d).firefly.inp (generated)

000125041.b3lyp_6-31g(d).smash.inp (generated)

000125041.b3lyp_6-31g(d).nwchem.inp (generated) 000125041.b3lyp_6-31g(d).log.xz 000125041.td-b3lyp_6-31g+(d).inp 000125041.td-b3lyp_6-31g+(d).log.xz

000125041.td-b3lyp_6-31+g(d).qchem.inp (generated)

000125041.td-b3lyp_6-31+g(d).gjf (generated)

000125041.td-b3lyp_6-31+g(d).firefly.inp (generated)

000125041.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000125041.mol 000125041.PUBCHEM 000125041.mol (via Jmol)
000125042.b3lyp_6-31g(d).inp

000125042.b3lyp_6-31g(d).qchem.inp (generated)

000125042.b3lyp_6-31g(d).gjf (generated)

000125042.b3lyp_6-31g(d).firefly.inp (generated)

000125042.b3lyp_6-31g(d).smash.inp (generated)

000125042.b3lyp_6-31g(d).nwchem.inp (generated) 000125042.b3lyp_6-31g(d).log.xz 000125042.td-b3lyp_6-31g+(d).inp 000125042.td-b3lyp_6-31g+(d).log.xz

000125042.td-b3lyp_6-31+g(d).qchem.inp (generated)

000125042.td-b3lyp_6-31+g(d).gjf (generated)

000125042.td-b3lyp_6-31+g(d).firefly.inp (generated)

000125042.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000125042.mol 000125042.PUBCHEM 000125042.mol (via Jmol)
000125055.b3lyp_6-31g(d).inp

000125055.b3lyp_6-31g(d).qchem.inp (generated)

000125055.b3lyp_6-31g(d).gjf (generated)

000125055.b3lyp_6-31g(d).firefly.inp (generated)

000125055.b3lyp_6-31g(d).smash.inp (generated)

000125055.b3lyp_6-31g(d).nwchem.inp (generated) 000125055.b3lyp_6-31g(d).log.xz 000125055.mol 000125055.PUBCHEM 000125055.mol (via Jmol)
000125068.b3lyp_6-31g(d).inp

000125068.b3lyp_6-31g(d).qchem.inp (generated)

000125068.b3lyp_6-31g(d).gjf (generated)

000125068.b3lyp_6-31g(d).firefly.inp (generated)

000125068.b3lyp_6-31g(d).smash.inp (generated)

000125068.b3lyp_6-31g(d).nwchem.inp (generated) 000125068.b3lyp_6-31g(d).log.xz 000125068.td-b3lyp_6-31g+(d).inp 000125068.td-b3lyp_6-31g+(d).log.xz

000125068.td-b3lyp_6-31+g(d).qchem.inp (generated)

000125068.td-b3lyp_6-31+g(d).gjf (generated)

000125068.td-b3lyp_6-31+g(d).firefly.inp (generated)

000125068.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000125068.mol 000125068.PUBCHEM 000125068.mol (via Jmol)
000125074.b3lyp_6-31g(d).inp

000125074.b3lyp_6-31g(d).qchem.inp (generated)

000125074.b3lyp_6-31g(d).gjf (generated)

000125074.b3lyp_6-31g(d).firefly.inp (generated)

000125074.b3lyp_6-31g(d).smash.inp (generated)

000125074.b3lyp_6-31g(d).nwchem.inp (generated) 000125074.b3lyp_6-31g(d).log.xz 000125074.td-b3lyp_6-31g+(d).inp 000125074.td-b3lyp_6-31g+(d).log.xz

000125074.td-b3lyp_6-31+g(d).qchem.inp (generated)

000125074.td-b3lyp_6-31+g(d).gjf (generated)

000125074.td-b3lyp_6-31+g(d).firefly.inp (generated)

000125074.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000125074.mol 000125074.PUBCHEM 000125074.mol (via Jmol)
000125075.b3lyp_6-31g(d).inp

000125075.b3lyp_6-31g(d).qchem.inp (generated)

000125075.b3lyp_6-31g(d).gjf (generated)

000125075.b3lyp_6-31g(d).firefly.inp (generated)

000125075.b3lyp_6-31g(d).smash.inp (generated)

000125075.b3lyp_6-31g(d).nwchem.inp (generated) 000125075.b3lyp_6-31g(d).log.xz 000125075.mol 000125075.PUBCHEM 000125075.mol (via Jmol)
000125083.b3lyp_6-31g(d).inp

000125083.b3lyp_6-31g(d).qchem.inp (generated)

000125083.b3lyp_6-31g(d).gjf (generated)

000125083.b3lyp_6-31g(d).firefly.inp (generated)

000125083.b3lyp_6-31g(d).smash.inp (generated)

000125083.b3lyp_6-31g(d).nwchem.inp (generated) 000125083.b3lyp_6-31g(d).log.xz 000125083.td-b3lyp_6-31g+(d).inp 000125083.td-b3lyp_6-31g+(d).log.xz

000125083.td-b3lyp_6-31+g(d).qchem.inp (generated)

000125083.td-b3lyp_6-31+g(d).gjf (generated)

000125083.td-b3lyp_6-31+g(d).firefly.inp (generated)

000125083.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000125083.mol 000125083.PUBCHEM 000125083.mol (via Jmol)
000125089.b3lyp_6-31g(d).inp

000125089.b3lyp_6-31g(d).qchem.inp (generated)

000125089.b3lyp_6-31g(d).gjf (generated)

000125089.b3lyp_6-31g(d).firefly.inp (generated)

000125089.b3lyp_6-31g(d).smash.inp (generated)

000125089.b3lyp_6-31g(d).nwchem.inp (generated) 000125089.b3lyp_6-31g(d).log.xz 000125089.td-b3lyp_6-31g+(d).inp 000125089.td-b3lyp_6-31g+(d).log.xz

000125089.td-b3lyp_6-31+g(d).qchem.inp (generated)

000125089.td-b3lyp_6-31+g(d).gjf (generated)

000125089.td-b3lyp_6-31+g(d).firefly.inp (generated)

000125089.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000125089.mol 000125089.PUBCHEM 000125089.mol (via Jmol)
000125094.b3lyp_6-31g(d).inp

000125094.b3lyp_6-31g(d).qchem.inp (generated)

000125094.b3lyp_6-31g(d).gjf (generated)

000125094.b3lyp_6-31g(d).firefly.inp (generated)

000125094.b3lyp_6-31g(d).smash.inp (generated)

000125094.b3lyp_6-31g(d).nwchem.inp (generated) 000125094.b3lyp_6-31g(d).log.xz 000125094.td-b3lyp_6-31g+(d).inp 000125094.td-b3lyp_6-31g+(d).log.xz

000125094.td-b3lyp_6-31+g(d).qchem.inp (generated)

000125094.td-b3lyp_6-31+g(d).gjf (generated)

000125094.td-b3lyp_6-31+g(d).firefly.inp (generated)

000125094.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000125094.mol 000125094.PUBCHEM 000125094.mol (via Jmol)
000125096.b3lyp_6-31g(d).inp

000125096.b3lyp_6-31g(d).qchem.inp (generated)

000125096.b3lyp_6-31g(d).gjf (generated)

000125096.b3lyp_6-31g(d).firefly.inp (generated)

000125096.b3lyp_6-31g(d).smash.inp (generated)

000125096.b3lyp_6-31g(d).nwchem.inp (generated) 000125096.b3lyp_6-31g(d).log.xz 000125096.td-b3lyp_6-31g+(d).inp 000125096.td-b3lyp_6-31g+(d).log.xz

000125096.td-b3lyp_6-31+g(d).qchem.inp (generated)

000125096.td-b3lyp_6-31+g(d).gjf (generated)

000125096.td-b3lyp_6-31+g(d).firefly.inp (generated)

000125096.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000125096.mol 000125096.PUBCHEM 000125096.mol (via Jmol)
000125108.b3lyp_6-31g(d).inp

000125108.b3lyp_6-31g(d).qchem.inp (generated)

000125108.b3lyp_6-31g(d).gjf (generated)

000125108.b3lyp_6-31g(d).firefly.inp (generated)

000125108.b3lyp_6-31g(d).smash.inp (generated)

000125108.b3lyp_6-31g(d).nwchem.inp (generated) 000125108.b3lyp_6-31g(d).log.xz 000125108.td-b3lyp_6-31g+(d).inp 000125108.td-b3lyp_6-31g+(d).log.xz

000125108.td-b3lyp_6-31+g(d).qchem.inp (generated)

000125108.td-b3lyp_6-31+g(d).gjf (generated)

000125108.td-b3lyp_6-31+g(d).firefly.inp (generated)

000125108.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000125108.mol 000125108.PUBCHEM 000125108.mol (via Jmol)
000125110.b3lyp_6-31g(d).inp

000125110.b3lyp_6-31g(d).qchem.inp (generated)

000125110.b3lyp_6-31g(d).gjf (generated)

000125110.b3lyp_6-31g(d).firefly.inp (generated)

000125110.b3lyp_6-31g(d).smash.inp (generated)

000125110.b3lyp_6-31g(d).nwchem.inp (generated) 000125110.b3lyp_6-31g(d).log.xz 000125110.td-b3lyp_6-31g+(d).inp 000125110.td-b3lyp_6-31g+(d).log.xz

000125110.td-b3lyp_6-31+g(d).qchem.inp (generated)

000125110.td-b3lyp_6-31+g(d).gjf (generated)

000125110.td-b3lyp_6-31+g(d).firefly.inp (generated)

000125110.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000125110.mol 000125110.PUBCHEM 000125110.mol (via Jmol)
000125114.b3lyp_6-31g(d).inp

000125114.b3lyp_6-31g(d).qchem.inp (generated)

000125114.b3lyp_6-31g(d).gjf (generated)

000125114.b3lyp_6-31g(d).firefly.inp (generated)

000125114.b3lyp_6-31g(d).smash.inp (generated)

000125114.b3lyp_6-31g(d).nwchem.inp (generated) 000125114.b3lyp_6-31g(d).log.xz 000125114.td-b3lyp_6-31g+(d).inp 000125114.td-b3lyp_6-31g+(d).log.xz

000125114.td-b3lyp_6-31+g(d).qchem.inp (generated)

000125114.td-b3lyp_6-31+g(d).gjf (generated)

000125114.td-b3lyp_6-31+g(d).firefly.inp (generated)

000125114.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000125114.mol 000125114.PUBCHEM 000125114.mol (via Jmol)
000125125.b3lyp_6-31g(d).inp

000125125.b3lyp_6-31g(d).qchem.inp (generated)

000125125.b3lyp_6-31g(d).gjf (generated)

000125125.b3lyp_6-31g(d).firefly.inp (generated)

000125125.b3lyp_6-31g(d).smash.inp (generated)

000125125.b3lyp_6-31g(d).nwchem.inp (generated) 000125125.b3lyp_6-31g(d).log.xz 000125125.mol 000125125.PUBCHEM 000125125.mol (via Jmol)
000125126.b3lyp_6-31g(d).inp

000125126.b3lyp_6-31g(d).qchem.inp (generated)

000125126.b3lyp_6-31g(d).gjf (generated)

000125126.b3lyp_6-31g(d).firefly.inp (generated)

000125126.b3lyp_6-31g(d).smash.inp (generated)

000125126.b3lyp_6-31g(d).nwchem.inp (generated) 000125126.b3lyp_6-31g(d).log.xz 000125126.td-b3lyp_6-31g+(d).inp 000125126.td-b3lyp_6-31g+(d).log.xz

000125126.td-b3lyp_6-31+g(d).qchem.inp (generated)

000125126.td-b3lyp_6-31+g(d).gjf (generated)

000125126.td-b3lyp_6-31+g(d).firefly.inp (generated)

000125126.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000125126.mol 000125126.PUBCHEM 000125126.mol (via Jmol)
000125156.b3lyp_6-31g(d).inp

000125156.b3lyp_6-31g(d).qchem.inp (generated)

000125156.b3lyp_6-31g(d).gjf (generated)

000125156.b3lyp_6-31g(d).firefly.inp (generated)

000125156.b3lyp_6-31g(d).smash.inp (generated)

000125156.b3lyp_6-31g(d).nwchem.inp (generated) 000125156.b3lyp_6-31g(d).log.xz 000125156.td-b3lyp_6-31g+(d).inp 000125156.td-b3lyp_6-31g+(d).log.xz

000125156.td-b3lyp_6-31+g(d).qchem.inp (generated)

000125156.td-b3lyp_6-31+g(d).gjf (generated)

000125156.td-b3lyp_6-31+g(d).firefly.inp (generated)

000125156.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000125156.mol 000125156.PUBCHEM 000125156.mol (via Jmol)
000125169.b3lyp_6-31g(d).inp

000125169.b3lyp_6-31g(d).qchem.inp (generated)

000125169.b3lyp_6-31g(d).gjf (generated)

000125169.b3lyp_6-31g(d).firefly.inp (generated)

000125169.b3lyp_6-31g(d).smash.inp (generated)

000125169.b3lyp_6-31g(d).nwchem.inp (generated) 000125169.b3lyp_6-31g(d).log.xz 000125169.td-b3lyp_6-31g+(d).inp 000125169.td-b3lyp_6-31g+(d).log.xz

000125169.td-b3lyp_6-31+g(d).qchem.inp (generated)

000125169.td-b3lyp_6-31+g(d).gjf (generated)

000125169.td-b3lyp_6-31+g(d).firefly.inp (generated)

000125169.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000125169.mol 000125169.PUBCHEM 000125169.mol (via Jmol)
000125176.b3lyp_6-31g(d).inp

000125176.b3lyp_6-31g(d).qchem.inp (generated)

000125176.b3lyp_6-31g(d).gjf (generated)

000125176.b3lyp_6-31g(d).firefly.inp (generated)

000125176.b3lyp_6-31g(d).smash.inp (generated)

000125176.b3lyp_6-31g(d).nwchem.inp (generated) 000125176.b3lyp_6-31g(d).log.xz 000125176.mol 000125176.PUBCHEM 000125176.mol (via Jmol)
000125181.b3lyp_6-31g(d).inp

000125181.b3lyp_6-31g(d).qchem.inp (generated)

000125181.b3lyp_6-31g(d).gjf (generated)

000125181.b3lyp_6-31g(d).firefly.inp (generated)

000125181.b3lyp_6-31g(d).smash.inp (generated)

000125181.b3lyp_6-31g(d).nwchem.inp (generated) 000125181.b3lyp_6-31g(d).log.xz 000125181.td-b3lyp_6-31g+(d).inp 000125181.td-b3lyp_6-31g+(d).log.xz

000125181.td-b3lyp_6-31+g(d).qchem.inp (generated)

000125181.td-b3lyp_6-31+g(d).gjf (generated)

000125181.td-b3lyp_6-31+g(d).firefly.inp (generated)

000125181.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000125181.mol 000125181.PUBCHEM 000125181.mol (via Jmol)
000125182.b3lyp_6-31g(d).inp

000125182.b3lyp_6-31g(d).qchem.inp (generated)

000125182.b3lyp_6-31g(d).gjf (generated)

000125182.b3lyp_6-31g(d).firefly.inp (generated)

000125182.b3lyp_6-31g(d).smash.inp (generated)

000125182.b3lyp_6-31g(d).nwchem.inp (generated) 000125182.b3lyp_6-31g(d).log.xz 000125182.td-b3lyp_6-31g+(d).inp 000125182.td-b3lyp_6-31g+(d).log.xz

000125182.td-b3lyp_6-31+g(d).qchem.inp (generated)

000125182.td-b3lyp_6-31+g(d).gjf (generated)

000125182.td-b3lyp_6-31+g(d).firefly.inp (generated)

000125182.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000125182.mol 000125182.PUBCHEM 000125182.mol (via Jmol)
000125198.b3lyp_6-31g(d).inp

000125198.b3lyp_6-31g(d).qchem.inp (generated)

000125198.b3lyp_6-31g(d).gjf (generated)

000125198.b3lyp_6-31g(d).firefly.inp (generated)

000125198.b3lyp_6-31g(d).smash.inp (generated)

000125198.b3lyp_6-31g(d).nwchem.inp (generated) 000125198.b3lyp_6-31g(d).log.xz 000125198.td-b3lyp_6-31g+(d).inp 000125198.td-b3lyp_6-31g+(d).log.xz

000125198.td-b3lyp_6-31+g(d).qchem.inp (generated)

000125198.td-b3lyp_6-31+g(d).gjf (generated)

000125198.td-b3lyp_6-31+g(d).firefly.inp (generated)

000125198.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000125198.mol 000125198.PUBCHEM 000125198.mol (via Jmol)
000125200.b3lyp_6-31g(d).inp

000125200.b3lyp_6-31g(d).qchem.inp (generated)

000125200.b3lyp_6-31g(d).gjf (generated)

000125200.b3lyp_6-31g(d).firefly.inp (generated)

000125200.b3lyp_6-31g(d).smash.inp (generated)

000125200.b3lyp_6-31g(d).nwchem.inp (generated) 000125200.b3lyp_6-31g(d).log.xz 000125200.td-b3lyp_6-31g+(d).inp 000125200.td-b3lyp_6-31g+(d).log.xz

000125200.td-b3lyp_6-31+g(d).qchem.inp (generated)

000125200.td-b3lyp_6-31+g(d).gjf (generated)

000125200.td-b3lyp_6-31+g(d).firefly.inp (generated)

000125200.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000125200.mol 000125200.PUBCHEM 000125200.mol (via Jmol)
000125207.b3lyp_6-31g(d).inp

000125207.b3lyp_6-31g(d).qchem.inp (generated)

000125207.b3lyp_6-31g(d).gjf (generated)

000125207.b3lyp_6-31g(d).firefly.inp (generated)

000125207.b3lyp_6-31g(d).smash.inp (generated)

000125207.b3lyp_6-31g(d).nwchem.inp (generated) 000125207.b3lyp_6-31g(d).log.xz 000125207.td-b3lyp_6-31g+(d).inp 000125207.td-b3lyp_6-31g+(d).log.xz

000125207.td-b3lyp_6-31+g(d).qchem.inp (generated)

000125207.td-b3lyp_6-31+g(d).gjf (generated)

000125207.td-b3lyp_6-31+g(d).firefly.inp (generated)

000125207.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000125207.mol 000125207.PUBCHEM 000125207.mol (via Jmol)
000125208.b3lyp_6-31g(d).inp

000125208.b3lyp_6-31g(d).qchem.inp (generated)

000125208.b3lyp_6-31g(d).gjf (generated)

000125208.b3lyp_6-31g(d).firefly.inp (generated)

000125208.b3lyp_6-31g(d).smash.inp (generated)

000125208.b3lyp_6-31g(d).nwchem.inp (generated) 000125208.b3lyp_6-31g(d).log.xz 000125208.td-b3lyp_6-31g+(d).inp 000125208.td-b3lyp_6-31g+(d).log.xz

000125208.td-b3lyp_6-31+g(d).qchem.inp (generated)

000125208.td-b3lyp_6-31+g(d).gjf (generated)

000125208.td-b3lyp_6-31+g(d).firefly.inp (generated)

000125208.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000125208.mol 000125208.PUBCHEM 000125208.mol (via Jmol)
000125216.b3lyp_6-31g(d).inp

000125216.b3lyp_6-31g(d).qchem.inp (generated)

000125216.b3lyp_6-31g(d).gjf (generated)

000125216.b3lyp_6-31g(d).firefly.inp (generated)

000125216.b3lyp_6-31g(d).smash.inp (generated)

000125216.b3lyp_6-31g(d).nwchem.inp (generated) 000125216.b3lyp_6-31g(d).log.xz 000125216.td-b3lyp_6-31g+(d).inp 000125216.td-b3lyp_6-31g+(d).log.xz

000125216.td-b3lyp_6-31+g(d).qchem.inp (generated)

000125216.td-b3lyp_6-31+g(d).gjf (generated)

000125216.td-b3lyp_6-31+g(d).firefly.inp (generated)

000125216.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000125216.mol 000125216.PUBCHEM 000125216.mol (via Jmol)
000125221.b3lyp_6-31g(d).inp

000125221.b3lyp_6-31g(d).qchem.inp (generated)

000125221.b3lyp_6-31g(d).gjf (generated)

000125221.b3lyp_6-31g(d).firefly.inp (generated)

000125221.b3lyp_6-31g(d).smash.inp (generated)

000125221.b3lyp_6-31g(d).nwchem.inp (generated) 000125221.b3lyp_6-31g(d).log.xz 000125221.td-b3lyp_6-31g+(d).inp 000125221.td-b3lyp_6-31g+(d).log.xz

000125221.td-b3lyp_6-31+g(d).qchem.inp (generated)

000125221.td-b3lyp_6-31+g(d).gjf (generated)

000125221.td-b3lyp_6-31+g(d).firefly.inp (generated)

000125221.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000125221.mol 000125221.PUBCHEM 000125221.mol (via Jmol)
000125239.b3lyp_6-31g(d).inp

000125239.b3lyp_6-31g(d).qchem.inp (generated)

000125239.b3lyp_6-31g(d).gjf (generated)

000125239.b3lyp_6-31g(d).firefly.inp (generated)

000125239.b3lyp_6-31g(d).smash.inp (generated)

000125239.b3lyp_6-31g(d).nwchem.inp (generated) 000125239.b3lyp_6-31g(d).log.xz 000125239.td-b3lyp_6-31g+(d).inp 000125239.td-b3lyp_6-31g+(d).log.xz

000125239.td-b3lyp_6-31+g(d).qchem.inp (generated)

000125239.td-b3lyp_6-31+g(d).gjf (generated)

000125239.td-b3lyp_6-31+g(d).firefly.inp (generated)

000125239.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000125239.mol 000125239.PUBCHEM 000125239.mol (via Jmol)
000125279.b3lyp_6-31g(d).inp

000125279.b3lyp_6-31g(d).qchem.inp (generated)

000125279.b3lyp_6-31g(d).gjf (generated)

000125279.b3lyp_6-31g(d).firefly.inp (generated)

000125279.b3lyp_6-31g(d).smash.inp (generated)

000125279.b3lyp_6-31g(d).nwchem.inp (generated) 000125279.b3lyp_6-31g(d).log.xz 000125279.mol 000125279.PUBCHEM 000125279.mol (via Jmol)
000125280.b3lyp_6-31g(d).inp

000125280.b3lyp_6-31g(d).qchem.inp (generated)

000125280.b3lyp_6-31g(d).gjf (generated)

000125280.b3lyp_6-31g(d).firefly.inp (generated)

000125280.b3lyp_6-31g(d).smash.inp (generated)

000125280.b3lyp_6-31g(d).nwchem.inp (generated) 000125280.b3lyp_6-31g(d).log.xz 000125280.td-b3lyp_6-31g+(d).inp 000125280.td-b3lyp_6-31g+(d).log.xz

000125280.td-b3lyp_6-31+g(d).qchem.inp (generated)

000125280.td-b3lyp_6-31+g(d).gjf (generated)

000125280.td-b3lyp_6-31+g(d).firefly.inp (generated)

000125280.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000125280.mol 000125280.PUBCHEM 000125280.mol (via Jmol)
000125297.b3lyp_6-31g(d).inp

000125297.b3lyp_6-31g(d).qchem.inp (generated)

000125297.b3lyp_6-31g(d).gjf (generated)

000125297.b3lyp_6-31g(d).firefly.inp (generated)

000125297.b3lyp_6-31g(d).smash.inp (generated)

000125297.b3lyp_6-31g(d).nwchem.inp (generated) 000125297.b3lyp_6-31g(d).log.xz 000125297.td-b3lyp_6-31g+(d).inp 000125297.td-b3lyp_6-31g+(d).log.xz

000125297.td-b3lyp_6-31+g(d).qchem.inp (generated)

000125297.td-b3lyp_6-31+g(d).gjf (generated)

000125297.td-b3lyp_6-31+g(d).firefly.inp (generated)

000125297.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000125297.mol 000125297.PUBCHEM 000125297.mol (via Jmol)
000125323.b3lyp_6-31g(d).inp

000125323.b3lyp_6-31g(d).qchem.inp (generated)

000125323.b3lyp_6-31g(d).gjf (generated)

000125323.b3lyp_6-31g(d).firefly.inp (generated)

000125323.b3lyp_6-31g(d).smash.inp (generated)

000125323.b3lyp_6-31g(d).nwchem.inp (generated) 000125323.b3lyp_6-31g(d).log.xz 000125323.td-b3lyp_6-31g+(d).inp 000125323.td-b3lyp_6-31g+(d).log.xz

000125323.td-b3lyp_6-31+g(d).qchem.inp (generated)

000125323.td-b3lyp_6-31+g(d).gjf (generated)

000125323.td-b3lyp_6-31+g(d).firefly.inp (generated)

000125323.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000125323.mol 000125323.PUBCHEM 000125323.mol (via Jmol)
000125327.b3lyp_6-31g(d).inp

000125327.b3lyp_6-31g(d).qchem.inp (generated)

000125327.b3lyp_6-31g(d).gjf (generated)

000125327.b3lyp_6-31g(d).firefly.inp (generated)

000125327.b3lyp_6-31g(d).smash.inp (generated)

000125327.b3lyp_6-31g(d).nwchem.inp (generated) 000125327.b3lyp_6-31g(d).log.xz 000125327.td-b3lyp_6-31g+(d).inp 000125327.td-b3lyp_6-31g+(d).log.xz

000125327.td-b3lyp_6-31+g(d).qchem.inp (generated)

000125327.td-b3lyp_6-31+g(d).gjf (generated)

000125327.td-b3lyp_6-31+g(d).firefly.inp (generated)

000125327.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000125327.mol 000125327.PUBCHEM 000125327.mol (via Jmol)
000125337.b3lyp_6-31g(d).inp

000125337.b3lyp_6-31g(d).qchem.inp (generated)

000125337.b3lyp_6-31g(d).gjf (generated)

000125337.b3lyp_6-31g(d).firefly.inp (generated)

000125337.b3lyp_6-31g(d).smash.inp (generated)

000125337.b3lyp_6-31g(d).nwchem.inp (generated) 000125337.b3lyp_6-31g(d).log.xz 000125337.td-b3lyp_6-31g+(d).inp 000125337.td-b3lyp_6-31g+(d).log.xz

000125337.td-b3lyp_6-31+g(d).qchem.inp (generated)

000125337.td-b3lyp_6-31+g(d).gjf (generated)

000125337.td-b3lyp_6-31+g(d).firefly.inp (generated)

000125337.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000125337.mol 000125337.PUBCHEM 000125337.mol (via Jmol)
000125340.b3lyp_6-31g(d).inp

000125340.b3lyp_6-31g(d).qchem.inp (generated)

000125340.b3lyp_6-31g(d).gjf (generated)

000125340.b3lyp_6-31g(d).firefly.inp (generated)

000125340.b3lyp_6-31g(d).smash.inp (generated)

000125340.b3lyp_6-31g(d).nwchem.inp (generated) 000125340.b3lyp_6-31g(d).log.xz 000125340.td-b3lyp_6-31g+(d).inp 000125340.td-b3lyp_6-31g+(d).log.xz

000125340.td-b3lyp_6-31+g(d).qchem.inp (generated)

000125340.td-b3lyp_6-31+g(d).gjf (generated)

000125340.td-b3lyp_6-31+g(d).firefly.inp (generated)

000125340.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000125340.mol 000125340.PUBCHEM 000125340.mol (via Jmol)
000125355.b3lyp_6-31g(d).inp

000125355.b3lyp_6-31g(d).qchem.inp (generated)

000125355.b3lyp_6-31g(d).gjf (generated)

000125355.b3lyp_6-31g(d).firefly.inp (generated)

000125355.b3lyp_6-31g(d).smash.inp (generated)

000125355.b3lyp_6-31g(d).nwchem.inp (generated) 000125355.b3lyp_6-31g(d).log.xz 000125355.mol 000125355.PUBCHEM 000125355.mol (via Jmol)
000125361.b3lyp_6-31g(d).inp

000125361.b3lyp_6-31g(d).qchem.inp (generated)

000125361.b3lyp_6-31g(d).gjf (generated)

000125361.b3lyp_6-31g(d).firefly.inp (generated)

000125361.b3lyp_6-31g(d).smash.inp (generated)

000125361.b3lyp_6-31g(d).nwchem.inp (generated) 000125361.b3lyp_6-31g(d).log.xz 000125361.td-b3lyp_6-31g+(d).inp 000125361.td-b3lyp_6-31g+(d).log.xz

000125361.td-b3lyp_6-31+g(d).qchem.inp (generated)

000125361.td-b3lyp_6-31+g(d).gjf (generated)

000125361.td-b3lyp_6-31+g(d).firefly.inp (generated)

000125361.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000125361.mol 000125361.PUBCHEM 000125361.mol (via Jmol)
000125362.b3lyp_6-31g(d).inp

000125362.b3lyp_6-31g(d).qchem.inp (generated)

000125362.b3lyp_6-31g(d).gjf (generated)

000125362.b3lyp_6-31g(d).firefly.inp (generated)

000125362.b3lyp_6-31g(d).smash.inp (generated)

000125362.b3lyp_6-31g(d).nwchem.inp (generated) 000125362.b3lyp_6-31g(d).log.xz 000125362.mol 000125362.PUBCHEM 000125362.mol (via Jmol)
000125371.b3lyp_6-31g(d).inp

000125371.b3lyp_6-31g(d).qchem.inp (generated)

000125371.b3lyp_6-31g(d).gjf (generated)

000125371.b3lyp_6-31g(d).firefly.inp (generated)

000125371.b3lyp_6-31g(d).smash.inp (generated)

000125371.b3lyp_6-31g(d).nwchem.inp (generated) 000125371.b3lyp_6-31g(d).log.xz 000125371.td-b3lyp_6-31g+(d).inp 000125371.td-b3lyp_6-31g+(d).log.xz

000125371.td-b3lyp_6-31+g(d).qchem.inp (generated)

000125371.td-b3lyp_6-31+g(d).gjf (generated)

000125371.td-b3lyp_6-31+g(d).firefly.inp (generated)

000125371.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000125371.mol 000125371.PUBCHEM 000125371.mol (via Jmol)
000125379.b3lyp_6-31g(d).inp

000125379.b3lyp_6-31g(d).qchem.inp (generated)

000125379.b3lyp_6-31g(d).gjf (generated)

000125379.b3lyp_6-31g(d).firefly.inp (generated)

000125379.b3lyp_6-31g(d).smash.inp (generated)

000125379.b3lyp_6-31g(d).nwchem.inp (generated) 000125379.b3lyp_6-31g(d).log.xz 000125379.td-b3lyp_6-31g+(d).inp 000125379.td-b3lyp_6-31g+(d).log.xz

000125379.td-b3lyp_6-31+g(d).qchem.inp (generated)

000125379.td-b3lyp_6-31+g(d).gjf (generated)

000125379.td-b3lyp_6-31+g(d).firefly.inp (generated)

000125379.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000125379.mol 000125379.PUBCHEM 000125379.mol (via Jmol)
000125391.b3lyp_6-31g(d).inp

000125391.b3lyp_6-31g(d).qchem.inp (generated)

000125391.b3lyp_6-31g(d).gjf (generated)

000125391.b3lyp_6-31g(d).firefly.inp (generated)

000125391.b3lyp_6-31g(d).smash.inp (generated)

000125391.b3lyp_6-31g(d).nwchem.inp (generated) 000125391.b3lyp_6-31g(d).log.xz 000125391.td-b3lyp_6-31g+(d).inp 000125391.td-b3lyp_6-31g+(d).log.xz

000125391.td-b3lyp_6-31+g(d).qchem.inp (generated)

000125391.td-b3lyp_6-31+g(d).gjf (generated)

000125391.td-b3lyp_6-31+g(d).firefly.inp (generated)

000125391.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000125391.mol 000125391.PUBCHEM 000125391.mol (via Jmol)
000125394.b3lyp_6-31g(d).inp

000125394.b3lyp_6-31g(d).qchem.inp (generated)

000125394.b3lyp_6-31g(d).gjf (generated)

000125394.b3lyp_6-31g(d).firefly.inp (generated)

000125394.b3lyp_6-31g(d).smash.inp (generated)

000125394.b3lyp_6-31g(d).nwchem.inp (generated) 000125394.b3lyp_6-31g(d).log.xz 000125394.mol 000125394.PUBCHEM 000125394.mol (via Jmol)
000125402.b3lyp_6-31g(d).inp

000125402.b3lyp_6-31g(d).qchem.inp (generated)

000125402.b3lyp_6-31g(d).gjf (generated)

000125402.b3lyp_6-31g(d).firefly.inp (generated)

000125402.b3lyp_6-31g(d).smash.inp (generated)

000125402.b3lyp_6-31g(d).nwchem.inp (generated) 000125402.b3lyp_6-31g(d).log.xz 000125402.td-b3lyp_6-31g+(d).inp 000125402.td-b3lyp_6-31g+(d).log.xz

000125402.td-b3lyp_6-31+g(d).qchem.inp (generated)

000125402.td-b3lyp_6-31+g(d).gjf (generated)

000125402.td-b3lyp_6-31+g(d).firefly.inp (generated)

000125402.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000125402.mol 000125402.PUBCHEM 000125402.mol (via Jmol)
000125403.b3lyp_6-31g(d).inp

000125403.b3lyp_6-31g(d).qchem.inp (generated)

000125403.b3lyp_6-31g(d).gjf (generated)

000125403.b3lyp_6-31g(d).firefly.inp (generated)

000125403.b3lyp_6-31g(d).smash.inp (generated)

000125403.b3lyp_6-31g(d).nwchem.inp (generated) 000125403.b3lyp_6-31g(d).log.xz 000125403.td-b3lyp_6-31g+(d).inp 000125403.td-b3lyp_6-31g+(d).log.xz

000125403.td-b3lyp_6-31+g(d).qchem.inp (generated)

000125403.td-b3lyp_6-31+g(d).gjf (generated)

000125403.td-b3lyp_6-31+g(d).firefly.inp (generated)

000125403.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000125403.mol 000125403.PUBCHEM 000125403.mol (via Jmol)
000125409.b3lyp_6-31g(d).inp

000125409.b3lyp_6-31g(d).qchem.inp (generated)

000125409.b3lyp_6-31g(d).gjf (generated)

000125409.b3lyp_6-31g(d).firefly.inp (generated)

000125409.b3lyp_6-31g(d).smash.inp (generated)

000125409.b3lyp_6-31g(d).nwchem.inp (generated) 000125409.b3lyp_6-31g(d).log.xz 000125409.td-b3lyp_6-31g+(d).inp 000125409.td-b3lyp_6-31g+(d).log.xz

000125409.td-b3lyp_6-31+g(d).qchem.inp (generated)

000125409.td-b3lyp_6-31+g(d).gjf (generated)

000125409.td-b3lyp_6-31+g(d).firefly.inp (generated)

000125409.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000125409.mol 000125409.PUBCHEM 000125409.mol (via Jmol)
000125412.b3lyp_6-31g(d).inp

000125412.b3lyp_6-31g(d).qchem.inp (generated)

000125412.b3lyp_6-31g(d).gjf (generated)

000125412.b3lyp_6-31g(d).firefly.inp (generated)

000125412.b3lyp_6-31g(d).smash.inp (generated)

000125412.b3lyp_6-31g(d).nwchem.inp (generated) 000125412.b3lyp_6-31g(d).log.xz 000125412.td-b3lyp_6-31g+(d).inp 000125412.td-b3lyp_6-31g+(d).log.xz

000125412.td-b3lyp_6-31+g(d).qchem.inp (generated)

000125412.td-b3lyp_6-31+g(d).gjf (generated)

000125412.td-b3lyp_6-31+g(d).firefly.inp (generated)

000125412.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000125412.mol 000125412.PUBCHEM 000125412.mol (via Jmol)
000125415.b3lyp_6-31g(d).inp

000125415.b3lyp_6-31g(d).qchem.inp (generated)

000125415.b3lyp_6-31g(d).gjf (generated)

000125415.b3lyp_6-31g(d).firefly.inp (generated)

000125415.b3lyp_6-31g(d).smash.inp (generated)

000125415.b3lyp_6-31g(d).nwchem.inp (generated) 000125415.b3lyp_6-31g(d).log.xz 000125415.td-b3lyp_6-31g+(d).inp 000125415.td-b3lyp_6-31g+(d).log.xz

000125415.td-b3lyp_6-31+g(d).qchem.inp (generated)

000125415.td-b3lyp_6-31+g(d).gjf (generated)

000125415.td-b3lyp_6-31+g(d).firefly.inp (generated)

000125415.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000125415.mol 000125415.PUBCHEM 000125415.mol (via Jmol)
000125421.b3lyp_6-31g(d).inp

000125421.b3lyp_6-31g(d).qchem.inp (generated)

000125421.b3lyp_6-31g(d).gjf (generated)

000125421.b3lyp_6-31g(d).firefly.inp (generated)

000125421.b3lyp_6-31g(d).smash.inp (generated)

000125421.b3lyp_6-31g(d).nwchem.inp (generated) 000125421.b3lyp_6-31g(d).log.xz 000125421.td-b3lyp_6-31g+(d).inp 000125421.td-b3lyp_6-31g+(d).log.xz

000125421.td-b3lyp_6-31+g(d).qchem.inp (generated)

000125421.td-b3lyp_6-31+g(d).gjf (generated)

000125421.td-b3lyp_6-31+g(d).firefly.inp (generated)

000125421.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000125421.mol 000125421.PUBCHEM 000125421.mol (via Jmol)
000125424.b3lyp_6-31g(d).inp

000125424.b3lyp_6-31g(d).qchem.inp (generated)

000125424.b3lyp_6-31g(d).gjf (generated)

000125424.b3lyp_6-31g(d).firefly.inp (generated)

000125424.b3lyp_6-31g(d).smash.inp (generated)

000125424.b3lyp_6-31g(d).nwchem.inp (generated) 000125424.b3lyp_6-31g(d).log.xz 000125424.td-b3lyp_6-31g+(d).inp 000125424.td-b3lyp_6-31g+(d).log.xz

000125424.td-b3lyp_6-31+g(d).qchem.inp (generated)

000125424.td-b3lyp_6-31+g(d).gjf (generated)

000125424.td-b3lyp_6-31+g(d).firefly.inp (generated)

000125424.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000125424.mol 000125424.PUBCHEM 000125424.mol (via Jmol)
000125428.b3lyp_6-31g(d).inp

000125428.b3lyp_6-31g(d).qchem.inp (generated)

000125428.b3lyp_6-31g(d).gjf (generated)

000125428.b3lyp_6-31g(d).firefly.inp (generated)

000125428.b3lyp_6-31g(d).smash.inp (generated)

000125428.b3lyp_6-31g(d).nwchem.inp (generated) 000125428.b3lyp_6-31g(d).log.xz 000125428.td-b3lyp_6-31g+(d).inp 000125428.td-b3lyp_6-31g+(d).log.xz

000125428.td-b3lyp_6-31+g(d).qchem.inp (generated)

000125428.td-b3lyp_6-31+g(d).gjf (generated)

000125428.td-b3lyp_6-31+g(d).firefly.inp (generated)

000125428.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000125428.mol 000125428.PUBCHEM 000125428.mol (via Jmol)
000125435.b3lyp_6-31g(d).inp

000125435.b3lyp_6-31g(d).qchem.inp (generated)

000125435.b3lyp_6-31g(d).gjf (generated)

000125435.b3lyp_6-31g(d).firefly.inp (generated)

000125435.b3lyp_6-31g(d).smash.inp (generated)

000125435.b3lyp_6-31g(d).nwchem.inp (generated) 000125435.b3lyp_6-31g(d).log.xz 000125435.td-b3lyp_6-31g+(d).inp 000125435.td-b3lyp_6-31g+(d).log.xz

000125435.td-b3lyp_6-31+g(d).qchem.inp (generated)

000125435.td-b3lyp_6-31+g(d).gjf (generated)

000125435.td-b3lyp_6-31+g(d).firefly.inp (generated)

000125435.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000125435.mol 000125435.PUBCHEM 000125435.mol (via Jmol)
000125437.b3lyp_6-31g(d).inp

000125437.b3lyp_6-31g(d).qchem.inp (generated)

000125437.b3lyp_6-31g(d).gjf (generated)

000125437.b3lyp_6-31g(d).firefly.inp (generated)

000125437.b3lyp_6-31g(d).smash.inp (generated)

000125437.b3lyp_6-31g(d).nwchem.inp (generated) 000125437.b3lyp_6-31g(d).log.xz 000125437.td-b3lyp_6-31g+(d).inp 000125437.td-b3lyp_6-31g+(d).log.xz

000125437.td-b3lyp_6-31+g(d).qchem.inp (generated)

000125437.td-b3lyp_6-31+g(d).gjf (generated)

000125437.td-b3lyp_6-31+g(d).firefly.inp (generated)

000125437.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000125437.mol 000125437.PUBCHEM 000125437.mol (via Jmol)
000125440.b3lyp_6-31g(d).inp

000125440.b3lyp_6-31g(d).qchem.inp (generated)

000125440.b3lyp_6-31g(d).gjf (generated)

000125440.b3lyp_6-31g(d).firefly.inp (generated)

000125440.b3lyp_6-31g(d).smash.inp (generated)

000125440.b3lyp_6-31g(d).nwchem.inp (generated) 000125440.b3lyp_6-31g(d).log.xz 000125440.mol 000125440.PUBCHEM 000125440.mol (via Jmol)
000125447.b3lyp_6-31g(d).inp

000125447.b3lyp_6-31g(d).qchem.inp (generated)

000125447.b3lyp_6-31g(d).gjf (generated)

000125447.b3lyp_6-31g(d).firefly.inp (generated)

000125447.b3lyp_6-31g(d).smash.inp (generated)

000125447.b3lyp_6-31g(d).nwchem.inp (generated) 000125447.b3lyp_6-31g(d).log.xz 000125447.td-b3lyp_6-31g+(d).inp 000125447.td-b3lyp_6-31g+(d).log.xz

000125447.td-b3lyp_6-31+g(d).qchem.inp (generated)

000125447.td-b3lyp_6-31+g(d).gjf (generated)

000125447.td-b3lyp_6-31+g(d).firefly.inp (generated)

000125447.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000125447.mol 000125447.PUBCHEM 000125447.mol (via Jmol)
000125453.b3lyp_6-31g(d).inp

000125453.b3lyp_6-31g(d).qchem.inp (generated)

000125453.b3lyp_6-31g(d).gjf (generated)

000125453.b3lyp_6-31g(d).firefly.inp (generated)

000125453.b3lyp_6-31g(d).smash.inp (generated)

000125453.b3lyp_6-31g(d).nwchem.inp (generated) 000125453.b3lyp_6-31g(d).log.xz 000125453.td-b3lyp_6-31g+(d).inp 000125453.td-b3lyp_6-31g+(d).log.xz

000125453.td-b3lyp_6-31+g(d).qchem.inp (generated)

000125453.td-b3lyp_6-31+g(d).gjf (generated)

000125453.td-b3lyp_6-31+g(d).firefly.inp (generated)

000125453.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000125453.mol 000125453.PUBCHEM 000125453.mol (via Jmol)
000125459.b3lyp_6-31g(d).inp

000125459.b3lyp_6-31g(d).qchem.inp (generated)

000125459.b3lyp_6-31g(d).gjf (generated)

000125459.b3lyp_6-31g(d).firefly.inp (generated)

000125459.b3lyp_6-31g(d).smash.inp (generated)

000125459.b3lyp_6-31g(d).nwchem.inp (generated) 000125459.b3lyp_6-31g(d).log.xz 000125459.mol 000125459.PUBCHEM 000125459.mol (via Jmol)
000125463.b3lyp_6-31g(d).inp

000125463.b3lyp_6-31g(d).qchem.inp (generated)

000125463.b3lyp_6-31g(d).gjf (generated)

000125463.b3lyp_6-31g(d).firefly.inp (generated)

000125463.b3lyp_6-31g(d).smash.inp (generated)

000125463.b3lyp_6-31g(d).nwchem.inp (generated) 000125463.b3lyp_6-31g(d).log.xz 000125463.td-b3lyp_6-31g+(d).inp 000125463.td-b3lyp_6-31g+(d).log.xz

000125463.td-b3lyp_6-31+g(d).qchem.inp (generated)

000125463.td-b3lyp_6-31+g(d).gjf (generated)

000125463.td-b3lyp_6-31+g(d).firefly.inp (generated)

000125463.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000125463.mol 000125463.PUBCHEM 000125463.mol (via Jmol)
000125465.b3lyp_6-31g(d).inp

000125465.b3lyp_6-31g(d).qchem.inp (generated)

000125465.b3lyp_6-31g(d).gjf (generated)

000125465.b3lyp_6-31g(d).firefly.inp (generated)

000125465.b3lyp_6-31g(d).smash.inp (generated)

000125465.b3lyp_6-31g(d).nwchem.inp (generated) 000125465.b3lyp_6-31g(d).log.xz 000125465.td-b3lyp_6-31g+(d).inp 000125465.td-b3lyp_6-31g+(d).log.xz

000125465.td-b3lyp_6-31+g(d).qchem.inp (generated)

000125465.td-b3lyp_6-31+g(d).gjf (generated)

000125465.td-b3lyp_6-31+g(d).firefly.inp (generated)

000125465.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000125465.mol 000125465.PUBCHEM 000125465.mol (via Jmol)
000125467.b3lyp_6-31g(d).inp

000125467.b3lyp_6-31g(d).qchem.inp (generated)

000125467.b3lyp_6-31g(d).gjf (generated)

000125467.b3lyp_6-31g(d).firefly.inp (generated)

000125467.b3lyp_6-31g(d).smash.inp (generated)

000125467.b3lyp_6-31g(d).nwchem.inp (generated) 000125467.b3lyp_6-31g(d).log.xz 000125467.td-b3lyp_6-31g+(d).inp 000125467.td-b3lyp_6-31g+(d).log.xz

000125467.td-b3lyp_6-31+g(d).qchem.inp (generated)

000125467.td-b3lyp_6-31+g(d).gjf (generated)

000125467.td-b3lyp_6-31+g(d).firefly.inp (generated)

000125467.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000125467.mol 000125467.PUBCHEM 000125467.mol (via Jmol)
000125468.b3lyp_6-31g(d).inp

000125468.b3lyp_6-31g(d).qchem.inp (generated)

000125468.b3lyp_6-31g(d).gjf (generated)

000125468.b3lyp_6-31g(d).firefly.inp (generated)

000125468.b3lyp_6-31g(d).smash.inp (generated)

000125468.b3lyp_6-31g(d).nwchem.inp (generated) 000125468.b3lyp_6-31g(d).log.xz 000125468.td-b3lyp_6-31g+(d).inp 000125468.td-b3lyp_6-31g+(d).log.xz

000125468.td-b3lyp_6-31+g(d).qchem.inp (generated)

000125468.td-b3lyp_6-31+g(d).gjf (generated)

000125468.td-b3lyp_6-31+g(d).firefly.inp (generated)

000125468.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000125468.mol 000125468.PUBCHEM 000125468.mol (via Jmol)
000125492.b3lyp_6-31g(d).inp

000125492.b3lyp_6-31g(d).qchem.inp (generated)

000125492.b3lyp_6-31g(d).gjf (generated)

000125492.b3lyp_6-31g(d).firefly.inp (generated)

000125492.b3lyp_6-31g(d).smash.inp (generated)

000125492.b3lyp_6-31g(d).nwchem.inp (generated) 000125492.b3lyp_6-31g(d).log.xz 000125492.mol 000125492.PUBCHEM 000125492.mol (via Jmol)
000125498.b3lyp_6-31g(d).inp

000125498.b3lyp_6-31g(d).qchem.inp (generated)

000125498.b3lyp_6-31g(d).gjf (generated)

000125498.b3lyp_6-31g(d).firefly.inp (generated)

000125498.b3lyp_6-31g(d).smash.inp (generated)

000125498.b3lyp_6-31g(d).nwchem.inp (generated) 000125498.b3lyp_6-31g(d).log.xz 000125498.td-b3lyp_6-31g+(d).inp 000125498.td-b3lyp_6-31g+(d).log.xz

000125498.td-b3lyp_6-31+g(d).qchem.inp (generated)

000125498.td-b3lyp_6-31+g(d).gjf (generated)

000125498.td-b3lyp_6-31+g(d).firefly.inp (generated)

000125498.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000125498.mol 000125498.PUBCHEM 000125498.mol (via Jmol)
000125500.b3lyp_6-31g(d).inp

000125500.b3lyp_6-31g(d).qchem.inp (generated)

000125500.b3lyp_6-31g(d).gjf (generated)

000125500.b3lyp_6-31g(d).firefly.inp (generated)

000125500.b3lyp_6-31g(d).smash.inp (generated)

000125500.b3lyp_6-31g(d).nwchem.inp (generated) 000125500.b3lyp_6-31g(d).log.xz 000125500.mol 000125500.PUBCHEM 000125500.mol (via Jmol)
000125501.b3lyp_6-31g(d).inp

000125501.b3lyp_6-31g(d).qchem.inp (generated)

000125501.b3lyp_6-31g(d).gjf (generated)

000125501.b3lyp_6-31g(d).firefly.inp (generated)

000125501.b3lyp_6-31g(d).smash.inp (generated)

000125501.b3lyp_6-31g(d).nwchem.inp (generated) 000125501.b3lyp_6-31g(d).log.xz 000125501.mol 000125501.PUBCHEM 000125501.mol (via Jmol)
000125506.b3lyp_6-31g(d).inp

000125506.b3lyp_6-31g(d).qchem.inp (generated)

000125506.b3lyp_6-31g(d).gjf (generated)

000125506.b3lyp_6-31g(d).firefly.inp (generated)

000125506.b3lyp_6-31g(d).smash.inp (generated)

000125506.b3lyp_6-31g(d).nwchem.inp (generated) 000125506.b3lyp_6-31g(d).log.xz 000125506.td-b3lyp_6-31g+(d).inp 000125506.td-b3lyp_6-31g+(d).log.xz

000125506.td-b3lyp_6-31+g(d).qchem.inp (generated)

000125506.td-b3lyp_6-31+g(d).gjf (generated)

000125506.td-b3lyp_6-31+g(d).firefly.inp (generated)

000125506.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000125506.mol 000125506.PUBCHEM 000125506.mol (via Jmol)
000125510.b3lyp_6-31g(d).inp

000125510.b3lyp_6-31g(d).qchem.inp (generated)

000125510.b3lyp_6-31g(d).gjf (generated)

000125510.b3lyp_6-31g(d).firefly.inp (generated)

000125510.b3lyp_6-31g(d).smash.inp (generated)

000125510.b3lyp_6-31g(d).nwchem.inp (generated) 000125510.b3lyp_6-31g(d).log.xz 000125510.td-b3lyp_6-31g+(d).inp 000125510.td-b3lyp_6-31g+(d).log.xz

000125510.td-b3lyp_6-31+g(d).qchem.inp (generated)

000125510.td-b3lyp_6-31+g(d).gjf (generated)

000125510.td-b3lyp_6-31+g(d).firefly.inp (generated)

000125510.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000125510.mol 000125510.PUBCHEM 000125510.mol (via Jmol)
000125514.b3lyp_6-31g(d).inp

000125514.b3lyp_6-31g(d).qchem.inp (generated)

000125514.b3lyp_6-31g(d).gjf (generated)

000125514.b3lyp_6-31g(d).firefly.inp (generated)

000125514.b3lyp_6-31g(d).smash.inp (generated)

000125514.b3lyp_6-31g(d).nwchem.inp (generated) 000125514.b3lyp_6-31g(d).log.xz 000125514.td-b3lyp_6-31g+(d).inp 000125514.td-b3lyp_6-31g+(d).log.xz

000125514.td-b3lyp_6-31+g(d).qchem.inp (generated)

000125514.td-b3lyp_6-31+g(d).gjf (generated)

000125514.td-b3lyp_6-31+g(d).firefly.inp (generated)

000125514.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000125514.mol 000125514.PUBCHEM 000125514.mol (via Jmol)
000125518.b3lyp_6-31g(d).inp

000125518.b3lyp_6-31g(d).qchem.inp (generated)

000125518.b3lyp_6-31g(d).gjf (generated)

000125518.b3lyp_6-31g(d).firefly.inp (generated)

000125518.b3lyp_6-31g(d).smash.inp (generated)

000125518.b3lyp_6-31g(d).nwchem.inp (generated) 000125518.b3lyp_6-31g(d).log.xz 000125518.td-b3lyp_6-31g+(d).inp 000125518.td-b3lyp_6-31g+(d).log.xz

000125518.td-b3lyp_6-31+g(d).qchem.inp (generated)

000125518.td-b3lyp_6-31+g(d).gjf (generated)

000125518.td-b3lyp_6-31+g(d).firefly.inp (generated)

000125518.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000125518.mol 000125518.PUBCHEM 000125518.mol (via Jmol)
000125520.b3lyp_6-31g(d).inp

000125520.b3lyp_6-31g(d).qchem.inp (generated)

000125520.b3lyp_6-31g(d).gjf (generated)

000125520.b3lyp_6-31g(d).firefly.inp (generated)

000125520.b3lyp_6-31g(d).smash.inp (generated)

000125520.b3lyp_6-31g(d).nwchem.inp (generated) 000125520.b3lyp_6-31g(d).log.xz 000125520.td-b3lyp_6-31g+(d).inp 000125520.td-b3lyp_6-31g+(d).log.xz

000125520.td-b3lyp_6-31+g(d).qchem.inp (generated)

000125520.td-b3lyp_6-31+g(d).gjf (generated)

000125520.td-b3lyp_6-31+g(d).firefly.inp (generated)

000125520.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000125520.mol 000125520.PUBCHEM 000125520.mol (via Jmol)
000125522.b3lyp_6-31g(d).inp

000125522.b3lyp_6-31g(d).qchem.inp (generated)

000125522.b3lyp_6-31g(d).gjf (generated)

000125522.b3lyp_6-31g(d).firefly.inp (generated)

000125522.b3lyp_6-31g(d).smash.inp (generated)

000125522.b3lyp_6-31g(d).nwchem.inp (generated) 000125522.b3lyp_6-31g(d).log.xz 000125522.td-b3lyp_6-31g+(d).inp 000125522.td-b3lyp_6-31g+(d).log.xz

000125522.td-b3lyp_6-31+g(d).qchem.inp (generated)

000125522.td-b3lyp_6-31+g(d).gjf (generated)

000125522.td-b3lyp_6-31+g(d).firefly.inp (generated)

000125522.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000125522.mol 000125522.PUBCHEM 000125522.mol (via Jmol)
000125527.b3lyp_6-31g(d).inp

000125527.b3lyp_6-31g(d).qchem.inp (generated)

000125527.b3lyp_6-31g(d).gjf (generated)

000125527.b3lyp_6-31g(d).firefly.inp (generated)

000125527.b3lyp_6-31g(d).smash.inp (generated)

000125527.b3lyp_6-31g(d).nwchem.inp (generated) 000125527.b3lyp_6-31g(d).log.xz 000125527.td-b3lyp_6-31g+(d).inp 000125527.td-b3lyp_6-31g+(d).log.xz

000125527.td-b3lyp_6-31+g(d).qchem.inp (generated)

000125527.td-b3lyp_6-31+g(d).gjf (generated)

000125527.td-b3lyp_6-31+g(d).firefly.inp (generated)

000125527.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000125527.mol 000125527.PUBCHEM 000125527.mol (via Jmol)
000125529.b3lyp_6-31g(d).inp

000125529.b3lyp_6-31g(d).qchem.inp (generated)

000125529.b3lyp_6-31g(d).gjf (generated)

000125529.b3lyp_6-31g(d).firefly.inp (generated)

000125529.b3lyp_6-31g(d).smash.inp (generated)

000125529.b3lyp_6-31g(d).nwchem.inp (generated) 000125529.b3lyp_6-31g(d).log.xz 000125529.mol 000125529.PUBCHEM 000125529.mol (via Jmol)
000125533.b3lyp_6-31g(d).inp

000125533.b3lyp_6-31g(d).qchem.inp (generated)

000125533.b3lyp_6-31g(d).gjf (generated)

000125533.b3lyp_6-31g(d).firefly.inp (generated)

000125533.b3lyp_6-31g(d).smash.inp (generated)

000125533.b3lyp_6-31g(d).nwchem.inp (generated) 000125533.b3lyp_6-31g(d).log.xz 000125533.td-b3lyp_6-31g+(d).inp 000125533.td-b3lyp_6-31g+(d).log.xz

000125533.td-b3lyp_6-31+g(d).qchem.inp (generated)

000125533.td-b3lyp_6-31+g(d).gjf (generated)

000125533.td-b3lyp_6-31+g(d).firefly.inp (generated)

000125533.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000125533.mol 000125533.PUBCHEM 000125533.mol (via Jmol)
000125537.b3lyp_6-31g(d).inp

000125537.b3lyp_6-31g(d).qchem.inp (generated)

000125537.b3lyp_6-31g(d).gjf (generated)

000125537.b3lyp_6-31g(d).firefly.inp (generated)

000125537.b3lyp_6-31g(d).smash.inp (generated)

000125537.b3lyp_6-31g(d).nwchem.inp (generated) 000125537.b3lyp_6-31g(d).log.xz 000125537.td-b3lyp_6-31g+(d).inp 000125537.td-b3lyp_6-31g+(d).log.xz

000125537.td-b3lyp_6-31+g(d).qchem.inp (generated)

000125537.td-b3lyp_6-31+g(d).gjf (generated)

000125537.td-b3lyp_6-31+g(d).firefly.inp (generated)

000125537.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000125537.mol 000125537.PUBCHEM 000125537.mol (via Jmol)
000125541.b3lyp_6-31g(d).inp

000125541.b3lyp_6-31g(d).qchem.inp (generated)

000125541.b3lyp_6-31g(d).gjf (generated)

000125541.b3lyp_6-31g(d).firefly.inp (generated)

000125541.b3lyp_6-31g(d).smash.inp (generated)

000125541.b3lyp_6-31g(d).nwchem.inp (generated) 000125541.b3lyp_6-31g(d).log.xz 000125541.td-b3lyp_6-31g+(d).inp 000125541.td-b3lyp_6-31g+(d).log.xz

000125541.td-b3lyp_6-31+g(d).qchem.inp (generated)

000125541.td-b3lyp_6-31+g(d).gjf (generated)

000125541.td-b3lyp_6-31+g(d).firefly.inp (generated)

000125541.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000125541.mol 000125541.PUBCHEM 000125541.mol (via Jmol)
000125542.b3lyp_6-31g(d).inp

000125542.b3lyp_6-31g(d).qchem.inp (generated)

000125542.b3lyp_6-31g(d).gjf (generated)

000125542.b3lyp_6-31g(d).firefly.inp (generated)

000125542.b3lyp_6-31g(d).smash.inp (generated)

000125542.b3lyp_6-31g(d).nwchem.inp (generated) 000125542.b3lyp_6-31g(d).log.xz 000125542.td-b3lyp_6-31g+(d).inp 000125542.td-b3lyp_6-31g+(d).log.xz

000125542.td-b3lyp_6-31+g(d).qchem.inp (generated)

000125542.td-b3lyp_6-31+g(d).gjf (generated)

000125542.td-b3lyp_6-31+g(d).firefly.inp (generated)

000125542.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000125542.mol 000125542.PUBCHEM 000125542.mol (via Jmol)
000125556.b3lyp_6-31g(d).inp

000125556.b3lyp_6-31g(d).qchem.inp (generated)

000125556.b3lyp_6-31g(d).gjf (generated)

000125556.b3lyp_6-31g(d).firefly.inp (generated)

000125556.b3lyp_6-31g(d).smash.inp (generated)

000125556.b3lyp_6-31g(d).nwchem.inp (generated) 000125556.b3lyp_6-31g(d).log.xz 000125556.td-b3lyp_6-31g+(d).inp 000125556.td-b3lyp_6-31g+(d).log.xz

000125556.td-b3lyp_6-31+g(d).qchem.inp (generated)

000125556.td-b3lyp_6-31+g(d).gjf (generated)

000125556.td-b3lyp_6-31+g(d).firefly.inp (generated)

000125556.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000125556.mol 000125556.PUBCHEM 000125556.mol (via Jmol)
000125558.b3lyp_6-31g(d).inp

000125558.b3lyp_6-31g(d).qchem.inp (generated)

000125558.b3lyp_6-31g(d).gjf (generated)

000125558.b3lyp_6-31g(d).firefly.inp (generated)

000125558.b3lyp_6-31g(d).smash.inp (generated)

000125558.b3lyp_6-31g(d).nwchem.inp (generated) 000125558.b3lyp_6-31g(d).log.xz 000125558.td-b3lyp_6-31g+(d).inp 000125558.td-b3lyp_6-31g+(d).log.xz

000125558.td-b3lyp_6-31+g(d).qchem.inp (generated)

000125558.td-b3lyp_6-31+g(d).gjf (generated)

000125558.td-b3lyp_6-31+g(d).firefly.inp (generated)

000125558.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000125558.mol 000125558.PUBCHEM 000125558.mol (via Jmol)
000125559.b3lyp_6-31g(d).inp

000125559.b3lyp_6-31g(d).qchem.inp (generated)

000125559.b3lyp_6-31g(d).gjf (generated)

000125559.b3lyp_6-31g(d).firefly.inp (generated)

000125559.b3lyp_6-31g(d).smash.inp (generated)

000125559.b3lyp_6-31g(d).nwchem.inp (generated) 000125559.b3lyp_6-31g(d).log.xz 000125559.td-b3lyp_6-31g+(d).inp 000125559.td-b3lyp_6-31g+(d).log.xz

000125559.td-b3lyp_6-31+g(d).qchem.inp (generated)

000125559.td-b3lyp_6-31+g(d).gjf (generated)

000125559.td-b3lyp_6-31+g(d).firefly.inp (generated)

000125559.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000125559.mol 000125559.PUBCHEM 000125559.mol (via Jmol)
000125561.b3lyp_6-31g(d).inp

000125561.b3lyp_6-31g(d).qchem.inp (generated)

000125561.b3lyp_6-31g(d).gjf (generated)

000125561.b3lyp_6-31g(d).firefly.inp (generated)

000125561.b3lyp_6-31g(d).smash.inp (generated)

000125561.b3lyp_6-31g(d).nwchem.inp (generated) 000125561.b3lyp_6-31g(d).log.xz 000125561.td-b3lyp_6-31g+(d).inp 000125561.td-b3lyp_6-31g+(d).log.xz

000125561.td-b3lyp_6-31+g(d).qchem.inp (generated)

000125561.td-b3lyp_6-31+g(d).gjf (generated)

000125561.td-b3lyp_6-31+g(d).firefly.inp (generated)

000125561.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000125561.mol 000125561.PUBCHEM 000125561.mol (via Jmol)
000125570.b3lyp_6-31g(d).inp

000125570.b3lyp_6-31g(d).qchem.inp (generated)

000125570.b3lyp_6-31g(d).gjf (generated)

000125570.b3lyp_6-31g(d).firefly.inp (generated)

000125570.b3lyp_6-31g(d).smash.inp (generated)

000125570.b3lyp_6-31g(d).nwchem.inp (generated) 000125570.b3lyp_6-31g(d).log.xz 000125570.td-b3lyp_6-31g+(d).inp 000125570.td-b3lyp_6-31g+(d).log.xz

000125570.td-b3lyp_6-31+g(d).qchem.inp (generated)

000125570.td-b3lyp_6-31+g(d).gjf (generated)

000125570.td-b3lyp_6-31+g(d).firefly.inp (generated)

000125570.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000125570.mol 000125570.PUBCHEM 000125570.mol (via Jmol)
000125578.b3lyp_6-31g(d).inp

000125578.b3lyp_6-31g(d).qchem.inp (generated)

000125578.b3lyp_6-31g(d).gjf (generated)

000125578.b3lyp_6-31g(d).firefly.inp (generated)

000125578.b3lyp_6-31g(d).smash.inp (generated)

000125578.b3lyp_6-31g(d).nwchem.inp (generated) 000125578.b3lyp_6-31g(d).log.xz 000125578.td-b3lyp_6-31g+(d).inp 000125578.td-b3lyp_6-31g+(d).log.xz

000125578.td-b3lyp_6-31+g(d).qchem.inp (generated)

000125578.td-b3lyp_6-31+g(d).gjf (generated)

000125578.td-b3lyp_6-31+g(d).firefly.inp (generated)

000125578.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000125578.mol 000125578.PUBCHEM 000125578.mol (via Jmol)
000125580.b3lyp_6-31g(d).inp

000125580.b3lyp_6-31g(d).qchem.inp (generated)

000125580.b3lyp_6-31g(d).gjf (generated)

000125580.b3lyp_6-31g(d).firefly.inp (generated)

000125580.b3lyp_6-31g(d).smash.inp (generated)

000125580.b3lyp_6-31g(d).nwchem.inp (generated) 000125580.b3lyp_6-31g(d).log.xz 000125580.td-b3lyp_6-31g+(d).inp 000125580.td-b3lyp_6-31g+(d).log.xz

000125580.td-b3lyp_6-31+g(d).qchem.inp (generated)

000125580.td-b3lyp_6-31+g(d).gjf (generated)

000125580.td-b3lyp_6-31+g(d).firefly.inp (generated)

000125580.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000125580.mol 000125580.PUBCHEM 000125580.mol (via Jmol)
000125587.b3lyp_6-31g(d).inp

000125587.b3lyp_6-31g(d).qchem.inp (generated)

000125587.b3lyp_6-31g(d).gjf (generated)

000125587.b3lyp_6-31g(d).firefly.inp (generated)

000125587.b3lyp_6-31g(d).smash.inp (generated)

000125587.b3lyp_6-31g(d).nwchem.inp (generated) 000125587.b3lyp_6-31g(d).log.xz 000125587.td-b3lyp_6-31g+(d).inp 000125587.td-b3lyp_6-31g+(d).log.xz

000125587.td-b3lyp_6-31+g(d).qchem.inp (generated)

000125587.td-b3lyp_6-31+g(d).gjf (generated)

000125587.td-b3lyp_6-31+g(d).firefly.inp (generated)

000125587.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000125587.mol 000125587.PUBCHEM 000125587.mol (via Jmol)
000125603.b3lyp_6-31g(d).inp

000125603.b3lyp_6-31g(d).qchem.inp (generated)

000125603.b3lyp_6-31g(d).gjf (generated)

000125603.b3lyp_6-31g(d).firefly.inp (generated)

000125603.b3lyp_6-31g(d).smash.inp (generated)

000125603.b3lyp_6-31g(d).nwchem.inp (generated) 000125603.b3lyp_6-31g(d).log.xz 000125603.td-b3lyp_6-31g+(d).inp 000125603.td-b3lyp_6-31g+(d).log.xz

000125603.td-b3lyp_6-31+g(d).qchem.inp (generated)

000125603.td-b3lyp_6-31+g(d).gjf (generated)

000125603.td-b3lyp_6-31+g(d).firefly.inp (generated)

000125603.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000125603.mol 000125603.PUBCHEM 000125603.mol (via Jmol)
000125605.b3lyp_6-31g(d).inp

000125605.b3lyp_6-31g(d).qchem.inp (generated)

000125605.b3lyp_6-31g(d).gjf (generated)

000125605.b3lyp_6-31g(d).firefly.inp (generated)

000125605.b3lyp_6-31g(d).smash.inp (generated)

000125605.b3lyp_6-31g(d).nwchem.inp (generated) 000125605.b3lyp_6-31g(d).log.xz 000125605.td-b3lyp_6-31g+(d).inp 000125605.td-b3lyp_6-31g+(d).log.xz

000125605.td-b3lyp_6-31+g(d).qchem.inp (generated)

000125605.td-b3lyp_6-31+g(d).gjf (generated)

000125605.td-b3lyp_6-31+g(d).firefly.inp (generated)

000125605.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000125605.mol 000125605.PUBCHEM 000125605.mol (via Jmol)
000125608.b3lyp_6-31g(d).inp

000125608.b3lyp_6-31g(d).qchem.inp (generated)

000125608.b3lyp_6-31g(d).gjf (generated)

000125608.b3lyp_6-31g(d).firefly.inp (generated)

000125608.b3lyp_6-31g(d).smash.inp (generated)

000125608.b3lyp_6-31g(d).nwchem.inp (generated) 000125608.b3lyp_6-31g(d).log.xz 000125608.td-b3lyp_6-31g+(d).inp 000125608.td-b3lyp_6-31g+(d).log.xz

000125608.td-b3lyp_6-31+g(d).qchem.inp (generated)

000125608.td-b3lyp_6-31+g(d).gjf (generated)

000125608.td-b3lyp_6-31+g(d).firefly.inp (generated)

000125608.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000125608.mol 000125608.PUBCHEM 000125608.mol (via Jmol)
000125617.b3lyp_6-31g(d).inp

000125617.b3lyp_6-31g(d).qchem.inp (generated)

000125617.b3lyp_6-31g(d).gjf (generated)

000125617.b3lyp_6-31g(d).firefly.inp (generated)

000125617.b3lyp_6-31g(d).smash.inp (generated)

000125617.b3lyp_6-31g(d).nwchem.inp (generated) 000125617.b3lyp_6-31g(d).log.xz 000125617.td-b3lyp_6-31g+(d).inp 000125617.td-b3lyp_6-31g+(d).log.xz

000125617.td-b3lyp_6-31+g(d).qchem.inp (generated)

000125617.td-b3lyp_6-31+g(d).gjf (generated)

000125617.td-b3lyp_6-31+g(d).firefly.inp (generated)

000125617.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000125617.mol 000125617.PUBCHEM 000125617.mol (via Jmol)
000125619.b3lyp_6-31g(d).inp

000125619.b3lyp_6-31g(d).qchem.inp (generated)

000125619.b3lyp_6-31g(d).gjf (generated)

000125619.b3lyp_6-31g(d).firefly.inp (generated)

000125619.b3lyp_6-31g(d).smash.inp (generated)

000125619.b3lyp_6-31g(d).nwchem.inp (generated) 000125619.b3lyp_6-31g(d).log.xz 000125619.td-b3lyp_6-31g+(d).inp 000125619.td-b3lyp_6-31g+(d).log.xz

000125619.td-b3lyp_6-31+g(d).qchem.inp (generated)

000125619.td-b3lyp_6-31+g(d).gjf (generated)

000125619.td-b3lyp_6-31+g(d).firefly.inp (generated)

000125619.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000125619.mol 000125619.PUBCHEM 000125619.mol (via Jmol)
000125626.b3lyp_6-31g(d).inp

000125626.b3lyp_6-31g(d).qchem.inp (generated)

000125626.b3lyp_6-31g(d).gjf (generated)

000125626.b3lyp_6-31g(d).firefly.inp (generated)

000125626.b3lyp_6-31g(d).smash.inp (generated)

000125626.b3lyp_6-31g(d).nwchem.inp (generated) 000125626.b3lyp_6-31g(d).log.xz 000125626.td-b3lyp_6-31g+(d).inp 000125626.td-b3lyp_6-31g+(d).log.xz

000125626.td-b3lyp_6-31+g(d).qchem.inp (generated)

000125626.td-b3lyp_6-31+g(d).gjf (generated)

000125626.td-b3lyp_6-31+g(d).firefly.inp (generated)

000125626.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000125626.mol 000125626.PUBCHEM 000125626.mol (via Jmol)
000125651.b3lyp_6-31g(d).inp

000125651.b3lyp_6-31g(d).qchem.inp (generated)

000125651.b3lyp_6-31g(d).gjf (generated)

000125651.b3lyp_6-31g(d).firefly.inp (generated)

000125651.b3lyp_6-31g(d).smash.inp (generated)

000125651.b3lyp_6-31g(d).nwchem.inp (generated) 000125651.b3lyp_6-31g(d).log.xz 000125651.td-b3lyp_6-31g+(d).inp 000125651.td-b3lyp_6-31g+(d).log.xz

000125651.td-b3lyp_6-31+g(d).qchem.inp (generated)

000125651.td-b3lyp_6-31+g(d).gjf (generated)

000125651.td-b3lyp_6-31+g(d).firefly.inp (generated)

000125651.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000125651.mol 000125651.PUBCHEM 000125651.mol (via Jmol)
000125657.b3lyp_6-31g(d).inp

000125657.b3lyp_6-31g(d).qchem.inp (generated)

000125657.b3lyp_6-31g(d).gjf (generated)

000125657.b3lyp_6-31g(d).firefly.inp (generated)

000125657.b3lyp_6-31g(d).smash.inp (generated)

000125657.b3lyp_6-31g(d).nwchem.inp (generated) 000125657.b3lyp_6-31g(d).log.xz 000125657.mol 000125657.PUBCHEM 000125657.mol (via Jmol)
000125661.b3lyp_6-31g(d).inp

000125661.b3lyp_6-31g(d).qchem.inp (generated)

000125661.b3lyp_6-31g(d).gjf (generated)

000125661.b3lyp_6-31g(d).firefly.inp (generated)

000125661.b3lyp_6-31g(d).smash.inp (generated)

000125661.b3lyp_6-31g(d).nwchem.inp (generated) 000125661.b3lyp_6-31g(d).log.xz 000125661.td-b3lyp_6-31g+(d).inp 000125661.td-b3lyp_6-31g+(d).log.xz

000125661.td-b3lyp_6-31+g(d).qchem.inp (generated)

000125661.td-b3lyp_6-31+g(d).gjf (generated)

000125661.td-b3lyp_6-31+g(d).firefly.inp (generated)

000125661.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000125661.mol 000125661.PUBCHEM 000125661.mol (via Jmol)
000125667.b3lyp_6-31g(d).inp

000125667.b3lyp_6-31g(d).qchem.inp (generated)

000125667.b3lyp_6-31g(d).gjf (generated)

000125667.b3lyp_6-31g(d).firefly.inp (generated)

000125667.b3lyp_6-31g(d).smash.inp (generated)

000125667.b3lyp_6-31g(d).nwchem.inp (generated) 000125667.b3lyp_6-31g(d).log.xz 000125667.td-b3lyp_6-31g+(d).inp 000125667.td-b3lyp_6-31g+(d).log.xz

000125667.td-b3lyp_6-31+g(d).qchem.inp (generated)

000125667.td-b3lyp_6-31+g(d).gjf (generated)

000125667.td-b3lyp_6-31+g(d).firefly.inp (generated)

000125667.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000125667.mol 000125667.PUBCHEM 000125667.mol (via Jmol)
000125671.b3lyp_6-31g(d).inp

000125671.b3lyp_6-31g(d).qchem.inp (generated)

000125671.b3lyp_6-31g(d).gjf (generated)

000125671.b3lyp_6-31g(d).firefly.inp (generated)

000125671.b3lyp_6-31g(d).smash.inp (generated)

000125671.b3lyp_6-31g(d).nwchem.inp (generated) 000125671.b3lyp_6-31g(d).log.xz 000125671.td-b3lyp_6-31g+(d).inp 000125671.td-b3lyp_6-31g+(d).log.xz

000125671.td-b3lyp_6-31+g(d).qchem.inp (generated)

000125671.td-b3lyp_6-31+g(d).gjf (generated)

000125671.td-b3lyp_6-31+g(d).firefly.inp (generated)

000125671.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000125671.mol 000125671.PUBCHEM 000125671.mol (via Jmol)
000125673.b3lyp_6-31g(d).inp

000125673.b3lyp_6-31g(d).qchem.inp (generated)

000125673.b3lyp_6-31g(d).gjf (generated)

000125673.b3lyp_6-31g(d).firefly.inp (generated)

000125673.b3lyp_6-31g(d).smash.inp (generated)

000125673.b3lyp_6-31g(d).nwchem.inp (generated) 000125673.b3lyp_6-31g(d).log.xz 000125673.td-b3lyp_6-31g+(d).inp 000125673.td-b3lyp_6-31g+(d).log.xz

000125673.td-b3lyp_6-31+g(d).qchem.inp (generated)

000125673.td-b3lyp_6-31+g(d).gjf (generated)

000125673.td-b3lyp_6-31+g(d).firefly.inp (generated)

000125673.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000125673.mol 000125673.PUBCHEM 000125673.mol (via Jmol)
000125678.b3lyp_6-31g(d).inp

000125678.b3lyp_6-31g(d).qchem.inp (generated)

000125678.b3lyp_6-31g(d).gjf (generated)

000125678.b3lyp_6-31g(d).firefly.inp (generated)

000125678.b3lyp_6-31g(d).smash.inp (generated)

000125678.b3lyp_6-31g(d).nwchem.inp (generated) 000125678.b3lyp_6-31g(d).log.xz 000125678.td-b3lyp_6-31g+(d).inp 000125678.td-b3lyp_6-31g+(d).log.xz

000125678.td-b3lyp_6-31+g(d).qchem.inp (generated)

000125678.td-b3lyp_6-31+g(d).gjf (generated)

000125678.td-b3lyp_6-31+g(d).firefly.inp (generated)

000125678.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000125678.mol 000125678.PUBCHEM 000125678.mol (via Jmol)
000125689.b3lyp_6-31g(d).inp

000125689.b3lyp_6-31g(d).qchem.inp (generated)

000125689.b3lyp_6-31g(d).gjf (generated)

000125689.b3lyp_6-31g(d).firefly.inp (generated)

000125689.b3lyp_6-31g(d).smash.inp (generated)

000125689.b3lyp_6-31g(d).nwchem.inp (generated) 000125689.b3lyp_6-31g(d).log.xz 000125689.td-b3lyp_6-31g+(d).inp 000125689.td-b3lyp_6-31g+(d).log.xz

000125689.td-b3lyp_6-31+g(d).qchem.inp (generated)

000125689.td-b3lyp_6-31+g(d).gjf (generated)

000125689.td-b3lyp_6-31+g(d).firefly.inp (generated)

000125689.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000125689.mol 000125689.PUBCHEM 000125689.mol (via Jmol)
000125707.b3lyp_6-31g(d).inp

000125707.b3lyp_6-31g(d).qchem.inp (generated)

000125707.b3lyp_6-31g(d).gjf (generated)

000125707.b3lyp_6-31g(d).firefly.inp (generated)

000125707.b3lyp_6-31g(d).smash.inp (generated)

000125707.b3lyp_6-31g(d).nwchem.inp (generated) 000125707.b3lyp_6-31g(d).log.xz 000125707.td-b3lyp_6-31g+(d).inp 000125707.td-b3lyp_6-31g+(d).log.xz

000125707.td-b3lyp_6-31+g(d).qchem.inp (generated)

000125707.td-b3lyp_6-31+g(d).gjf (generated)

000125707.td-b3lyp_6-31+g(d).firefly.inp (generated)

000125707.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000125707.mol 000125707.PUBCHEM 000125707.mol (via Jmol)
000125711.b3lyp_6-31g(d).inp

000125711.b3lyp_6-31g(d).qchem.inp (generated)

000125711.b3lyp_6-31g(d).gjf (generated)

000125711.b3lyp_6-31g(d).firefly.inp (generated)

000125711.b3lyp_6-31g(d).smash.inp (generated)

000125711.b3lyp_6-31g(d).nwchem.inp (generated) 000125711.b3lyp_6-31g(d).log.xz 000125711.td-b3lyp_6-31g+(d).inp 000125711.td-b3lyp_6-31g+(d).log.xz

000125711.td-b3lyp_6-31+g(d).qchem.inp (generated)

000125711.td-b3lyp_6-31+g(d).gjf (generated)

000125711.td-b3lyp_6-31+g(d).firefly.inp (generated)

000125711.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000125711.mol 000125711.PUBCHEM 000125711.mol (via Jmol)
000125722.b3lyp_6-31g(d).inp

000125722.b3lyp_6-31g(d).qchem.inp (generated)

000125722.b3lyp_6-31g(d).gjf (generated)

000125722.b3lyp_6-31g(d).firefly.inp (generated)

000125722.b3lyp_6-31g(d).smash.inp (generated)

000125722.b3lyp_6-31g(d).nwchem.inp (generated) 000125722.b3lyp_6-31g(d).log.xz 000125722.td-b3lyp_6-31g+(d).inp 000125722.td-b3lyp_6-31g+(d).log.xz

000125722.td-b3lyp_6-31+g(d).qchem.inp (generated)

000125722.td-b3lyp_6-31+g(d).gjf (generated)

000125722.td-b3lyp_6-31+g(d).firefly.inp (generated)

000125722.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000125722.mol 000125722.PUBCHEM 000125722.mol (via Jmol)
000125735.b3lyp_6-31g(d).inp

000125735.b3lyp_6-31g(d).qchem.inp (generated)

000125735.b3lyp_6-31g(d).gjf (generated)

000125735.b3lyp_6-31g(d).firefly.inp (generated)

000125735.b3lyp_6-31g(d).smash.inp (generated)

000125735.b3lyp_6-31g(d).nwchem.inp (generated) 000125735.b3lyp_6-31g(d).log.xz 000125735.td-b3lyp_6-31g+(d).inp 000125735.td-b3lyp_6-31g+(d).log.xz

000125735.td-b3lyp_6-31+g(d).qchem.inp (generated)

000125735.td-b3lyp_6-31+g(d).gjf (generated)

000125735.td-b3lyp_6-31+g(d).firefly.inp (generated)

000125735.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000125735.mol 000125735.PUBCHEM 000125735.mol (via Jmol)
000125737.b3lyp_6-31g(d).inp

000125737.b3lyp_6-31g(d).qchem.inp (generated)

000125737.b3lyp_6-31g(d).gjf (generated)

000125737.b3lyp_6-31g(d).firefly.inp (generated)

000125737.b3lyp_6-31g(d).smash.inp (generated)

000125737.b3lyp_6-31g(d).nwchem.inp (generated) 000125737.b3lyp_6-31g(d).log.xz 000125737.td-b3lyp_6-31g+(d).inp 000125737.td-b3lyp_6-31g+(d).log.xz

000125737.td-b3lyp_6-31+g(d).qchem.inp (generated)

000125737.td-b3lyp_6-31+g(d).gjf (generated)

000125737.td-b3lyp_6-31+g(d).firefly.inp (generated)

000125737.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000125737.mol 000125737.PUBCHEM 000125737.mol (via Jmol)
000125747.b3lyp_6-31g(d).inp

000125747.b3lyp_6-31g(d).qchem.inp (generated)

000125747.b3lyp_6-31g(d).gjf (generated)

000125747.b3lyp_6-31g(d).firefly.inp (generated)

000125747.b3lyp_6-31g(d).smash.inp (generated)

000125747.b3lyp_6-31g(d).nwchem.inp (generated) 000125747.b3lyp_6-31g(d).log.xz 000125747.td-b3lyp_6-31g+(d).inp 000125747.td-b3lyp_6-31g+(d).log.xz

000125747.td-b3lyp_6-31+g(d).qchem.inp (generated)

000125747.td-b3lyp_6-31+g(d).gjf (generated)

000125747.td-b3lyp_6-31+g(d).firefly.inp (generated)

000125747.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000125747.mol 000125747.PUBCHEM 000125747.mol (via Jmol)
000125751.b3lyp_6-31g(d).inp

000125751.b3lyp_6-31g(d).qchem.inp (generated)

000125751.b3lyp_6-31g(d).gjf (generated)

000125751.b3lyp_6-31g(d).firefly.inp (generated)

000125751.b3lyp_6-31g(d).smash.inp (generated)

000125751.b3lyp_6-31g(d).nwchem.inp (generated) 000125751.b3lyp_6-31g(d).log.xz 000125751.td-b3lyp_6-31g+(d).inp 000125751.td-b3lyp_6-31g+(d).log.xz

000125751.td-b3lyp_6-31+g(d).qchem.inp (generated)

000125751.td-b3lyp_6-31+g(d).gjf (generated)

000125751.td-b3lyp_6-31+g(d).firefly.inp (generated)

000125751.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000125751.mol 000125751.PUBCHEM 000125751.mol (via Jmol)
000125756.b3lyp_6-31g(d).inp

000125756.b3lyp_6-31g(d).qchem.inp (generated)

000125756.b3lyp_6-31g(d).gjf (generated)

000125756.b3lyp_6-31g(d).firefly.inp (generated)

000125756.b3lyp_6-31g(d).smash.inp (generated)

000125756.b3lyp_6-31g(d).nwchem.inp (generated) 000125756.b3lyp_6-31g(d).log.xz 000125756.td-b3lyp_6-31g+(d).inp 000125756.td-b3lyp_6-31g+(d).log.xz

000125756.td-b3lyp_6-31+g(d).qchem.inp (generated)

000125756.td-b3lyp_6-31+g(d).gjf (generated)

000125756.td-b3lyp_6-31+g(d).firefly.inp (generated)

000125756.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000125756.mol 000125756.PUBCHEM 000125756.mol (via Jmol)
000125757.b3lyp_6-31g(d).inp

000125757.b3lyp_6-31g(d).qchem.inp (generated)

000125757.b3lyp_6-31g(d).gjf (generated)

000125757.b3lyp_6-31g(d).firefly.inp (generated)

000125757.b3lyp_6-31g(d).smash.inp (generated)

000125757.b3lyp_6-31g(d).nwchem.inp (generated) 000125757.b3lyp_6-31g(d).log.xz 000125757.td-b3lyp_6-31g+(d).inp 000125757.td-b3lyp_6-31g+(d).log.xz

000125757.td-b3lyp_6-31+g(d).qchem.inp (generated)

000125757.td-b3lyp_6-31+g(d).gjf (generated)

000125757.td-b3lyp_6-31+g(d).firefly.inp (generated)

000125757.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000125757.mol 000125757.PUBCHEM 000125757.mol (via Jmol)
000125758.b3lyp_6-31g(d).inp

000125758.b3lyp_6-31g(d).qchem.inp (generated)

000125758.b3lyp_6-31g(d).gjf (generated)

000125758.b3lyp_6-31g(d).firefly.inp (generated)

000125758.b3lyp_6-31g(d).smash.inp (generated)

000125758.b3lyp_6-31g(d).nwchem.inp (generated) 000125758.b3lyp_6-31g(d).log.xz 000125758.mol 000125758.PUBCHEM 000125758.mol (via Jmol)
000125764.b3lyp_6-31g(d).inp

000125764.b3lyp_6-31g(d).qchem.inp (generated)

000125764.b3lyp_6-31g(d).gjf (generated)

000125764.b3lyp_6-31g(d).firefly.inp (generated)

000125764.b3lyp_6-31g(d).smash.inp (generated)

000125764.b3lyp_6-31g(d).nwchem.inp (generated) 000125764.b3lyp_6-31g(d).log.xz 000125764.mol 000125764.PUBCHEM 000125764.mol (via Jmol)
000125765.b3lyp_6-31g(d).inp

000125765.b3lyp_6-31g(d).qchem.inp (generated)

000125765.b3lyp_6-31g(d).gjf (generated)

000125765.b3lyp_6-31g(d).firefly.inp (generated)

000125765.b3lyp_6-31g(d).smash.inp (generated)

000125765.b3lyp_6-31g(d).nwchem.inp (generated) 000125765.b3lyp_6-31g(d).log.xz 000125765.td-b3lyp_6-31g+(d).inp 000125765.td-b3lyp_6-31g+(d).log.xz

000125765.td-b3lyp_6-31+g(d).qchem.inp (generated)

000125765.td-b3lyp_6-31+g(d).gjf (generated)

000125765.td-b3lyp_6-31+g(d).firefly.inp (generated)

000125765.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000125765.mol 000125765.PUBCHEM 000125765.mol (via Jmol)
000125766.b3lyp_6-31g(d).inp

000125766.b3lyp_6-31g(d).qchem.inp (generated)

000125766.b3lyp_6-31g(d).gjf (generated)

000125766.b3lyp_6-31g(d).firefly.inp (generated)

000125766.b3lyp_6-31g(d).smash.inp (generated)

000125766.b3lyp_6-31g(d).nwchem.inp (generated) 000125766.b3lyp_6-31g(d).log.xz 000125766.td-b3lyp_6-31g+(d).inp 000125766.td-b3lyp_6-31g+(d).log.xz

000125766.td-b3lyp_6-31+g(d).qchem.inp (generated)

000125766.td-b3lyp_6-31+g(d).gjf (generated)

000125766.td-b3lyp_6-31+g(d).firefly.inp (generated)

000125766.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000125766.mol 000125766.PUBCHEM 000125766.mol (via Jmol)
000125774.b3lyp_6-31g(d).inp

000125774.b3lyp_6-31g(d).qchem.inp (generated)

000125774.b3lyp_6-31g(d).gjf (generated)

000125774.b3lyp_6-31g(d).firefly.inp (generated)

000125774.b3lyp_6-31g(d).smash.inp (generated)

000125774.b3lyp_6-31g(d).nwchem.inp (generated) 000125774.b3lyp_6-31g(d).log.xz 000125774.td-b3lyp_6-31g+(d).inp 000125774.td-b3lyp_6-31g+(d).log.xz

000125774.td-b3lyp_6-31+g(d).qchem.inp (generated)

000125774.td-b3lyp_6-31+g(d).gjf (generated)

000125774.td-b3lyp_6-31+g(d).firefly.inp (generated)

000125774.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000125774.mol 000125774.PUBCHEM 000125774.mol (via Jmol)
000125775.b3lyp_6-31g(d).inp

000125775.b3lyp_6-31g(d).qchem.inp (generated)

000125775.b3lyp_6-31g(d).gjf (generated)

000125775.b3lyp_6-31g(d).firefly.inp (generated)

000125775.b3lyp_6-31g(d).smash.inp (generated)

000125775.b3lyp_6-31g(d).nwchem.inp (generated) 000125775.b3lyp_6-31g(d).log.xz 000125775.td-b3lyp_6-31g+(d).inp 000125775.td-b3lyp_6-31g+(d).log.xz

000125775.td-b3lyp_6-31+g(d).qchem.inp (generated)

000125775.td-b3lyp_6-31+g(d).gjf (generated)

000125775.td-b3lyp_6-31+g(d).firefly.inp (generated)

000125775.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000125775.mol 000125775.PUBCHEM 000125775.mol (via Jmol)
000125776.b3lyp_6-31g(d).inp

000125776.b3lyp_6-31g(d).qchem.inp (generated)

000125776.b3lyp_6-31g(d).gjf (generated)

000125776.b3lyp_6-31g(d).firefly.inp (generated)

000125776.b3lyp_6-31g(d).smash.inp (generated)

000125776.b3lyp_6-31g(d).nwchem.inp (generated) 000125776.b3lyp_6-31g(d).log.xz 000125776.td-b3lyp_6-31g+(d).inp 000125776.td-b3lyp_6-31g+(d).log.xz

000125776.td-b3lyp_6-31+g(d).qchem.inp (generated)

000125776.td-b3lyp_6-31+g(d).gjf (generated)

000125776.td-b3lyp_6-31+g(d).firefly.inp (generated)

000125776.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000125776.mol 000125776.PUBCHEM 000125776.mol (via Jmol)
000125777.b3lyp_6-31g(d).inp

000125777.b3lyp_6-31g(d).qchem.inp (generated)

000125777.b3lyp_6-31g(d).gjf (generated)

000125777.b3lyp_6-31g(d).firefly.inp (generated)

000125777.b3lyp_6-31g(d).smash.inp (generated)

000125777.b3lyp_6-31g(d).nwchem.inp (generated) 000125777.b3lyp_6-31g(d).log.xz 000125777.td-b3lyp_6-31g+(d).inp 000125777.td-b3lyp_6-31g+(d).log.xz

000125777.td-b3lyp_6-31+g(d).qchem.inp (generated)

000125777.td-b3lyp_6-31+g(d).gjf (generated)

000125777.td-b3lyp_6-31+g(d).firefly.inp (generated)

000125777.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000125777.mol 000125777.PUBCHEM 000125777.mol (via Jmol)
000125780.b3lyp_6-31g(d).inp

000125780.b3lyp_6-31g(d).qchem.inp (generated)

000125780.b3lyp_6-31g(d).gjf (generated)

000125780.b3lyp_6-31g(d).firefly.inp (generated)

000125780.b3lyp_6-31g(d).smash.inp (generated)

000125780.b3lyp_6-31g(d).nwchem.inp (generated) 000125780.b3lyp_6-31g(d).log.xz 000125780.td-b3lyp_6-31g+(d).inp 000125780.td-b3lyp_6-31g+(d).log.xz

000125780.td-b3lyp_6-31+g(d).qchem.inp (generated)

000125780.td-b3lyp_6-31+g(d).gjf (generated)

000125780.td-b3lyp_6-31+g(d).firefly.inp (generated)

000125780.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000125780.mol 000125780.PUBCHEM 000125780.mol (via Jmol)
000125784.b3lyp_6-31g(d).inp

000125784.b3lyp_6-31g(d).qchem.inp (generated)

000125784.b3lyp_6-31g(d).gjf (generated)

000125784.b3lyp_6-31g(d).firefly.inp (generated)

000125784.b3lyp_6-31g(d).smash.inp (generated)

000125784.b3lyp_6-31g(d).nwchem.inp (generated) 000125784.b3lyp_6-31g(d).log.xz 000125784.td-b3lyp_6-31g+(d).inp 000125784.td-b3lyp_6-31g+(d).log.xz

000125784.td-b3lyp_6-31+g(d).qchem.inp (generated)

000125784.td-b3lyp_6-31+g(d).gjf (generated)

000125784.td-b3lyp_6-31+g(d).firefly.inp (generated)

000125784.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000125784.mol 000125784.PUBCHEM 000125784.mol (via Jmol)
000125793.b3lyp_6-31g(d).inp

000125793.b3lyp_6-31g(d).qchem.inp (generated)

000125793.b3lyp_6-31g(d).gjf (generated)

000125793.b3lyp_6-31g(d).firefly.inp (generated)

000125793.b3lyp_6-31g(d).smash.inp (generated)

000125793.b3lyp_6-31g(d).nwchem.inp (generated) 000125793.b3lyp_6-31g(d).log.xz 000125793.td-b3lyp_6-31g+(d).inp 000125793.td-b3lyp_6-31g+(d).log.xz

000125793.td-b3lyp_6-31+g(d).qchem.inp (generated)

000125793.td-b3lyp_6-31+g(d).gjf (generated)

000125793.td-b3lyp_6-31+g(d).firefly.inp (generated)

000125793.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000125793.mol 000125793.PUBCHEM 000125793.mol (via Jmol)
000125796.b3lyp_6-31g(d).inp

000125796.b3lyp_6-31g(d).qchem.inp (generated)

000125796.b3lyp_6-31g(d).gjf (generated)

000125796.b3lyp_6-31g(d).firefly.inp (generated)

000125796.b3lyp_6-31g(d).smash.inp (generated)

000125796.b3lyp_6-31g(d).nwchem.inp (generated) 000125796.b3lyp_6-31g(d).log.xz 000125796.mol 000125796.PUBCHEM 000125796.mol (via Jmol)
000125799.b3lyp_6-31g(d).inp

000125799.b3lyp_6-31g(d).qchem.inp (generated)

000125799.b3lyp_6-31g(d).gjf (generated)

000125799.b3lyp_6-31g(d).firefly.inp (generated)

000125799.b3lyp_6-31g(d).smash.inp (generated)

000125799.b3lyp_6-31g(d).nwchem.inp (generated) 000125799.b3lyp_6-31g(d).log.xz 000125799.td-b3lyp_6-31g+(d).inp 000125799.td-b3lyp_6-31g+(d).log.xz

000125799.td-b3lyp_6-31+g(d).qchem.inp (generated)

000125799.td-b3lyp_6-31+g(d).gjf (generated)

000125799.td-b3lyp_6-31+g(d).firefly.inp (generated)

000125799.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000125799.mol 000125799.PUBCHEM 000125799.mol (via Jmol)
000125807.b3lyp_6-31g(d).inp

000125807.b3lyp_6-31g(d).qchem.inp (generated)

000125807.b3lyp_6-31g(d).gjf (generated)

000125807.b3lyp_6-31g(d).firefly.inp (generated)

000125807.b3lyp_6-31g(d).smash.inp (generated)

000125807.b3lyp_6-31g(d).nwchem.inp (generated) 000125807.b3lyp_6-31g(d).log.xz 000125807.td-b3lyp_6-31g+(d).inp 000125807.td-b3lyp_6-31g+(d).log.xz

000125807.td-b3lyp_6-31+g(d).qchem.inp (generated)

000125807.td-b3lyp_6-31+g(d).gjf (generated)

000125807.td-b3lyp_6-31+g(d).firefly.inp (generated)

000125807.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000125807.mol 000125807.PUBCHEM 000125807.mol (via Jmol)
000125811.b3lyp_6-31g(d).inp

000125811.b3lyp_6-31g(d).qchem.inp (generated)

000125811.b3lyp_6-31g(d).gjf (generated)

000125811.b3lyp_6-31g(d).firefly.inp (generated)

000125811.b3lyp_6-31g(d).smash.inp (generated)

000125811.b3lyp_6-31g(d).nwchem.inp (generated) 000125811.b3lyp_6-31g(d).log.xz 000125811.td-b3lyp_6-31g+(d).inp 000125811.td-b3lyp_6-31g+(d).log.xz

000125811.td-b3lyp_6-31+g(d).qchem.inp (generated)

000125811.td-b3lyp_6-31+g(d).gjf (generated)

000125811.td-b3lyp_6-31+g(d).firefly.inp (generated)

000125811.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000125811.mol 000125811.PUBCHEM 000125811.mol (via Jmol)
000125812.b3lyp_6-31g(d).inp

000125812.b3lyp_6-31g(d).qchem.inp (generated)

000125812.b3lyp_6-31g(d).gjf (generated)

000125812.b3lyp_6-31g(d).firefly.inp (generated)

000125812.b3lyp_6-31g(d).smash.inp (generated)

000125812.b3lyp_6-31g(d).nwchem.inp (generated) 000125812.b3lyp_6-31g(d).log.xz 000125812.td-b3lyp_6-31g+(d).inp 000125812.td-b3lyp_6-31g+(d).log.xz

000125812.td-b3lyp_6-31+g(d).qchem.inp (generated)

000125812.td-b3lyp_6-31+g(d).gjf (generated)

000125812.td-b3lyp_6-31+g(d).firefly.inp (generated)

000125812.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000125812.mol 000125812.PUBCHEM 000125812.mol (via Jmol)
000125814.b3lyp_6-31g(d).inp

000125814.b3lyp_6-31g(d).qchem.inp (generated)

000125814.b3lyp_6-31g(d).gjf (generated)

000125814.b3lyp_6-31g(d).firefly.inp (generated)

000125814.b3lyp_6-31g(d).smash.inp (generated)

000125814.b3lyp_6-31g(d).nwchem.inp (generated) 000125814.b3lyp_6-31g(d).log.xz 000125814.td-b3lyp_6-31g+(d).inp 000125814.td-b3lyp_6-31g+(d).log.xz

000125814.td-b3lyp_6-31+g(d).qchem.inp (generated)

000125814.td-b3lyp_6-31+g(d).gjf (generated)

000125814.td-b3lyp_6-31+g(d).firefly.inp (generated)

000125814.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000125814.mol 000125814.PUBCHEM 000125814.mol (via Jmol)
000125830.b3lyp_6-31g(d).inp

000125830.b3lyp_6-31g(d).qchem.inp (generated)

000125830.b3lyp_6-31g(d).gjf (generated)

000125830.b3lyp_6-31g(d).firefly.inp (generated)

000125830.b3lyp_6-31g(d).smash.inp (generated)

000125830.b3lyp_6-31g(d).nwchem.inp (generated) 000125830.b3lyp_6-31g(d).log.xz 000125830.td-b3lyp_6-31g+(d).inp 000125830.td-b3lyp_6-31g+(d).log.xz

000125830.td-b3lyp_6-31+g(d).qchem.inp (generated)

000125830.td-b3lyp_6-31+g(d).gjf (generated)

000125830.td-b3lyp_6-31+g(d).firefly.inp (generated)

000125830.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000125830.mol 000125830.PUBCHEM 000125830.mol (via Jmol)
000125832.b3lyp_6-31g(d).inp

000125832.b3lyp_6-31g(d).qchem.inp (generated)

000125832.b3lyp_6-31g(d).gjf (generated)

000125832.b3lyp_6-31g(d).firefly.inp (generated)

000125832.b3lyp_6-31g(d).smash.inp (generated)

000125832.b3lyp_6-31g(d).nwchem.inp (generated) 000125832.b3lyp_6-31g(d).log.xz 000125832.td-b3lyp_6-31g+(d).inp 000125832.td-b3lyp_6-31g+(d).log.xz

000125832.td-b3lyp_6-31+g(d).qchem.inp (generated)

000125832.td-b3lyp_6-31+g(d).gjf (generated)

000125832.td-b3lyp_6-31+g(d).firefly.inp (generated)

000125832.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000125832.mol 000125832.PUBCHEM 000125832.mol (via Jmol)
000125833.b3lyp_6-31g(d).inp

000125833.b3lyp_6-31g(d).qchem.inp (generated)

000125833.b3lyp_6-31g(d).gjf (generated)

000125833.b3lyp_6-31g(d).firefly.inp (generated)

000125833.b3lyp_6-31g(d).smash.inp (generated)

000125833.b3lyp_6-31g(d).nwchem.inp (generated) 000125833.b3lyp_6-31g(d).log.xz 000125833.td-b3lyp_6-31g+(d).inp 000125833.td-b3lyp_6-31g+(d).log.xz

000125833.td-b3lyp_6-31+g(d).qchem.inp (generated)

000125833.td-b3lyp_6-31+g(d).gjf (generated)

000125833.td-b3lyp_6-31+g(d).firefly.inp (generated)

000125833.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000125833.mol 000125833.PUBCHEM 000125833.mol (via Jmol)
000125868.b3lyp_6-31g(d).inp

000125868.b3lyp_6-31g(d).qchem.inp (generated)

000125868.b3lyp_6-31g(d).gjf (generated)

000125868.b3lyp_6-31g(d).firefly.inp (generated)

000125868.b3lyp_6-31g(d).smash.inp (generated)

000125868.b3lyp_6-31g(d).nwchem.inp (generated) 000125868.b3lyp_6-31g(d).log.xz 000125868.td-b3lyp_6-31g+(d).inp 000125868.td-b3lyp_6-31g+(d).log.xz

000125868.td-b3lyp_6-31+g(d).qchem.inp (generated)

000125868.td-b3lyp_6-31+g(d).gjf (generated)

000125868.td-b3lyp_6-31+g(d).firefly.inp (generated)

000125868.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000125868.mol 000125868.PUBCHEM 000125868.mol (via Jmol)
000125889.b3lyp_6-31g(d).inp

000125889.b3lyp_6-31g(d).qchem.inp (generated)

000125889.b3lyp_6-31g(d).gjf (generated)

000125889.b3lyp_6-31g(d).firefly.inp (generated)

000125889.b3lyp_6-31g(d).smash.inp (generated)

000125889.b3lyp_6-31g(d).nwchem.inp (generated) 000125889.b3lyp_6-31g(d).log.xz 000125889.td-b3lyp_6-31g+(d).inp 000125889.td-b3lyp_6-31g+(d).log.xz

000125889.td-b3lyp_6-31+g(d).qchem.inp (generated)

000125889.td-b3lyp_6-31+g(d).gjf (generated)

000125889.td-b3lyp_6-31+g(d).firefly.inp (generated)

000125889.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000125889.mol 000125889.PUBCHEM 000125889.mol (via Jmol)
000125916.b3lyp_6-31g(d).inp

000125916.b3lyp_6-31g(d).qchem.inp (generated)

000125916.b3lyp_6-31g(d).gjf (generated)

000125916.b3lyp_6-31g(d).firefly.inp (generated)

000125916.b3lyp_6-31g(d).smash.inp (generated)

000125916.b3lyp_6-31g(d).nwchem.inp (generated) 000125916.b3lyp_6-31g(d).log.xz 000125916.td-b3lyp_6-31g+(d).inp 000125916.td-b3lyp_6-31g+(d).log.xz

000125916.td-b3lyp_6-31+g(d).qchem.inp (generated)

000125916.td-b3lyp_6-31+g(d).gjf (generated)

000125916.td-b3lyp_6-31+g(d).firefly.inp (generated)

000125916.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000125916.mol 000125916.PUBCHEM 000125916.mol (via Jmol)
000125917.b3lyp_6-31g(d).inp

000125917.b3lyp_6-31g(d).qchem.inp (generated)

000125917.b3lyp_6-31g(d).gjf (generated)

000125917.b3lyp_6-31g(d).firefly.inp (generated)

000125917.b3lyp_6-31g(d).smash.inp (generated)

000125917.b3lyp_6-31g(d).nwchem.inp (generated) 000125917.b3lyp_6-31g(d).log.xz 000125917.mol 000125917.PUBCHEM 000125917.mol (via Jmol)
000125920.b3lyp_6-31g(d).inp

000125920.b3lyp_6-31g(d).qchem.inp (generated)

000125920.b3lyp_6-31g(d).gjf (generated)

000125920.b3lyp_6-31g(d).firefly.inp (generated)

000125920.b3lyp_6-31g(d).smash.inp (generated)

000125920.b3lyp_6-31g(d).nwchem.inp (generated) 000125920.b3lyp_6-31g(d).log.xz 000125920.mol 000125920.PUBCHEM 000125920.mol (via Jmol)
000125935.b3lyp_6-31g(d).inp

000125935.b3lyp_6-31g(d).qchem.inp (generated)

000125935.b3lyp_6-31g(d).gjf (generated)

000125935.b3lyp_6-31g(d).firefly.inp (generated)

000125935.b3lyp_6-31g(d).smash.inp (generated)

000125935.b3lyp_6-31g(d).nwchem.inp (generated) 000125935.b3lyp_6-31g(d).log.xz 000125935.td-b3lyp_6-31g+(d).inp 000125935.td-b3lyp_6-31g+(d).log.xz

000125935.td-b3lyp_6-31+g(d).qchem.inp (generated)

000125935.td-b3lyp_6-31+g(d).gjf (generated)

000125935.td-b3lyp_6-31+g(d).firefly.inp (generated)

000125935.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000125935.mol 000125935.PUBCHEM 000125935.mol (via Jmol)
000125963.b3lyp_6-31g(d).inp

000125963.b3lyp_6-31g(d).qchem.inp (generated)

000125963.b3lyp_6-31g(d).gjf (generated)

000125963.b3lyp_6-31g(d).firefly.inp (generated)

000125963.b3lyp_6-31g(d).smash.inp (generated)

000125963.b3lyp_6-31g(d).nwchem.inp (generated) 000125963.b3lyp_6-31g(d).log.xz 000125963.td-b3lyp_6-31g+(d).inp 000125963.td-b3lyp_6-31g+(d).log.xz

000125963.td-b3lyp_6-31+g(d).qchem.inp (generated)

000125963.td-b3lyp_6-31+g(d).gjf (generated)

000125963.td-b3lyp_6-31+g(d).firefly.inp (generated)

000125963.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000125963.mol 000125963.PUBCHEM 000125963.mol (via Jmol)
000125967.b3lyp_6-31g(d).inp

000125967.b3lyp_6-31g(d).qchem.inp (generated)

000125967.b3lyp_6-31g(d).gjf (generated)

000125967.b3lyp_6-31g(d).firefly.inp (generated)

000125967.b3lyp_6-31g(d).smash.inp (generated)

000125967.b3lyp_6-31g(d).nwchem.inp (generated) 000125967.b3lyp_6-31g(d).log.xz 000125967.td-b3lyp_6-31g+(d).inp 000125967.td-b3lyp_6-31g+(d).log.xz

000125967.td-b3lyp_6-31+g(d).qchem.inp (generated)

000125967.td-b3lyp_6-31+g(d).gjf (generated)

000125967.td-b3lyp_6-31+g(d).firefly.inp (generated)

000125967.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000125967.mol 000125967.PUBCHEM 000125967.mol (via Jmol)
000125989.b3lyp_6-31g(d).inp

000125989.b3lyp_6-31g(d).qchem.inp (generated)

000125989.b3lyp_6-31g(d).gjf (generated)

000125989.b3lyp_6-31g(d).firefly.inp (generated)

000125989.b3lyp_6-31g(d).smash.inp (generated)

000125989.b3lyp_6-31g(d).nwchem.inp (generated) 000125989.b3lyp_6-31g(d).log.xz 000125989.td-b3lyp_6-31g+(d).inp 000125989.td-b3lyp_6-31g+(d).log.xz

000125989.td-b3lyp_6-31+g(d).qchem.inp (generated)

000125989.td-b3lyp_6-31+g(d).gjf (generated)

000125989.td-b3lyp_6-31+g(d).firefly.inp (generated)

000125989.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000125989.mol 000125989.PUBCHEM 000125989.mol (via Jmol)
000125991.b3lyp_6-31g(d).inp

000125991.b3lyp_6-31g(d).qchem.inp (generated)

000125991.b3lyp_6-31g(d).gjf (generated)

000125991.b3lyp_6-31g(d).firefly.inp (generated)

000125991.b3lyp_6-31g(d).smash.inp (generated)

000125991.b3lyp_6-31g(d).nwchem.inp (generated) 000125991.b3lyp_6-31g(d).log.xz 000125991.td-b3lyp_6-31g+(d).inp 000125991.td-b3lyp_6-31g+(d).log.xz

000125991.td-b3lyp_6-31+g(d).qchem.inp (generated)

000125991.td-b3lyp_6-31+g(d).gjf (generated)

000125991.td-b3lyp_6-31+g(d).firefly.inp (generated)

000125991.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000125991.mol 000125991.PUBCHEM 000125991.mol (via Jmol)
000125998.b3lyp_6-31g(d).inp

000125998.b3lyp_6-31g(d).qchem.inp (generated)

000125998.b3lyp_6-31g(d).gjf (generated)

000125998.b3lyp_6-31g(d).firefly.inp (generated)

000125998.b3lyp_6-31g(d).smash.inp (generated)

000125998.b3lyp_6-31g(d).nwchem.inp (generated) 000125998.b3lyp_6-31g(d).log.xz 000125998.td-b3lyp_6-31g+(d).inp 000125998.td-b3lyp_6-31g+(d).log.xz

000125998.td-b3lyp_6-31+g(d).qchem.inp (generated)

000125998.td-b3lyp_6-31+g(d).gjf (generated)

000125998.td-b3lyp_6-31+g(d).firefly.inp (generated)

000125998.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000125998.mol 000125998.PUBCHEM 000125998.mol (via Jmol)
000126001.b3lyp_6-31g(d).inp

000126001.b3lyp_6-31g(d).qchem.inp (generated)

000126001.b3lyp_6-31g(d).gjf (generated)

000126001.b3lyp_6-31g(d).firefly.inp (generated)

000126001.b3lyp_6-31g(d).smash.inp (generated)

000126001.b3lyp_6-31g(d).nwchem.inp (generated) 000126001.b3lyp_6-31g(d).log.xz 000126001.td-b3lyp_6-31g+(d).inp 000126001.td-b3lyp_6-31g+(d).log.xz

000126001.td-b3lyp_6-31+g(d).qchem.inp (generated)

000126001.td-b3lyp_6-31+g(d).gjf (generated)

000126001.td-b3lyp_6-31+g(d).firefly.inp (generated)

000126001.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000126001.mol 000126001.PUBCHEM 000126001.mol (via Jmol)
000126020.b3lyp_6-31g(d).inp

000126020.b3lyp_6-31g(d).qchem.inp (generated)

000126020.b3lyp_6-31g(d).gjf (generated)

000126020.b3lyp_6-31g(d).firefly.inp (generated)

000126020.b3lyp_6-31g(d).smash.inp (generated)

000126020.b3lyp_6-31g(d).nwchem.inp (generated) 000126020.b3lyp_6-31g(d).log.xz 000126020.td-b3lyp_6-31g+(d).inp 000126020.td-b3lyp_6-31g+(d).log.xz

000126020.td-b3lyp_6-31+g(d).qchem.inp (generated)

000126020.td-b3lyp_6-31+g(d).gjf (generated)

000126020.td-b3lyp_6-31+g(d).firefly.inp (generated)

000126020.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000126020.mol 000126020.PUBCHEM 000126020.mol (via Jmol)
000126041.b3lyp_6-31g(d).inp

000126041.b3lyp_6-31g(d).qchem.inp (generated)

000126041.b3lyp_6-31g(d).gjf (generated)

000126041.b3lyp_6-31g(d).firefly.inp (generated)

000126041.b3lyp_6-31g(d).smash.inp (generated)

000126041.b3lyp_6-31g(d).nwchem.inp (generated) 000126041.b3lyp_6-31g(d).log.xz 000126041.td-b3lyp_6-31g+(d).inp 000126041.td-b3lyp_6-31g+(d).log.xz

000126041.td-b3lyp_6-31+g(d).qchem.inp (generated)

000126041.td-b3lyp_6-31+g(d).gjf (generated)

000126041.td-b3lyp_6-31+g(d).firefly.inp (generated)

000126041.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000126041.mol 000126041.PUBCHEM 000126041.mol (via Jmol)
000126043.b3lyp_6-31g(d).inp

000126043.b3lyp_6-31g(d).qchem.inp (generated)

000126043.b3lyp_6-31g(d).gjf (generated)

000126043.b3lyp_6-31g(d).firefly.inp (generated)

000126043.b3lyp_6-31g(d).smash.inp (generated)

000126043.b3lyp_6-31g(d).nwchem.inp (generated) 000126043.b3lyp_6-31g(d).log.xz 000126043.td-b3lyp_6-31g+(d).inp 000126043.td-b3lyp_6-31g+(d).log.xz

000126043.td-b3lyp_6-31+g(d).qchem.inp (generated)

000126043.td-b3lyp_6-31+g(d).gjf (generated)

000126043.td-b3lyp_6-31+g(d).firefly.inp (generated)

000126043.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000126043.mol 000126043.PUBCHEM 000126043.mol (via Jmol)
000126055.b3lyp_6-31g(d).inp

000126055.b3lyp_6-31g(d).qchem.inp (generated)

000126055.b3lyp_6-31g(d).gjf (generated)

000126055.b3lyp_6-31g(d).firefly.inp (generated)

000126055.b3lyp_6-31g(d).smash.inp (generated)

000126055.b3lyp_6-31g(d).nwchem.inp (generated) 000126055.b3lyp_6-31g(d).log.xz 000126055.td-b3lyp_6-31g+(d).inp 000126055.td-b3lyp_6-31g+(d).log.xz

000126055.td-b3lyp_6-31+g(d).qchem.inp (generated)

000126055.td-b3lyp_6-31+g(d).gjf (generated)

000126055.td-b3lyp_6-31+g(d).firefly.inp (generated)

000126055.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000126055.mol 000126055.PUBCHEM 000126055.mol (via Jmol)
000126070.b3lyp_6-31g(d).inp

000126070.b3lyp_6-31g(d).qchem.inp (generated)

000126070.b3lyp_6-31g(d).gjf (generated)

000126070.b3lyp_6-31g(d).firefly.inp (generated)

000126070.b3lyp_6-31g(d).smash.inp (generated)

000126070.b3lyp_6-31g(d).nwchem.inp (generated) 000126070.b3lyp_6-31g(d).log.xz 000126070.td-b3lyp_6-31g+(d).inp 000126070.td-b3lyp_6-31g+(d).log.xz

000126070.td-b3lyp_6-31+g(d).qchem.inp (generated)

000126070.td-b3lyp_6-31+g(d).gjf (generated)

000126070.td-b3lyp_6-31+g(d).firefly.inp (generated)

000126070.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000126070.mol 000126070.PUBCHEM 000126070.mol (via Jmol)
000126080.b3lyp_6-31g(d).inp

000126080.b3lyp_6-31g(d).qchem.inp (generated)

000126080.b3lyp_6-31g(d).gjf (generated)

000126080.b3lyp_6-31g(d).firefly.inp (generated)

000126080.b3lyp_6-31g(d).smash.inp (generated)

000126080.b3lyp_6-31g(d).nwchem.inp (generated) 000126080.b3lyp_6-31g(d).log.xz 000126080.td-b3lyp_6-31g+(d).inp 000126080.td-b3lyp_6-31g+(d).log.xz

000126080.td-b3lyp_6-31+g(d).qchem.inp (generated)

000126080.td-b3lyp_6-31+g(d).gjf (generated)

000126080.td-b3lyp_6-31+g(d).firefly.inp (generated)

000126080.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000126080.mol 000126080.PUBCHEM 000126080.mol (via Jmol)
000126081.b3lyp_6-31g(d).inp

000126081.b3lyp_6-31g(d).qchem.inp (generated)

000126081.b3lyp_6-31g(d).gjf (generated)

000126081.b3lyp_6-31g(d).firefly.inp (generated)

000126081.b3lyp_6-31g(d).smash.inp (generated)

000126081.b3lyp_6-31g(d).nwchem.inp (generated) 000126081.b3lyp_6-31g(d).log.xz 000126081.td-b3lyp_6-31g+(d).inp 000126081.td-b3lyp_6-31g+(d).log.xz

000126081.td-b3lyp_6-31+g(d).qchem.inp (generated)

000126081.td-b3lyp_6-31+g(d).gjf (generated)

000126081.td-b3lyp_6-31+g(d).firefly.inp (generated)

000126081.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000126081.mol 000126081.PUBCHEM 000126081.mol (via Jmol)
000126103.b3lyp_6-31g(d).inp

000126103.b3lyp_6-31g(d).qchem.inp (generated)

000126103.b3lyp_6-31g(d).gjf (generated)

000126103.b3lyp_6-31g(d).firefly.inp (generated)

000126103.b3lyp_6-31g(d).smash.inp (generated)

000126103.b3lyp_6-31g(d).nwchem.inp (generated) 000126103.b3lyp_6-31g(d).log.xz 000126103.td-b3lyp_6-31g+(d).inp 000126103.td-b3lyp_6-31g+(d).log.xz

000126103.td-b3lyp_6-31+g(d).qchem.inp (generated)

000126103.td-b3lyp_6-31+g(d).gjf (generated)

000126103.td-b3lyp_6-31+g(d).firefly.inp (generated)

000126103.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000126103.mol 000126103.PUBCHEM 000126103.mol (via Jmol)
000126119.b3lyp_6-31g(d).inp

000126119.b3lyp_6-31g(d).qchem.inp (generated)

000126119.b3lyp_6-31g(d).gjf (generated)

000126119.b3lyp_6-31g(d).firefly.inp (generated)

000126119.b3lyp_6-31g(d).smash.inp (generated)

000126119.b3lyp_6-31g(d).nwchem.inp (generated) 000126119.b3lyp_6-31g(d).log.xz 000126119.td-b3lyp_6-31g+(d).inp 000126119.td-b3lyp_6-31g+(d).log.xz

000126119.td-b3lyp_6-31+g(d).qchem.inp (generated)

000126119.td-b3lyp_6-31+g(d).gjf (generated)

000126119.td-b3lyp_6-31+g(d).firefly.inp (generated)

000126119.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000126119.mol 000126119.PUBCHEM 000126119.mol (via Jmol)
000126135.b3lyp_6-31g(d).inp

000126135.b3lyp_6-31g(d).qchem.inp (generated)

000126135.b3lyp_6-31g(d).gjf (generated)

000126135.b3lyp_6-31g(d).firefly.inp (generated)

000126135.b3lyp_6-31g(d).smash.inp (generated)

000126135.b3lyp_6-31g(d).nwchem.inp (generated) 000126135.b3lyp_6-31g(d).log.xz 000126135.mol 000126135.PUBCHEM 000126135.mol (via Jmol)
000126147.b3lyp_6-31g(d).inp

000126147.b3lyp_6-31g(d).qchem.inp (generated)

000126147.b3lyp_6-31g(d).gjf (generated)

000126147.b3lyp_6-31g(d).firefly.inp (generated)

000126147.b3lyp_6-31g(d).smash.inp (generated)

000126147.b3lyp_6-31g(d).nwchem.inp (generated) 000126147.b3lyp_6-31g(d).log.xz 000126147.td-b3lyp_6-31g+(d).inp 000126147.td-b3lyp_6-31g+(d).log.xz

000126147.td-b3lyp_6-31+g(d).qchem.inp (generated)

000126147.td-b3lyp_6-31+g(d).gjf (generated)

000126147.td-b3lyp_6-31+g(d).firefly.inp (generated)

000126147.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000126147.mol 000126147.PUBCHEM 000126147.mol (via Jmol)
000126148.b3lyp_6-31g(d).inp

000126148.b3lyp_6-31g(d).qchem.inp (generated)

000126148.b3lyp_6-31g(d).gjf (generated)

000126148.b3lyp_6-31g(d).firefly.inp (generated)

000126148.b3lyp_6-31g(d).smash.inp (generated)

000126148.b3lyp_6-31g(d).nwchem.inp (generated) 000126148.b3lyp_6-31g(d).log.xz 000126148.td-b3lyp_6-31g+(d).inp 000126148.td-b3lyp_6-31g+(d).log.xz

000126148.td-b3lyp_6-31+g(d).qchem.inp (generated)

000126148.td-b3lyp_6-31+g(d).gjf (generated)

000126148.td-b3lyp_6-31+g(d).firefly.inp (generated)

000126148.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000126148.mol 000126148.PUBCHEM 000126148.mol (via Jmol)
000126154.b3lyp_6-31g(d).inp

000126154.b3lyp_6-31g(d).qchem.inp (generated)

000126154.b3lyp_6-31g(d).gjf (generated)

000126154.b3lyp_6-31g(d).firefly.inp (generated)

000126154.b3lyp_6-31g(d).smash.inp (generated)

000126154.b3lyp_6-31g(d).nwchem.inp (generated) 000126154.b3lyp_6-31g(d).log.xz 000126154.td-b3lyp_6-31g+(d).inp 000126154.td-b3lyp_6-31g+(d).log.xz

000126154.td-b3lyp_6-31+g(d).qchem.inp (generated)

000126154.td-b3lyp_6-31+g(d).gjf (generated)

000126154.td-b3lyp_6-31+g(d).firefly.inp (generated)

000126154.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000126154.mol 000126154.PUBCHEM 000126154.mol (via Jmol)
000126157.b3lyp_6-31g(d).inp

000126157.b3lyp_6-31g(d).qchem.inp (generated)

000126157.b3lyp_6-31g(d).gjf (generated)

000126157.b3lyp_6-31g(d).firefly.inp (generated)

000126157.b3lyp_6-31g(d).smash.inp (generated)

000126157.b3lyp_6-31g(d).nwchem.inp (generated) 000126157.b3lyp_6-31g(d).log.xz 000126157.td-b3lyp_6-31g+(d).inp 000126157.td-b3lyp_6-31g+(d).log.xz

000126157.td-b3lyp_6-31+g(d).qchem.inp (generated)

000126157.td-b3lyp_6-31+g(d).gjf (generated)

000126157.td-b3lyp_6-31+g(d).firefly.inp (generated)

000126157.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000126157.mol 000126157.PUBCHEM 000126157.mol (via Jmol)
000126167.b3lyp_6-31g(d).inp

000126167.b3lyp_6-31g(d).qchem.inp (generated)

000126167.b3lyp_6-31g(d).gjf (generated)

000126167.b3lyp_6-31g(d).firefly.inp (generated)

000126167.b3lyp_6-31g(d).smash.inp (generated)

000126167.b3lyp_6-31g(d).nwchem.inp (generated) 000126167.b3lyp_6-31g(d).log.xz 000126167.td-b3lyp_6-31g+(d).inp 000126167.td-b3lyp_6-31g+(d).log.xz

000126167.td-b3lyp_6-31+g(d).qchem.inp (generated)

000126167.td-b3lyp_6-31+g(d).gjf (generated)

000126167.td-b3lyp_6-31+g(d).firefly.inp (generated)

000126167.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000126167.mol 000126167.PUBCHEM 000126167.mol (via Jmol)
000126169.b3lyp_6-31g(d).inp

000126169.b3lyp_6-31g(d).qchem.inp (generated)

000126169.b3lyp_6-31g(d).gjf (generated)

000126169.b3lyp_6-31g(d).firefly.inp (generated)

000126169.b3lyp_6-31g(d).smash.inp (generated)

000126169.b3lyp_6-31g(d).nwchem.inp (generated) 000126169.b3lyp_6-31g(d).log.xz 000126169.mol 000126169.PUBCHEM 000126169.mol (via Jmol)
000126170.b3lyp_6-31g(d).inp

000126170.b3lyp_6-31g(d).qchem.inp (generated)

000126170.b3lyp_6-31g(d).gjf (generated)

000126170.b3lyp_6-31g(d).firefly.inp (generated)

000126170.b3lyp_6-31g(d).smash.inp (generated)

000126170.b3lyp_6-31g(d).nwchem.inp (generated) 000126170.b3lyp_6-31g(d).log.xz 000126170.td-b3lyp_6-31g+(d).inp 000126170.td-b3lyp_6-31g+(d).log.xz

000126170.td-b3lyp_6-31+g(d).qchem.inp (generated)

000126170.td-b3lyp_6-31+g(d).gjf (generated)

000126170.td-b3lyp_6-31+g(d).firefly.inp (generated)

000126170.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000126170.mol 000126170.PUBCHEM 000126170.mol (via Jmol)
000126173.b3lyp_6-31g(d).inp

000126173.b3lyp_6-31g(d).qchem.inp (generated)

000126173.b3lyp_6-31g(d).gjf (generated)

000126173.b3lyp_6-31g(d).firefly.inp (generated)

000126173.b3lyp_6-31g(d).smash.inp (generated)

000126173.b3lyp_6-31g(d).nwchem.inp (generated) 000126173.b3lyp_6-31g(d).log.xz 000126173.td-b3lyp_6-31g+(d).inp 000126173.td-b3lyp_6-31g+(d).log.xz

000126173.td-b3lyp_6-31+g(d).qchem.inp (generated)

000126173.td-b3lyp_6-31+g(d).gjf (generated)

000126173.td-b3lyp_6-31+g(d).firefly.inp (generated)

000126173.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000126173.mol 000126173.PUBCHEM 000126173.mol (via Jmol)
000126187.b3lyp_6-31g(d).inp

000126187.b3lyp_6-31g(d).qchem.inp (generated)

000126187.b3lyp_6-31g(d).gjf (generated)

000126187.b3lyp_6-31g(d).firefly.inp (generated)

000126187.b3lyp_6-31g(d).smash.inp (generated)

000126187.b3lyp_6-31g(d).nwchem.inp (generated) 000126187.b3lyp_6-31g(d).log.xz 000126187.td-b3lyp_6-31g+(d).inp 000126187.td-b3lyp_6-31g+(d).log.xz

000126187.td-b3lyp_6-31+g(d).qchem.inp (generated)

000126187.td-b3lyp_6-31+g(d).gjf (generated)

000126187.td-b3lyp_6-31+g(d).firefly.inp (generated)

000126187.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000126187.mol 000126187.PUBCHEM 000126187.mol (via Jmol)
000126191.b3lyp_6-31g(d).inp

000126191.b3lyp_6-31g(d).qchem.inp (generated)

000126191.b3lyp_6-31g(d).gjf (generated)

000126191.b3lyp_6-31g(d).firefly.inp (generated)

000126191.b3lyp_6-31g(d).smash.inp (generated)

000126191.b3lyp_6-31g(d).nwchem.inp (generated) 000126191.b3lyp_6-31g(d).log.xz 000126191.td-b3lyp_6-31g+(d).inp 000126191.td-b3lyp_6-31g+(d).log.xz

000126191.td-b3lyp_6-31+g(d).qchem.inp (generated)

000126191.td-b3lyp_6-31+g(d).gjf (generated)

000126191.td-b3lyp_6-31+g(d).firefly.inp (generated)

000126191.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000126191.mol 000126191.PUBCHEM 000126191.mol (via Jmol)
000126202.b3lyp_6-31g(d).inp

000126202.b3lyp_6-31g(d).qchem.inp (generated)

000126202.b3lyp_6-31g(d).gjf (generated)

000126202.b3lyp_6-31g(d).firefly.inp (generated)

000126202.b3lyp_6-31g(d).smash.inp (generated)

000126202.b3lyp_6-31g(d).nwchem.inp (generated) 000126202.b3lyp_6-31g(d).log.xz 000126202.td-b3lyp_6-31g+(d).inp 000126202.td-b3lyp_6-31g+(d).log.xz

000126202.td-b3lyp_6-31+g(d).qchem.inp (generated)

000126202.td-b3lyp_6-31+g(d).gjf (generated)

000126202.td-b3lyp_6-31+g(d).firefly.inp (generated)

000126202.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000126202.mol 000126202.PUBCHEM 000126202.mol (via Jmol)
000126205.b3lyp_6-31g(d).inp

000126205.b3lyp_6-31g(d).qchem.inp (generated)

000126205.b3lyp_6-31g(d).gjf (generated)

000126205.b3lyp_6-31g(d).firefly.inp (generated)

000126205.b3lyp_6-31g(d).smash.inp (generated)

000126205.b3lyp_6-31g(d).nwchem.inp (generated) 000126205.b3lyp_6-31g(d).log.xz 000126205.td-b3lyp_6-31g+(d).inp 000126205.td-b3lyp_6-31g+(d).log.xz

000126205.td-b3lyp_6-31+g(d).qchem.inp (generated)

000126205.td-b3lyp_6-31+g(d).gjf (generated)

000126205.td-b3lyp_6-31+g(d).firefly.inp (generated)

000126205.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000126205.mol 000126205.PUBCHEM 000126205.mol (via Jmol)
000126218.b3lyp_6-31g(d).inp

000126218.b3lyp_6-31g(d).qchem.inp (generated)

000126218.b3lyp_6-31g(d).gjf (generated)

000126218.b3lyp_6-31g(d).firefly.inp (generated)

000126218.b3lyp_6-31g(d).smash.inp (generated)

000126218.b3lyp_6-31g(d).nwchem.inp (generated) 000126218.b3lyp_6-31g(d).log.xz 000126218.td-b3lyp_6-31g+(d).inp 000126218.td-b3lyp_6-31g+(d).log.xz

000126218.td-b3lyp_6-31+g(d).qchem.inp (generated)

000126218.td-b3lyp_6-31+g(d).gjf (generated)

000126218.td-b3lyp_6-31+g(d).firefly.inp (generated)

000126218.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000126218.mol 000126218.PUBCHEM 000126218.mol (via Jmol)
000126219.b3lyp_6-31g(d).inp

000126219.b3lyp_6-31g(d).qchem.inp (generated)

000126219.b3lyp_6-31g(d).gjf (generated)

000126219.b3lyp_6-31g(d).firefly.inp (generated)

000126219.b3lyp_6-31g(d).smash.inp (generated)

000126219.b3lyp_6-31g(d).nwchem.inp (generated) 000126219.b3lyp_6-31g(d).log.xz 000126219.mol 000126219.PUBCHEM 000126219.mol (via Jmol)
000126228.b3lyp_6-31g(d).inp

000126228.b3lyp_6-31g(d).qchem.inp (generated)

000126228.b3lyp_6-31g(d).gjf (generated)

000126228.b3lyp_6-31g(d).firefly.inp (generated)

000126228.b3lyp_6-31g(d).smash.inp (generated)

000126228.b3lyp_6-31g(d).nwchem.inp (generated) 000126228.b3lyp_6-31g(d).log.xz 000126228.td-b3lyp_6-31g+(d).inp 000126228.td-b3lyp_6-31g+(d).log.xz

000126228.td-b3lyp_6-31+g(d).qchem.inp (generated)

000126228.td-b3lyp_6-31+g(d).gjf (generated)

000126228.td-b3lyp_6-31+g(d).firefly.inp (generated)

000126228.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000126228.mol 000126228.PUBCHEM 000126228.mol (via Jmol)
000126230.b3lyp_6-31g(d).inp

000126230.b3lyp_6-31g(d).qchem.inp (generated)

000126230.b3lyp_6-31g(d).gjf (generated)

000126230.b3lyp_6-31g(d).firefly.inp (generated)

000126230.b3lyp_6-31g(d).smash.inp (generated)

000126230.b3lyp_6-31g(d).nwchem.inp (generated) 000126230.b3lyp_6-31g(d).log.xz 000126230.td-b3lyp_6-31g+(d).inp 000126230.td-b3lyp_6-31g+(d).log.xz

000126230.td-b3lyp_6-31+g(d).qchem.inp (generated)

000126230.td-b3lyp_6-31+g(d).gjf (generated)

000126230.td-b3lyp_6-31+g(d).firefly.inp (generated)

000126230.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000126230.mol 000126230.PUBCHEM 000126230.mol (via Jmol)
000126233.b3lyp_6-31g(d).inp

000126233.b3lyp_6-31g(d).qchem.inp (generated)

000126233.b3lyp_6-31g(d).gjf (generated)

000126233.b3lyp_6-31g(d).firefly.inp (generated)

000126233.b3lyp_6-31g(d).smash.inp (generated)

000126233.b3lyp_6-31g(d).nwchem.inp (generated) 000126233.b3lyp_6-31g(d).log.xz 000126233.td-b3lyp_6-31g+(d).inp 000126233.td-b3lyp_6-31g+(d).log.xz

000126233.td-b3lyp_6-31+g(d).qchem.inp (generated)

000126233.td-b3lyp_6-31+g(d).gjf (generated)

000126233.td-b3lyp_6-31+g(d).firefly.inp (generated)

000126233.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000126233.mol 000126233.PUBCHEM 000126233.mol (via Jmol)
000126234.b3lyp_6-31g(d).inp

000126234.b3lyp_6-31g(d).qchem.inp (generated)

000126234.b3lyp_6-31g(d).gjf (generated)

000126234.b3lyp_6-31g(d).firefly.inp (generated)

000126234.b3lyp_6-31g(d).smash.inp (generated)

000126234.b3lyp_6-31g(d).nwchem.inp (generated) 000126234.b3lyp_6-31g(d).log.xz 000126234.td-b3lyp_6-31g+(d).inp 000126234.td-b3lyp_6-31g+(d).log.xz

000126234.td-b3lyp_6-31+g(d).qchem.inp (generated)

000126234.td-b3lyp_6-31+g(d).gjf (generated)

000126234.td-b3lyp_6-31+g(d).firefly.inp (generated)

000126234.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000126234.mol 000126234.PUBCHEM 000126234.mol (via Jmol)
000126247.b3lyp_6-31g(d).inp

000126247.b3lyp_6-31g(d).qchem.inp (generated)

000126247.b3lyp_6-31g(d).gjf (generated)

000126247.b3lyp_6-31g(d).firefly.inp (generated)

000126247.b3lyp_6-31g(d).smash.inp (generated)

000126247.b3lyp_6-31g(d).nwchem.inp (generated) 000126247.b3lyp_6-31g(d).log.xz 000126247.mol 000126247.PUBCHEM 000126247.mol (via Jmol)
000126252.b3lyp_6-31g(d).inp

000126252.b3lyp_6-31g(d).qchem.inp (generated)

000126252.b3lyp_6-31g(d).gjf (generated)

000126252.b3lyp_6-31g(d).firefly.inp (generated)

000126252.b3lyp_6-31g(d).smash.inp (generated)

000126252.b3lyp_6-31g(d).nwchem.inp (generated) 000126252.b3lyp_6-31g(d).log.xz 000126252.td-b3lyp_6-31g+(d).inp 000126252.td-b3lyp_6-31g+(d).log.xz

000126252.td-b3lyp_6-31+g(d).qchem.inp (generated)

000126252.td-b3lyp_6-31+g(d).gjf (generated)

000126252.td-b3lyp_6-31+g(d).firefly.inp (generated)

000126252.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000126252.mol 000126252.PUBCHEM 000126252.mol (via Jmol)
000126254.b3lyp_6-31g(d).inp

000126254.b3lyp_6-31g(d).qchem.inp (generated)

000126254.b3lyp_6-31g(d).gjf (generated)

000126254.b3lyp_6-31g(d).firefly.inp (generated)

000126254.b3lyp_6-31g(d).smash.inp (generated)

000126254.b3lyp_6-31g(d).nwchem.inp (generated) 000126254.b3lyp_6-31g(d).log.xz 000126254.td-b3lyp_6-31g+(d).inp 000126254.td-b3lyp_6-31g+(d).log.xz

000126254.td-b3lyp_6-31+g(d).qchem.inp (generated)

000126254.td-b3lyp_6-31+g(d).gjf (generated)

000126254.td-b3lyp_6-31+g(d).firefly.inp (generated)

000126254.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000126254.mol 000126254.PUBCHEM 000126254.mol (via Jmol)
000126266.b3lyp_6-31g(d).inp

000126266.b3lyp_6-31g(d).qchem.inp (generated)

000126266.b3lyp_6-31g(d).gjf (generated)

000126266.b3lyp_6-31g(d).firefly.inp (generated)

000126266.b3lyp_6-31g(d).smash.inp (generated)

000126266.b3lyp_6-31g(d).nwchem.inp (generated) 000126266.b3lyp_6-31g(d).log.xz 000126266.td-b3lyp_6-31g+(d).inp 000126266.td-b3lyp_6-31g+(d).log.xz

000126266.td-b3lyp_6-31+g(d).qchem.inp (generated)

000126266.td-b3lyp_6-31+g(d).gjf (generated)

000126266.td-b3lyp_6-31+g(d).firefly.inp (generated)

000126266.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000126266.mol 000126266.PUBCHEM 000126266.mol (via Jmol)
000126295.b3lyp_6-31g(d).inp

000126295.b3lyp_6-31g(d).qchem.inp (generated)

000126295.b3lyp_6-31g(d).gjf (generated)

000126295.b3lyp_6-31g(d).firefly.inp (generated)

000126295.b3lyp_6-31g(d).smash.inp (generated)

000126295.b3lyp_6-31g(d).nwchem.inp (generated) 000126295.b3lyp_6-31g(d).log.xz 000126295.td-b3lyp_6-31g+(d).inp 000126295.td-b3lyp_6-31g+(d).log.xz

000126295.td-b3lyp_6-31+g(d).qchem.inp (generated)

000126295.td-b3lyp_6-31+g(d).gjf (generated)

000126295.td-b3lyp_6-31+g(d).firefly.inp (generated)

000126295.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000126295.mol 000126295.PUBCHEM 000126295.mol (via Jmol)
000126307.b3lyp_6-31g(d).inp

000126307.b3lyp_6-31g(d).qchem.inp (generated)

000126307.b3lyp_6-31g(d).gjf (generated)

000126307.b3lyp_6-31g(d).firefly.inp (generated)

000126307.b3lyp_6-31g(d).smash.inp (generated)

000126307.b3lyp_6-31g(d).nwchem.inp (generated) 000126307.b3lyp_6-31g(d).log.xz 000126307.mol 000126307.PUBCHEM 000126307.mol (via Jmol)
000126335.b3lyp_6-31g(d).inp

000126335.b3lyp_6-31g(d).qchem.inp (generated)

000126335.b3lyp_6-31g(d).gjf (generated)

000126335.b3lyp_6-31g(d).firefly.inp (generated)

000126335.b3lyp_6-31g(d).smash.inp (generated)

000126335.b3lyp_6-31g(d).nwchem.inp (generated) 000126335.b3lyp_6-31g(d).log.xz 000126335.td-b3lyp_6-31g+(d).inp 000126335.td-b3lyp_6-31g+(d).log.xz

000126335.td-b3lyp_6-31+g(d).qchem.inp (generated)

000126335.td-b3lyp_6-31+g(d).gjf (generated)

000126335.td-b3lyp_6-31+g(d).firefly.inp (generated)

000126335.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000126335.mol 000126335.PUBCHEM 000126335.mol (via Jmol)
000126344.b3lyp_6-31g(d).inp

000126344.b3lyp_6-31g(d).qchem.inp (generated)

000126344.b3lyp_6-31g(d).gjf (generated)

000126344.b3lyp_6-31g(d).firefly.inp (generated)

000126344.b3lyp_6-31g(d).smash.inp (generated)

000126344.b3lyp_6-31g(d).nwchem.inp (generated) 000126344.b3lyp_6-31g(d).log.xz 000126344.td-b3lyp_6-31g+(d).inp 000126344.td-b3lyp_6-31g+(d).log.xz

000126344.td-b3lyp_6-31+g(d).qchem.inp (generated)

000126344.td-b3lyp_6-31+g(d).gjf (generated)

000126344.td-b3lyp_6-31+g(d).firefly.inp (generated)

000126344.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000126344.mol 000126344.PUBCHEM 000126344.mol (via Jmol)
000126347.b3lyp_6-31g(d).inp

000126347.b3lyp_6-31g(d).qchem.inp (generated)

000126347.b3lyp_6-31g(d).gjf (generated)

000126347.b3lyp_6-31g(d).firefly.inp (generated)

000126347.b3lyp_6-31g(d).smash.inp (generated)

000126347.b3lyp_6-31g(d).nwchem.inp (generated) 000126347.b3lyp_6-31g(d).log.xz 000126347.td-b3lyp_6-31g+(d).inp 000126347.td-b3lyp_6-31g+(d).log.xz

000126347.td-b3lyp_6-31+g(d).qchem.inp (generated)

000126347.td-b3lyp_6-31+g(d).gjf (generated)

000126347.td-b3lyp_6-31+g(d).firefly.inp (generated)

000126347.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000126347.mol 000126347.PUBCHEM 000126347.mol (via Jmol)
000126354.b3lyp_6-31g(d).inp

000126354.b3lyp_6-31g(d).qchem.inp (generated)

000126354.b3lyp_6-31g(d).gjf (generated)

000126354.b3lyp_6-31g(d).firefly.inp (generated)

000126354.b3lyp_6-31g(d).smash.inp (generated)

000126354.b3lyp_6-31g(d).nwchem.inp (generated) 000126354.b3lyp_6-31g(d).log.xz 000126354.td-b3lyp_6-31g+(d).inp 000126354.td-b3lyp_6-31g+(d).log.xz

000126354.td-b3lyp_6-31+g(d).qchem.inp (generated)

000126354.td-b3lyp_6-31+g(d).gjf (generated)

000126354.td-b3lyp_6-31+g(d).firefly.inp (generated)

000126354.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000126354.mol 000126354.PUBCHEM 000126354.mol (via Jmol)
000126356.b3lyp_6-31g(d).inp

000126356.b3lyp_6-31g(d).qchem.inp (generated)

000126356.b3lyp_6-31g(d).gjf (generated)

000126356.b3lyp_6-31g(d).firefly.inp (generated)

000126356.b3lyp_6-31g(d).smash.inp (generated)

000126356.b3lyp_6-31g(d).nwchem.inp (generated) 000126356.b3lyp_6-31g(d).log.xz 000126356.td-b3lyp_6-31g+(d).inp 000126356.td-b3lyp_6-31g+(d).log.xz

000126356.td-b3lyp_6-31+g(d).qchem.inp (generated)

000126356.td-b3lyp_6-31+g(d).gjf (generated)

000126356.td-b3lyp_6-31+g(d).firefly.inp (generated)

000126356.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000126356.mol 000126356.PUBCHEM 000126356.mol (via Jmol)
000126383.b3lyp_6-31g(d).inp

000126383.b3lyp_6-31g(d).qchem.inp (generated)

000126383.b3lyp_6-31g(d).gjf (generated)

000126383.b3lyp_6-31g(d).firefly.inp (generated)

000126383.b3lyp_6-31g(d).smash.inp (generated)

000126383.b3lyp_6-31g(d).nwchem.inp (generated) 000126383.b3lyp_6-31g(d).log.xz 000126383.td-b3lyp_6-31g+(d).inp 000126383.td-b3lyp_6-31g+(d).log.xz

000126383.td-b3lyp_6-31+g(d).qchem.inp (generated)

000126383.td-b3lyp_6-31+g(d).gjf (generated)

000126383.td-b3lyp_6-31+g(d).firefly.inp (generated)

000126383.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000126383.mol 000126383.PUBCHEM 000126383.mol (via Jmol)
000126387.b3lyp_6-31g(d).inp

000126387.b3lyp_6-31g(d).qchem.inp (generated)

000126387.b3lyp_6-31g(d).gjf (generated)

000126387.b3lyp_6-31g(d).firefly.inp (generated)

000126387.b3lyp_6-31g(d).smash.inp (generated)

000126387.b3lyp_6-31g(d).nwchem.inp (generated) 000126387.b3lyp_6-31g(d).log.xz 000126387.td-b3lyp_6-31g+(d).inp 000126387.td-b3lyp_6-31g+(d).log.xz

000126387.td-b3lyp_6-31+g(d).qchem.inp (generated)

000126387.td-b3lyp_6-31+g(d).gjf (generated)

000126387.td-b3lyp_6-31+g(d).firefly.inp (generated)

000126387.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000126387.mol 000126387.PUBCHEM 000126387.mol (via Jmol)
000126397.b3lyp_6-31g(d).inp

000126397.b3lyp_6-31g(d).qchem.inp (generated)

000126397.b3lyp_6-31g(d).gjf (generated)

000126397.b3lyp_6-31g(d).firefly.inp (generated)

000126397.b3lyp_6-31g(d).smash.inp (generated)

000126397.b3lyp_6-31g(d).nwchem.inp (generated) 000126397.b3lyp_6-31g(d).log.xz 000126397.mol 000126397.PUBCHEM 000126397.mol (via Jmol)
000126398.b3lyp_6-31g(d).inp

000126398.b3lyp_6-31g(d).qchem.inp (generated)

000126398.b3lyp_6-31g(d).gjf (generated)

000126398.b3lyp_6-31g(d).firefly.inp (generated)

000126398.b3lyp_6-31g(d).smash.inp (generated)

000126398.b3lyp_6-31g(d).nwchem.inp (generated) 000126398.b3lyp_6-31g(d).log.xz 000126398.td-b3lyp_6-31g+(d).inp 000126398.td-b3lyp_6-31g+(d).log.xz

000126398.td-b3lyp_6-31+g(d).qchem.inp (generated)

000126398.td-b3lyp_6-31+g(d).gjf (generated)

000126398.td-b3lyp_6-31+g(d).firefly.inp (generated)

000126398.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000126398.mol 000126398.PUBCHEM 000126398.mol (via Jmol)
000126403.b3lyp_6-31g(d).inp

000126403.b3lyp_6-31g(d).qchem.inp (generated)

000126403.b3lyp_6-31g(d).gjf (generated)

000126403.b3lyp_6-31g(d).firefly.inp (generated)

000126403.b3lyp_6-31g(d).smash.inp (generated)

000126403.b3lyp_6-31g(d).nwchem.inp (generated) 000126403.b3lyp_6-31g(d).log.xz 000126403.td-b3lyp_6-31g+(d).inp 000126403.td-b3lyp_6-31g+(d).log.xz

000126403.td-b3lyp_6-31+g(d).qchem.inp (generated)

000126403.td-b3lyp_6-31+g(d).gjf (generated)

000126403.td-b3lyp_6-31+g(d).firefly.inp (generated)

000126403.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000126403.mol 000126403.PUBCHEM 000126403.mol (via Jmol)
000126411.b3lyp_6-31g(d).inp

000126411.b3lyp_6-31g(d).qchem.inp (generated)

000126411.b3lyp_6-31g(d).gjf (generated)

000126411.b3lyp_6-31g(d).firefly.inp (generated)

000126411.b3lyp_6-31g(d).smash.inp (generated)

000126411.b3lyp_6-31g(d).nwchem.inp (generated) 000126411.b3lyp_6-31g(d).log.xz 000126411.td-b3lyp_6-31g+(d).inp 000126411.td-b3lyp_6-31g+(d).log.xz

000126411.td-b3lyp_6-31+g(d).qchem.inp (generated)

000126411.td-b3lyp_6-31+g(d).gjf (generated)

000126411.td-b3lyp_6-31+g(d).firefly.inp (generated)

000126411.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000126411.mol 000126411.PUBCHEM 000126411.mol (via Jmol)
000126431.b3lyp_6-31g(d).inp

000126431.b3lyp_6-31g(d).qchem.inp (generated)

000126431.b3lyp_6-31g(d).gjf (generated)

000126431.b3lyp_6-31g(d).firefly.inp (generated)

000126431.b3lyp_6-31g(d).smash.inp (generated)

000126431.b3lyp_6-31g(d).nwchem.inp (generated) 000126431.b3lyp_6-31g(d).log.xz 000126431.td-b3lyp_6-31g+(d).inp 000126431.td-b3lyp_6-31g+(d).log.xz

000126431.td-b3lyp_6-31+g(d).qchem.inp (generated)

000126431.td-b3lyp_6-31+g(d).gjf (generated)

000126431.td-b3lyp_6-31+g(d).firefly.inp (generated)

000126431.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000126431.mol 000126431.PUBCHEM 000126431.mol (via Jmol)
000126434.b3lyp_6-31g(d).inp

000126434.b3lyp_6-31g(d).qchem.inp (generated)

000126434.b3lyp_6-31g(d).gjf (generated)

000126434.b3lyp_6-31g(d).firefly.inp (generated)

000126434.b3lyp_6-31g(d).smash.inp (generated)

000126434.b3lyp_6-31g(d).nwchem.inp (generated) 000126434.b3lyp_6-31g(d).log.xz 000126434.td-b3lyp_6-31g+(d).inp 000126434.td-b3lyp_6-31g+(d).log.xz

000126434.td-b3lyp_6-31+g(d).qchem.inp (generated)

000126434.td-b3lyp_6-31+g(d).gjf (generated)

000126434.td-b3lyp_6-31+g(d).firefly.inp (generated)

000126434.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000126434.mol 000126434.PUBCHEM 000126434.mol (via Jmol)
000126435.b3lyp_6-31g(d).inp

000126435.b3lyp_6-31g(d).qchem.inp (generated)

000126435.b3lyp_6-31g(d).gjf (generated)

000126435.b3lyp_6-31g(d).firefly.inp (generated)

000126435.b3lyp_6-31g(d).smash.inp (generated)

000126435.b3lyp_6-31g(d).nwchem.inp (generated) 000126435.b3lyp_6-31g(d).log.xz 000126435.td-b3lyp_6-31g+(d).inp 000126435.td-b3lyp_6-31g+(d).log.xz

000126435.td-b3lyp_6-31+g(d).qchem.inp (generated)

000126435.td-b3lyp_6-31+g(d).gjf (generated)

000126435.td-b3lyp_6-31+g(d).firefly.inp (generated)

000126435.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000126435.mol 000126435.PUBCHEM 000126435.mol (via Jmol)
000126446.b3lyp_6-31g(d).inp

000126446.b3lyp_6-31g(d).qchem.inp (generated)

000126446.b3lyp_6-31g(d).gjf (generated)

000126446.b3lyp_6-31g(d).firefly.inp (generated)

000126446.b3lyp_6-31g(d).smash.inp (generated)

000126446.b3lyp_6-31g(d).nwchem.inp (generated) 000126446.b3lyp_6-31g(d).log.xz 000126446.td-b3lyp_6-31g+(d).inp 000126446.td-b3lyp_6-31g+(d).log.xz

000126446.td-b3lyp_6-31+g(d).qchem.inp (generated)

000126446.td-b3lyp_6-31+g(d).gjf (generated)

000126446.td-b3lyp_6-31+g(d).firefly.inp (generated)

000126446.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000126446.mol 000126446.PUBCHEM 000126446.mol (via Jmol)
000126465.b3lyp_6-31g(d).inp

000126465.b3lyp_6-31g(d).qchem.inp (generated)

000126465.b3lyp_6-31g(d).gjf (generated)

000126465.b3lyp_6-31g(d).firefly.inp (generated)

000126465.b3lyp_6-31g(d).smash.inp (generated)

000126465.b3lyp_6-31g(d).nwchem.inp (generated) 000126465.b3lyp_6-31g(d).log.xz 000126465.td-b3lyp_6-31g+(d).inp 000126465.td-b3lyp_6-31g+(d).log.xz

000126465.td-b3lyp_6-31+g(d).qchem.inp (generated)

000126465.td-b3lyp_6-31+g(d).gjf (generated)

000126465.td-b3lyp_6-31+g(d).firefly.inp (generated)

000126465.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000126465.mol 000126465.PUBCHEM 000126465.mol (via Jmol)
000126468.b3lyp_6-31g(d).inp

000126468.b3lyp_6-31g(d).qchem.inp (generated)

000126468.b3lyp_6-31g(d).gjf (generated)

000126468.b3lyp_6-31g(d).firefly.inp (generated)

000126468.b3lyp_6-31g(d).smash.inp (generated)

000126468.b3lyp_6-31g(d).nwchem.inp (generated) 000126468.b3lyp_6-31g(d).log.xz 000126468.mol 000126468.PUBCHEM 000126468.mol (via Jmol)
000126481.b3lyp_6-31g(d).inp

000126481.b3lyp_6-31g(d).qchem.inp (generated)

000126481.b3lyp_6-31g(d).gjf (generated)

000126481.b3lyp_6-31g(d).firefly.inp (generated)

000126481.b3lyp_6-31g(d).smash.inp (generated)

000126481.b3lyp_6-31g(d).nwchem.inp (generated) 000126481.b3lyp_6-31g(d).log.xz 000126481.td-b3lyp_6-31g+(d).inp 000126481.td-b3lyp_6-31g+(d).log.xz

000126481.td-b3lyp_6-31+g(d).qchem.inp (generated)

000126481.td-b3lyp_6-31+g(d).gjf (generated)

000126481.td-b3lyp_6-31+g(d).firefly.inp (generated)

000126481.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000126481.mol 000126481.PUBCHEM 000126481.mol (via Jmol)
000126483.b3lyp_6-31g(d).inp

000126483.b3lyp_6-31g(d).qchem.inp (generated)

000126483.b3lyp_6-31g(d).gjf (generated)

000126483.b3lyp_6-31g(d).firefly.inp (generated)

000126483.b3lyp_6-31g(d).smash.inp (generated)

000126483.b3lyp_6-31g(d).nwchem.inp (generated) 000126483.b3lyp_6-31g(d).log.xz 000126483.td-b3lyp_6-31g+(d).inp 000126483.td-b3lyp_6-31g+(d).log.xz

000126483.td-b3lyp_6-31+g(d).qchem.inp (generated)

000126483.td-b3lyp_6-31+g(d).gjf (generated)

000126483.td-b3lyp_6-31+g(d).firefly.inp (generated)

000126483.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000126483.mol 000126483.PUBCHEM 000126483.mol (via Jmol)
000126485.b3lyp_6-31g(d).inp

000126485.b3lyp_6-31g(d).qchem.inp (generated)

000126485.b3lyp_6-31g(d).gjf (generated)

000126485.b3lyp_6-31g(d).firefly.inp (generated)

000126485.b3lyp_6-31g(d).smash.inp (generated)

000126485.b3lyp_6-31g(d).nwchem.inp (generated) 000126485.b3lyp_6-31g(d).log.xz 000126485.td-b3lyp_6-31g+(d).inp 000126485.td-b3lyp_6-31g+(d).log.xz

000126485.td-b3lyp_6-31+g(d).qchem.inp (generated)

000126485.td-b3lyp_6-31+g(d).gjf (generated)

000126485.td-b3lyp_6-31+g(d).firefly.inp (generated)

000126485.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000126485.mol 000126485.PUBCHEM 000126485.mol (via Jmol)
000126494.b3lyp_6-31g(d).inp

000126494.b3lyp_6-31g(d).qchem.inp (generated)

000126494.b3lyp_6-31g(d).gjf (generated)

000126494.b3lyp_6-31g(d).firefly.inp (generated)

000126494.b3lyp_6-31g(d).smash.inp (generated)

000126494.b3lyp_6-31g(d).nwchem.inp (generated) 000126494.b3lyp_6-31g(d).log.xz 000126494.td-b3lyp_6-31g+(d).inp 000126494.td-b3lyp_6-31g+(d).log.xz

000126494.td-b3lyp_6-31+g(d).qchem.inp (generated)

000126494.td-b3lyp_6-31+g(d).gjf (generated)

000126494.td-b3lyp_6-31+g(d).firefly.inp (generated)

000126494.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000126494.mol 000126494.PUBCHEM 000126494.mol (via Jmol)
000126497.b3lyp_6-31g(d).inp

000126497.b3lyp_6-31g(d).qchem.inp (generated)

000126497.b3lyp_6-31g(d).gjf (generated)

000126497.b3lyp_6-31g(d).firefly.inp (generated)

000126497.b3lyp_6-31g(d).smash.inp (generated)

000126497.b3lyp_6-31g(d).nwchem.inp (generated) 000126497.b3lyp_6-31g(d).log.xz 000126497.td-b3lyp_6-31g+(d).inp 000126497.td-b3lyp_6-31g+(d).log.xz

000126497.td-b3lyp_6-31+g(d).qchem.inp (generated)

000126497.td-b3lyp_6-31+g(d).gjf (generated)

000126497.td-b3lyp_6-31+g(d).firefly.inp (generated)

000126497.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000126497.mol 000126497.PUBCHEM 000126497.mol (via Jmol)
000126503.b3lyp_6-31g(d).inp

000126503.b3lyp_6-31g(d).qchem.inp (generated)

000126503.b3lyp_6-31g(d).gjf (generated)

000126503.b3lyp_6-31g(d).firefly.inp (generated)

000126503.b3lyp_6-31g(d).smash.inp (generated)

000126503.b3lyp_6-31g(d).nwchem.inp (generated) 000126503.b3lyp_6-31g(d).log.xz 000126503.td-b3lyp_6-31g+(d).inp 000126503.td-b3lyp_6-31g+(d).log.xz

000126503.td-b3lyp_6-31+g(d).qchem.inp (generated)

000126503.td-b3lyp_6-31+g(d).gjf (generated)

000126503.td-b3lyp_6-31+g(d).firefly.inp (generated)

000126503.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000126503.mol 000126503.PUBCHEM 000126503.mol (via Jmol)
000126512.b3lyp_6-31g(d).inp

000126512.b3lyp_6-31g(d).qchem.inp (generated)

000126512.b3lyp_6-31g(d).gjf (generated)

000126512.b3lyp_6-31g(d).firefly.inp (generated)

000126512.b3lyp_6-31g(d).smash.inp (generated)

000126512.b3lyp_6-31g(d).nwchem.inp (generated) 000126512.b3lyp_6-31g(d).log.xz 000126512.td-b3lyp_6-31g+(d).inp 000126512.td-b3lyp_6-31g+(d).log.xz

000126512.td-b3lyp_6-31+g(d).qchem.inp (generated)

000126512.td-b3lyp_6-31+g(d).gjf (generated)

000126512.td-b3lyp_6-31+g(d).firefly.inp (generated)

000126512.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000126512.mol 000126512.PUBCHEM 000126512.mol (via Jmol)
000126513.b3lyp_6-31g(d).inp

000126513.b3lyp_6-31g(d).qchem.inp (generated)

000126513.b3lyp_6-31g(d).gjf (generated)

000126513.b3lyp_6-31g(d).firefly.inp (generated)

000126513.b3lyp_6-31g(d).smash.inp (generated)

000126513.b3lyp_6-31g(d).nwchem.inp (generated) 000126513.b3lyp_6-31g(d).log.xz 000126513.td-b3lyp_6-31g+(d).inp 000126513.td-b3lyp_6-31g+(d).log.xz

000126513.td-b3lyp_6-31+g(d).qchem.inp (generated)

000126513.td-b3lyp_6-31+g(d).gjf (generated)

000126513.td-b3lyp_6-31+g(d).firefly.inp (generated)

000126513.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000126513.mol 000126513.PUBCHEM 000126513.mol (via Jmol)
000126516.b3lyp_6-31g(d).inp

000126516.b3lyp_6-31g(d).qchem.inp (generated)

000126516.b3lyp_6-31g(d).gjf (generated)

000126516.b3lyp_6-31g(d).firefly.inp (generated)

000126516.b3lyp_6-31g(d).smash.inp (generated)

000126516.b3lyp_6-31g(d).nwchem.inp (generated) 000126516.b3lyp_6-31g(d).log.xz 000126516.td-b3lyp_6-31g+(d).inp 000126516.td-b3lyp_6-31g+(d).log.xz

000126516.td-b3lyp_6-31+g(d).qchem.inp (generated)

000126516.td-b3lyp_6-31+g(d).gjf (generated)

000126516.td-b3lyp_6-31+g(d).firefly.inp (generated)

000126516.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000126516.mol 000126516.PUBCHEM 000126516.mol (via Jmol)
000126517.b3lyp_6-31g(d).inp

000126517.b3lyp_6-31g(d).qchem.inp (generated)

000126517.b3lyp_6-31g(d).gjf (generated)

000126517.b3lyp_6-31g(d).firefly.inp (generated)

000126517.b3lyp_6-31g(d).smash.inp (generated)

000126517.b3lyp_6-31g(d).nwchem.inp (generated) 000126517.b3lyp_6-31g(d).log.xz 000126517.td-b3lyp_6-31g+(d).inp 000126517.td-b3lyp_6-31g+(d).log.xz

000126517.td-b3lyp_6-31+g(d).qchem.inp (generated)

000126517.td-b3lyp_6-31+g(d).gjf (generated)

000126517.td-b3lyp_6-31+g(d).firefly.inp (generated)

000126517.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000126517.mol 000126517.PUBCHEM 000126517.mol (via Jmol)
000126526.b3lyp_6-31g(d).inp

000126526.b3lyp_6-31g(d).qchem.inp (generated)

000126526.b3lyp_6-31g(d).gjf (generated)

000126526.b3lyp_6-31g(d).firefly.inp (generated)

000126526.b3lyp_6-31g(d).smash.inp (generated)

000126526.b3lyp_6-31g(d).nwchem.inp (generated) 000126526.b3lyp_6-31g(d).log.xz 000126526.td-b3lyp_6-31g+(d).inp 000126526.td-b3lyp_6-31g+(d).log.xz

000126526.td-b3lyp_6-31+g(d).qchem.inp (generated)

000126526.td-b3lyp_6-31+g(d).gjf (generated)

000126526.td-b3lyp_6-31+g(d).firefly.inp (generated)

000126526.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000126526.mol 000126526.PUBCHEM 000126526.mol (via Jmol)
000126531.b3lyp_6-31g(d).inp

000126531.b3lyp_6-31g(d).qchem.inp (generated)

000126531.b3lyp_6-31g(d).gjf (generated)

000126531.b3lyp_6-31g(d).firefly.inp (generated)

000126531.b3lyp_6-31g(d).smash.inp (generated)

000126531.b3lyp_6-31g(d).nwchem.inp (generated) 000126531.b3lyp_6-31g(d).log.xz 000126531.mol 000126531.PUBCHEM 000126531.mol (via Jmol)
000126536.b3lyp_6-31g(d).inp

000126536.b3lyp_6-31g(d).qchem.inp (generated)

000126536.b3lyp_6-31g(d).gjf (generated)

000126536.b3lyp_6-31g(d).firefly.inp (generated)

000126536.b3lyp_6-31g(d).smash.inp (generated)

000126536.b3lyp_6-31g(d).nwchem.inp (generated) 000126536.b3lyp_6-31g(d).log.xz 000126536.td-b3lyp_6-31g+(d).inp 000126536.td-b3lyp_6-31g+(d).log.xz

000126536.td-b3lyp_6-31+g(d).qchem.inp (generated)

000126536.td-b3lyp_6-31+g(d).gjf (generated)

000126536.td-b3lyp_6-31+g(d).firefly.inp (generated)

000126536.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000126536.mol 000126536.PUBCHEM 000126536.mol (via Jmol)
000126537.b3lyp_6-31g(d).inp

000126537.b3lyp_6-31g(d).qchem.inp (generated)

000126537.b3lyp_6-31g(d).gjf (generated)

000126537.b3lyp_6-31g(d).firefly.inp (generated)

000126537.b3lyp_6-31g(d).smash.inp (generated)

000126537.b3lyp_6-31g(d).nwchem.inp (generated) 000126537.b3lyp_6-31g(d).log.xz 000126537.td-b3lyp_6-31g+(d).inp 000126537.td-b3lyp_6-31g+(d).log.xz

000126537.td-b3lyp_6-31+g(d).qchem.inp (generated)

000126537.td-b3lyp_6-31+g(d).gjf (generated)

000126537.td-b3lyp_6-31+g(d).firefly.inp (generated)

000126537.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000126537.mol 000126537.PUBCHEM 000126537.mol (via Jmol)
000126542.b3lyp_6-31g(d).inp

000126542.b3lyp_6-31g(d).qchem.inp (generated)

000126542.b3lyp_6-31g(d).gjf (generated)

000126542.b3lyp_6-31g(d).firefly.inp (generated)

000126542.b3lyp_6-31g(d).smash.inp (generated)

000126542.b3lyp_6-31g(d).nwchem.inp (generated) 000126542.b3lyp_6-31g(d).log.xz 000126542.td-b3lyp_6-31g+(d).inp 000126542.td-b3lyp_6-31g+(d).log.xz

000126542.td-b3lyp_6-31+g(d).qchem.inp (generated)

000126542.td-b3lyp_6-31+g(d).gjf (generated)

000126542.td-b3lyp_6-31+g(d).firefly.inp (generated)

000126542.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000126542.mol 000126542.PUBCHEM 000126542.mol (via Jmol)
000126548.b3lyp_6-31g(d).inp

000126548.b3lyp_6-31g(d).qchem.inp (generated)

000126548.b3lyp_6-31g(d).gjf (generated)

000126548.b3lyp_6-31g(d).firefly.inp (generated)

000126548.b3lyp_6-31g(d).smash.inp (generated)

000126548.b3lyp_6-31g(d).nwchem.inp (generated) 000126548.b3lyp_6-31g(d).log.xz 000126548.mol 000126548.PUBCHEM 000126548.mol (via Jmol)
000126555.b3lyp_6-31g(d).inp

000126555.b3lyp_6-31g(d).qchem.inp (generated)

000126555.b3lyp_6-31g(d).gjf (generated)

000126555.b3lyp_6-31g(d).firefly.inp (generated)

000126555.b3lyp_6-31g(d).smash.inp (generated)

000126555.b3lyp_6-31g(d).nwchem.inp (generated) 000126555.b3lyp_6-31g(d).log.xz 000126555.td-b3lyp_6-31g+(d).inp 000126555.td-b3lyp_6-31g+(d).log.xz

000126555.td-b3lyp_6-31+g(d).qchem.inp (generated)

000126555.td-b3lyp_6-31+g(d).gjf (generated)

000126555.td-b3lyp_6-31+g(d).firefly.inp (generated)

000126555.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000126555.mol 000126555.PUBCHEM 000126555.mol (via Jmol)
000126559.b3lyp_6-31g(d).inp

000126559.b3lyp_6-31g(d).qchem.inp (generated)

000126559.b3lyp_6-31g(d).gjf (generated)

000126559.b3lyp_6-31g(d).firefly.inp (generated)

000126559.b3lyp_6-31g(d).smash.inp (generated)

000126559.b3lyp_6-31g(d).nwchem.inp (generated) 000126559.b3lyp_6-31g(d).log.xz 000126559.td-b3lyp_6-31g+(d).inp 000126559.td-b3lyp_6-31g+(d).log.xz

000126559.td-b3lyp_6-31+g(d).qchem.inp (generated)

000126559.td-b3lyp_6-31+g(d).gjf (generated)

000126559.td-b3lyp_6-31+g(d).firefly.inp (generated)

000126559.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000126559.mol 000126559.PUBCHEM 000126559.mol (via Jmol)
000126560.b3lyp_6-31g(d).inp

000126560.b3lyp_6-31g(d).qchem.inp (generated)

000126560.b3lyp_6-31g(d).gjf (generated)

000126560.b3lyp_6-31g(d).firefly.inp (generated)

000126560.b3lyp_6-31g(d).smash.inp (generated)

000126560.b3lyp_6-31g(d).nwchem.inp (generated) 000126560.b3lyp_6-31g(d).log.xz 000126560.mol 000126560.PUBCHEM 000126560.mol (via Jmol)
000126569.b3lyp_6-31g(d).inp

000126569.b3lyp_6-31g(d).qchem.inp (generated)

000126569.b3lyp_6-31g(d).gjf (generated)

000126569.b3lyp_6-31g(d).firefly.inp (generated)

000126569.b3lyp_6-31g(d).smash.inp (generated)

000126569.b3lyp_6-31g(d).nwchem.inp (generated) 000126569.b3lyp_6-31g(d).log.xz 000126569.td-b3lyp_6-31g+(d).inp 000126569.td-b3lyp_6-31g+(d).log.xz

000126569.td-b3lyp_6-31+g(d).qchem.inp (generated)

000126569.td-b3lyp_6-31+g(d).gjf (generated)

000126569.td-b3lyp_6-31+g(d).firefly.inp (generated)

000126569.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000126569.mol 000126569.PUBCHEM 000126569.mol (via Jmol)
000126572.b3lyp_6-31g(d).inp

000126572.b3lyp_6-31g(d).qchem.inp (generated)

000126572.b3lyp_6-31g(d).gjf (generated)

000126572.b3lyp_6-31g(d).firefly.inp (generated)

000126572.b3lyp_6-31g(d).smash.inp (generated)

000126572.b3lyp_6-31g(d).nwchem.inp (generated) 000126572.b3lyp_6-31g(d).log.xz 000126572.td-b3lyp_6-31g+(d).inp 000126572.td-b3lyp_6-31g+(d).log.xz

000126572.td-b3lyp_6-31+g(d).qchem.inp (generated)

000126572.td-b3lyp_6-31+g(d).gjf (generated)

000126572.td-b3lyp_6-31+g(d).firefly.inp (generated)

000126572.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000126572.mol 000126572.PUBCHEM 000126572.mol (via Jmol)
000126580.b3lyp_6-31g(d).inp

000126580.b3lyp_6-31g(d).qchem.inp (generated)

000126580.b3lyp_6-31g(d).gjf (generated)

000126580.b3lyp_6-31g(d).firefly.inp (generated)

000126580.b3lyp_6-31g(d).smash.inp (generated)

000126580.b3lyp_6-31g(d).nwchem.inp (generated) 000126580.b3lyp_6-31g(d).log.xz 000126580.td-b3lyp_6-31g+(d).inp 000126580.td-b3lyp_6-31g+(d).log.xz

000126580.td-b3lyp_6-31+g(d).qchem.inp (generated)

000126580.td-b3lyp_6-31+g(d).gjf (generated)

000126580.td-b3lyp_6-31+g(d).firefly.inp (generated)

000126580.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000126580.mol 000126580.PUBCHEM 000126580.mol (via Jmol)
000126582.b3lyp_6-31g(d).inp

000126582.b3lyp_6-31g(d).qchem.inp (generated)

000126582.b3lyp_6-31g(d).gjf (generated)

000126582.b3lyp_6-31g(d).firefly.inp (generated)

000126582.b3lyp_6-31g(d).smash.inp (generated)

000126582.b3lyp_6-31g(d).nwchem.inp (generated) 000126582.b3lyp_6-31g(d).log.xz 000126582.td-b3lyp_6-31g+(d).inp 000126582.td-b3lyp_6-31g+(d).log.xz

000126582.td-b3lyp_6-31+g(d).qchem.inp (generated)

000126582.td-b3lyp_6-31+g(d).gjf (generated)

000126582.td-b3lyp_6-31+g(d).firefly.inp (generated)

000126582.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000126582.mol 000126582.PUBCHEM 000126582.mol (via Jmol)
000126587.b3lyp_6-31g(d).inp

000126587.b3lyp_6-31g(d).qchem.inp (generated)

000126587.b3lyp_6-31g(d).gjf (generated)

000126587.b3lyp_6-31g(d).firefly.inp (generated)

000126587.b3lyp_6-31g(d).smash.inp (generated)

000126587.b3lyp_6-31g(d).nwchem.inp (generated) 000126587.b3lyp_6-31g(d).log.xz 000126587.td-b3lyp_6-31g+(d).inp 000126587.td-b3lyp_6-31g+(d).log.xz

000126587.td-b3lyp_6-31+g(d).qchem.inp (generated)

000126587.td-b3lyp_6-31+g(d).gjf (generated)

000126587.td-b3lyp_6-31+g(d).firefly.inp (generated)

000126587.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000126587.mol 000126587.PUBCHEM 000126587.mol (via Jmol)
000126589.b3lyp_6-31g(d).inp

000126589.b3lyp_6-31g(d).qchem.inp (generated)

000126589.b3lyp_6-31g(d).gjf (generated)

000126589.b3lyp_6-31g(d).firefly.inp (generated)

000126589.b3lyp_6-31g(d).smash.inp (generated)

000126589.b3lyp_6-31g(d).nwchem.inp (generated) 000126589.b3lyp_6-31g(d).log.xz 000126589.mol 000126589.PUBCHEM 000126589.mol (via Jmol)
000126590.b3lyp_6-31g(d).inp

000126590.b3lyp_6-31g(d).qchem.inp (generated)

000126590.b3lyp_6-31g(d).gjf (generated)

000126590.b3lyp_6-31g(d).firefly.inp (generated)

000126590.b3lyp_6-31g(d).smash.inp (generated)

000126590.b3lyp_6-31g(d).nwchem.inp (generated) 000126590.b3lyp_6-31g(d).log.xz 000126590.td-b3lyp_6-31g+(d).inp 000126590.td-b3lyp_6-31g+(d).log.xz

000126590.td-b3lyp_6-31+g(d).qchem.inp (generated)

000126590.td-b3lyp_6-31+g(d).gjf (generated)

000126590.td-b3lyp_6-31+g(d).firefly.inp (generated)

000126590.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000126590.mol 000126590.PUBCHEM 000126590.mol (via Jmol)
000126592.b3lyp_6-31g(d).inp

000126592.b3lyp_6-31g(d).qchem.inp (generated)

000126592.b3lyp_6-31g(d).gjf (generated)

000126592.b3lyp_6-31g(d).firefly.inp (generated)

000126592.b3lyp_6-31g(d).smash.inp (generated)

000126592.b3lyp_6-31g(d).nwchem.inp (generated) 000126592.b3lyp_6-31g(d).log.xz 000126592.td-b3lyp_6-31g+(d).inp 000126592.td-b3lyp_6-31g+(d).log.xz

000126592.td-b3lyp_6-31+g(d).qchem.inp (generated)

000126592.td-b3lyp_6-31+g(d).gjf (generated)

000126592.td-b3lyp_6-31+g(d).firefly.inp (generated)

000126592.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000126592.mol 000126592.PUBCHEM 000126592.mol (via Jmol)
000126618.b3lyp_6-31g(d).inp

000126618.b3lyp_6-31g(d).qchem.inp (generated)

000126618.b3lyp_6-31g(d).gjf (generated)

000126618.b3lyp_6-31g(d).firefly.inp (generated)

000126618.b3lyp_6-31g(d).smash.inp (generated)

000126618.b3lyp_6-31g(d).nwchem.inp (generated) 000126618.b3lyp_6-31g(d).log.xz 000126618.td-b3lyp_6-31g+(d).inp 000126618.td-b3lyp_6-31g+(d).log.xz

000126618.td-b3lyp_6-31+g(d).qchem.inp (generated)

000126618.td-b3lyp_6-31+g(d).gjf (generated)

000126618.td-b3lyp_6-31+g(d).firefly.inp (generated)

000126618.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000126618.mol 000126618.PUBCHEM 000126618.mol (via Jmol)
000126619.b3lyp_6-31g(d).inp

000126619.b3lyp_6-31g(d).qchem.inp (generated)

000126619.b3lyp_6-31g(d).gjf (generated)

000126619.b3lyp_6-31g(d).firefly.inp (generated)

000126619.b3lyp_6-31g(d).smash.inp (generated)

000126619.b3lyp_6-31g(d).nwchem.inp (generated) 000126619.b3lyp_6-31g(d).log.xz 000126619.td-b3lyp_6-31g+(d).inp 000126619.td-b3lyp_6-31g+(d).log.xz

000126619.td-b3lyp_6-31+g(d).qchem.inp (generated)

000126619.td-b3lyp_6-31+g(d).gjf (generated)

000126619.td-b3lyp_6-31+g(d).firefly.inp (generated)

000126619.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000126619.mol 000126619.PUBCHEM 000126619.mol (via Jmol)
000126628.b3lyp_6-31g(d).inp

000126628.b3lyp_6-31g(d).qchem.inp (generated)

000126628.b3lyp_6-31g(d).gjf (generated)

000126628.b3lyp_6-31g(d).firefly.inp (generated)

000126628.b3lyp_6-31g(d).smash.inp (generated)

000126628.b3lyp_6-31g(d).nwchem.inp (generated) 000126628.b3lyp_6-31g(d).log.xz 000126628.td-b3lyp_6-31g+(d).inp 000126628.td-b3lyp_6-31g+(d).log.xz

000126628.td-b3lyp_6-31+g(d).qchem.inp (generated)

000126628.td-b3lyp_6-31+g(d).gjf (generated)

000126628.td-b3lyp_6-31+g(d).firefly.inp (generated)

000126628.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000126628.mol 000126628.PUBCHEM 000126628.mol (via Jmol)
000126650.b3lyp_6-31g(d).inp

000126650.b3lyp_6-31g(d).qchem.inp (generated)

000126650.b3lyp_6-31g(d).gjf (generated)

000126650.b3lyp_6-31g(d).firefly.inp (generated)

000126650.b3lyp_6-31g(d).smash.inp (generated)

000126650.b3lyp_6-31g(d).nwchem.inp (generated) 000126650.b3lyp_6-31g(d).log.xz 000126650.mol 000126650.PUBCHEM 000126650.mol (via Jmol)
000126660.b3lyp_6-31g(d).inp

000126660.b3lyp_6-31g(d).qchem.inp (generated)

000126660.b3lyp_6-31g(d).gjf (generated)

000126660.b3lyp_6-31g(d).firefly.inp (generated)

000126660.b3lyp_6-31g(d).smash.inp (generated)

000126660.b3lyp_6-31g(d).nwchem.inp (generated) 000126660.b3lyp_6-31g(d).log.xz 000126660.td-b3lyp_6-31g+(d).inp 000126660.td-b3lyp_6-31g+(d).log.xz

000126660.td-b3lyp_6-31+g(d).qchem.inp (generated)

000126660.td-b3lyp_6-31+g(d).gjf (generated)

000126660.td-b3lyp_6-31+g(d).firefly.inp (generated)

000126660.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000126660.mol 000126660.PUBCHEM 000126660.mol (via Jmol)
000126669.b3lyp_6-31g(d).inp

000126669.b3lyp_6-31g(d).qchem.inp (generated)

000126669.b3lyp_6-31g(d).gjf (generated)

000126669.b3lyp_6-31g(d).firefly.inp (generated)

000126669.b3lyp_6-31g(d).smash.inp (generated)

000126669.b3lyp_6-31g(d).nwchem.inp (generated) 000126669.b3lyp_6-31g(d).log.xz 000126669.td-b3lyp_6-31g+(d).inp 000126669.td-b3lyp_6-31g+(d).log.xz

000126669.td-b3lyp_6-31+g(d).qchem.inp (generated)

000126669.td-b3lyp_6-31+g(d).gjf (generated)

000126669.td-b3lyp_6-31+g(d).firefly.inp (generated)

000126669.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000126669.mol 000126669.PUBCHEM 000126669.mol (via Jmol)
000126675.b3lyp_6-31g(d).inp

000126675.b3lyp_6-31g(d).qchem.inp (generated)

000126675.b3lyp_6-31g(d).gjf (generated)

000126675.b3lyp_6-31g(d).firefly.inp (generated)

000126675.b3lyp_6-31g(d).smash.inp (generated)

000126675.b3lyp_6-31g(d).nwchem.inp (generated) 000126675.b3lyp_6-31g(d).log.xz 000126675.td-b3lyp_6-31g+(d).inp 000126675.td-b3lyp_6-31g+(d).log.xz

000126675.td-b3lyp_6-31+g(d).qchem.inp (generated)

000126675.td-b3lyp_6-31+g(d).gjf (generated)

000126675.td-b3lyp_6-31+g(d).firefly.inp (generated)

000126675.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000126675.mol 000126675.PUBCHEM 000126675.mol (via Jmol)
000126688.b3lyp_6-31g(d).inp

000126688.b3lyp_6-31g(d).qchem.inp (generated)

000126688.b3lyp_6-31g(d).gjf (generated)

000126688.b3lyp_6-31g(d).firefly.inp (generated)

000126688.b3lyp_6-31g(d).smash.inp (generated)

000126688.b3lyp_6-31g(d).nwchem.inp (generated) 000126688.b3lyp_6-31g(d).log.xz 000126688.td-b3lyp_6-31g+(d).inp 000126688.td-b3lyp_6-31g+(d).log.xz

000126688.td-b3lyp_6-31+g(d).qchem.inp (generated)

000126688.td-b3lyp_6-31+g(d).gjf (generated)

000126688.td-b3lyp_6-31+g(d).firefly.inp (generated)

000126688.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000126688.mol 000126688.PUBCHEM 000126688.mol (via Jmol)
000126693.b3lyp_6-31g(d).inp

000126693.b3lyp_6-31g(d).qchem.inp (generated)

000126693.b3lyp_6-31g(d).gjf (generated)

000126693.b3lyp_6-31g(d).firefly.inp (generated)

000126693.b3lyp_6-31g(d).smash.inp (generated)

000126693.b3lyp_6-31g(d).nwchem.inp (generated) 000126693.b3lyp_6-31g(d).log.xz 000126693.td-b3lyp_6-31g+(d).inp 000126693.td-b3lyp_6-31g+(d).log.xz

000126693.td-b3lyp_6-31+g(d).qchem.inp (generated)

000126693.td-b3lyp_6-31+g(d).gjf (generated)

000126693.td-b3lyp_6-31+g(d).firefly.inp (generated)

000126693.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000126693.mol 000126693.PUBCHEM 000126693.mol (via Jmol)
000126706.b3lyp_6-31g(d).inp

000126706.b3lyp_6-31g(d).qchem.inp (generated)

000126706.b3lyp_6-31g(d).gjf (generated)

000126706.b3lyp_6-31g(d).firefly.inp (generated)

000126706.b3lyp_6-31g(d).smash.inp (generated)

000126706.b3lyp_6-31g(d).nwchem.inp (generated) 000126706.b3lyp_6-31g(d).log.xz 000126706.td-b3lyp_6-31g+(d).inp 000126706.td-b3lyp_6-31g+(d).log.xz

000126706.td-b3lyp_6-31+g(d).qchem.inp (generated)

000126706.td-b3lyp_6-31+g(d).gjf (generated)

000126706.td-b3lyp_6-31+g(d).firefly.inp (generated)

000126706.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000126706.mol 000126706.PUBCHEM 000126706.mol (via Jmol)
000126717.b3lyp_6-31g(d).inp

000126717.b3lyp_6-31g(d).qchem.inp (generated)

000126717.b3lyp_6-31g(d).gjf (generated)

000126717.b3lyp_6-31g(d).firefly.inp (generated)

000126717.b3lyp_6-31g(d).smash.inp (generated)

000126717.b3lyp_6-31g(d).nwchem.inp (generated) 000126717.b3lyp_6-31g(d).log.xz 000126717.td-b3lyp_6-31g+(d).inp 000126717.td-b3lyp_6-31g+(d).log.xz

000126717.td-b3lyp_6-31+g(d).qchem.inp (generated)

000126717.td-b3lyp_6-31+g(d).gjf (generated)

000126717.td-b3lyp_6-31+g(d).firefly.inp (generated)

000126717.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000126717.mol 000126717.PUBCHEM 000126717.mol (via Jmol)
000126720.b3lyp_6-31g(d).inp

000126720.b3lyp_6-31g(d).qchem.inp (generated)

000126720.b3lyp_6-31g(d).gjf (generated)

000126720.b3lyp_6-31g(d).firefly.inp (generated)

000126720.b3lyp_6-31g(d).smash.inp (generated)

000126720.b3lyp_6-31g(d).nwchem.inp (generated) 000126720.b3lyp_6-31g(d).log.xz 000126720.td-b3lyp_6-31g+(d).inp 000126720.td-b3lyp_6-31g+(d).log.xz

000126720.td-b3lyp_6-31+g(d).qchem.inp (generated)

000126720.td-b3lyp_6-31+g(d).gjf (generated)

000126720.td-b3lyp_6-31+g(d).firefly.inp (generated)

000126720.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000126720.mol 000126720.PUBCHEM 000126720.mol (via Jmol)
000126724.b3lyp_6-31g(d).inp

000126724.b3lyp_6-31g(d).qchem.inp (generated)

000126724.b3lyp_6-31g(d).gjf (generated)

000126724.b3lyp_6-31g(d).firefly.inp (generated)

000126724.b3lyp_6-31g(d).smash.inp (generated)

000126724.b3lyp_6-31g(d).nwchem.inp (generated) 000126724.b3lyp_6-31g(d).log.xz 000126724.td-b3lyp_6-31g+(d).inp 000126724.td-b3lyp_6-31g+(d).log.xz

000126724.td-b3lyp_6-31+g(d).qchem.inp (generated)

000126724.td-b3lyp_6-31+g(d).gjf (generated)

000126724.td-b3lyp_6-31+g(d).firefly.inp (generated)

000126724.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000126724.mol 000126724.PUBCHEM 000126724.mol (via Jmol)
000126727.b3lyp_6-31g(d).inp

000126727.b3lyp_6-31g(d).qchem.inp (generated)

000126727.b3lyp_6-31g(d).gjf (generated)

000126727.b3lyp_6-31g(d).firefly.inp (generated)

000126727.b3lyp_6-31g(d).smash.inp (generated)

000126727.b3lyp_6-31g(d).nwchem.inp (generated) 000126727.b3lyp_6-31g(d).log.xz 000126727.td-b3lyp_6-31g+(d).inp 000126727.td-b3lyp_6-31g+(d).log.xz

000126727.td-b3lyp_6-31+g(d).qchem.inp (generated)

000126727.td-b3lyp_6-31+g(d).gjf (generated)

000126727.td-b3lyp_6-31+g(d).firefly.inp (generated)

000126727.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000126727.mol 000126727.PUBCHEM 000126727.mol (via Jmol)
000126737.b3lyp_6-31g(d).inp

000126737.b3lyp_6-31g(d).qchem.inp (generated)

000126737.b3lyp_6-31g(d).gjf (generated)

000126737.b3lyp_6-31g(d).firefly.inp (generated)

000126737.b3lyp_6-31g(d).smash.inp (generated)

000126737.b3lyp_6-31g(d).nwchem.inp (generated) 000126737.b3lyp_6-31g(d).log.xz 000126737.td-b3lyp_6-31g+(d).inp 000126737.td-b3lyp_6-31g+(d).log.xz

000126737.td-b3lyp_6-31+g(d).qchem.inp (generated)

000126737.td-b3lyp_6-31+g(d).gjf (generated)

000126737.td-b3lyp_6-31+g(d).firefly.inp (generated)

000126737.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000126737.mol 000126737.PUBCHEM 000126737.mol (via Jmol)
000126748.b3lyp_6-31g(d).inp

000126748.b3lyp_6-31g(d).qchem.inp (generated)

000126748.b3lyp_6-31g(d).gjf (generated)

000126748.b3lyp_6-31g(d).firefly.inp (generated)

000126748.b3lyp_6-31g(d).smash.inp (generated)

000126748.b3lyp_6-31g(d).nwchem.inp (generated) 000126748.b3lyp_6-31g(d).log.xz 000126748.td-b3lyp_6-31g+(d).inp 000126748.td-b3lyp_6-31g+(d).log.xz

000126748.td-b3lyp_6-31+g(d).qchem.inp (generated)

000126748.td-b3lyp_6-31+g(d).gjf (generated)

000126748.td-b3lyp_6-31+g(d).firefly.inp (generated)

000126748.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000126748.mol 000126748.PUBCHEM 000126748.mol (via Jmol)
000126770.b3lyp_6-31g(d).inp

000126770.b3lyp_6-31g(d).qchem.inp (generated)

000126770.b3lyp_6-31g(d).gjf (generated)

000126770.b3lyp_6-31g(d).firefly.inp (generated)

000126770.b3lyp_6-31g(d).smash.inp (generated)

000126770.b3lyp_6-31g(d).nwchem.inp (generated) 000126770.b3lyp_6-31g(d).log.xz 000126770.td-b3lyp_6-31g+(d).inp 000126770.td-b3lyp_6-31g+(d).log.xz

000126770.td-b3lyp_6-31+g(d).qchem.inp (generated)

000126770.td-b3lyp_6-31+g(d).gjf (generated)

000126770.td-b3lyp_6-31+g(d).firefly.inp (generated)

000126770.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000126770.mol 000126770.PUBCHEM 000126770.mol (via Jmol)
000126771.b3lyp_6-31g(d).inp

000126771.b3lyp_6-31g(d).qchem.inp (generated)

000126771.b3lyp_6-31g(d).gjf (generated)

000126771.b3lyp_6-31g(d).firefly.inp (generated)

000126771.b3lyp_6-31g(d).smash.inp (generated)

000126771.b3lyp_6-31g(d).nwchem.inp (generated) 000126771.b3lyp_6-31g(d).log.xz 000126771.td-b3lyp_6-31g+(d).inp 000126771.td-b3lyp_6-31g+(d).log.xz

000126771.td-b3lyp_6-31+g(d).qchem.inp (generated)

000126771.td-b3lyp_6-31+g(d).gjf (generated)

000126771.td-b3lyp_6-31+g(d).firefly.inp (generated)

000126771.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000126771.mol 000126771.PUBCHEM 000126771.mol (via Jmol)
000126798.b3lyp_6-31g(d).inp

000126798.b3lyp_6-31g(d).qchem.inp (generated)

000126798.b3lyp_6-31g(d).gjf (generated)

000126798.b3lyp_6-31g(d).firefly.inp (generated)

000126798.b3lyp_6-31g(d).smash.inp (generated)

000126798.b3lyp_6-31g(d).nwchem.inp (generated) 000126798.b3lyp_6-31g(d).log.xz 000126798.td-b3lyp_6-31g+(d).inp 000126798.td-b3lyp_6-31g+(d).log.xz

000126798.td-b3lyp_6-31+g(d).qchem.inp (generated)

000126798.td-b3lyp_6-31+g(d).gjf (generated)

000126798.td-b3lyp_6-31+g(d).firefly.inp (generated)

000126798.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000126798.mol 000126798.PUBCHEM 000126798.mol (via Jmol)
000126801.b3lyp_6-31g(d).inp

000126801.b3lyp_6-31g(d).qchem.inp (generated)

000126801.b3lyp_6-31g(d).gjf (generated)

000126801.b3lyp_6-31g(d).firefly.inp (generated)

000126801.b3lyp_6-31g(d).smash.inp (generated)

000126801.b3lyp_6-31g(d).nwchem.inp (generated) 000126801.b3lyp_6-31g(d).log.xz 000126801.td-b3lyp_6-31g+(d).inp 000126801.td-b3lyp_6-31g+(d).log.xz

000126801.td-b3lyp_6-31+g(d).qchem.inp (generated)

000126801.td-b3lyp_6-31+g(d).gjf (generated)

000126801.td-b3lyp_6-31+g(d).firefly.inp (generated)

000126801.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000126801.mol 000126801.PUBCHEM 000126801.mol (via Jmol)
000126817.b3lyp_6-31g(d).inp

000126817.b3lyp_6-31g(d).qchem.inp (generated)

000126817.b3lyp_6-31g(d).gjf (generated)

000126817.b3lyp_6-31g(d).firefly.inp (generated)

000126817.b3lyp_6-31g(d).smash.inp (generated)

000126817.b3lyp_6-31g(d).nwchem.inp (generated) 000126817.b3lyp_6-31g(d).log.xz 000126817.td-b3lyp_6-31g+(d).inp 000126817.td-b3lyp_6-31g+(d).log.xz

000126817.td-b3lyp_6-31+g(d).qchem.inp (generated)

000126817.td-b3lyp_6-31+g(d).gjf (generated)

000126817.td-b3lyp_6-31+g(d).firefly.inp (generated)

000126817.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000126817.mol 000126817.PUBCHEM 000126817.mol (via Jmol)
000126820.b3lyp_6-31g(d).inp

000126820.b3lyp_6-31g(d).qchem.inp (generated)

000126820.b3lyp_6-31g(d).gjf (generated)

000126820.b3lyp_6-31g(d).firefly.inp (generated)

000126820.b3lyp_6-31g(d).smash.inp (generated)

000126820.b3lyp_6-31g(d).nwchem.inp (generated) 000126820.b3lyp_6-31g(d).log.xz 000126820.td-b3lyp_6-31g+(d).inp 000126820.td-b3lyp_6-31g+(d).log.xz

000126820.td-b3lyp_6-31+g(d).qchem.inp (generated)

000126820.td-b3lyp_6-31+g(d).gjf (generated)

000126820.td-b3lyp_6-31+g(d).firefly.inp (generated)

000126820.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000126820.mol 000126820.PUBCHEM 000126820.mol (via Jmol)
000126836.b3lyp_6-31g(d).inp

000126836.b3lyp_6-31g(d).qchem.inp (generated)

000126836.b3lyp_6-31g(d).gjf (generated)

000126836.b3lyp_6-31g(d).firefly.inp (generated)

000126836.b3lyp_6-31g(d).smash.inp (generated)

000126836.b3lyp_6-31g(d).nwchem.inp (generated) 000126836.b3lyp_6-31g(d).log.xz 000126836.td-b3lyp_6-31g+(d).inp 000126836.td-b3lyp_6-31g+(d).log.xz

000126836.td-b3lyp_6-31+g(d).qchem.inp (generated)

000126836.td-b3lyp_6-31+g(d).gjf (generated)

000126836.td-b3lyp_6-31+g(d).firefly.inp (generated)

000126836.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000126836.mol 000126836.PUBCHEM 000126836.mol (via Jmol)
000126856.b3lyp_6-31g(d).inp

000126856.b3lyp_6-31g(d).qchem.inp (generated)

000126856.b3lyp_6-31g(d).gjf (generated)

000126856.b3lyp_6-31g(d).firefly.inp (generated)

000126856.b3lyp_6-31g(d).smash.inp (generated)

000126856.b3lyp_6-31g(d).nwchem.inp (generated) 000126856.b3lyp_6-31g(d).log.xz 000126856.td-b3lyp_6-31g+(d).inp 000126856.td-b3lyp_6-31g+(d).log.xz

000126856.td-b3lyp_6-31+g(d).qchem.inp (generated)

000126856.td-b3lyp_6-31+g(d).gjf (generated)

000126856.td-b3lyp_6-31+g(d).firefly.inp (generated)

000126856.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000126856.mol 000126856.PUBCHEM 000126856.mol (via Jmol)
000126859.b3lyp_6-31g(d).inp

000126859.b3lyp_6-31g(d).qchem.inp (generated)

000126859.b3lyp_6-31g(d).gjf (generated)

000126859.b3lyp_6-31g(d).firefly.inp (generated)

000126859.b3lyp_6-31g(d).smash.inp (generated)

000126859.b3lyp_6-31g(d).nwchem.inp (generated) 000126859.b3lyp_6-31g(d).log.xz 000126859.td-b3lyp_6-31g+(d).inp 000126859.td-b3lyp_6-31g+(d).log.xz

000126859.td-b3lyp_6-31+g(d).qchem.inp (generated)

000126859.td-b3lyp_6-31+g(d).gjf (generated)

000126859.td-b3lyp_6-31+g(d).firefly.inp (generated)

000126859.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000126859.mol 000126859.PUBCHEM 000126859.mol (via Jmol)
000126863.b3lyp_6-31g(d).inp

000126863.b3lyp_6-31g(d).qchem.inp (generated)

000126863.b3lyp_6-31g(d).gjf (generated)

000126863.b3lyp_6-31g(d).firefly.inp (generated)

000126863.b3lyp_6-31g(d).smash.inp (generated)

000126863.b3lyp_6-31g(d).nwchem.inp (generated) 000126863.b3lyp_6-31g(d).log.xz 000126863.td-b3lyp_6-31g+(d).inp 000126863.td-b3lyp_6-31g+(d).log.xz

000126863.td-b3lyp_6-31+g(d).qchem.inp (generated)

000126863.td-b3lyp_6-31+g(d).gjf (generated)

000126863.td-b3lyp_6-31+g(d).firefly.inp (generated)

000126863.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000126863.mol 000126863.PUBCHEM 000126863.mol (via Jmol)
000126865.b3lyp_6-31g(d).inp

000126865.b3lyp_6-31g(d).qchem.inp (generated)

000126865.b3lyp_6-31g(d).gjf (generated)

000126865.b3lyp_6-31g(d).firefly.inp (generated)

000126865.b3lyp_6-31g(d).smash.inp (generated)

000126865.b3lyp_6-31g(d).nwchem.inp (generated) 000126865.b3lyp_6-31g(d).log.xz 000126865.td-b3lyp_6-31g+(d).inp 000126865.td-b3lyp_6-31g+(d).log.xz

000126865.td-b3lyp_6-31+g(d).qchem.inp (generated)

000126865.td-b3lyp_6-31+g(d).gjf (generated)

000126865.td-b3lyp_6-31+g(d).firefly.inp (generated)

000126865.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000126865.mol 000126865.PUBCHEM 000126865.mol (via Jmol)
000126866.b3lyp_6-31g(d).inp

000126866.b3lyp_6-31g(d).qchem.inp (generated)

000126866.b3lyp_6-31g(d).gjf (generated)

000126866.b3lyp_6-31g(d).firefly.inp (generated)

000126866.b3lyp_6-31g(d).smash.inp (generated)

000126866.b3lyp_6-31g(d).nwchem.inp (generated) 000126866.b3lyp_6-31g(d).log.xz 000126866.mol 000126866.PUBCHEM 000126866.mol (via Jmol)
000126879.b3lyp_6-31g(d).inp

000126879.b3lyp_6-31g(d).qchem.inp (generated)

000126879.b3lyp_6-31g(d).gjf (generated)

000126879.b3lyp_6-31g(d).firefly.inp (generated)

000126879.b3lyp_6-31g(d).smash.inp (generated)

000126879.b3lyp_6-31g(d).nwchem.inp (generated) 000126879.b3lyp_6-31g(d).log.xz 000126879.td-b3lyp_6-31g+(d).inp 000126879.td-b3lyp_6-31g+(d).log.xz

000126879.td-b3lyp_6-31+g(d).qchem.inp (generated)

000126879.td-b3lyp_6-31+g(d).gjf (generated)

000126879.td-b3lyp_6-31+g(d).firefly.inp (generated)

000126879.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000126879.mol 000126879.PUBCHEM 000126879.mol (via Jmol)
000126892.b3lyp_6-31g(d).inp

000126892.b3lyp_6-31g(d).qchem.inp (generated)

000126892.b3lyp_6-31g(d).gjf (generated)

000126892.b3lyp_6-31g(d).firefly.inp (generated)

000126892.b3lyp_6-31g(d).smash.inp (generated)

000126892.b3lyp_6-31g(d).nwchem.inp (generated) 000126892.b3lyp_6-31g(d).log.xz 000126892.td-b3lyp_6-31g+(d).inp 000126892.td-b3lyp_6-31g+(d).log.xz

000126892.td-b3lyp_6-31+g(d).qchem.inp (generated)

000126892.td-b3lyp_6-31+g(d).gjf (generated)

000126892.td-b3lyp_6-31+g(d).firefly.inp (generated)

000126892.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000126892.mol 000126892.PUBCHEM 000126892.mol (via Jmol)
000126900.b3lyp_6-31g(d).inp

000126900.b3lyp_6-31g(d).qchem.inp (generated)

000126900.b3lyp_6-31g(d).gjf (generated)

000126900.b3lyp_6-31g(d).firefly.inp (generated)

000126900.b3lyp_6-31g(d).smash.inp (generated)

000126900.b3lyp_6-31g(d).nwchem.inp (generated) 000126900.b3lyp_6-31g(d).log.xz 000126900.td-b3lyp_6-31g+(d).inp 000126900.td-b3lyp_6-31g+(d).log.xz

000126900.td-b3lyp_6-31+g(d).qchem.inp (generated)

000126900.td-b3lyp_6-31+g(d).gjf (generated)

000126900.td-b3lyp_6-31+g(d).firefly.inp (generated)

000126900.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000126900.mol 000126900.PUBCHEM 000126900.mol (via Jmol)
000126905.b3lyp_6-31g(d).inp

000126905.b3lyp_6-31g(d).qchem.inp (generated)

000126905.b3lyp_6-31g(d).gjf (generated)

000126905.b3lyp_6-31g(d).firefly.inp (generated)

000126905.b3lyp_6-31g(d).smash.inp (generated)

000126905.b3lyp_6-31g(d).nwchem.inp (generated) 000126905.b3lyp_6-31g(d).log.xz 000126905.mol 000126905.PUBCHEM 000126905.mol (via Jmol)
000126906.b3lyp_6-31g(d).inp

000126906.b3lyp_6-31g(d).qchem.inp (generated)

000126906.b3lyp_6-31g(d).gjf (generated)

000126906.b3lyp_6-31g(d).firefly.inp (generated)

000126906.b3lyp_6-31g(d).smash.inp (generated)

000126906.b3lyp_6-31g(d).nwchem.inp (generated) 000126906.b3lyp_6-31g(d).log.xz 000126906.td-b3lyp_6-31g+(d).inp 000126906.td-b3lyp_6-31g+(d).log.xz

000126906.td-b3lyp_6-31+g(d).qchem.inp (generated)

000126906.td-b3lyp_6-31+g(d).gjf (generated)

000126906.td-b3lyp_6-31+g(d).firefly.inp (generated)

000126906.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000126906.mol 000126906.PUBCHEM 000126906.mol (via Jmol)
000126909.b3lyp_6-31g(d).inp

000126909.b3lyp_6-31g(d).qchem.inp (generated)

000126909.b3lyp_6-31g(d).gjf (generated)

000126909.b3lyp_6-31g(d).firefly.inp (generated)

000126909.b3lyp_6-31g(d).smash.inp (generated)

000126909.b3lyp_6-31g(d).nwchem.inp (generated) 000126909.b3lyp_6-31g(d).log.xz 000126909.td-b3lyp_6-31g+(d).inp 000126909.td-b3lyp_6-31g+(d).log.xz

000126909.td-b3lyp_6-31+g(d).qchem.inp (generated)

000126909.td-b3lyp_6-31+g(d).gjf (generated)

000126909.td-b3lyp_6-31+g(d).firefly.inp (generated)

000126909.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000126909.mol 000126909.PUBCHEM 000126909.mol (via Jmol)
000126924.b3lyp_6-31g(d).inp

000126924.b3lyp_6-31g(d).qchem.inp (generated)

000126924.b3lyp_6-31g(d).gjf (generated)

000126924.b3lyp_6-31g(d).firefly.inp (generated)

000126924.b3lyp_6-31g(d).smash.inp (generated)

000126924.b3lyp_6-31g(d).nwchem.inp (generated) 000126924.b3lyp_6-31g(d).log.xz 000126924.td-b3lyp_6-31g+(d).inp 000126924.td-b3lyp_6-31g+(d).log.xz

000126924.td-b3lyp_6-31+g(d).qchem.inp (generated)

000126924.td-b3lyp_6-31+g(d).gjf (generated)

000126924.td-b3lyp_6-31+g(d).firefly.inp (generated)

000126924.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000126924.mol 000126924.PUBCHEM 000126924.mol (via Jmol)
000126962.b3lyp_6-31g(d).inp

000126962.b3lyp_6-31g(d).qchem.inp (generated)

000126962.b3lyp_6-31g(d).gjf (generated)

000126962.b3lyp_6-31g(d).firefly.inp (generated)

000126962.b3lyp_6-31g(d).smash.inp (generated)

000126962.b3lyp_6-31g(d).nwchem.inp (generated) 000126962.b3lyp_6-31g(d).log.xz 000126962.td-b3lyp_6-31g+(d).inp 000126962.td-b3lyp_6-31g+(d).log.xz

000126962.td-b3lyp_6-31+g(d).qchem.inp (generated)

000126962.td-b3lyp_6-31+g(d).gjf (generated)

000126962.td-b3lyp_6-31+g(d).firefly.inp (generated)

000126962.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000126962.mol 000126962.PUBCHEM 000126962.mol (via Jmol)
000126982.b3lyp_6-31g(d).inp

000126982.b3lyp_6-31g(d).qchem.inp (generated)

000126982.b3lyp_6-31g(d).gjf (generated)

000126982.b3lyp_6-31g(d).firefly.inp (generated)

000126982.b3lyp_6-31g(d).smash.inp (generated)

000126982.b3lyp_6-31g(d).nwchem.inp (generated) 000126982.b3lyp_6-31g(d).log.xz 000126982.td-b3lyp_6-31g+(d).inp 000126982.td-b3lyp_6-31g+(d).log.xz

000126982.td-b3lyp_6-31+g(d).qchem.inp (generated)

000126982.td-b3lyp_6-31+g(d).gjf (generated)

000126982.td-b3lyp_6-31+g(d).firefly.inp (generated)

000126982.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000126982.mol 000126982.PUBCHEM 000126982.mol (via Jmol)
000126991.b3lyp_6-31g(d).inp

000126991.b3lyp_6-31g(d).qchem.inp (generated)

000126991.b3lyp_6-31g(d).gjf (generated)

000126991.b3lyp_6-31g(d).firefly.inp (generated)

000126991.b3lyp_6-31g(d).smash.inp (generated)

000126991.b3lyp_6-31g(d).nwchem.inp (generated) 000126991.b3lyp_6-31g(d).log.xz 000126991.td-b3lyp_6-31g+(d).inp 000126991.td-b3lyp_6-31g+(d).log.xz

000126991.td-b3lyp_6-31+g(d).qchem.inp (generated)

000126991.td-b3lyp_6-31+g(d).gjf (generated)

000126991.td-b3lyp_6-31+g(d).firefly.inp (generated)

000126991.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000126991.mol 000126991.PUBCHEM 000126991.mol (via Jmol)
000126992.b3lyp_6-31g(d).inp

000126992.b3lyp_6-31g(d).qchem.inp (generated)

000126992.b3lyp_6-31g(d).gjf (generated)

000126992.b3lyp_6-31g(d).firefly.inp (generated)

000126992.b3lyp_6-31g(d).smash.inp (generated)

000126992.b3lyp_6-31g(d).nwchem.inp (generated) 000126992.b3lyp_6-31g(d).log.xz 000126992.td-b3lyp_6-31g+(d).inp 000126992.td-b3lyp_6-31g+(d).log.xz

000126992.td-b3lyp_6-31+g(d).qchem.inp (generated)

000126992.td-b3lyp_6-31+g(d).gjf (generated)

000126992.td-b3lyp_6-31+g(d).firefly.inp (generated)

000126992.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000126992.mol 000126992.PUBCHEM 000126992.mol (via Jmol)
000126995.b3lyp_6-31g(d).inp

000126995.b3lyp_6-31g(d).qchem.inp (generated)

000126995.b3lyp_6-31g(d).gjf (generated)

000126995.b3lyp_6-31g(d).firefly.inp (generated)

000126995.b3lyp_6-31g(d).smash.inp (generated)

000126995.b3lyp_6-31g(d).nwchem.inp (generated) 000126995.b3lyp_6-31g(d).log.xz 000126995.td-b3lyp_6-31g+(d).inp 000126995.td-b3lyp_6-31g+(d).log.xz

000126995.td-b3lyp_6-31+g(d).qchem.inp (generated)

000126995.td-b3lyp_6-31+g(d).gjf (generated)

000126995.td-b3lyp_6-31+g(d).firefly.inp (generated)

000126995.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000126995.mol 000126995.PUBCHEM 000126995.mol (via Jmol)
000127005.b3lyp_6-31g(d).inp

000127005.b3lyp_6-31g(d).qchem.inp (generated)

000127005.b3lyp_6-31g(d).gjf (generated)

000127005.b3lyp_6-31g(d).firefly.inp (generated)

000127005.b3lyp_6-31g(d).smash.inp (generated)

000127005.b3lyp_6-31g(d).nwchem.inp (generated) 000127005.b3lyp_6-31g(d).log.xz 000127005.td-b3lyp_6-31g+(d).inp 000127005.td-b3lyp_6-31g+(d).log.xz

000127005.td-b3lyp_6-31+g(d).qchem.inp (generated)

000127005.td-b3lyp_6-31+g(d).gjf (generated)

000127005.td-b3lyp_6-31+g(d).firefly.inp (generated)

000127005.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000127005.mol 000127005.PUBCHEM 000127005.mol (via Jmol)
000127008.b3lyp_6-31g(d).inp

000127008.b3lyp_6-31g(d).qchem.inp (generated)

000127008.b3lyp_6-31g(d).gjf (generated)

000127008.b3lyp_6-31g(d).firefly.inp (generated)

000127008.b3lyp_6-31g(d).smash.inp (generated)

000127008.b3lyp_6-31g(d).nwchem.inp (generated) 000127008.b3lyp_6-31g(d).log.xz 000127008.td-b3lyp_6-31g+(d).inp 000127008.td-b3lyp_6-31g+(d).log.xz

000127008.td-b3lyp_6-31+g(d).qchem.inp (generated)

000127008.td-b3lyp_6-31+g(d).gjf (generated)

000127008.td-b3lyp_6-31+g(d).firefly.inp (generated)

000127008.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000127008.mol 000127008.PUBCHEM 000127008.mol (via Jmol)
000127016.b3lyp_6-31g(d).inp

000127016.b3lyp_6-31g(d).qchem.inp (generated)

000127016.b3lyp_6-31g(d).gjf (generated)

000127016.b3lyp_6-31g(d).firefly.inp (generated)

000127016.b3lyp_6-31g(d).smash.inp (generated)

000127016.b3lyp_6-31g(d).nwchem.inp (generated) 000127016.b3lyp_6-31g(d).log.xz 000127016.td-b3lyp_6-31g+(d).inp 000127016.td-b3lyp_6-31g+(d).log.xz

000127016.td-b3lyp_6-31+g(d).qchem.inp (generated)

000127016.td-b3lyp_6-31+g(d).gjf (generated)

000127016.td-b3lyp_6-31+g(d).firefly.inp (generated)

000127016.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000127016.mol 000127016.PUBCHEM 000127016.mol (via Jmol)
000127030.b3lyp_6-31g(d).inp

000127030.b3lyp_6-31g(d).qchem.inp (generated)

000127030.b3lyp_6-31g(d).gjf (generated)

000127030.b3lyp_6-31g(d).firefly.inp (generated)

000127030.b3lyp_6-31g(d).smash.inp (generated)

000127030.b3lyp_6-31g(d).nwchem.inp (generated) 000127030.b3lyp_6-31g(d).log.xz 000127030.td-b3lyp_6-31g+(d).inp 000127030.td-b3lyp_6-31g+(d).log.xz

000127030.td-b3lyp_6-31+g(d).qchem.inp (generated)

000127030.td-b3lyp_6-31+g(d).gjf (generated)

000127030.td-b3lyp_6-31+g(d).firefly.inp (generated)

000127030.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000127030.mol 000127030.PUBCHEM 000127030.mol (via Jmol)
000127032.b3lyp_6-31g(d).inp

000127032.b3lyp_6-31g(d).qchem.inp (generated)

000127032.b3lyp_6-31g(d).gjf (generated)

000127032.b3lyp_6-31g(d).firefly.inp (generated)

000127032.b3lyp_6-31g(d).smash.inp (generated)

000127032.b3lyp_6-31g(d).nwchem.inp (generated) 000127032.b3lyp_6-31g(d).log.xz 000127032.td-b3lyp_6-31g+(d).inp 000127032.td-b3lyp_6-31g+(d).log.xz

000127032.td-b3lyp_6-31+g(d).qchem.inp (generated)

000127032.td-b3lyp_6-31+g(d).gjf (generated)

000127032.td-b3lyp_6-31+g(d).firefly.inp (generated)

000127032.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000127032.mol 000127032.PUBCHEM 000127032.mol (via Jmol)
000127037.b3lyp_6-31g(d).inp

000127037.b3lyp_6-31g(d).qchem.inp (generated)

000127037.b3lyp_6-31g(d).gjf (generated)

000127037.b3lyp_6-31g(d).firefly.inp (generated)

000127037.b3lyp_6-31g(d).smash.inp (generated)

000127037.b3lyp_6-31g(d).nwchem.inp (generated) 000127037.b3lyp_6-31g(d).log.xz 000127037.td-b3lyp_6-31g+(d).inp 000127037.td-b3lyp_6-31g+(d).log.xz

000127037.td-b3lyp_6-31+g(d).qchem.inp (generated)

000127037.td-b3lyp_6-31+g(d).gjf (generated)

000127037.td-b3lyp_6-31+g(d).firefly.inp (generated)

000127037.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000127037.mol 000127037.PUBCHEM 000127037.mol (via Jmol)
000127065.b3lyp_6-31g(d).inp

000127065.b3lyp_6-31g(d).qchem.inp (generated)

000127065.b3lyp_6-31g(d).gjf (generated)

000127065.b3lyp_6-31g(d).firefly.inp (generated)

000127065.b3lyp_6-31g(d).smash.inp (generated)

000127065.b3lyp_6-31g(d).nwchem.inp (generated) 000127065.b3lyp_6-31g(d).log.xz 000127065.td-b3lyp_6-31g+(d).inp 000127065.td-b3lyp_6-31g+(d).log.xz

000127065.td-b3lyp_6-31+g(d).qchem.inp (generated)

000127065.td-b3lyp_6-31+g(d).gjf (generated)

000127065.td-b3lyp_6-31+g(d).firefly.inp (generated)

000127065.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000127065.mol 000127065.PUBCHEM 000127065.mol (via Jmol)
000127066.b3lyp_6-31g(d).inp

000127066.b3lyp_6-31g(d).qchem.inp (generated)

000127066.b3lyp_6-31g(d).gjf (generated)

000127066.b3lyp_6-31g(d).firefly.inp (generated)

000127066.b3lyp_6-31g(d).smash.inp (generated)

000127066.b3lyp_6-31g(d).nwchem.inp (generated) 000127066.b3lyp_6-31g(d).log.xz 000127066.td-b3lyp_6-31g+(d).inp 000127066.td-b3lyp_6-31g+(d).log.xz

000127066.td-b3lyp_6-31+g(d).qchem.inp (generated)

000127066.td-b3lyp_6-31+g(d).gjf (generated)

000127066.td-b3lyp_6-31+g(d).firefly.inp (generated)

000127066.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000127066.mol 000127066.PUBCHEM 000127066.mol (via Jmol)
000127086.b3lyp_6-31g(d).inp

000127086.b3lyp_6-31g(d).qchem.inp (generated)

000127086.b3lyp_6-31g(d).gjf (generated)

000127086.b3lyp_6-31g(d).firefly.inp (generated)

000127086.b3lyp_6-31g(d).smash.inp (generated)

000127086.b3lyp_6-31g(d).nwchem.inp (generated) 000127086.b3lyp_6-31g(d).log.xz 000127086.td-b3lyp_6-31g+(d).inp 000127086.td-b3lyp_6-31g+(d).log.xz

000127086.td-b3lyp_6-31+g(d).qchem.inp (generated)

000127086.td-b3lyp_6-31+g(d).gjf (generated)

000127086.td-b3lyp_6-31+g(d).firefly.inp (generated)

000127086.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000127086.mol 000127086.PUBCHEM 000127086.mol (via Jmol)
000127089.b3lyp_6-31g(d).inp

000127089.b3lyp_6-31g(d).qchem.inp (generated)

000127089.b3lyp_6-31g(d).gjf (generated)

000127089.b3lyp_6-31g(d).firefly.inp (generated)

000127089.b3lyp_6-31g(d).smash.inp (generated)

000127089.b3lyp_6-31g(d).nwchem.inp (generated) 000127089.b3lyp_6-31g(d).log.xz 000127089.td-b3lyp_6-31g+(d).inp 000127089.td-b3lyp_6-31g+(d).log.xz

000127089.td-b3lyp_6-31+g(d).qchem.inp (generated)

000127089.td-b3lyp_6-31+g(d).gjf (generated)

000127089.td-b3lyp_6-31+g(d).firefly.inp (generated)

000127089.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000127089.mol 000127089.PUBCHEM 000127089.mol (via Jmol)
000127091.b3lyp_6-31g(d).inp

000127091.b3lyp_6-31g(d).qchem.inp (generated)

000127091.b3lyp_6-31g(d).gjf (generated)

000127091.b3lyp_6-31g(d).firefly.inp (generated)

000127091.b3lyp_6-31g(d).smash.inp (generated)

000127091.b3lyp_6-31g(d).nwchem.inp (generated) 000127091.b3lyp_6-31g(d).log.xz 000127091.td-b3lyp_6-31g+(d).inp 000127091.td-b3lyp_6-31g+(d).log.xz

000127091.td-b3lyp_6-31+g(d).qchem.inp (generated)

000127091.td-b3lyp_6-31+g(d).gjf (generated)

000127091.td-b3lyp_6-31+g(d).firefly.inp (generated)

000127091.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000127091.mol 000127091.PUBCHEM 000127091.mol (via Jmol)
000127092.b3lyp_6-31g(d).inp

000127092.b3lyp_6-31g(d).qchem.inp (generated)

000127092.b3lyp_6-31g(d).gjf (generated)

000127092.b3lyp_6-31g(d).firefly.inp (generated)

000127092.b3lyp_6-31g(d).smash.inp (generated)

000127092.b3lyp_6-31g(d).nwchem.inp (generated) 000127092.b3lyp_6-31g(d).log.xz 000127092.td-b3lyp_6-31g+(d).inp 000127092.td-b3lyp_6-31g+(d).log.xz

000127092.td-b3lyp_6-31+g(d).qchem.inp (generated)

000127092.td-b3lyp_6-31+g(d).gjf (generated)

000127092.td-b3lyp_6-31+g(d).firefly.inp (generated)

000127092.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000127092.mol 000127092.PUBCHEM 000127092.mol (via Jmol)
000127093.b3lyp_6-31g(d).inp

000127093.b3lyp_6-31g(d).qchem.inp (generated)

000127093.b3lyp_6-31g(d).gjf (generated)

000127093.b3lyp_6-31g(d).firefly.inp (generated)

000127093.b3lyp_6-31g(d).smash.inp (generated)

000127093.b3lyp_6-31g(d).nwchem.inp (generated) 000127093.b3lyp_6-31g(d).log.xz 000127093.td-b3lyp_6-31g+(d).inp 000127093.td-b3lyp_6-31g+(d).log.xz

000127093.td-b3lyp_6-31+g(d).qchem.inp (generated)

000127093.td-b3lyp_6-31+g(d).gjf (generated)

000127093.td-b3lyp_6-31+g(d).firefly.inp (generated)

000127093.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000127093.mol 000127093.PUBCHEM 000127093.mol (via Jmol)
000127110.b3lyp_6-31g(d).inp

000127110.b3lyp_6-31g(d).qchem.inp (generated)

000127110.b3lyp_6-31g(d).gjf (generated)

000127110.b3lyp_6-31g(d).firefly.inp (generated)

000127110.b3lyp_6-31g(d).smash.inp (generated)

000127110.b3lyp_6-31g(d).nwchem.inp (generated) 000127110.b3lyp_6-31g(d).log.xz 000127110.td-b3lyp_6-31g+(d).inp 000127110.td-b3lyp_6-31g+(d).log.xz

000127110.td-b3lyp_6-31+g(d).qchem.inp (generated)

000127110.td-b3lyp_6-31+g(d).gjf (generated)

000127110.td-b3lyp_6-31+g(d).firefly.inp (generated)

000127110.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000127110.mol 000127110.PUBCHEM 000127110.mol (via Jmol)
000127115.b3lyp_6-31g(d).inp

000127115.b3lyp_6-31g(d).qchem.inp (generated)

000127115.b3lyp_6-31g(d).gjf (generated)

000127115.b3lyp_6-31g(d).firefly.inp (generated)

000127115.b3lyp_6-31g(d).smash.inp (generated)

000127115.b3lyp_6-31g(d).nwchem.inp (generated) 000127115.b3lyp_6-31g(d).log.xz 000127115.td-b3lyp_6-31g+(d).inp 000127115.td-b3lyp_6-31g+(d).log.xz

000127115.td-b3lyp_6-31+g(d).qchem.inp (generated)

000127115.td-b3lyp_6-31+g(d).gjf (generated)

000127115.td-b3lyp_6-31+g(d).firefly.inp (generated)

000127115.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000127115.mol 000127115.PUBCHEM 000127115.mol (via Jmol)
000127125.b3lyp_6-31g(d).inp

000127125.b3lyp_6-31g(d).qchem.inp (generated)

000127125.b3lyp_6-31g(d).gjf (generated)

000127125.b3lyp_6-31g(d).firefly.inp (generated)

000127125.b3lyp_6-31g(d).smash.inp (generated)

000127125.b3lyp_6-31g(d).nwchem.inp (generated) 000127125.b3lyp_6-31g(d).log.xz 000127125.td-b3lyp_6-31g+(d).inp 000127125.td-b3lyp_6-31g+(d).log.xz

000127125.td-b3lyp_6-31+g(d).qchem.inp (generated)

000127125.td-b3lyp_6-31+g(d).gjf (generated)

000127125.td-b3lyp_6-31+g(d).firefly.inp (generated)

000127125.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000127125.mol 000127125.PUBCHEM 000127125.mol (via Jmol)
000127131.b3lyp_6-31g(d).inp

000127131.b3lyp_6-31g(d).qchem.inp (generated)

000127131.b3lyp_6-31g(d).gjf (generated)

000127131.b3lyp_6-31g(d).firefly.inp (generated)

000127131.b3lyp_6-31g(d).smash.inp (generated)

000127131.b3lyp_6-31g(d).nwchem.inp (generated) 000127131.b3lyp_6-31g(d).log.xz 000127131.mol 000127131.PUBCHEM 000127131.mol (via Jmol)
000127159.b3lyp_6-31g(d).inp

000127159.b3lyp_6-31g(d).qchem.inp (generated)

000127159.b3lyp_6-31g(d).gjf (generated)

000127159.b3lyp_6-31g(d).firefly.inp (generated)

000127159.b3lyp_6-31g(d).smash.inp (generated)

000127159.b3lyp_6-31g(d).nwchem.inp (generated) 000127159.b3lyp_6-31g(d).log.xz 000127159.td-b3lyp_6-31g+(d).inp 000127159.td-b3lyp_6-31g+(d).log.xz

000127159.td-b3lyp_6-31+g(d).qchem.inp (generated)

000127159.td-b3lyp_6-31+g(d).gjf (generated)

000127159.td-b3lyp_6-31+g(d).firefly.inp (generated)

000127159.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000127159.mol 000127159.PUBCHEM 000127159.mol (via Jmol)
000127161.b3lyp_6-31g(d).inp

000127161.b3lyp_6-31g(d).qchem.inp (generated)

000127161.b3lyp_6-31g(d).gjf (generated)

000127161.b3lyp_6-31g(d).firefly.inp (generated)

000127161.b3lyp_6-31g(d).smash.inp (generated)

000127161.b3lyp_6-31g(d).nwchem.inp (generated) 000127161.b3lyp_6-31g(d).log.xz 000127161.td-b3lyp_6-31g+(d).inp 000127161.td-b3lyp_6-31g+(d).log.xz

000127161.td-b3lyp_6-31+g(d).qchem.inp (generated)

000127161.td-b3lyp_6-31+g(d).gjf (generated)

000127161.td-b3lyp_6-31+g(d).firefly.inp (generated)

000127161.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000127161.mol 000127161.PUBCHEM 000127161.mol (via Jmol)
000127169.b3lyp_6-31g(d).inp

000127169.b3lyp_6-31g(d).qchem.inp (generated)

000127169.b3lyp_6-31g(d).gjf (generated)

000127169.b3lyp_6-31g(d).firefly.inp (generated)

000127169.b3lyp_6-31g(d).smash.inp (generated)

000127169.b3lyp_6-31g(d).nwchem.inp (generated) 000127169.b3lyp_6-31g(d).log.xz 000127169.td-b3lyp_6-31g+(d).inp 000127169.td-b3lyp_6-31g+(d).log.xz

000127169.td-b3lyp_6-31+g(d).qchem.inp (generated)

000127169.td-b3lyp_6-31+g(d).gjf (generated)

000127169.td-b3lyp_6-31+g(d).firefly.inp (generated)

000127169.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000127169.mol 000127169.PUBCHEM 000127169.mol (via Jmol)
000127170.b3lyp_6-31g(d).inp

000127170.b3lyp_6-31g(d).qchem.inp (generated)

000127170.b3lyp_6-31g(d).gjf (generated)

000127170.b3lyp_6-31g(d).firefly.inp (generated)

000127170.b3lyp_6-31g(d).smash.inp (generated)

000127170.b3lyp_6-31g(d).nwchem.inp (generated) 000127170.b3lyp_6-31g(d).log.xz 000127170.td-b3lyp_6-31g+(d).inp 000127170.td-b3lyp_6-31g+(d).log.xz

000127170.td-b3lyp_6-31+g(d).qchem.inp (generated)

000127170.td-b3lyp_6-31+g(d).gjf (generated)

000127170.td-b3lyp_6-31+g(d).firefly.inp (generated)

000127170.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000127170.mol 000127170.PUBCHEM 000127170.mol (via Jmol)
000127171.b3lyp_6-31g(d).inp

000127171.b3lyp_6-31g(d).qchem.inp (generated)

000127171.b3lyp_6-31g(d).gjf (generated)

000127171.b3lyp_6-31g(d).firefly.inp (generated)

000127171.b3lyp_6-31g(d).smash.inp (generated)

000127171.b3lyp_6-31g(d).nwchem.inp (generated) 000127171.b3lyp_6-31g(d).log.xz 000127171.td-b3lyp_6-31g+(d).inp 000127171.td-b3lyp_6-31g+(d).log.xz

000127171.td-b3lyp_6-31+g(d).qchem.inp (generated)

000127171.td-b3lyp_6-31+g(d).gjf (generated)

000127171.td-b3lyp_6-31+g(d).firefly.inp (generated)

000127171.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000127171.mol 000127171.PUBCHEM 000127171.mol (via Jmol)
000127199.b3lyp_6-31g(d).inp

000127199.b3lyp_6-31g(d).qchem.inp (generated)

000127199.b3lyp_6-31g(d).gjf (generated)

000127199.b3lyp_6-31g(d).firefly.inp (generated)

000127199.b3lyp_6-31g(d).smash.inp (generated)

000127199.b3lyp_6-31g(d).nwchem.inp (generated) 000127199.b3lyp_6-31g(d).log.xz 000127199.td-b3lyp_6-31g+(d).inp 000127199.td-b3lyp_6-31g+(d).log.xz

000127199.td-b3lyp_6-31+g(d).qchem.inp (generated)

000127199.td-b3lyp_6-31+g(d).gjf (generated)

000127199.td-b3lyp_6-31+g(d).firefly.inp (generated)

000127199.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000127199.mol 000127199.PUBCHEM 000127199.mol (via Jmol)
000127204.b3lyp_6-31g(d).inp

000127204.b3lyp_6-31g(d).qchem.inp (generated)

000127204.b3lyp_6-31g(d).gjf (generated)

000127204.b3lyp_6-31g(d).firefly.inp (generated)

000127204.b3lyp_6-31g(d).smash.inp (generated)

000127204.b3lyp_6-31g(d).nwchem.inp (generated) 000127204.b3lyp_6-31g(d).log.xz 000127204.td-b3lyp_6-31g+(d).inp 000127204.td-b3lyp_6-31g+(d).log.xz

000127204.td-b3lyp_6-31+g(d).qchem.inp (generated)

000127204.td-b3lyp_6-31+g(d).gjf (generated)

000127204.td-b3lyp_6-31+g(d).firefly.inp (generated)

000127204.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000127204.mol 000127204.PUBCHEM 000127204.mol (via Jmol)
000127219.b3lyp_6-31g(d).inp

000127219.b3lyp_6-31g(d).qchem.inp (generated)

000127219.b3lyp_6-31g(d).gjf (generated)

000127219.b3lyp_6-31g(d).firefly.inp (generated)

000127219.b3lyp_6-31g(d).smash.inp (generated)

000127219.b3lyp_6-31g(d).nwchem.inp (generated) 000127219.b3lyp_6-31g(d).log.xz 000127219.td-b3lyp_6-31g+(d).inp 000127219.td-b3lyp_6-31g+(d).log.xz

000127219.td-b3lyp_6-31+g(d).qchem.inp (generated)

000127219.td-b3lyp_6-31+g(d).gjf (generated)

000127219.td-b3lyp_6-31+g(d).firefly.inp (generated)

000127219.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000127219.mol 000127219.PUBCHEM 000127219.mol (via Jmol)
000127230.b3lyp_6-31g(d).inp

000127230.b3lyp_6-31g(d).qchem.inp (generated)

000127230.b3lyp_6-31g(d).gjf (generated)

000127230.b3lyp_6-31g(d).firefly.inp (generated)

000127230.b3lyp_6-31g(d).smash.inp (generated)

000127230.b3lyp_6-31g(d).nwchem.inp (generated) 000127230.b3lyp_6-31g(d).log.xz 000127230.td-b3lyp_6-31g+(d).inp 000127230.td-b3lyp_6-31g+(d).log.xz

000127230.td-b3lyp_6-31+g(d).qchem.inp (generated)

000127230.td-b3lyp_6-31+g(d).gjf (generated)

000127230.td-b3lyp_6-31+g(d).firefly.inp (generated)

000127230.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000127230.mol 000127230.PUBCHEM 000127230.mol (via Jmol)
000127247.b3lyp_6-31g(d).inp

000127247.b3lyp_6-31g(d).qchem.inp (generated)

000127247.b3lyp_6-31g(d).gjf (generated)

000127247.b3lyp_6-31g(d).firefly.inp (generated)

000127247.b3lyp_6-31g(d).smash.inp (generated)

000127247.b3lyp_6-31g(d).nwchem.inp (generated) 000127247.b3lyp_6-31g(d).log.xz 000127247.td-b3lyp_6-31g+(d).inp 000127247.td-b3lyp_6-31g+(d).log.xz

000127247.td-b3lyp_6-31+g(d).qchem.inp (generated)

000127247.td-b3lyp_6-31+g(d).gjf (generated)

000127247.td-b3lyp_6-31+g(d).firefly.inp (generated)

000127247.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000127247.mol 000127247.PUBCHEM 000127247.mol (via Jmol)
000127257.b3lyp_6-31g(d).inp

000127257.b3lyp_6-31g(d).qchem.inp (generated)

000127257.b3lyp_6-31g(d).gjf (generated)

000127257.b3lyp_6-31g(d).firefly.inp (generated)

000127257.b3lyp_6-31g(d).smash.inp (generated)

000127257.b3lyp_6-31g(d).nwchem.inp (generated) 000127257.b3lyp_6-31g(d).log.xz 000127257.td-b3lyp_6-31g+(d).inp 000127257.td-b3lyp_6-31g+(d).log.xz

000127257.td-b3lyp_6-31+g(d).qchem.inp (generated)

000127257.td-b3lyp_6-31+g(d).gjf (generated)

000127257.td-b3lyp_6-31+g(d).firefly.inp (generated)

000127257.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000127257.mol 000127257.PUBCHEM 000127257.mol (via Jmol)
000127268.b3lyp_6-31g(d).inp

000127268.b3lyp_6-31g(d).qchem.inp (generated)

000127268.b3lyp_6-31g(d).gjf (generated)

000127268.b3lyp_6-31g(d).firefly.inp (generated)

000127268.b3lyp_6-31g(d).smash.inp (generated)

000127268.b3lyp_6-31g(d).nwchem.inp (generated) 000127268.b3lyp_6-31g(d).log.xz 000127268.td-b3lyp_6-31g+(d).inp 000127268.td-b3lyp_6-31g+(d).log.xz

000127268.td-b3lyp_6-31+g(d).qchem.inp (generated)

000127268.td-b3lyp_6-31+g(d).gjf (generated)

000127268.td-b3lyp_6-31+g(d).firefly.inp (generated)

000127268.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000127268.mol 000127268.PUBCHEM 000127268.mol (via Jmol)
000127283.b3lyp_6-31g(d).inp

000127283.b3lyp_6-31g(d).qchem.inp (generated)

000127283.b3lyp_6-31g(d).gjf (generated)

000127283.b3lyp_6-31g(d).firefly.inp (generated)

000127283.b3lyp_6-31g(d).smash.inp (generated)

000127283.b3lyp_6-31g(d).nwchem.inp (generated) 000127283.b3lyp_6-31g(d).log.xz 000127283.mol 000127283.PUBCHEM 000127283.mol (via Jmol)
000127295.b3lyp_6-31g(d).inp

000127295.b3lyp_6-31g(d).qchem.inp (generated)

000127295.b3lyp_6-31g(d).gjf (generated)

000127295.b3lyp_6-31g(d).firefly.inp (generated)

000127295.b3lyp_6-31g(d).smash.inp (generated)

000127295.b3lyp_6-31g(d).nwchem.inp (generated) 000127295.b3lyp_6-31g(d).log.xz 000127295.td-b3lyp_6-31g+(d).inp 000127295.td-b3lyp_6-31g+(d).log.xz

000127295.td-b3lyp_6-31+g(d).qchem.inp (generated)

000127295.td-b3lyp_6-31+g(d).gjf (generated)

000127295.td-b3lyp_6-31+g(d).firefly.inp (generated)

000127295.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000127295.mol 000127295.PUBCHEM 000127295.mol (via Jmol)
000127325.b3lyp_6-31g(d).inp

000127325.b3lyp_6-31g(d).qchem.inp (generated)

000127325.b3lyp_6-31g(d).gjf (generated)

000127325.b3lyp_6-31g(d).firefly.inp (generated)

000127325.b3lyp_6-31g(d).smash.inp (generated)

000127325.b3lyp_6-31g(d).nwchem.inp (generated) 000127325.b3lyp_6-31g(d).log.xz 000127325.mol 000127325.PUBCHEM 000127325.mol (via Jmol)
000127327.b3lyp_6-31g(d).inp

000127327.b3lyp_6-31g(d).qchem.inp (generated)

000127327.b3lyp_6-31g(d).gjf (generated)

000127327.b3lyp_6-31g(d).firefly.inp (generated)

000127327.b3lyp_6-31g(d).smash.inp (generated)

000127327.b3lyp_6-31g(d).nwchem.inp (generated) 000127327.b3lyp_6-31g(d).log.xz 000127327.td-b3lyp_6-31g+(d).inp 000127327.td-b3lyp_6-31g+(d).log.xz

000127327.td-b3lyp_6-31+g(d).qchem.inp (generated)

000127327.td-b3lyp_6-31+g(d).gjf (generated)

000127327.td-b3lyp_6-31+g(d).firefly.inp (generated)

000127327.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000127327.mol 000127327.PUBCHEM 000127327.mol (via Jmol)
000127342.b3lyp_6-31g(d).inp

000127342.b3lyp_6-31g(d).qchem.inp (generated)

000127342.b3lyp_6-31g(d).gjf (generated)

000127342.b3lyp_6-31g(d).firefly.inp (generated)

000127342.b3lyp_6-31g(d).smash.inp (generated)

000127342.b3lyp_6-31g(d).nwchem.inp (generated) 000127342.b3lyp_6-31g(d).log.xz 000127342.mol 000127342.PUBCHEM 000127342.mol (via Jmol)
000127345.b3lyp_6-31g(d).inp

000127345.b3lyp_6-31g(d).qchem.inp (generated)

000127345.b3lyp_6-31g(d).gjf (generated)

000127345.b3lyp_6-31g(d).firefly.inp (generated)

000127345.b3lyp_6-31g(d).smash.inp (generated)

000127345.b3lyp_6-31g(d).nwchem.inp (generated) 000127345.b3lyp_6-31g(d).log.xz 000127345.mol 000127345.PUBCHEM 000127345.mol (via Jmol)
000127358.b3lyp_6-31g(d).inp

000127358.b3lyp_6-31g(d).qchem.inp (generated)

000127358.b3lyp_6-31g(d).gjf (generated)

000127358.b3lyp_6-31g(d).firefly.inp (generated)

000127358.b3lyp_6-31g(d).smash.inp (generated)

000127358.b3lyp_6-31g(d).nwchem.inp (generated) 000127358.b3lyp_6-31g(d).log.xz 000127358.mol 000127358.PUBCHEM 000127358.mol (via Jmol)
000127370.b3lyp_6-31g(d).inp

000127370.b3lyp_6-31g(d).qchem.inp (generated)

000127370.b3lyp_6-31g(d).gjf (generated)

000127370.b3lyp_6-31g(d).firefly.inp (generated)

000127370.b3lyp_6-31g(d).smash.inp (generated)

000127370.b3lyp_6-31g(d).nwchem.inp (generated) 000127370.b3lyp_6-31g(d).log.xz 000127370.mol 000127370.PUBCHEM 000127370.mol (via Jmol)
000127374.b3lyp_6-31g(d).inp

000127374.b3lyp_6-31g(d).qchem.inp (generated)

000127374.b3lyp_6-31g(d).gjf (generated)

000127374.b3lyp_6-31g(d).firefly.inp (generated)

000127374.b3lyp_6-31g(d).smash.inp (generated)

000127374.b3lyp_6-31g(d).nwchem.inp (generated) 000127374.b3lyp_6-31g(d).log.xz 000127374.td-b3lyp_6-31g+(d).inp 000127374.td-b3lyp_6-31g+(d).log.xz

000127374.td-b3lyp_6-31+g(d).qchem.inp (generated)

000127374.td-b3lyp_6-31+g(d).gjf (generated)

000127374.td-b3lyp_6-31+g(d).firefly.inp (generated)

000127374.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000127374.mol 000127374.PUBCHEM 000127374.mol (via Jmol)
000127381.b3lyp_6-31g(d).inp

000127381.b3lyp_6-31g(d).qchem.inp (generated)

000127381.b3lyp_6-31g(d).gjf (generated)

000127381.b3lyp_6-31g(d).firefly.inp (generated)

000127381.b3lyp_6-31g(d).smash.inp (generated)

000127381.b3lyp_6-31g(d).nwchem.inp (generated) 000127381.b3lyp_6-31g(d).log.xz 000127381.td-b3lyp_6-31g+(d).inp 000127381.td-b3lyp_6-31g+(d).log.xz

000127381.td-b3lyp_6-31+g(d).qchem.inp (generated)

000127381.td-b3lyp_6-31+g(d).gjf (generated)

000127381.td-b3lyp_6-31+g(d).firefly.inp (generated)

000127381.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000127381.mol 000127381.PUBCHEM 000127381.mol (via Jmol)
000127423.b3lyp_6-31g(d).inp

000127423.b3lyp_6-31g(d).qchem.inp (generated)

000127423.b3lyp_6-31g(d).gjf (generated)

000127423.b3lyp_6-31g(d).firefly.inp (generated)

000127423.b3lyp_6-31g(d).smash.inp (generated)

000127423.b3lyp_6-31g(d).nwchem.inp (generated) 000127423.b3lyp_6-31g(d).log.xz 000127423.td-b3lyp_6-31g+(d).inp 000127423.td-b3lyp_6-31g+(d).log.xz

000127423.td-b3lyp_6-31+g(d).qchem.inp (generated)

000127423.td-b3lyp_6-31+g(d).gjf (generated)

000127423.td-b3lyp_6-31+g(d).firefly.inp (generated)

000127423.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000127423.mol 000127423.PUBCHEM 000127423.mol (via Jmol)
000127425.b3lyp_6-31g(d).inp

000127425.b3lyp_6-31g(d).qchem.inp (generated)

000127425.b3lyp_6-31g(d).gjf (generated)

000127425.b3lyp_6-31g(d).firefly.inp (generated)

000127425.b3lyp_6-31g(d).smash.inp (generated)

000127425.b3lyp_6-31g(d).nwchem.inp (generated) 000127425.b3lyp_6-31g(d).log.xz 000127425.mol 000127425.PUBCHEM 000127425.mol (via Jmol)
000127432.b3lyp_6-31g(d).inp

000127432.b3lyp_6-31g(d).qchem.inp (generated)

000127432.b3lyp_6-31g(d).gjf (generated)

000127432.b3lyp_6-31g(d).firefly.inp (generated)

000127432.b3lyp_6-31g(d).smash.inp (generated)

000127432.b3lyp_6-31g(d).nwchem.inp (generated) 000127432.b3lyp_6-31g(d).log.xz 000127432.td-b3lyp_6-31g+(d).inp 000127432.td-b3lyp_6-31g+(d).log.xz

000127432.td-b3lyp_6-31+g(d).qchem.inp (generated)

000127432.td-b3lyp_6-31+g(d).gjf (generated)

000127432.td-b3lyp_6-31+g(d).firefly.inp (generated)

000127432.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000127432.mol 000127432.PUBCHEM 000127432.mol (via Jmol)
000127439.b3lyp_6-31g(d).inp

000127439.b3lyp_6-31g(d).qchem.inp (generated)

000127439.b3lyp_6-31g(d).gjf (generated)

000127439.b3lyp_6-31g(d).firefly.inp (generated)

000127439.b3lyp_6-31g(d).smash.inp (generated)

000127439.b3lyp_6-31g(d).nwchem.inp (generated) 000127439.b3lyp_6-31g(d).log.xz 000127439.td-b3lyp_6-31g+(d).inp 000127439.td-b3lyp_6-31g+(d).log.xz

000127439.td-b3lyp_6-31+g(d).qchem.inp (generated)

000127439.td-b3lyp_6-31+g(d).gjf (generated)

000127439.td-b3lyp_6-31+g(d).firefly.inp (generated)

000127439.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000127439.mol 000127439.PUBCHEM 000127439.mol (via Jmol)
000127455.b3lyp_6-31g(d).inp

000127455.b3lyp_6-31g(d).qchem.inp (generated)

000127455.b3lyp_6-31g(d).gjf (generated)

000127455.b3lyp_6-31g(d).firefly.inp (generated)

000127455.b3lyp_6-31g(d).smash.inp (generated)

000127455.b3lyp_6-31g(d).nwchem.inp (generated) 000127455.b3lyp_6-31g(d).log.xz 000127455.td-b3lyp_6-31g+(d).inp 000127455.td-b3lyp_6-31g+(d).log.xz

000127455.td-b3lyp_6-31+g(d).qchem.inp (generated)

000127455.td-b3lyp_6-31+g(d).gjf (generated)

000127455.td-b3lyp_6-31+g(d).firefly.inp (generated)

000127455.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000127455.mol 000127455.PUBCHEM 000127455.mol (via Jmol)
000127456.b3lyp_6-31g(d).inp

000127456.b3lyp_6-31g(d).qchem.inp (generated)

000127456.b3lyp_6-31g(d).gjf (generated)

000127456.b3lyp_6-31g(d).firefly.inp (generated)

000127456.b3lyp_6-31g(d).smash.inp (generated)

000127456.b3lyp_6-31g(d).nwchem.inp (generated) 000127456.b3lyp_6-31g(d).log.xz 000127456.td-b3lyp_6-31g+(d).inp 000127456.td-b3lyp_6-31g+(d).log.xz

000127456.td-b3lyp_6-31+g(d).qchem.inp (generated)

000127456.td-b3lyp_6-31+g(d).gjf (generated)

000127456.td-b3lyp_6-31+g(d).firefly.inp (generated)

000127456.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000127456.mol 000127456.PUBCHEM 000127456.mol (via Jmol)
000127458.b3lyp_6-31g(d).inp

000127458.b3lyp_6-31g(d).qchem.inp (generated)

000127458.b3lyp_6-31g(d).gjf (generated)

000127458.b3lyp_6-31g(d).firefly.inp (generated)

000127458.b3lyp_6-31g(d).smash.inp (generated)

000127458.b3lyp_6-31g(d).nwchem.inp (generated) 000127458.b3lyp_6-31g(d).log.xz 000127458.mol 000127458.PUBCHEM 000127458.mol (via Jmol)
000127476.b3lyp_6-31g(d).inp

000127476.b3lyp_6-31g(d).qchem.inp (generated)

000127476.b3lyp_6-31g(d).gjf (generated)

000127476.b3lyp_6-31g(d).firefly.inp (generated)

000127476.b3lyp_6-31g(d).smash.inp (generated)

000127476.b3lyp_6-31g(d).nwchem.inp (generated) 000127476.b3lyp_6-31g(d).log.xz 000127476.td-b3lyp_6-31g+(d).inp 000127476.td-b3lyp_6-31g+(d).log.xz

000127476.td-b3lyp_6-31+g(d).qchem.inp (generated)

000127476.td-b3lyp_6-31+g(d).gjf (generated)

000127476.td-b3lyp_6-31+g(d).firefly.inp (generated)

000127476.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000127476.mol 000127476.PUBCHEM 000127476.mol (via Jmol)
000127481.b3lyp_6-31g(d).inp

000127481.b3lyp_6-31g(d).qchem.inp (generated)

000127481.b3lyp_6-31g(d).gjf (generated)

000127481.b3lyp_6-31g(d).firefly.inp (generated)

000127481.b3lyp_6-31g(d).smash.inp (generated)

000127481.b3lyp_6-31g(d).nwchem.inp (generated) 000127481.b3lyp_6-31g(d).log.xz 000127481.td-b3lyp_6-31g+(d).inp 000127481.td-b3lyp_6-31g+(d).log.xz

000127481.td-b3lyp_6-31+g(d).qchem.inp (generated)

000127481.td-b3lyp_6-31+g(d).gjf (generated)

000127481.td-b3lyp_6-31+g(d).firefly.inp (generated)

000127481.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000127481.mol 000127481.PUBCHEM 000127481.mol (via Jmol)
000127490.b3lyp_6-31g(d).inp

000127490.b3lyp_6-31g(d).qchem.inp (generated)

000127490.b3lyp_6-31g(d).gjf (generated)

000127490.b3lyp_6-31g(d).firefly.inp (generated)

000127490.b3lyp_6-31g(d).smash.inp (generated)

000127490.b3lyp_6-31g(d).nwchem.inp (generated) 000127490.b3lyp_6-31g(d).log.xz 000127490.td-b3lyp_6-31g+(d).inp 000127490.td-b3lyp_6-31g+(d).log.xz

000127490.td-b3lyp_6-31+g(d).qchem.inp (generated)

000127490.td-b3lyp_6-31+g(d).gjf (generated)

000127490.td-b3lyp_6-31+g(d).firefly.inp (generated)

000127490.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000127490.mol 000127490.PUBCHEM 000127490.mol (via Jmol)
000127493.b3lyp_6-31g(d).inp

000127493.b3lyp_6-31g(d).qchem.inp (generated)

000127493.b3lyp_6-31g(d).gjf (generated)

000127493.b3lyp_6-31g(d).firefly.inp (generated)

000127493.b3lyp_6-31g(d).smash.inp (generated)

000127493.b3lyp_6-31g(d).nwchem.inp (generated) 000127493.b3lyp_6-31g(d).log.xz 000127493.td-b3lyp_6-31g+(d).inp 000127493.td-b3lyp_6-31g+(d).log.xz

000127493.td-b3lyp_6-31+g(d).qchem.inp (generated)

000127493.td-b3lyp_6-31+g(d).gjf (generated)

000127493.td-b3lyp_6-31+g(d).firefly.inp (generated)

000127493.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000127493.mol 000127493.PUBCHEM 000127493.mol (via Jmol)
000127495.b3lyp_6-31g(d).inp

000127495.b3lyp_6-31g(d).qchem.inp (generated)

000127495.b3lyp_6-31g(d).gjf (generated)

000127495.b3lyp_6-31g(d).firefly.inp (generated)

000127495.b3lyp_6-31g(d).smash.inp (generated)

000127495.b3lyp_6-31g(d).nwchem.inp (generated) 000127495.b3lyp_6-31g(d).log.xz 000127495.td-b3lyp_6-31g+(d).inp 000127495.td-b3lyp_6-31g+(d).log.xz

000127495.td-b3lyp_6-31+g(d).qchem.inp (generated)

000127495.td-b3lyp_6-31+g(d).gjf (generated)

000127495.td-b3lyp_6-31+g(d).firefly.inp (generated)

000127495.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000127495.mol 000127495.PUBCHEM 000127495.mol (via Jmol)
000127499.b3lyp_6-31g(d).inp

000127499.b3lyp_6-31g(d).qchem.inp (generated)

000127499.b3lyp_6-31g(d).gjf (generated)

000127499.b3lyp_6-31g(d).firefly.inp (generated)

000127499.b3lyp_6-31g(d).smash.inp (generated)

000127499.b3lyp_6-31g(d).nwchem.inp (generated) 000127499.b3lyp_6-31g(d).log.xz 000127499.td-b3lyp_6-31g+(d).inp 000127499.td-b3lyp_6-31g+(d).log.xz

000127499.td-b3lyp_6-31+g(d).qchem.inp (generated)

000127499.td-b3lyp_6-31+g(d).gjf (generated)

000127499.td-b3lyp_6-31+g(d).firefly.inp (generated)

000127499.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000127499.mol 000127499.PUBCHEM 000127499.mol (via Jmol)
000127502.b3lyp_6-31g(d).inp

000127502.b3lyp_6-31g(d).qchem.inp (generated)

000127502.b3lyp_6-31g(d).gjf (generated)

000127502.b3lyp_6-31g(d).firefly.inp (generated)

000127502.b3lyp_6-31g(d).smash.inp (generated)

000127502.b3lyp_6-31g(d).nwchem.inp (generated) 000127502.b3lyp_6-31g(d).log.xz 000127502.td-b3lyp_6-31g+(d).inp 000127502.td-b3lyp_6-31g+(d).log.xz

000127502.td-b3lyp_6-31+g(d).qchem.inp (generated)

000127502.td-b3lyp_6-31+g(d).gjf (generated)

000127502.td-b3lyp_6-31+g(d).firefly.inp (generated)

000127502.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000127502.mol 000127502.PUBCHEM 000127502.mol (via Jmol)
000127524.b3lyp_6-31g(d).inp

000127524.b3lyp_6-31g(d).qchem.inp (generated)

000127524.b3lyp_6-31g(d).gjf (generated)

000127524.b3lyp_6-31g(d).firefly.inp (generated)

000127524.b3lyp_6-31g(d).smash.inp (generated)

000127524.b3lyp_6-31g(d).nwchem.inp (generated) 000127524.b3lyp_6-31g(d).log.xz 000127524.td-b3lyp_6-31g+(d).inp 000127524.td-b3lyp_6-31g+(d).log.xz

000127524.td-b3lyp_6-31+g(d).qchem.inp (generated)

000127524.td-b3lyp_6-31+g(d).gjf (generated)

000127524.td-b3lyp_6-31+g(d).firefly.inp (generated)

000127524.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000127524.mol 000127524.PUBCHEM 000127524.mol (via Jmol)
000127532.b3lyp_6-31g(d).inp

000127532.b3lyp_6-31g(d).qchem.inp (generated)

000127532.b3lyp_6-31g(d).gjf (generated)

000127532.b3lyp_6-31g(d).firefly.inp (generated)

000127532.b3lyp_6-31g(d).smash.inp (generated)

000127532.b3lyp_6-31g(d).nwchem.inp (generated) 000127532.b3lyp_6-31g(d).log.xz 000127532.td-b3lyp_6-31g+(d).inp 000127532.td-b3lyp_6-31g+(d).log.xz

000127532.td-b3lyp_6-31+g(d).qchem.inp (generated)

000127532.td-b3lyp_6-31+g(d).gjf (generated)

000127532.td-b3lyp_6-31+g(d).firefly.inp (generated)

000127532.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000127532.mol 000127532.PUBCHEM 000127532.mol (via Jmol)
000127533.b3lyp_6-31g(d).inp

000127533.b3lyp_6-31g(d).qchem.inp (generated)

000127533.b3lyp_6-31g(d).gjf (generated)

000127533.b3lyp_6-31g(d).firefly.inp (generated)

000127533.b3lyp_6-31g(d).smash.inp (generated)

000127533.b3lyp_6-31g(d).nwchem.inp (generated) 000127533.b3lyp_6-31g(d).log.xz 000127533.td-b3lyp_6-31g+(d).inp 000127533.td-b3lyp_6-31g+(d).log.xz

000127533.td-b3lyp_6-31+g(d).qchem.inp (generated)

000127533.td-b3lyp_6-31+g(d).gjf (generated)

000127533.td-b3lyp_6-31+g(d).firefly.inp (generated)

000127533.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000127533.mol 000127533.PUBCHEM 000127533.mol (via Jmol)
000127540.b3lyp_6-31g(d).inp

000127540.b3lyp_6-31g(d).qchem.inp (generated)

000127540.b3lyp_6-31g(d).gjf (generated)

000127540.b3lyp_6-31g(d).firefly.inp (generated)

000127540.b3lyp_6-31g(d).smash.inp (generated)

000127540.b3lyp_6-31g(d).nwchem.inp (generated) 000127540.b3lyp_6-31g(d).log.xz 000127540.td-b3lyp_6-31g+(d).inp 000127540.td-b3lyp_6-31g+(d).log.xz

000127540.td-b3lyp_6-31+g(d).qchem.inp (generated)

000127540.td-b3lyp_6-31+g(d).gjf (generated)

000127540.td-b3lyp_6-31+g(d).firefly.inp (generated)

000127540.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000127540.mol 000127540.PUBCHEM 000127540.mol (via Jmol)
000127543.b3lyp_6-31g(d).inp

000127543.b3lyp_6-31g(d).qchem.inp (generated)

000127543.b3lyp_6-31g(d).gjf (generated)

000127543.b3lyp_6-31g(d).firefly.inp (generated)

000127543.b3lyp_6-31g(d).smash.inp (generated)

000127543.b3lyp_6-31g(d).nwchem.inp (generated) 000127543.b3lyp_6-31g(d).log.xz 000127543.td-b3lyp_6-31g+(d).inp 000127543.td-b3lyp_6-31g+(d).log.xz

000127543.td-b3lyp_6-31+g(d).qchem.inp (generated)

000127543.td-b3lyp_6-31+g(d).gjf (generated)

000127543.td-b3lyp_6-31+g(d).firefly.inp (generated)

000127543.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000127543.mol 000127543.PUBCHEM 000127543.mol (via Jmol)
000127546.b3lyp_6-31g(d).inp

000127546.b3lyp_6-31g(d).qchem.inp (generated)

000127546.b3lyp_6-31g(d).gjf (generated)

000127546.b3lyp_6-31g(d).firefly.inp (generated)

000127546.b3lyp_6-31g(d).smash.inp (generated)

000127546.b3lyp_6-31g(d).nwchem.inp (generated) 000127546.b3lyp_6-31g(d).log.xz 000127546.td-b3lyp_6-31g+(d).inp 000127546.td-b3lyp_6-31g+(d).log.xz

000127546.td-b3lyp_6-31+g(d).qchem.inp (generated)

000127546.td-b3lyp_6-31+g(d).gjf (generated)

000127546.td-b3lyp_6-31+g(d).firefly.inp (generated)

000127546.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000127546.mol 000127546.PUBCHEM 000127546.mol (via Jmol)
000127572.b3lyp_6-31g(d).inp

000127572.b3lyp_6-31g(d).qchem.inp (generated)

000127572.b3lyp_6-31g(d).gjf (generated)

000127572.b3lyp_6-31g(d).firefly.inp (generated)

000127572.b3lyp_6-31g(d).smash.inp (generated)

000127572.b3lyp_6-31g(d).nwchem.inp (generated) 000127572.b3lyp_6-31g(d).log.xz 000127572.mol 000127572.PUBCHEM 000127572.mol (via Jmol)
000127574.b3lyp_6-31g(d).inp

000127574.b3lyp_6-31g(d).qchem.inp (generated)

000127574.b3lyp_6-31g(d).gjf (generated)

000127574.b3lyp_6-31g(d).firefly.inp (generated)

000127574.b3lyp_6-31g(d).smash.inp (generated)

000127574.b3lyp_6-31g(d).nwchem.inp (generated) 000127574.b3lyp_6-31g(d).log.xz 000127574.td-b3lyp_6-31g+(d).inp 000127574.td-b3lyp_6-31g+(d).log.xz

000127574.td-b3lyp_6-31+g(d).qchem.inp (generated)

000127574.td-b3lyp_6-31+g(d).gjf (generated)

000127574.td-b3lyp_6-31+g(d).firefly.inp (generated)

000127574.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000127574.mol 000127574.PUBCHEM 000127574.mol (via Jmol)
000127575.b3lyp_6-31g(d).inp

000127575.b3lyp_6-31g(d).qchem.inp (generated)

000127575.b3lyp_6-31g(d).gjf (generated)

000127575.b3lyp_6-31g(d).firefly.inp (generated)

000127575.b3lyp_6-31g(d).smash.inp (generated)

000127575.b3lyp_6-31g(d).nwchem.inp (generated) 000127575.b3lyp_6-31g(d).log.xz 000127575.td-b3lyp_6-31g+(d).inp 000127575.td-b3lyp_6-31g+(d).log.xz

000127575.td-b3lyp_6-31+g(d).qchem.inp (generated)

000127575.td-b3lyp_6-31+g(d).gjf (generated)

000127575.td-b3lyp_6-31+g(d).firefly.inp (generated)

000127575.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000127575.mol 000127575.PUBCHEM 000127575.mol (via Jmol)
000127576.b3lyp_6-31g(d).inp

000127576.b3lyp_6-31g(d).qchem.inp (generated)

000127576.b3lyp_6-31g(d).gjf (generated)

000127576.b3lyp_6-31g(d).firefly.inp (generated)

000127576.b3lyp_6-31g(d).smash.inp (generated)

000127576.b3lyp_6-31g(d).nwchem.inp (generated) 000127576.b3lyp_6-31g(d).log.xz 000127576.td-b3lyp_6-31g+(d).inp 000127576.td-b3lyp_6-31g+(d).log.xz

000127576.td-b3lyp_6-31+g(d).qchem.inp (generated)

000127576.td-b3lyp_6-31+g(d).gjf (generated)

000127576.td-b3lyp_6-31+g(d).firefly.inp (generated)

000127576.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000127576.mol 000127576.PUBCHEM 000127576.mol (via Jmol)
000127579.b3lyp_6-31g(d).inp

000127579.b3lyp_6-31g(d).qchem.inp (generated)

000127579.b3lyp_6-31g(d).gjf (generated)

000127579.b3lyp_6-31g(d).firefly.inp (generated)

000127579.b3lyp_6-31g(d).smash.inp (generated)

000127579.b3lyp_6-31g(d).nwchem.inp (generated) 000127579.b3lyp_6-31g(d).log.xz 000127579.td-b3lyp_6-31g+(d).inp 000127579.td-b3lyp_6-31g+(d).log.xz

000127579.td-b3lyp_6-31+g(d).qchem.inp (generated)

000127579.td-b3lyp_6-31+g(d).gjf (generated)

000127579.td-b3lyp_6-31+g(d).firefly.inp (generated)

000127579.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000127579.mol 000127579.PUBCHEM 000127579.mol (via Jmol)
000127588.b3lyp_6-31g(d).inp

000127588.b3lyp_6-31g(d).qchem.inp (generated)

000127588.b3lyp_6-31g(d).gjf (generated)

000127588.b3lyp_6-31g(d).firefly.inp (generated)

000127588.b3lyp_6-31g(d).smash.inp (generated)

000127588.b3lyp_6-31g(d).nwchem.inp (generated) 000127588.b3lyp_6-31g(d).log.xz 000127588.td-b3lyp_6-31g+(d).inp 000127588.td-b3lyp_6-31g+(d).log.xz

000127588.td-b3lyp_6-31+g(d).qchem.inp (generated)

000127588.td-b3lyp_6-31+g(d).gjf (generated)

000127588.td-b3lyp_6-31+g(d).firefly.inp (generated)

000127588.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000127588.mol 000127588.PUBCHEM 000127588.mol (via Jmol)
000127590.b3lyp_6-31g(d).inp

000127590.b3lyp_6-31g(d).qchem.inp (generated)

000127590.b3lyp_6-31g(d).gjf (generated)

000127590.b3lyp_6-31g(d).firefly.inp (generated)

000127590.b3lyp_6-31g(d).smash.inp (generated)

000127590.b3lyp_6-31g(d).nwchem.inp (generated) 000127590.b3lyp_6-31g(d).log.xz 000127590.td-b3lyp_6-31g+(d).inp 000127590.td-b3lyp_6-31g+(d).log.xz

000127590.td-b3lyp_6-31+g(d).qchem.inp (generated)

000127590.td-b3lyp_6-31+g(d).gjf (generated)

000127590.td-b3lyp_6-31+g(d).firefly.inp (generated)

000127590.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000127590.mol 000127590.PUBCHEM 000127590.mol (via Jmol)
000127602.b3lyp_6-31g(d).inp

000127602.b3lyp_6-31g(d).qchem.inp (generated)

000127602.b3lyp_6-31g(d).gjf (generated)

000127602.b3lyp_6-31g(d).firefly.inp (generated)

000127602.b3lyp_6-31g(d).smash.inp (generated)

000127602.b3lyp_6-31g(d).nwchem.inp (generated) 000127602.b3lyp_6-31g(d).log.xz 000127602.td-b3lyp_6-31g+(d).inp 000127602.td-b3lyp_6-31g+(d).log.xz

000127602.td-b3lyp_6-31+g(d).qchem.inp (generated)

000127602.td-b3lyp_6-31+g(d).gjf (generated)

000127602.td-b3lyp_6-31+g(d).firefly.inp (generated)

000127602.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000127602.mol 000127602.PUBCHEM 000127602.mol (via Jmol)
000127603.b3lyp_6-31g(d).inp

000127603.b3lyp_6-31g(d).qchem.inp (generated)

000127603.b3lyp_6-31g(d).gjf (generated)

000127603.b3lyp_6-31g(d).firefly.inp (generated)

000127603.b3lyp_6-31g(d).smash.inp (generated)

000127603.b3lyp_6-31g(d).nwchem.inp (generated) 000127603.b3lyp_6-31g(d).log.xz 000127603.td-b3lyp_6-31g+(d).inp 000127603.td-b3lyp_6-31g+(d).log.xz

000127603.td-b3lyp_6-31+g(d).qchem.inp (generated)

000127603.td-b3lyp_6-31+g(d).gjf (generated)

000127603.td-b3lyp_6-31+g(d).firefly.inp (generated)

000127603.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000127603.mol 000127603.PUBCHEM 000127603.mol (via Jmol)
000127614.b3lyp_6-31g(d).inp

000127614.b3lyp_6-31g(d).qchem.inp (generated)

000127614.b3lyp_6-31g(d).gjf (generated)

000127614.b3lyp_6-31g(d).firefly.inp (generated)

000127614.b3lyp_6-31g(d).smash.inp (generated)

000127614.b3lyp_6-31g(d).nwchem.inp (generated) 000127614.b3lyp_6-31g(d).log.xz 000127614.td-b3lyp_6-31g+(d).inp 000127614.td-b3lyp_6-31g+(d).log.xz

000127614.td-b3lyp_6-31+g(d).qchem.inp (generated)

000127614.td-b3lyp_6-31+g(d).gjf (generated)

000127614.td-b3lyp_6-31+g(d).firefly.inp (generated)

000127614.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000127614.mol 000127614.PUBCHEM 000127614.mol (via Jmol)
000127639.b3lyp_6-31g(d).inp

000127639.b3lyp_6-31g(d).qchem.inp (generated)

000127639.b3lyp_6-31g(d).gjf (generated)

000127639.b3lyp_6-31g(d).firefly.inp (generated)

000127639.b3lyp_6-31g(d).smash.inp (generated)

000127639.b3lyp_6-31g(d).nwchem.inp (generated) 000127639.b3lyp_6-31g(d).log.xz 000127639.td-b3lyp_6-31g+(d).inp 000127639.td-b3lyp_6-31g+(d).log.xz

000127639.td-b3lyp_6-31+g(d).qchem.inp (generated)

000127639.td-b3lyp_6-31+g(d).gjf (generated)

000127639.td-b3lyp_6-31+g(d).firefly.inp (generated)

000127639.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000127639.mol 000127639.PUBCHEM 000127639.mol (via Jmol)
000127649.b3lyp_6-31g(d).inp

000127649.b3lyp_6-31g(d).qchem.inp (generated)

000127649.b3lyp_6-31g(d).gjf (generated)

000127649.b3lyp_6-31g(d).firefly.inp (generated)

000127649.b3lyp_6-31g(d).smash.inp (generated)

000127649.b3lyp_6-31g(d).nwchem.inp (generated) 000127649.b3lyp_6-31g(d).log.xz 000127649.td-b3lyp_6-31g+(d).inp 000127649.td-b3lyp_6-31g+(d).log.xz

000127649.td-b3lyp_6-31+g(d).qchem.inp (generated)

000127649.td-b3lyp_6-31+g(d).gjf (generated)

000127649.td-b3lyp_6-31+g(d).firefly.inp (generated)

000127649.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000127649.mol 000127649.PUBCHEM 000127649.mol (via Jmol)
000127677.b3lyp_6-31g(d).inp

000127677.b3lyp_6-31g(d).qchem.inp (generated)

000127677.b3lyp_6-31g(d).gjf (generated)

000127677.b3lyp_6-31g(d).firefly.inp (generated)

000127677.b3lyp_6-31g(d).smash.inp (generated)

000127677.b3lyp_6-31g(d).nwchem.inp (generated) 000127677.b3lyp_6-31g(d).log.xz 000127677.td-b3lyp_6-31g+(d).inp 000127677.td-b3lyp_6-31g+(d).log.xz

000127677.td-b3lyp_6-31+g(d).qchem.inp (generated)

000127677.td-b3lyp_6-31+g(d).gjf (generated)

000127677.td-b3lyp_6-31+g(d).firefly.inp (generated)

000127677.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000127677.mol 000127677.PUBCHEM 000127677.mol (via Jmol)
000127716.b3lyp_6-31g(d).inp

000127716.b3lyp_6-31g(d).qchem.inp (generated)

000127716.b3lyp_6-31g(d).gjf (generated)

000127716.b3lyp_6-31g(d).firefly.inp (generated)

000127716.b3lyp_6-31g(d).smash.inp (generated)

000127716.b3lyp_6-31g(d).nwchem.inp (generated) 000127716.b3lyp_6-31g(d).log.xz 000127716.td-b3lyp_6-31g+(d).inp 000127716.td-b3lyp_6-31g+(d).log.xz

000127716.td-b3lyp_6-31+g(d).qchem.inp (generated)

000127716.td-b3lyp_6-31+g(d).gjf (generated)

000127716.td-b3lyp_6-31+g(d).firefly.inp (generated)

000127716.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000127716.mol 000127716.PUBCHEM 000127716.mol (via Jmol)
000127739.b3lyp_6-31g(d).inp

000127739.b3lyp_6-31g(d).qchem.inp (generated)

000127739.b3lyp_6-31g(d).gjf (generated)

000127739.b3lyp_6-31g(d).firefly.inp (generated)

000127739.b3lyp_6-31g(d).smash.inp (generated)

000127739.b3lyp_6-31g(d).nwchem.inp (generated) 000127739.b3lyp_6-31g(d).log.xz 000127739.td-b3lyp_6-31g+(d).inp 000127739.td-b3lyp_6-31g+(d).log.xz

000127739.td-b3lyp_6-31+g(d).qchem.inp (generated)

000127739.td-b3lyp_6-31+g(d).gjf (generated)

000127739.td-b3lyp_6-31+g(d).firefly.inp (generated)

000127739.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000127739.mol 000127739.PUBCHEM 000127739.mol (via Jmol)
000127744.b3lyp_6-31g(d).inp

000127744.b3lyp_6-31g(d).qchem.inp (generated)

000127744.b3lyp_6-31g(d).gjf (generated)

000127744.b3lyp_6-31g(d).firefly.inp (generated)

000127744.b3lyp_6-31g(d).smash.inp (generated)

000127744.b3lyp_6-31g(d).nwchem.inp (generated) 000127744.b3lyp_6-31g(d).log.xz 000127744.td-b3lyp_6-31g+(d).inp 000127744.td-b3lyp_6-31g+(d).log.xz

000127744.td-b3lyp_6-31+g(d).qchem.inp (generated)

000127744.td-b3lyp_6-31+g(d).gjf (generated)

000127744.td-b3lyp_6-31+g(d).firefly.inp (generated)

000127744.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000127744.mol 000127744.PUBCHEM 000127744.mol (via Jmol)
000127747.b3lyp_6-31g(d).inp

000127747.b3lyp_6-31g(d).qchem.inp (generated)

000127747.b3lyp_6-31g(d).gjf (generated)

000127747.b3lyp_6-31g(d).firefly.inp (generated)

000127747.b3lyp_6-31g(d).smash.inp (generated)

000127747.b3lyp_6-31g(d).nwchem.inp (generated) 000127747.b3lyp_6-31g(d).log.xz 000127747.td-b3lyp_6-31g+(d).inp 000127747.td-b3lyp_6-31g+(d).log.xz

000127747.td-b3lyp_6-31+g(d).qchem.inp (generated)

000127747.td-b3lyp_6-31+g(d).gjf (generated)

000127747.td-b3lyp_6-31+g(d).firefly.inp (generated)

000127747.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000127747.mol 000127747.PUBCHEM 000127747.mol (via Jmol)
000127752.b3lyp_6-31g(d).inp

000127752.b3lyp_6-31g(d).qchem.inp (generated)

000127752.b3lyp_6-31g(d).gjf (generated)

000127752.b3lyp_6-31g(d).firefly.inp (generated)

000127752.b3lyp_6-31g(d).smash.inp (generated)

000127752.b3lyp_6-31g(d).nwchem.inp (generated) 000127752.b3lyp_6-31g(d).log.xz 000127752.td-b3lyp_6-31g+(d).inp 000127752.td-b3lyp_6-31g+(d).log.xz

000127752.td-b3lyp_6-31+g(d).qchem.inp (generated)

000127752.td-b3lyp_6-31+g(d).gjf (generated)

000127752.td-b3lyp_6-31+g(d).firefly.inp (generated)

000127752.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000127752.mol 000127752.PUBCHEM 000127752.mol (via Jmol)
000127761.b3lyp_6-31g(d).inp

000127761.b3lyp_6-31g(d).qchem.inp (generated)

000127761.b3lyp_6-31g(d).gjf (generated)

000127761.b3lyp_6-31g(d).firefly.inp (generated)

000127761.b3lyp_6-31g(d).smash.inp (generated)

000127761.b3lyp_6-31g(d).nwchem.inp (generated) 000127761.b3lyp_6-31g(d).log.xz 000127761.td-b3lyp_6-31g+(d).inp 000127761.td-b3lyp_6-31g+(d).log.xz

000127761.td-b3lyp_6-31+g(d).qchem.inp (generated)

000127761.td-b3lyp_6-31+g(d).gjf (generated)

000127761.td-b3lyp_6-31+g(d).firefly.inp (generated)

000127761.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000127761.mol 000127761.PUBCHEM 000127761.mol (via Jmol)
000127774.b3lyp_6-31g(d).inp

000127774.b3lyp_6-31g(d).qchem.inp (generated)

000127774.b3lyp_6-31g(d).gjf (generated)

000127774.b3lyp_6-31g(d).firefly.inp (generated)

000127774.b3lyp_6-31g(d).smash.inp (generated)

000127774.b3lyp_6-31g(d).nwchem.inp (generated) 000127774.b3lyp_6-31g(d).log.xz 000127774.td-b3lyp_6-31g+(d).inp 000127774.td-b3lyp_6-31g+(d).log.xz

000127774.td-b3lyp_6-31+g(d).qchem.inp (generated)

000127774.td-b3lyp_6-31+g(d).gjf (generated)

000127774.td-b3lyp_6-31+g(d).firefly.inp (generated)

000127774.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000127774.mol 000127774.PUBCHEM 000127774.mol (via Jmol)
000127826.b3lyp_6-31g(d).inp

000127826.b3lyp_6-31g(d).qchem.inp (generated)

000127826.b3lyp_6-31g(d).gjf (generated)

000127826.b3lyp_6-31g(d).firefly.inp (generated)

000127826.b3lyp_6-31g(d).smash.inp (generated)

000127826.b3lyp_6-31g(d).nwchem.inp (generated) 000127826.b3lyp_6-31g(d).log.xz 000127826.td-b3lyp_6-31g+(d).inp 000127826.td-b3lyp_6-31g+(d).log.xz

000127826.td-b3lyp_6-31+g(d).qchem.inp (generated)

000127826.td-b3lyp_6-31+g(d).gjf (generated)

000127826.td-b3lyp_6-31+g(d).firefly.inp (generated)

000127826.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000127826.mol 000127826.PUBCHEM 000127826.mol (via Jmol)
000127830.b3lyp_6-31g(d).inp

000127830.b3lyp_6-31g(d).qchem.inp (generated)

000127830.b3lyp_6-31g(d).gjf (generated)

000127830.b3lyp_6-31g(d).firefly.inp (generated)

000127830.b3lyp_6-31g(d).smash.inp (generated)

000127830.b3lyp_6-31g(d).nwchem.inp (generated) 000127830.b3lyp_6-31g(d).log.xz 000127830.td-b3lyp_6-31g+(d).inp 000127830.td-b3lyp_6-31g+(d).log.xz

000127830.td-b3lyp_6-31+g(d).qchem.inp (generated)

000127830.td-b3lyp_6-31+g(d).gjf (generated)

000127830.td-b3lyp_6-31+g(d).firefly.inp (generated)

000127830.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000127830.mol 000127830.PUBCHEM 000127830.mol (via Jmol)
000127831.b3lyp_6-31g(d).inp

000127831.b3lyp_6-31g(d).qchem.inp (generated)

000127831.b3lyp_6-31g(d).gjf (generated)

000127831.b3lyp_6-31g(d).firefly.inp (generated)

000127831.b3lyp_6-31g(d).smash.inp (generated)

000127831.b3lyp_6-31g(d).nwchem.inp (generated) 000127831.b3lyp_6-31g(d).log.xz 000127831.td-b3lyp_6-31g+(d).inp 000127831.td-b3lyp_6-31g+(d).log.xz

000127831.td-b3lyp_6-31+g(d).qchem.inp (generated)

000127831.td-b3lyp_6-31+g(d).gjf (generated)

000127831.td-b3lyp_6-31+g(d).firefly.inp (generated)

000127831.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000127831.mol 000127831.PUBCHEM 000127831.mol (via Jmol)
000127837.b3lyp_6-31g(d).inp

000127837.b3lyp_6-31g(d).qchem.inp (generated)

000127837.b3lyp_6-31g(d).gjf (generated)

000127837.b3lyp_6-31g(d).firefly.inp (generated)

000127837.b3lyp_6-31g(d).smash.inp (generated)

000127837.b3lyp_6-31g(d).nwchem.inp (generated) 000127837.b3lyp_6-31g(d).log.xz 000127837.td-b3lyp_6-31g+(d).inp 000127837.td-b3lyp_6-31g+(d).log.xz

000127837.td-b3lyp_6-31+g(d).qchem.inp (generated)

000127837.td-b3lyp_6-31+g(d).gjf (generated)

000127837.td-b3lyp_6-31+g(d).firefly.inp (generated)

000127837.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000127837.mol 000127837.PUBCHEM 000127837.mol (via Jmol)
000127838.b3lyp_6-31g(d).inp

000127838.b3lyp_6-31g(d).qchem.inp (generated)

000127838.b3lyp_6-31g(d).gjf (generated)

000127838.b3lyp_6-31g(d).firefly.inp (generated)

000127838.b3lyp_6-31g(d).smash.inp (generated)

000127838.b3lyp_6-31g(d).nwchem.inp (generated) 000127838.b3lyp_6-31g(d).log.xz 000127838.td-b3lyp_6-31g+(d).inp 000127838.td-b3lyp_6-31g+(d).log.xz

000127838.td-b3lyp_6-31+g(d).qchem.inp (generated)

000127838.td-b3lyp_6-31+g(d).gjf (generated)

000127838.td-b3lyp_6-31+g(d).firefly.inp (generated)

000127838.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000127838.mol 000127838.PUBCHEM 000127838.mol (via Jmol)
000127846.b3lyp_6-31g(d).inp

000127846.b3lyp_6-31g(d).qchem.inp (generated)

000127846.b3lyp_6-31g(d).gjf (generated)

000127846.b3lyp_6-31g(d).firefly.inp (generated)

000127846.b3lyp_6-31g(d).smash.inp (generated)

000127846.b3lyp_6-31g(d).nwchem.inp (generated) 000127846.b3lyp_6-31g(d).log.xz 000127846.td-b3lyp_6-31g+(d).inp 000127846.td-b3lyp_6-31g+(d).log.xz

000127846.td-b3lyp_6-31+g(d).qchem.inp (generated)

000127846.td-b3lyp_6-31+g(d).gjf (generated)

000127846.td-b3lyp_6-31+g(d).firefly.inp (generated)

000127846.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000127846.mol 000127846.PUBCHEM 000127846.mol (via Jmol)
000127854.b3lyp_6-31g(d).inp

000127854.b3lyp_6-31g(d).qchem.inp (generated)

000127854.b3lyp_6-31g(d).gjf (generated)

000127854.b3lyp_6-31g(d).firefly.inp (generated)

000127854.b3lyp_6-31g(d).smash.inp (generated)

000127854.b3lyp_6-31g(d).nwchem.inp (generated) 000127854.b3lyp_6-31g(d).log.xz 000127854.td-b3lyp_6-31g+(d).inp 000127854.td-b3lyp_6-31g+(d).log.xz

000127854.td-b3lyp_6-31+g(d).qchem.inp (generated)

000127854.td-b3lyp_6-31+g(d).gjf (generated)

000127854.td-b3lyp_6-31+g(d).firefly.inp (generated)

000127854.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000127854.mol 000127854.PUBCHEM 000127854.mol (via Jmol)
000127868.b3lyp_6-31g(d).inp

000127868.b3lyp_6-31g(d).qchem.inp (generated)

000127868.b3lyp_6-31g(d).gjf (generated)

000127868.b3lyp_6-31g(d).firefly.inp (generated)

000127868.b3lyp_6-31g(d).smash.inp (generated)

000127868.b3lyp_6-31g(d).nwchem.inp (generated) 000127868.b3lyp_6-31g(d).log.xz 000127868.td-b3lyp_6-31g+(d).inp 000127868.td-b3lyp_6-31g+(d).log.xz

000127868.td-b3lyp_6-31+g(d).qchem.inp (generated)

000127868.td-b3lyp_6-31+g(d).gjf (generated)

000127868.td-b3lyp_6-31+g(d).firefly.inp (generated)

000127868.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000127868.mol 000127868.PUBCHEM 000127868.mol (via Jmol)
000127888.b3lyp_6-31g(d).inp

000127888.b3lyp_6-31g(d).qchem.inp (generated)

000127888.b3lyp_6-31g(d).gjf (generated)

000127888.b3lyp_6-31g(d).firefly.inp (generated)

000127888.b3lyp_6-31g(d).smash.inp (generated)

000127888.b3lyp_6-31g(d).nwchem.inp (generated) 000127888.b3lyp_6-31g(d).log.xz 000127888.td-b3lyp_6-31g+(d).inp 000127888.td-b3lyp_6-31g+(d).log.xz

000127888.td-b3lyp_6-31+g(d).qchem.inp (generated)

000127888.td-b3lyp_6-31+g(d).gjf (generated)

000127888.td-b3lyp_6-31+g(d).firefly.inp (generated)

000127888.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000127888.mol 000127888.PUBCHEM 000127888.mol (via Jmol)
000127889.b3lyp_6-31g(d).inp

000127889.b3lyp_6-31g(d).qchem.inp (generated)

000127889.b3lyp_6-31g(d).gjf (generated)

000127889.b3lyp_6-31g(d).firefly.inp (generated)

000127889.b3lyp_6-31g(d).smash.inp (generated)

000127889.b3lyp_6-31g(d).nwchem.inp (generated) 000127889.b3lyp_6-31g(d).log.xz 000127889.td-b3lyp_6-31g+(d).inp 000127889.td-b3lyp_6-31g+(d).log.xz

000127889.td-b3lyp_6-31+g(d).qchem.inp (generated)

000127889.td-b3lyp_6-31+g(d).gjf (generated)

000127889.td-b3lyp_6-31+g(d).firefly.inp (generated)

000127889.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000127889.mol 000127889.PUBCHEM 000127889.mol (via Jmol)
000127897.b3lyp_6-31g(d).inp

000127897.b3lyp_6-31g(d).qchem.inp (generated)

000127897.b3lyp_6-31g(d).gjf (generated)

000127897.b3lyp_6-31g(d).firefly.inp (generated)

000127897.b3lyp_6-31g(d).smash.inp (generated)

000127897.b3lyp_6-31g(d).nwchem.inp (generated) 000127897.b3lyp_6-31g(d).log.xz 000127897.td-b3lyp_6-31g+(d).inp 000127897.td-b3lyp_6-31g+(d).log.xz

000127897.td-b3lyp_6-31+g(d).qchem.inp (generated)

000127897.td-b3lyp_6-31+g(d).gjf (generated)

000127897.td-b3lyp_6-31+g(d).firefly.inp (generated)

000127897.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000127897.mol 000127897.PUBCHEM 000127897.mol (via Jmol)
000127899.b3lyp_6-31g(d).inp

000127899.b3lyp_6-31g(d).qchem.inp (generated)

000127899.b3lyp_6-31g(d).gjf (generated)

000127899.b3lyp_6-31g(d).firefly.inp (generated)

000127899.b3lyp_6-31g(d).smash.inp (generated)

000127899.b3lyp_6-31g(d).nwchem.inp (generated) 000127899.b3lyp_6-31g(d).log.xz 000127899.td-b3lyp_6-31g+(d).inp 000127899.td-b3lyp_6-31g+(d).log.xz

000127899.td-b3lyp_6-31+g(d).qchem.inp (generated)

000127899.td-b3lyp_6-31+g(d).gjf (generated)

000127899.td-b3lyp_6-31+g(d).firefly.inp (generated)

000127899.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000127899.mol 000127899.PUBCHEM 000127899.mol (via Jmol)
000127901.b3lyp_6-31g(d).inp

000127901.b3lyp_6-31g(d).qchem.inp (generated)

000127901.b3lyp_6-31g(d).gjf (generated)

000127901.b3lyp_6-31g(d).firefly.inp (generated)

000127901.b3lyp_6-31g(d).smash.inp (generated)

000127901.b3lyp_6-31g(d).nwchem.inp (generated) 000127901.b3lyp_6-31g(d).log.xz 000127901.td-b3lyp_6-31g+(d).inp 000127901.td-b3lyp_6-31g+(d).log.xz

000127901.td-b3lyp_6-31+g(d).qchem.inp (generated)

000127901.td-b3lyp_6-31+g(d).gjf (generated)

000127901.td-b3lyp_6-31+g(d).firefly.inp (generated)

000127901.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000127901.mol 000127901.PUBCHEM 000127901.mol (via Jmol)
000127904.b3lyp_6-31g(d).inp

000127904.b3lyp_6-31g(d).qchem.inp (generated)

000127904.b3lyp_6-31g(d).gjf (generated)

000127904.b3lyp_6-31g(d).firefly.inp (generated)

000127904.b3lyp_6-31g(d).smash.inp (generated)

000127904.b3lyp_6-31g(d).nwchem.inp (generated) 000127904.b3lyp_6-31g(d).log.xz 000127904.td-b3lyp_6-31g+(d).inp 000127904.td-b3lyp_6-31g+(d).log.xz

000127904.td-b3lyp_6-31+g(d).qchem.inp (generated)

000127904.td-b3lyp_6-31+g(d).gjf (generated)

000127904.td-b3lyp_6-31+g(d).firefly.inp (generated)

000127904.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000127904.mol 000127904.PUBCHEM 000127904.mol (via Jmol)
000127922.b3lyp_6-31g(d).inp

000127922.b3lyp_6-31g(d).qchem.inp (generated)

000127922.b3lyp_6-31g(d).gjf (generated)

000127922.b3lyp_6-31g(d).firefly.inp (generated)

000127922.b3lyp_6-31g(d).smash.inp (generated)

000127922.b3lyp_6-31g(d).nwchem.inp (generated) 000127922.b3lyp_6-31g(d).log.xz 000127922.td-b3lyp_6-31g+(d).inp 000127922.td-b3lyp_6-31g+(d).log.xz

000127922.td-b3lyp_6-31+g(d).qchem.inp (generated)

000127922.td-b3lyp_6-31+g(d).gjf (generated)

000127922.td-b3lyp_6-31+g(d).firefly.inp (generated)

000127922.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000127922.mol 000127922.PUBCHEM 000127922.mol (via Jmol)
000127925.b3lyp_6-31g(d).inp

000127925.b3lyp_6-31g(d).qchem.inp (generated)

000127925.b3lyp_6-31g(d).gjf (generated)

000127925.b3lyp_6-31g(d).firefly.inp (generated)

000127925.b3lyp_6-31g(d).smash.inp (generated)

000127925.b3lyp_6-31g(d).nwchem.inp (generated) 000127925.b3lyp_6-31g(d).log.xz 000127925.mol 000127925.PUBCHEM 000127925.mol (via Jmol)
000127933.b3lyp_6-31g(d).inp

000127933.b3lyp_6-31g(d).qchem.inp (generated)

000127933.b3lyp_6-31g(d).gjf (generated)

000127933.b3lyp_6-31g(d).firefly.inp (generated)

000127933.b3lyp_6-31g(d).smash.inp (generated)

000127933.b3lyp_6-31g(d).nwchem.inp (generated) 000127933.b3lyp_6-31g(d).log.xz 000127933.mol 000127933.PUBCHEM 000127933.mol (via Jmol)
000127949.b3lyp_6-31g(d).inp

000127949.b3lyp_6-31g(d).qchem.inp (generated)

000127949.b3lyp_6-31g(d).gjf (generated)

000127949.b3lyp_6-31g(d).firefly.inp (generated)

000127949.b3lyp_6-31g(d).smash.inp (generated)

000127949.b3lyp_6-31g(d).nwchem.inp (generated) 000127949.b3lyp_6-31g(d).log.xz 000127949.td-b3lyp_6-31g+(d).inp 000127949.td-b3lyp_6-31g+(d).log.xz

000127949.td-b3lyp_6-31+g(d).qchem.inp (generated)

000127949.td-b3lyp_6-31+g(d).gjf (generated)

000127949.td-b3lyp_6-31+g(d).firefly.inp (generated)

000127949.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000127949.mol 000127949.PUBCHEM 000127949.mol (via Jmol)
000127951.b3lyp_6-31g(d).inp

000127951.b3lyp_6-31g(d).qchem.inp (generated)

000127951.b3lyp_6-31g(d).gjf (generated)

000127951.b3lyp_6-31g(d).firefly.inp (generated)

000127951.b3lyp_6-31g(d).smash.inp (generated)

000127951.b3lyp_6-31g(d).nwchem.inp (generated) 000127951.b3lyp_6-31g(d).log.xz 000127951.mol 000127951.PUBCHEM 000127951.mol (via Jmol)
000127995.b3lyp_6-31g(d).inp

000127995.b3lyp_6-31g(d).qchem.inp (generated)

000127995.b3lyp_6-31g(d).gjf (generated)

000127995.b3lyp_6-31g(d).firefly.inp (generated)

000127995.b3lyp_6-31g(d).smash.inp (generated)

000127995.b3lyp_6-31g(d).nwchem.inp (generated) 000127995.b3lyp_6-31g(d).log.xz 000127995.td-b3lyp_6-31g+(d).inp 000127995.td-b3lyp_6-31g+(d).log.xz

000127995.td-b3lyp_6-31+g(d).qchem.inp (generated)

000127995.td-b3lyp_6-31+g(d).gjf (generated)

000127995.td-b3lyp_6-31+g(d).firefly.inp (generated)

000127995.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000127995.mol 000127995.PUBCHEM 000127995.mol (via Jmol)
000127997.b3lyp_6-31g(d).inp

000127997.b3lyp_6-31g(d).qchem.inp (generated)

000127997.b3lyp_6-31g(d).gjf (generated)

000127997.b3lyp_6-31g(d).firefly.inp (generated)

000127997.b3lyp_6-31g(d).smash.inp (generated)

000127997.b3lyp_6-31g(d).nwchem.inp (generated) 000127997.b3lyp_6-31g(d).log.xz 000127997.td-b3lyp_6-31g+(d).inp 000127997.td-b3lyp_6-31g+(d).log.xz

000127997.td-b3lyp_6-31+g(d).qchem.inp (generated)

000127997.td-b3lyp_6-31+g(d).gjf (generated)

000127997.td-b3lyp_6-31+g(d).firefly.inp (generated)

000127997.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000127997.mol 000127997.PUBCHEM 000127997.mol (via Jmol)
000128000.b3lyp_6-31g(d).inp

000128000.b3lyp_6-31g(d).qchem.inp (generated)

000128000.b3lyp_6-31g(d).gjf (generated)

000128000.b3lyp_6-31g(d).firefly.inp (generated)

000128000.b3lyp_6-31g(d).smash.inp (generated)

000128000.b3lyp_6-31g(d).nwchem.inp (generated) 000128000.b3lyp_6-31g(d).log.xz 000128000.td-b3lyp_6-31g+(d).inp 000128000.td-b3lyp_6-31g+(d).log.xz

000128000.td-b3lyp_6-31+g(d).qchem.inp (generated)

000128000.td-b3lyp_6-31+g(d).gjf (generated)

000128000.td-b3lyp_6-31+g(d).firefly.inp (generated)

000128000.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000128000.mol 000128000.PUBCHEM 000128000.mol (via Jmol)
000128015.b3lyp_6-31g(d).inp

000128015.b3lyp_6-31g(d).qchem.inp (generated)

000128015.b3lyp_6-31g(d).gjf (generated)

000128015.b3lyp_6-31g(d).firefly.inp (generated)

000128015.b3lyp_6-31g(d).smash.inp (generated)

000128015.b3lyp_6-31g(d).nwchem.inp (generated) 000128015.b3lyp_6-31g(d).log.xz 000128015.mol 000128015.PUBCHEM 000128015.mol (via Jmol)
000128023.b3lyp_6-31g(d).inp

000128023.b3lyp_6-31g(d).qchem.inp (generated)

000128023.b3lyp_6-31g(d).gjf (generated)

000128023.b3lyp_6-31g(d).firefly.inp (generated)

000128023.b3lyp_6-31g(d).smash.inp (generated)

000128023.b3lyp_6-31g(d).nwchem.inp (generated) 000128023.b3lyp_6-31g(d).log.xz 000128023.td-b3lyp_6-31g+(d).inp 000128023.td-b3lyp_6-31g+(d).log.xz

000128023.td-b3lyp_6-31+g(d).qchem.inp (generated)

000128023.td-b3lyp_6-31+g(d).gjf (generated)

000128023.td-b3lyp_6-31+g(d).firefly.inp (generated)

000128023.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000128023.mol 000128023.PUBCHEM 000128023.mol (via Jmol)
000128025.b3lyp_6-31g(d).inp

000128025.b3lyp_6-31g(d).qchem.inp (generated)

000128025.b3lyp_6-31g(d).gjf (generated)

000128025.b3lyp_6-31g(d).firefly.inp (generated)

000128025.b3lyp_6-31g(d).smash.inp (generated)

000128025.b3lyp_6-31g(d).nwchem.inp (generated) 000128025.b3lyp_6-31g(d).log.xz 000128025.td-b3lyp_6-31g+(d).inp 000128025.td-b3lyp_6-31g+(d).log.xz

000128025.td-b3lyp_6-31+g(d).qchem.inp (generated)

000128025.td-b3lyp_6-31+g(d).gjf (generated)

000128025.td-b3lyp_6-31+g(d).firefly.inp (generated)

000128025.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000128025.mol 000128025.PUBCHEM 000128025.mol (via Jmol)
000128026.b3lyp_6-31g(d).inp

000128026.b3lyp_6-31g(d).qchem.inp (generated)

000128026.b3lyp_6-31g(d).gjf (generated)

000128026.b3lyp_6-31g(d).firefly.inp (generated)

000128026.b3lyp_6-31g(d).smash.inp (generated)

000128026.b3lyp_6-31g(d).nwchem.inp (generated) 000128026.b3lyp_6-31g(d).log.xz 000128026.td-b3lyp_6-31g+(d).inp 000128026.td-b3lyp_6-31g+(d).log.xz

000128026.td-b3lyp_6-31+g(d).qchem.inp (generated)

000128026.td-b3lyp_6-31+g(d).gjf (generated)

000128026.td-b3lyp_6-31+g(d).firefly.inp (generated)

000128026.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000128026.mol 000128026.PUBCHEM 000128026.mol (via Jmol)
000128036.b3lyp_6-31g(d).inp

000128036.b3lyp_6-31g(d).qchem.inp (generated)

000128036.b3lyp_6-31g(d).gjf (generated)

000128036.b3lyp_6-31g(d).firefly.inp (generated)

000128036.b3lyp_6-31g(d).smash.inp (generated)

000128036.b3lyp_6-31g(d).nwchem.inp (generated) 000128036.b3lyp_6-31g(d).log.xz 000128036.td-b3lyp_6-31g+(d).inp 000128036.td-b3lyp_6-31g+(d).log.xz

000128036.td-b3lyp_6-31+g(d).qchem.inp (generated)

000128036.td-b3lyp_6-31+g(d).gjf (generated)

000128036.td-b3lyp_6-31+g(d).firefly.inp (generated)

000128036.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000128036.mol 000128036.PUBCHEM 000128036.mol (via Jmol)
000128038.b3lyp_6-31g(d).inp

000128038.b3lyp_6-31g(d).qchem.inp (generated)

000128038.b3lyp_6-31g(d).gjf (generated)

000128038.b3lyp_6-31g(d).firefly.inp (generated)

000128038.b3lyp_6-31g(d).smash.inp (generated)

000128038.b3lyp_6-31g(d).nwchem.inp (generated) 000128038.b3lyp_6-31g(d).log.xz 000128038.td-b3lyp_6-31g+(d).inp 000128038.td-b3lyp_6-31g+(d).log.xz

000128038.td-b3lyp_6-31+g(d).qchem.inp (generated)

000128038.td-b3lyp_6-31+g(d).gjf (generated)

000128038.td-b3lyp_6-31+g(d).firefly.inp (generated)

000128038.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000128038.mol 000128038.PUBCHEM 000128038.mol (via Jmol)
000128040.b3lyp_6-31g(d).inp

000128040.b3lyp_6-31g(d).qchem.inp (generated)

000128040.b3lyp_6-31g(d).gjf (generated)

000128040.b3lyp_6-31g(d).firefly.inp (generated)

000128040.b3lyp_6-31g(d).smash.inp (generated)

000128040.b3lyp_6-31g(d).nwchem.inp (generated) 000128040.b3lyp_6-31g(d).log.xz 000128040.td-b3lyp_6-31g+(d).inp 000128040.td-b3lyp_6-31g+(d).log.xz

000128040.td-b3lyp_6-31+g(d).qchem.inp (generated)

000128040.td-b3lyp_6-31+g(d).gjf (generated)

000128040.td-b3lyp_6-31+g(d).firefly.inp (generated)

000128040.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000128040.mol 000128040.PUBCHEM 000128040.mol (via Jmol)
000128045.b3lyp_6-31g(d).inp

000128045.b3lyp_6-31g(d).qchem.inp (generated)

000128045.b3lyp_6-31g(d).gjf (generated)

000128045.b3lyp_6-31g(d).firefly.inp (generated)

000128045.b3lyp_6-31g(d).smash.inp (generated)

000128045.b3lyp_6-31g(d).nwchem.inp (generated) 000128045.b3lyp_6-31g(d).log.xz 000128045.td-b3lyp_6-31g+(d).inp 000128045.td-b3lyp_6-31g+(d).log.xz

000128045.td-b3lyp_6-31+g(d).qchem.inp (generated)

000128045.td-b3lyp_6-31+g(d).gjf (generated)

000128045.td-b3lyp_6-31+g(d).firefly.inp (generated)

000128045.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000128045.mol 000128045.PUBCHEM 000128045.mol (via Jmol)
000128049.b3lyp_6-31g(d).inp

000128049.b3lyp_6-31g(d).qchem.inp (generated)

000128049.b3lyp_6-31g(d).gjf (generated)

000128049.b3lyp_6-31g(d).firefly.inp (generated)

000128049.b3lyp_6-31g(d).smash.inp (generated)

000128049.b3lyp_6-31g(d).nwchem.inp (generated) 000128049.b3lyp_6-31g(d).log.xz 000128049.td-b3lyp_6-31g+(d).inp 000128049.td-b3lyp_6-31g+(d).log.xz

000128049.td-b3lyp_6-31+g(d).qchem.inp (generated)

000128049.td-b3lyp_6-31+g(d).gjf (generated)

000128049.td-b3lyp_6-31+g(d).firefly.inp (generated)

000128049.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000128049.mol 000128049.PUBCHEM 000128049.mol (via Jmol)
000128050.b3lyp_6-31g(d).inp

000128050.b3lyp_6-31g(d).qchem.inp (generated)

000128050.b3lyp_6-31g(d).gjf (generated)

000128050.b3lyp_6-31g(d).firefly.inp (generated)

000128050.b3lyp_6-31g(d).smash.inp (generated)

000128050.b3lyp_6-31g(d).nwchem.inp (generated) 000128050.b3lyp_6-31g(d).log.xz 000128050.td-b3lyp_6-31g+(d).inp 000128050.td-b3lyp_6-31g+(d).log.xz

000128050.td-b3lyp_6-31+g(d).qchem.inp (generated)

000128050.td-b3lyp_6-31+g(d).gjf (generated)

000128050.td-b3lyp_6-31+g(d).firefly.inp (generated)

000128050.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000128050.mol 000128050.PUBCHEM 000128050.mol (via Jmol)
000128057.b3lyp_6-31g(d).inp

000128057.b3lyp_6-31g(d).qchem.inp (generated)

000128057.b3lyp_6-31g(d).gjf (generated)

000128057.b3lyp_6-31g(d).firefly.inp (generated)

000128057.b3lyp_6-31g(d).smash.inp (generated)

000128057.b3lyp_6-31g(d).nwchem.inp (generated) 000128057.b3lyp_6-31g(d).log.xz 000128057.td-b3lyp_6-31g+(d).inp 000128057.td-b3lyp_6-31g+(d).log.xz

000128057.td-b3lyp_6-31+g(d).qchem.inp (generated)

000128057.td-b3lyp_6-31+g(d).gjf (generated)

000128057.td-b3lyp_6-31+g(d).firefly.inp (generated)

000128057.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000128057.mol 000128057.PUBCHEM 000128057.mol (via Jmol)
000128058.b3lyp_6-31g(d).inp

000128058.b3lyp_6-31g(d).qchem.inp (generated)

000128058.b3lyp_6-31g(d).gjf (generated)

000128058.b3lyp_6-31g(d).firefly.inp (generated)

000128058.b3lyp_6-31g(d).smash.inp (generated)

000128058.b3lyp_6-31g(d).nwchem.inp (generated) 000128058.b3lyp_6-31g(d).log.xz 000128058.mol 000128058.PUBCHEM 000128058.mol (via Jmol)
000128068.b3lyp_6-31g(d).inp

000128068.b3lyp_6-31g(d).qchem.inp (generated)

000128068.b3lyp_6-31g(d).gjf (generated)

000128068.b3lyp_6-31g(d).firefly.inp (generated)

000128068.b3lyp_6-31g(d).smash.inp (generated)

000128068.b3lyp_6-31g(d).nwchem.inp (generated) 000128068.b3lyp_6-31g(d).log.xz 000128068.td-b3lyp_6-31g+(d).inp 000128068.td-b3lyp_6-31g+(d).log.xz

000128068.td-b3lyp_6-31+g(d).qchem.inp (generated)

000128068.td-b3lyp_6-31+g(d).gjf (generated)

000128068.td-b3lyp_6-31+g(d).firefly.inp (generated)

000128068.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000128068.mol 000128068.PUBCHEM 000128068.mol (via Jmol)
000128101.b3lyp_6-31g(d).inp

000128101.b3lyp_6-31g(d).qchem.inp (generated)

000128101.b3lyp_6-31g(d).gjf (generated)

000128101.b3lyp_6-31g(d).firefly.inp (generated)

000128101.b3lyp_6-31g(d).smash.inp (generated)

000128101.b3lyp_6-31g(d).nwchem.inp (generated) 000128101.b3lyp_6-31g(d).log.xz 000128101.td-b3lyp_6-31g+(d).inp 000128101.td-b3lyp_6-31g+(d).log.xz

000128101.td-b3lyp_6-31+g(d).qchem.inp (generated)

000128101.td-b3lyp_6-31+g(d).gjf (generated)

000128101.td-b3lyp_6-31+g(d).firefly.inp (generated)

000128101.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000128101.mol 000128101.PUBCHEM 000128101.mol (via Jmol)
000128127.b3lyp_6-31g(d).inp

000128127.b3lyp_6-31g(d).qchem.inp (generated)

000128127.b3lyp_6-31g(d).gjf (generated)

000128127.b3lyp_6-31g(d).firefly.inp (generated)

000128127.b3lyp_6-31g(d).smash.inp (generated)

000128127.b3lyp_6-31g(d).nwchem.inp (generated) 000128127.b3lyp_6-31g(d).log.xz 000128127.td-b3lyp_6-31g+(d).inp 000128127.td-b3lyp_6-31g+(d).log.xz

000128127.td-b3lyp_6-31+g(d).qchem.inp (generated)

000128127.td-b3lyp_6-31+g(d).gjf (generated)

000128127.td-b3lyp_6-31+g(d).firefly.inp (generated)

000128127.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000128127.mol 000128127.PUBCHEM 000128127.mol (via Jmol)
000128144.b3lyp_6-31g(d).inp

000128144.b3lyp_6-31g(d).qchem.inp (generated)

000128144.b3lyp_6-31g(d).gjf (generated)

000128144.b3lyp_6-31g(d).firefly.inp (generated)

000128144.b3lyp_6-31g(d).smash.inp (generated)

000128144.b3lyp_6-31g(d).nwchem.inp (generated) 000128144.b3lyp_6-31g(d).log.xz 000128144.td-b3lyp_6-31g+(d).inp 000128144.td-b3lyp_6-31g+(d).log.xz

000128144.td-b3lyp_6-31+g(d).qchem.inp (generated)

000128144.td-b3lyp_6-31+g(d).gjf (generated)

000128144.td-b3lyp_6-31+g(d).firefly.inp (generated)

000128144.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000128144.mol 000128144.PUBCHEM 000128144.mol (via Jmol)
000128156.b3lyp_6-31g(d).inp

000128156.b3lyp_6-31g(d).qchem.inp (generated)

000128156.b3lyp_6-31g(d).gjf (generated)

000128156.b3lyp_6-31g(d).firefly.inp (generated)

000128156.b3lyp_6-31g(d).smash.inp (generated)

000128156.b3lyp_6-31g(d).nwchem.inp (generated) 000128156.b3lyp_6-31g(d).log.xz 000128156.td-b3lyp_6-31g+(d).inp 000128156.td-b3lyp_6-31g+(d).log.xz

000128156.td-b3lyp_6-31+g(d).qchem.inp (generated)

000128156.td-b3lyp_6-31+g(d).gjf (generated)

000128156.td-b3lyp_6-31+g(d).firefly.inp (generated)

000128156.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000128156.mol 000128156.PUBCHEM 000128156.mol (via Jmol)
000128159.b3lyp_6-31g(d).inp

000128159.b3lyp_6-31g(d).qchem.inp (generated)

000128159.b3lyp_6-31g(d).gjf (generated)

000128159.b3lyp_6-31g(d).firefly.inp (generated)

000128159.b3lyp_6-31g(d).smash.inp (generated)

000128159.b3lyp_6-31g(d).nwchem.inp (generated) 000128159.b3lyp_6-31g(d).log.xz 000128159.td-b3lyp_6-31g+(d).inp 000128159.td-b3lyp_6-31g+(d).log.xz

000128159.td-b3lyp_6-31+g(d).qchem.inp (generated)

000128159.td-b3lyp_6-31+g(d).gjf (generated)

000128159.td-b3lyp_6-31+g(d).firefly.inp (generated)

000128159.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000128159.mol 000128159.PUBCHEM 000128159.mol (via Jmol)
000128181.b3lyp_6-31g(d).inp

000128181.b3lyp_6-31g(d).qchem.inp (generated)

000128181.b3lyp_6-31g(d).gjf (generated)

000128181.b3lyp_6-31g(d).firefly.inp (generated)

000128181.b3lyp_6-31g(d).smash.inp (generated)

000128181.b3lyp_6-31g(d).nwchem.inp (generated) 000128181.b3lyp_6-31g(d).log.xz 000128181.td-b3lyp_6-31g+(d).inp 000128181.td-b3lyp_6-31g+(d).log.xz

000128181.td-b3lyp_6-31+g(d).qchem.inp (generated)

000128181.td-b3lyp_6-31+g(d).gjf (generated)

000128181.td-b3lyp_6-31+g(d).firefly.inp (generated)

000128181.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000128181.mol 000128181.PUBCHEM 000128181.mol (via Jmol)
000128182.b3lyp_6-31g(d).inp

000128182.b3lyp_6-31g(d).qchem.inp (generated)

000128182.b3lyp_6-31g(d).gjf (generated)

000128182.b3lyp_6-31g(d).firefly.inp (generated)

000128182.b3lyp_6-31g(d).smash.inp (generated)

000128182.b3lyp_6-31g(d).nwchem.inp (generated) 000128182.b3lyp_6-31g(d).log.xz 000128182.td-b3lyp_6-31g+(d).inp 000128182.td-b3lyp_6-31g+(d).log.xz

000128182.td-b3lyp_6-31+g(d).qchem.inp (generated)

000128182.td-b3lyp_6-31+g(d).gjf (generated)

000128182.td-b3lyp_6-31+g(d).firefly.inp (generated)

000128182.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000128182.mol 000128182.PUBCHEM 000128182.mol (via Jmol)
000128189.b3lyp_6-31g(d).inp

000128189.b3lyp_6-31g(d).qchem.inp (generated)

000128189.b3lyp_6-31g(d).gjf (generated)

000128189.b3lyp_6-31g(d).firefly.inp (generated)

000128189.b3lyp_6-31g(d).smash.inp (generated)

000128189.b3lyp_6-31g(d).nwchem.inp (generated) 000128189.b3lyp_6-31g(d).log.xz 000128189.td-b3lyp_6-31g+(d).inp 000128189.td-b3lyp_6-31g+(d).log.xz

000128189.td-b3lyp_6-31+g(d).qchem.inp (generated)

000128189.td-b3lyp_6-31+g(d).gjf (generated)

000128189.td-b3lyp_6-31+g(d).firefly.inp (generated)

000128189.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000128189.mol 000128189.PUBCHEM 000128189.mol (via Jmol)
000128191.b3lyp_6-31g(d).inp

000128191.b3lyp_6-31g(d).qchem.inp (generated)

000128191.b3lyp_6-31g(d).gjf (generated)

000128191.b3lyp_6-31g(d).firefly.inp (generated)

000128191.b3lyp_6-31g(d).smash.inp (generated)

000128191.b3lyp_6-31g(d).nwchem.inp (generated) 000128191.b3lyp_6-31g(d).log.xz 000128191.td-b3lyp_6-31g+(d).inp 000128191.td-b3lyp_6-31g+(d).log.xz

000128191.td-b3lyp_6-31+g(d).qchem.inp (generated)

000128191.td-b3lyp_6-31+g(d).gjf (generated)

000128191.td-b3lyp_6-31+g(d).firefly.inp (generated)

000128191.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000128191.mol 000128191.PUBCHEM 000128191.mol (via Jmol)
000128212.b3lyp_6-31g(d).inp

000128212.b3lyp_6-31g(d).qchem.inp (generated)

000128212.b3lyp_6-31g(d).gjf (generated)

000128212.b3lyp_6-31g(d).firefly.inp (generated)

000128212.b3lyp_6-31g(d).smash.inp (generated)

000128212.b3lyp_6-31g(d).nwchem.inp (generated) 000128212.b3lyp_6-31g(d).log.xz 000128212.td-b3lyp_6-31g+(d).inp 000128212.td-b3lyp_6-31g+(d).log.xz

000128212.td-b3lyp_6-31+g(d).qchem.inp (generated)

000128212.td-b3lyp_6-31+g(d).gjf (generated)

000128212.td-b3lyp_6-31+g(d).firefly.inp (generated)

000128212.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000128212.mol 000128212.PUBCHEM 000128212.mol (via Jmol)
000128221.b3lyp_6-31g(d).inp

000128221.b3lyp_6-31g(d).qchem.inp (generated)

000128221.b3lyp_6-31g(d).gjf (generated)

000128221.b3lyp_6-31g(d).firefly.inp (generated)

000128221.b3lyp_6-31g(d).smash.inp (generated)

000128221.b3lyp_6-31g(d).nwchem.inp (generated) 000128221.b3lyp_6-31g(d).log.xz 000128221.td-b3lyp_6-31g+(d).inp 000128221.td-b3lyp_6-31g+(d).log.xz

000128221.td-b3lyp_6-31+g(d).qchem.inp (generated)

000128221.td-b3lyp_6-31+g(d).gjf (generated)

000128221.td-b3lyp_6-31+g(d).firefly.inp (generated)

000128221.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000128221.mol 000128221.PUBCHEM 000128221.mol (via Jmol)
000128226.b3lyp_6-31g(d).inp

000128226.b3lyp_6-31g(d).qchem.inp (generated)

000128226.b3lyp_6-31g(d).gjf (generated)

000128226.b3lyp_6-31g(d).firefly.inp (generated)

000128226.b3lyp_6-31g(d).smash.inp (generated)

000128226.b3lyp_6-31g(d).nwchem.inp (generated) 000128226.b3lyp_6-31g(d).log.xz 000128226.mol 000128226.PUBCHEM 000128226.mol (via Jmol)
000128273.b3lyp_6-31g(d).inp

000128273.b3lyp_6-31g(d).qchem.inp (generated)

000128273.b3lyp_6-31g(d).gjf (generated)

000128273.b3lyp_6-31g(d).firefly.inp (generated)

000128273.b3lyp_6-31g(d).smash.inp (generated)

000128273.b3lyp_6-31g(d).nwchem.inp (generated) 000128273.b3lyp_6-31g(d).log.xz 000128273.td-b3lyp_6-31g+(d).inp 000128273.td-b3lyp_6-31g+(d).log.xz

000128273.td-b3lyp_6-31+g(d).qchem.inp (generated)

000128273.td-b3lyp_6-31+g(d).gjf (generated)

000128273.td-b3lyp_6-31+g(d).firefly.inp (generated)

000128273.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000128273.mol 000128273.PUBCHEM 000128273.mol (via Jmol)
000128278.b3lyp_6-31g(d).inp

000128278.b3lyp_6-31g(d).qchem.inp (generated)

000128278.b3lyp_6-31g(d).gjf (generated)

000128278.b3lyp_6-31g(d).firefly.inp (generated)

000128278.b3lyp_6-31g(d).smash.inp (generated)

000128278.b3lyp_6-31g(d).nwchem.inp (generated) 000128278.b3lyp_6-31g(d).log.xz 000128278.td-b3lyp_6-31g+(d).inp 000128278.td-b3lyp_6-31g+(d).log.xz

000128278.td-b3lyp_6-31+g(d).qchem.inp (generated)

000128278.td-b3lyp_6-31+g(d).gjf (generated)

000128278.td-b3lyp_6-31+g(d).firefly.inp (generated)

000128278.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000128278.mol 000128278.PUBCHEM 000128278.mol (via Jmol)
000128279.b3lyp_6-31g(d).inp

000128279.b3lyp_6-31g(d).qchem.inp (generated)

000128279.b3lyp_6-31g(d).gjf (generated)

000128279.b3lyp_6-31g(d).firefly.inp (generated)

000128279.b3lyp_6-31g(d).smash.inp (generated)

000128279.b3lyp_6-31g(d).nwchem.inp (generated) 000128279.b3lyp_6-31g(d).log.xz 000128279.td-b3lyp_6-31g+(d).inp 000128279.td-b3lyp_6-31g+(d).log.xz

000128279.td-b3lyp_6-31+g(d).qchem.inp (generated)

000128279.td-b3lyp_6-31+g(d).gjf (generated)

000128279.td-b3lyp_6-31+g(d).firefly.inp (generated)

000128279.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000128279.mol 000128279.PUBCHEM 000128279.mol (via Jmol)
000128280.b3lyp_6-31g(d).inp

000128280.b3lyp_6-31g(d).qchem.inp (generated)

000128280.b3lyp_6-31g(d).gjf (generated)

000128280.b3lyp_6-31g(d).firefly.inp (generated)

000128280.b3lyp_6-31g(d).smash.inp (generated)

000128280.b3lyp_6-31g(d).nwchem.inp (generated) 000128280.b3lyp_6-31g(d).log.xz 000128280.td-b3lyp_6-31g+(d).inp 000128280.td-b3lyp_6-31g+(d).log.xz

000128280.td-b3lyp_6-31+g(d).qchem.inp (generated)

000128280.td-b3lyp_6-31+g(d).gjf (generated)

000128280.td-b3lyp_6-31+g(d).firefly.inp (generated)

000128280.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000128280.mol 000128280.PUBCHEM 000128280.mol (via Jmol)
000128286.b3lyp_6-31g(d).inp

000128286.b3lyp_6-31g(d).qchem.inp (generated)

000128286.b3lyp_6-31g(d).gjf (generated)

000128286.b3lyp_6-31g(d).firefly.inp (generated)

000128286.b3lyp_6-31g(d).smash.inp (generated)

000128286.b3lyp_6-31g(d).nwchem.inp (generated) 000128286.b3lyp_6-31g(d).log.xz 000128286.td-b3lyp_6-31g+(d).inp 000128286.td-b3lyp_6-31g+(d).log.xz

000128286.td-b3lyp_6-31+g(d).qchem.inp (generated)

000128286.td-b3lyp_6-31+g(d).gjf (generated)

000128286.td-b3lyp_6-31+g(d).firefly.inp (generated)

000128286.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000128286.mol 000128286.PUBCHEM 000128286.mol (via Jmol)
000128299.b3lyp_6-31g(d).inp

000128299.b3lyp_6-31g(d).qchem.inp (generated)

000128299.b3lyp_6-31g(d).gjf (generated)

000128299.b3lyp_6-31g(d).firefly.inp (generated)

000128299.b3lyp_6-31g(d).smash.inp (generated)

000128299.b3lyp_6-31g(d).nwchem.inp (generated) 000128299.b3lyp_6-31g(d).log.xz 000128299.td-b3lyp_6-31g+(d).inp 000128299.td-b3lyp_6-31g+(d).log.xz

000128299.td-b3lyp_6-31+g(d).qchem.inp (generated)

000128299.td-b3lyp_6-31+g(d).gjf (generated)

000128299.td-b3lyp_6-31+g(d).firefly.inp (generated)

000128299.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000128299.mol 000128299.PUBCHEM 000128299.mol (via Jmol)
000128307.b3lyp_6-31g(d).inp

000128307.b3lyp_6-31g(d).qchem.inp (generated)

000128307.b3lyp_6-31g(d).gjf (generated)

000128307.b3lyp_6-31g(d).firefly.inp (generated)

000128307.b3lyp_6-31g(d).smash.inp (generated)

000128307.b3lyp_6-31g(d).nwchem.inp (generated) 000128307.b3lyp_6-31g(d).log.xz 000128307.td-b3lyp_6-31g+(d).inp 000128307.td-b3lyp_6-31g+(d).log.xz

000128307.td-b3lyp_6-31+g(d).qchem.inp (generated)

000128307.td-b3lyp_6-31+g(d).gjf (generated)

000128307.td-b3lyp_6-31+g(d).firefly.inp (generated)

000128307.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000128307.mol 000128307.PUBCHEM 000128307.mol (via Jmol)
000128309.b3lyp_6-31g(d).inp

000128309.b3lyp_6-31g(d).qchem.inp (generated)

000128309.b3lyp_6-31g(d).gjf (generated)

000128309.b3lyp_6-31g(d).firefly.inp (generated)

000128309.b3lyp_6-31g(d).smash.inp (generated)

000128309.b3lyp_6-31g(d).nwchem.inp (generated) 000128309.b3lyp_6-31g(d).log.xz 000128309.td-b3lyp_6-31g+(d).inp 000128309.td-b3lyp_6-31g+(d).log.xz

000128309.td-b3lyp_6-31+g(d).qchem.inp (generated)

000128309.td-b3lyp_6-31+g(d).gjf (generated)

000128309.td-b3lyp_6-31+g(d).firefly.inp (generated)

000128309.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000128309.mol 000128309.PUBCHEM 000128309.mol (via Jmol)
000128313.b3lyp_6-31g(d).inp

000128313.b3lyp_6-31g(d).qchem.inp (generated)

000128313.b3lyp_6-31g(d).gjf (generated)

000128313.b3lyp_6-31g(d).firefly.inp (generated)

000128313.b3lyp_6-31g(d).smash.inp (generated)

000128313.b3lyp_6-31g(d).nwchem.inp (generated) 000128313.b3lyp_6-31g(d).log.xz 000128313.td-b3lyp_6-31g+(d).inp 000128313.td-b3lyp_6-31g+(d).log.xz

000128313.td-b3lyp_6-31+g(d).qchem.inp (generated)

000128313.td-b3lyp_6-31+g(d).gjf (generated)

000128313.td-b3lyp_6-31+g(d).firefly.inp (generated)

000128313.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000128313.mol 000128313.PUBCHEM 000128313.mol (via Jmol)
000128317.b3lyp_6-31g(d).inp

000128317.b3lyp_6-31g(d).qchem.inp (generated)

000128317.b3lyp_6-31g(d).gjf (generated)

000128317.b3lyp_6-31g(d).firefly.inp (generated)

000128317.b3lyp_6-31g(d).smash.inp (generated)

000128317.b3lyp_6-31g(d).nwchem.inp (generated) 000128317.b3lyp_6-31g(d).log.xz 000128317.td-b3lyp_6-31g+(d).inp 000128317.td-b3lyp_6-31g+(d).log.xz

000128317.td-b3lyp_6-31+g(d).qchem.inp (generated)

000128317.td-b3lyp_6-31+g(d).gjf (generated)

000128317.td-b3lyp_6-31+g(d).firefly.inp (generated)

000128317.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000128317.mol 000128317.PUBCHEM 000128317.mol (via Jmol)
000128328.b3lyp_6-31g(d).inp

000128328.b3lyp_6-31g(d).qchem.inp (generated)

000128328.b3lyp_6-31g(d).gjf (generated)

000128328.b3lyp_6-31g(d).firefly.inp (generated)

000128328.b3lyp_6-31g(d).smash.inp (generated)

000128328.b3lyp_6-31g(d).nwchem.inp (generated) 000128328.b3lyp_6-31g(d).log.xz 000128328.td-b3lyp_6-31g+(d).inp 000128328.td-b3lyp_6-31g+(d).log.xz

000128328.td-b3lyp_6-31+g(d).qchem.inp (generated)

000128328.td-b3lyp_6-31+g(d).gjf (generated)

000128328.td-b3lyp_6-31+g(d).firefly.inp (generated)

000128328.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000128328.mol 000128328.PUBCHEM 000128328.mol (via Jmol)
000128335.b3lyp_6-31g(d).inp

000128335.b3lyp_6-31g(d).qchem.inp (generated)

000128335.b3lyp_6-31g(d).gjf (generated)

000128335.b3lyp_6-31g(d).firefly.inp (generated)

000128335.b3lyp_6-31g(d).smash.inp (generated)

000128335.b3lyp_6-31g(d).nwchem.inp (generated) 000128335.b3lyp_6-31g(d).log.xz 000128335.td-b3lyp_6-31g+(d).inp 000128335.td-b3lyp_6-31g+(d).log.xz

000128335.td-b3lyp_6-31+g(d).qchem.inp (generated)

000128335.td-b3lyp_6-31+g(d).gjf (generated)

000128335.td-b3lyp_6-31+g(d).firefly.inp (generated)

000128335.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000128335.mol 000128335.PUBCHEM 000128335.mol (via Jmol)
000128338.b3lyp_6-31g(d).inp

000128338.b3lyp_6-31g(d).qchem.inp (generated)

000128338.b3lyp_6-31g(d).gjf (generated)

000128338.b3lyp_6-31g(d).firefly.inp (generated)

000128338.b3lyp_6-31g(d).smash.inp (generated)

000128338.b3lyp_6-31g(d).nwchem.inp (generated) 000128338.b3lyp_6-31g(d).log.xz 000128338.td-b3lyp_6-31g+(d).inp 000128338.td-b3lyp_6-31g+(d).log.xz

000128338.td-b3lyp_6-31+g(d).qchem.inp (generated)

000128338.td-b3lyp_6-31+g(d).gjf (generated)

000128338.td-b3lyp_6-31+g(d).firefly.inp (generated)

000128338.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000128338.mol 000128338.PUBCHEM 000128338.mol (via Jmol)
000128388.b3lyp_6-31g(d).inp

000128388.b3lyp_6-31g(d).qchem.inp (generated)

000128388.b3lyp_6-31g(d).gjf (generated)

000128388.b3lyp_6-31g(d).firefly.inp (generated)

000128388.b3lyp_6-31g(d).smash.inp (generated)

000128388.b3lyp_6-31g(d).nwchem.inp (generated) 000128388.b3lyp_6-31g(d).log.xz 000128388.td-b3lyp_6-31g+(d).inp 000128388.td-b3lyp_6-31g+(d).log.xz

000128388.td-b3lyp_6-31+g(d).qchem.inp (generated)

000128388.td-b3lyp_6-31+g(d).gjf (generated)

000128388.td-b3lyp_6-31+g(d).firefly.inp (generated)

000128388.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000128388.mol 000128388.PUBCHEM 000128388.mol (via Jmol)
000128418.b3lyp_6-31g(d).inp

000128418.b3lyp_6-31g(d).qchem.inp (generated)

000128418.b3lyp_6-31g(d).gjf (generated)

000128418.b3lyp_6-31g(d).firefly.inp (generated)

000128418.b3lyp_6-31g(d).smash.inp (generated)

000128418.b3lyp_6-31g(d).nwchem.inp (generated) 000128418.b3lyp_6-31g(d).log.xz 000128418.td-b3lyp_6-31g+(d).inp 000128418.td-b3lyp_6-31g+(d).log.xz

000128418.td-b3lyp_6-31+g(d).qchem.inp (generated)

000128418.td-b3lyp_6-31+g(d).gjf (generated)

000128418.td-b3lyp_6-31+g(d).firefly.inp (generated)

000128418.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000128418.mol 000128418.PUBCHEM 000128418.mol (via Jmol)
000128423.b3lyp_6-31g(d).inp

000128423.b3lyp_6-31g(d).qchem.inp (generated)

000128423.b3lyp_6-31g(d).gjf (generated)

000128423.b3lyp_6-31g(d).firefly.inp (generated)

000128423.b3lyp_6-31g(d).smash.inp (generated)

000128423.b3lyp_6-31g(d).nwchem.inp (generated) 000128423.b3lyp_6-31g(d).log.xz 000128423.td-b3lyp_6-31g+(d).inp 000128423.td-b3lyp_6-31g+(d).log.xz

000128423.td-b3lyp_6-31+g(d).qchem.inp (generated)

000128423.td-b3lyp_6-31+g(d).gjf (generated)

000128423.td-b3lyp_6-31+g(d).firefly.inp (generated)

000128423.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000128423.mol 000128423.PUBCHEM 000128423.mol (via Jmol)
000128424.b3lyp_6-31g(d).inp

000128424.b3lyp_6-31g(d).qchem.inp (generated)

000128424.b3lyp_6-31g(d).gjf (generated)

000128424.b3lyp_6-31g(d).firefly.inp (generated)

000128424.b3lyp_6-31g(d).smash.inp (generated)

000128424.b3lyp_6-31g(d).nwchem.inp (generated) 000128424.b3lyp_6-31g(d).log.xz 000128424.td-b3lyp_6-31g+(d).inp 000128424.td-b3lyp_6-31g+(d).log.xz

000128424.td-b3lyp_6-31+g(d).qchem.inp (generated)

000128424.td-b3lyp_6-31+g(d).gjf (generated)

000128424.td-b3lyp_6-31+g(d).firefly.inp (generated)

000128424.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000128424.mol 000128424.PUBCHEM 000128424.mol (via Jmol)
000128435.b3lyp_6-31g(d).inp

000128435.b3lyp_6-31g(d).qchem.inp (generated)

000128435.b3lyp_6-31g(d).gjf (generated)

000128435.b3lyp_6-31g(d).firefly.inp (generated)

000128435.b3lyp_6-31g(d).smash.inp (generated)

000128435.b3lyp_6-31g(d).nwchem.inp (generated) 000128435.b3lyp_6-31g(d).log.xz 000128435.td-b3lyp_6-31g+(d).inp 000128435.td-b3lyp_6-31g+(d).log.xz

000128435.td-b3lyp_6-31+g(d).qchem.inp (generated)

000128435.td-b3lyp_6-31+g(d).gjf (generated)

000128435.td-b3lyp_6-31+g(d).firefly.inp (generated)

000128435.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000128435.mol 000128435.PUBCHEM 000128435.mol (via Jmol)
000128458.b3lyp_6-31g(d).inp

000128458.b3lyp_6-31g(d).qchem.inp (generated)

000128458.b3lyp_6-31g(d).gjf (generated)

000128458.b3lyp_6-31g(d).firefly.inp (generated)

000128458.b3lyp_6-31g(d).smash.inp (generated)

000128458.b3lyp_6-31g(d).nwchem.inp (generated) 000128458.b3lyp_6-31g(d).log.xz 000128458.td-b3lyp_6-31g+(d).inp 000128458.td-b3lyp_6-31g+(d).log.xz

000128458.td-b3lyp_6-31+g(d).qchem.inp (generated)

000128458.td-b3lyp_6-31+g(d).gjf (generated)

000128458.td-b3lyp_6-31+g(d).firefly.inp (generated)

000128458.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000128458.mol 000128458.PUBCHEM 000128458.mol (via Jmol)
000128464.b3lyp_6-31g(d).inp

000128464.b3lyp_6-31g(d).qchem.inp (generated)

000128464.b3lyp_6-31g(d).gjf (generated)

000128464.b3lyp_6-31g(d).firefly.inp (generated)

000128464.b3lyp_6-31g(d).smash.inp (generated)

000128464.b3lyp_6-31g(d).nwchem.inp (generated) 000128464.b3lyp_6-31g(d).log.xz 000128464.td-b3lyp_6-31g+(d).inp 000128464.td-b3lyp_6-31g+(d).log.xz

000128464.td-b3lyp_6-31+g(d).qchem.inp (generated)

000128464.td-b3lyp_6-31+g(d).gjf (generated)

000128464.td-b3lyp_6-31+g(d).firefly.inp (generated)

000128464.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000128464.mol 000128464.PUBCHEM 000128464.mol (via Jmol)
000128493.b3lyp_6-31g(d).inp

000128493.b3lyp_6-31g(d).qchem.inp (generated)

000128493.b3lyp_6-31g(d).gjf (generated)

000128493.b3lyp_6-31g(d).firefly.inp (generated)

000128493.b3lyp_6-31g(d).smash.inp (generated)

000128493.b3lyp_6-31g(d).nwchem.inp (generated) 000128493.b3lyp_6-31g(d).log.xz 000128493.td-b3lyp_6-31g+(d).inp 000128493.td-b3lyp_6-31g+(d).log.xz

000128493.td-b3lyp_6-31+g(d).qchem.inp (generated)

000128493.td-b3lyp_6-31+g(d).gjf (generated)

000128493.td-b3lyp_6-31+g(d).firefly.inp (generated)

000128493.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000128493.mol 000128493.PUBCHEM 000128493.mol (via Jmol)
000128498.b3lyp_6-31g(d).inp

000128498.b3lyp_6-31g(d).qchem.inp (generated)

000128498.b3lyp_6-31g(d).gjf (generated)

000128498.b3lyp_6-31g(d).firefly.inp (generated)

000128498.b3lyp_6-31g(d).smash.inp (generated)

000128498.b3lyp_6-31g(d).nwchem.inp (generated) 000128498.b3lyp_6-31g(d).log.xz 000128498.td-b3lyp_6-31g+(d).inp 000128498.td-b3lyp_6-31g+(d).log.xz

000128498.td-b3lyp_6-31+g(d).qchem.inp (generated)

000128498.td-b3lyp_6-31+g(d).gjf (generated)

000128498.td-b3lyp_6-31+g(d).firefly.inp (generated)

000128498.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000128498.mol 000128498.PUBCHEM 000128498.mol (via Jmol)
000128504.b3lyp_6-31g(d).inp

000128504.b3lyp_6-31g(d).qchem.inp (generated)

000128504.b3lyp_6-31g(d).gjf (generated)

000128504.b3lyp_6-31g(d).firefly.inp (generated)

000128504.b3lyp_6-31g(d).smash.inp (generated)

000128504.b3lyp_6-31g(d).nwchem.inp (generated) 000128504.b3lyp_6-31g(d).log.xz 000128504.td-b3lyp_6-31g+(d).inp 000128504.td-b3lyp_6-31g+(d).log.xz

000128504.td-b3lyp_6-31+g(d).qchem.inp (generated)

000128504.td-b3lyp_6-31+g(d).gjf (generated)

000128504.td-b3lyp_6-31+g(d).firefly.inp (generated)

000128504.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000128504.mol 000128504.PUBCHEM 000128504.mol (via Jmol)
000128514.b3lyp_6-31g(d).inp

000128514.b3lyp_6-31g(d).qchem.inp (generated)

000128514.b3lyp_6-31g(d).gjf (generated)

000128514.b3lyp_6-31g(d).firefly.inp (generated)

000128514.b3lyp_6-31g(d).smash.inp (generated)

000128514.b3lyp_6-31g(d).nwchem.inp (generated) 000128514.b3lyp_6-31g(d).log.xz 000128514.td-b3lyp_6-31g+(d).inp 000128514.td-b3lyp_6-31g+(d).log.xz

000128514.td-b3lyp_6-31+g(d).qchem.inp (generated)

000128514.td-b3lyp_6-31+g(d).gjf (generated)

000128514.td-b3lyp_6-31+g(d).firefly.inp (generated)

000128514.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000128514.mol 000128514.PUBCHEM 000128514.mol (via Jmol)
000128517.b3lyp_6-31g(d).inp

000128517.b3lyp_6-31g(d).qchem.inp (generated)

000128517.b3lyp_6-31g(d).gjf (generated)

000128517.b3lyp_6-31g(d).firefly.inp (generated)

000128517.b3lyp_6-31g(d).smash.inp (generated)

000128517.b3lyp_6-31g(d).nwchem.inp (generated) 000128517.b3lyp_6-31g(d).log.xz 000128517.td-b3lyp_6-31g+(d).inp 000128517.td-b3lyp_6-31g+(d).log.xz

000128517.td-b3lyp_6-31+g(d).qchem.inp (generated)

000128517.td-b3lyp_6-31+g(d).gjf (generated)

000128517.td-b3lyp_6-31+g(d).firefly.inp (generated)

000128517.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000128517.mol 000128517.PUBCHEM 000128517.mol (via Jmol)
000128525.b3lyp_6-31g(d).inp

000128525.b3lyp_6-31g(d).qchem.inp (generated)

000128525.b3lyp_6-31g(d).gjf (generated)

000128525.b3lyp_6-31g(d).firefly.inp (generated)

000128525.b3lyp_6-31g(d).smash.inp (generated)

000128525.b3lyp_6-31g(d).nwchem.inp (generated) 000128525.b3lyp_6-31g(d).log.xz 000128525.td-b3lyp_6-31g+(d).inp 000128525.td-b3lyp_6-31g+(d).log.xz

000128525.td-b3lyp_6-31+g(d).qchem.inp (generated)

000128525.td-b3lyp_6-31+g(d).gjf (generated)

000128525.td-b3lyp_6-31+g(d).firefly.inp (generated)

000128525.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000128525.mol 000128525.PUBCHEM 000128525.mol (via Jmol)
000128539.b3lyp_6-31g(d).inp

000128539.b3lyp_6-31g(d).qchem.inp (generated)

000128539.b3lyp_6-31g(d).gjf (generated)

000128539.b3lyp_6-31g(d).firefly.inp (generated)

000128539.b3lyp_6-31g(d).smash.inp (generated)

000128539.b3lyp_6-31g(d).nwchem.inp (generated) 000128539.b3lyp_6-31g(d).log.xz 000128539.td-b3lyp_6-31g+(d).inp 000128539.td-b3lyp_6-31g+(d).log.xz

000128539.td-b3lyp_6-31+g(d).qchem.inp (generated)

000128539.td-b3lyp_6-31+g(d).gjf (generated)

000128539.td-b3lyp_6-31+g(d).firefly.inp (generated)

000128539.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000128539.mol 000128539.PUBCHEM 000128539.mol (via Jmol)
000128542.b3lyp_6-31g(d).inp

000128542.b3lyp_6-31g(d).qchem.inp (generated)

000128542.b3lyp_6-31g(d).gjf (generated)

000128542.b3lyp_6-31g(d).firefly.inp (generated)

000128542.b3lyp_6-31g(d).smash.inp (generated)

000128542.b3lyp_6-31g(d).nwchem.inp (generated) 000128542.b3lyp_6-31g(d).log.xz 000128542.td-b3lyp_6-31g+(d).inp 000128542.td-b3lyp_6-31g+(d).log.xz

000128542.td-b3lyp_6-31+g(d).qchem.inp (generated)

000128542.td-b3lyp_6-31+g(d).gjf (generated)

000128542.td-b3lyp_6-31+g(d).firefly.inp (generated)

000128542.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000128542.mol 000128542.PUBCHEM 000128542.mol (via Jmol)
000128545.b3lyp_6-31g(d).inp

000128545.b3lyp_6-31g(d).qchem.inp (generated)

000128545.b3lyp_6-31g(d).gjf (generated)

000128545.b3lyp_6-31g(d).firefly.inp (generated)

000128545.b3lyp_6-31g(d).smash.inp (generated)

000128545.b3lyp_6-31g(d).nwchem.inp (generated) 000128545.b3lyp_6-31g(d).log.xz 000128545.td-b3lyp_6-31g+(d).inp 000128545.td-b3lyp_6-31g+(d).log.xz

000128545.td-b3lyp_6-31+g(d).qchem.inp (generated)

000128545.td-b3lyp_6-31+g(d).gjf (generated)

000128545.td-b3lyp_6-31+g(d).firefly.inp (generated)

000128545.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000128545.mol 000128545.PUBCHEM 000128545.mol (via Jmol)
000128546.b3lyp_6-31g(d).inp

000128546.b3lyp_6-31g(d).qchem.inp (generated)

000128546.b3lyp_6-31g(d).gjf (generated)

000128546.b3lyp_6-31g(d).firefly.inp (generated)

000128546.b3lyp_6-31g(d).smash.inp (generated)

000128546.b3lyp_6-31g(d).nwchem.inp (generated) 000128546.b3lyp_6-31g(d).log.xz 000128546.td-b3lyp_6-31g+(d).inp 000128546.td-b3lyp_6-31g+(d).log.xz

000128546.td-b3lyp_6-31+g(d).qchem.inp (generated)

000128546.td-b3lyp_6-31+g(d).gjf (generated)

000128546.td-b3lyp_6-31+g(d).firefly.inp (generated)

000128546.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000128546.mol 000128546.PUBCHEM 000128546.mol (via Jmol)
000128580.b3lyp_6-31g(d).inp

000128580.b3lyp_6-31g(d).qchem.inp (generated)

000128580.b3lyp_6-31g(d).gjf (generated)

000128580.b3lyp_6-31g(d).firefly.inp (generated)

000128580.b3lyp_6-31g(d).smash.inp (generated)

000128580.b3lyp_6-31g(d).nwchem.inp (generated) 000128580.b3lyp_6-31g(d).log.xz 000128580.td-b3lyp_6-31g+(d).inp 000128580.td-b3lyp_6-31g+(d).log.xz

000128580.td-b3lyp_6-31+g(d).qchem.inp (generated)

000128580.td-b3lyp_6-31+g(d).gjf (generated)

000128580.td-b3lyp_6-31+g(d).firefly.inp (generated)

000128580.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000128580.mol 000128580.PUBCHEM 000128580.mol (via Jmol)
000128583.b3lyp_6-31g(d).inp

000128583.b3lyp_6-31g(d).qchem.inp (generated)

000128583.b3lyp_6-31g(d).gjf (generated)

000128583.b3lyp_6-31g(d).firefly.inp (generated)

000128583.b3lyp_6-31g(d).smash.inp (generated)

000128583.b3lyp_6-31g(d).nwchem.inp (generated) 000128583.b3lyp_6-31g(d).log.xz 000128583.td-b3lyp_6-31g+(d).inp 000128583.td-b3lyp_6-31g+(d).log.xz

000128583.td-b3lyp_6-31+g(d).qchem.inp (generated)

000128583.td-b3lyp_6-31+g(d).gjf (generated)

000128583.td-b3lyp_6-31+g(d).firefly.inp (generated)

000128583.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000128583.mol 000128583.PUBCHEM 000128583.mol (via Jmol)
000128585.b3lyp_6-31g(d).inp

000128585.b3lyp_6-31g(d).qchem.inp (generated)

000128585.b3lyp_6-31g(d).gjf (generated)

000128585.b3lyp_6-31g(d).firefly.inp (generated)

000128585.b3lyp_6-31g(d).smash.inp (generated)

000128585.b3lyp_6-31g(d).nwchem.inp (generated) 000128585.b3lyp_6-31g(d).log.xz 000128585.mol 000128585.PUBCHEM 000128585.mol (via Jmol)
000128586.b3lyp_6-31g(d).inp

000128586.b3lyp_6-31g(d).qchem.inp (generated)

000128586.b3lyp_6-31g(d).gjf (generated)

000128586.b3lyp_6-31g(d).firefly.inp (generated)

000128586.b3lyp_6-31g(d).smash.inp (generated)

000128586.b3lyp_6-31g(d).nwchem.inp (generated) 000128586.b3lyp_6-31g(d).log.xz 000128586.td-b3lyp_6-31g+(d).inp 000128586.td-b3lyp_6-31g+(d).log.xz

000128586.td-b3lyp_6-31+g(d).qchem.inp (generated)

000128586.td-b3lyp_6-31+g(d).gjf (generated)

000128586.td-b3lyp_6-31+g(d).firefly.inp (generated)

000128586.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000128586.mol 000128586.PUBCHEM 000128586.mol (via Jmol)
000128595.b3lyp_6-31g(d).inp

000128595.b3lyp_6-31g(d).qchem.inp (generated)

000128595.b3lyp_6-31g(d).gjf (generated)

000128595.b3lyp_6-31g(d).firefly.inp (generated)

000128595.b3lyp_6-31g(d).smash.inp (generated)

000128595.b3lyp_6-31g(d).nwchem.inp (generated) 000128595.b3lyp_6-31g(d).log.xz 000128595.td-b3lyp_6-31g+(d).inp 000128595.td-b3lyp_6-31g+(d).log.xz

000128595.td-b3lyp_6-31+g(d).qchem.inp (generated)

000128595.td-b3lyp_6-31+g(d).gjf (generated)

000128595.td-b3lyp_6-31+g(d).firefly.inp (generated)

000128595.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000128595.mol 000128595.PUBCHEM 000128595.mol (via Jmol)
000128619.b3lyp_6-31g(d).inp

000128619.b3lyp_6-31g(d).qchem.inp (generated)

000128619.b3lyp_6-31g(d).gjf (generated)

000128619.b3lyp_6-31g(d).firefly.inp (generated)

000128619.b3lyp_6-31g(d).smash.inp (generated)

000128619.b3lyp_6-31g(d).nwchem.inp (generated) 000128619.b3lyp_6-31g(d).log.xz 000128619.td-b3lyp_6-31g+(d).inp 000128619.td-b3lyp_6-31g+(d).log.xz

000128619.td-b3lyp_6-31+g(d).qchem.inp (generated)

000128619.td-b3lyp_6-31+g(d).gjf (generated)

000128619.td-b3lyp_6-31+g(d).firefly.inp (generated)

000128619.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000128619.mol 000128619.PUBCHEM 000128619.mol (via Jmol)
000128626.b3lyp_6-31g(d).inp

000128626.b3lyp_6-31g(d).qchem.inp (generated)

000128626.b3lyp_6-31g(d).gjf (generated)

000128626.b3lyp_6-31g(d).firefly.inp (generated)

000128626.b3lyp_6-31g(d).smash.inp (generated)

000128626.b3lyp_6-31g(d).nwchem.inp (generated) 000128626.b3lyp_6-31g(d).log.xz 000128626.td-b3lyp_6-31g+(d).inp 000128626.td-b3lyp_6-31g+(d).log.xz

000128626.td-b3lyp_6-31+g(d).qchem.inp (generated)

000128626.td-b3lyp_6-31+g(d).gjf (generated)

000128626.td-b3lyp_6-31+g(d).firefly.inp (generated)

000128626.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000128626.mol 000128626.PUBCHEM 000128626.mol (via Jmol)
000128636.b3lyp_6-31g(d).inp

000128636.b3lyp_6-31g(d).qchem.inp (generated)

000128636.b3lyp_6-31g(d).gjf (generated)

000128636.b3lyp_6-31g(d).firefly.inp (generated)

000128636.b3lyp_6-31g(d).smash.inp (generated)

000128636.b3lyp_6-31g(d).nwchem.inp (generated) 000128636.b3lyp_6-31g(d).log.xz 000128636.td-b3lyp_6-31g+(d).inp 000128636.td-b3lyp_6-31g+(d).log.xz

000128636.td-b3lyp_6-31+g(d).qchem.inp (generated)

000128636.td-b3lyp_6-31+g(d).gjf (generated)

000128636.td-b3lyp_6-31+g(d).firefly.inp (generated)

000128636.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000128636.mol 000128636.PUBCHEM 000128636.mol (via Jmol)
000128646.b3lyp_6-31g(d).inp

000128646.b3lyp_6-31g(d).qchem.inp (generated)

000128646.b3lyp_6-31g(d).gjf (generated)

000128646.b3lyp_6-31g(d).firefly.inp (generated)

000128646.b3lyp_6-31g(d).smash.inp (generated)

000128646.b3lyp_6-31g(d).nwchem.inp (generated) 000128646.b3lyp_6-31g(d).log.xz 000128646.td-b3lyp_6-31g+(d).inp 000128646.td-b3lyp_6-31g+(d).log.xz

000128646.td-b3lyp_6-31+g(d).qchem.inp (generated)

000128646.td-b3lyp_6-31+g(d).gjf (generated)

000128646.td-b3lyp_6-31+g(d).firefly.inp (generated)

000128646.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000128646.mol 000128646.PUBCHEM 000128646.mol (via Jmol)
000128649.b3lyp_6-31g(d).inp

000128649.b3lyp_6-31g(d).qchem.inp (generated)

000128649.b3lyp_6-31g(d).gjf (generated)

000128649.b3lyp_6-31g(d).firefly.inp (generated)

000128649.b3lyp_6-31g(d).smash.inp (generated)

000128649.b3lyp_6-31g(d).nwchem.inp (generated) 000128649.b3lyp_6-31g(d).log.xz 000128649.td-b3lyp_6-31g+(d).inp 000128649.td-b3lyp_6-31g+(d).log.xz

000128649.td-b3lyp_6-31+g(d).qchem.inp (generated)

000128649.td-b3lyp_6-31+g(d).gjf (generated)

000128649.td-b3lyp_6-31+g(d).firefly.inp (generated)

000128649.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000128649.mol 000128649.PUBCHEM 000128649.mol (via Jmol)
000128656.b3lyp_6-31g(d).inp

000128656.b3lyp_6-31g(d).qchem.inp (generated)

000128656.b3lyp_6-31g(d).gjf (generated)

000128656.b3lyp_6-31g(d).firefly.inp (generated)

000128656.b3lyp_6-31g(d).smash.inp (generated)

000128656.b3lyp_6-31g(d).nwchem.inp (generated) 000128656.b3lyp_6-31g(d).log.xz 000128656.td-b3lyp_6-31g+(d).inp 000128656.td-b3lyp_6-31g+(d).log.xz

000128656.td-b3lyp_6-31+g(d).qchem.inp (generated)

000128656.td-b3lyp_6-31+g(d).gjf (generated)

000128656.td-b3lyp_6-31+g(d).firefly.inp (generated)

000128656.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000128656.mol 000128656.PUBCHEM 000128656.mol (via Jmol)
000128663.b3lyp_6-31g(d).inp

000128663.b3lyp_6-31g(d).qchem.inp (generated)

000128663.b3lyp_6-31g(d).gjf (generated)

000128663.b3lyp_6-31g(d).firefly.inp (generated)

000128663.b3lyp_6-31g(d).smash.inp (generated)

000128663.b3lyp_6-31g(d).nwchem.inp (generated) 000128663.b3lyp_6-31g(d).log.xz 000128663.td-b3lyp_6-31g+(d).inp 000128663.td-b3lyp_6-31g+(d).log.xz

000128663.td-b3lyp_6-31+g(d).qchem.inp (generated)

000128663.td-b3lyp_6-31+g(d).gjf (generated)

000128663.td-b3lyp_6-31+g(d).firefly.inp (generated)

000128663.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000128663.mol 000128663.PUBCHEM 000128663.mol (via Jmol)
000128670.b3lyp_6-31g(d).inp

000128670.b3lyp_6-31g(d).qchem.inp (generated)

000128670.b3lyp_6-31g(d).gjf (generated)

000128670.b3lyp_6-31g(d).firefly.inp (generated)

000128670.b3lyp_6-31g(d).smash.inp (generated)

000128670.b3lyp_6-31g(d).nwchem.inp (generated) 000128670.b3lyp_6-31g(d).log.xz 000128670.td-b3lyp_6-31g+(d).inp 000128670.td-b3lyp_6-31g+(d).log.xz

000128670.td-b3lyp_6-31+g(d).qchem.inp (generated)

000128670.td-b3lyp_6-31+g(d).gjf (generated)

000128670.td-b3lyp_6-31+g(d).firefly.inp (generated)

000128670.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000128670.mol 000128670.PUBCHEM 000128670.mol (via Jmol)
000128675.b3lyp_6-31g(d).inp

000128675.b3lyp_6-31g(d).qchem.inp (generated)

000128675.b3lyp_6-31g(d).gjf (generated)

000128675.b3lyp_6-31g(d).firefly.inp (generated)

000128675.b3lyp_6-31g(d).smash.inp (generated)

000128675.b3lyp_6-31g(d).nwchem.inp (generated) 000128675.b3lyp_6-31g(d).log.xz 000128675.td-b3lyp_6-31g+(d).inp 000128675.td-b3lyp_6-31g+(d).log.xz

000128675.td-b3lyp_6-31+g(d).qchem.inp (generated)

000128675.td-b3lyp_6-31+g(d).gjf (generated)

000128675.td-b3lyp_6-31+g(d).firefly.inp (generated)

000128675.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000128675.mol 000128675.PUBCHEM 000128675.mol (via Jmol)
000128685.b3lyp_6-31g(d).inp

000128685.b3lyp_6-31g(d).qchem.inp (generated)

000128685.b3lyp_6-31g(d).gjf (generated)

000128685.b3lyp_6-31g(d).firefly.inp (generated)

000128685.b3lyp_6-31g(d).smash.inp (generated)

000128685.b3lyp_6-31g(d).nwchem.inp (generated) 000128685.b3lyp_6-31g(d).log.xz 000128685.td-b3lyp_6-31g+(d).inp 000128685.td-b3lyp_6-31g+(d).log.xz

000128685.td-b3lyp_6-31+g(d).qchem.inp (generated)

000128685.td-b3lyp_6-31+g(d).gjf (generated)

000128685.td-b3lyp_6-31+g(d).firefly.inp (generated)

000128685.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000128685.mol 000128685.PUBCHEM 000128685.mol (via Jmol)
000128707.b3lyp_6-31g(d).inp

000128707.b3lyp_6-31g(d).qchem.inp (generated)

000128707.b3lyp_6-31g(d).gjf (generated)

000128707.b3lyp_6-31g(d).firefly.inp (generated)

000128707.b3lyp_6-31g(d).smash.inp (generated)

000128707.b3lyp_6-31g(d).nwchem.inp (generated) 000128707.b3lyp_6-31g(d).log.xz 000128707.td-b3lyp_6-31g+(d).inp 000128707.td-b3lyp_6-31g+(d).log.xz

000128707.td-b3lyp_6-31+g(d).qchem.inp (generated)

000128707.td-b3lyp_6-31+g(d).gjf (generated)

000128707.td-b3lyp_6-31+g(d).firefly.inp (generated)

000128707.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000128707.mol 000128707.PUBCHEM 000128707.mol (via Jmol)
000128709.b3lyp_6-31g(d).inp

000128709.b3lyp_6-31g(d).qchem.inp (generated)

000128709.b3lyp_6-31g(d).gjf (generated)

000128709.b3lyp_6-31g(d).firefly.inp (generated)

000128709.b3lyp_6-31g(d).smash.inp (generated)

000128709.b3lyp_6-31g(d).nwchem.inp (generated) 000128709.b3lyp_6-31g(d).log.xz 000128709.td-b3lyp_6-31g+(d).inp 000128709.td-b3lyp_6-31g+(d).log.xz

000128709.td-b3lyp_6-31+g(d).qchem.inp (generated)

000128709.td-b3lyp_6-31+g(d).gjf (generated)

000128709.td-b3lyp_6-31+g(d).firefly.inp (generated)

000128709.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000128709.mol 000128709.PUBCHEM 000128709.mol (via Jmol)
000128735.b3lyp_6-31g(d).inp

000128735.b3lyp_6-31g(d).qchem.inp (generated)

000128735.b3lyp_6-31g(d).gjf (generated)

000128735.b3lyp_6-31g(d).firefly.inp (generated)

000128735.b3lyp_6-31g(d).smash.inp (generated)

000128735.b3lyp_6-31g(d).nwchem.inp (generated) 000128735.b3lyp_6-31g(d).log.xz 000128735.td-b3lyp_6-31g+(d).inp 000128735.td-b3lyp_6-31g+(d).log.xz

000128735.td-b3lyp_6-31+g(d).qchem.inp (generated)

000128735.td-b3lyp_6-31+g(d).gjf (generated)

000128735.td-b3lyp_6-31+g(d).firefly.inp (generated)

000128735.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000128735.mol 000128735.PUBCHEM 000128735.mol (via Jmol)
000128747.b3lyp_6-31g(d).inp

000128747.b3lyp_6-31g(d).qchem.inp (generated)

000128747.b3lyp_6-31g(d).gjf (generated)

000128747.b3lyp_6-31g(d).firefly.inp (generated)

000128747.b3lyp_6-31g(d).smash.inp (generated)

000128747.b3lyp_6-31g(d).nwchem.inp (generated) 000128747.b3lyp_6-31g(d).log.xz 000128747.td-b3lyp_6-31g+(d).inp 000128747.td-b3lyp_6-31g+(d).log.xz

000128747.td-b3lyp_6-31+g(d).qchem.inp (generated)

000128747.td-b3lyp_6-31+g(d).gjf (generated)

000128747.td-b3lyp_6-31+g(d).firefly.inp (generated)

000128747.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000128747.mol 000128747.PUBCHEM 000128747.mol (via Jmol)
000128755.b3lyp_6-31g(d).inp

000128755.b3lyp_6-31g(d).qchem.inp (generated)

000128755.b3lyp_6-31g(d).gjf (generated)

000128755.b3lyp_6-31g(d).firefly.inp (generated)

000128755.b3lyp_6-31g(d).smash.inp (generated)

000128755.b3lyp_6-31g(d).nwchem.inp (generated) 000128755.b3lyp_6-31g(d).log.xz 000128755.td-b3lyp_6-31g+(d).inp 000128755.td-b3lyp_6-31g+(d).log.xz

000128755.td-b3lyp_6-31+g(d).qchem.inp (generated)

000128755.td-b3lyp_6-31+g(d).gjf (generated)

000128755.td-b3lyp_6-31+g(d).firefly.inp (generated)

000128755.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000128755.mol 000128755.PUBCHEM 000128755.mol (via Jmol)
000128759.b3lyp_6-31g(d).inp

000128759.b3lyp_6-31g(d).qchem.inp (generated)

000128759.b3lyp_6-31g(d).gjf (generated)

000128759.b3lyp_6-31g(d).firefly.inp (generated)

000128759.b3lyp_6-31g(d).smash.inp (generated)

000128759.b3lyp_6-31g(d).nwchem.inp (generated) 000128759.b3lyp_6-31g(d).log.xz 000128759.td-b3lyp_6-31g+(d).inp 000128759.td-b3lyp_6-31g+(d).log.xz

000128759.td-b3lyp_6-31+g(d).qchem.inp (generated)

000128759.td-b3lyp_6-31+g(d).gjf (generated)

000128759.td-b3lyp_6-31+g(d).firefly.inp (generated)

000128759.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000128759.mol 000128759.PUBCHEM 000128759.mol (via Jmol)
000128760.b3lyp_6-31g(d).inp

000128760.b3lyp_6-31g(d).qchem.inp (generated)

000128760.b3lyp_6-31g(d).gjf (generated)

000128760.b3lyp_6-31g(d).firefly.inp (generated)

000128760.b3lyp_6-31g(d).smash.inp (generated)

000128760.b3lyp_6-31g(d).nwchem.inp (generated) 000128760.b3lyp_6-31g(d).log.xz 000128760.td-b3lyp_6-31g+(d).inp 000128760.td-b3lyp_6-31g+(d).log.xz

000128760.td-b3lyp_6-31+g(d).qchem.inp (generated)

000128760.td-b3lyp_6-31+g(d).gjf (generated)

000128760.td-b3lyp_6-31+g(d).firefly.inp (generated)

000128760.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000128760.mol 000128760.PUBCHEM 000128760.mol (via Jmol)
000128761.b3lyp_6-31g(d).inp

000128761.b3lyp_6-31g(d).qchem.inp (generated)

000128761.b3lyp_6-31g(d).gjf (generated)

000128761.b3lyp_6-31g(d).firefly.inp (generated)

000128761.b3lyp_6-31g(d).smash.inp (generated)

000128761.b3lyp_6-31g(d).nwchem.inp (generated) 000128761.b3lyp_6-31g(d).log.xz 000128761.td-b3lyp_6-31g+(d).inp 000128761.td-b3lyp_6-31g+(d).log.xz

000128761.td-b3lyp_6-31+g(d).qchem.inp (generated)

000128761.td-b3lyp_6-31+g(d).gjf (generated)

000128761.td-b3lyp_6-31+g(d).firefly.inp (generated)

000128761.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000128761.mol 000128761.PUBCHEM 000128761.mol (via Jmol)
000128786.b3lyp_6-31g(d).inp

000128786.b3lyp_6-31g(d).qchem.inp (generated)

000128786.b3lyp_6-31g(d).gjf (generated)

000128786.b3lyp_6-31g(d).firefly.inp (generated)

000128786.b3lyp_6-31g(d).smash.inp (generated)

000128786.b3lyp_6-31g(d).nwchem.inp (generated) 000128786.b3lyp_6-31g(d).log.xz 000128786.mol 000128786.PUBCHEM 000128786.mol (via Jmol)
000128791.b3lyp_6-31g(d).inp

000128791.b3lyp_6-31g(d).qchem.inp (generated)

000128791.b3lyp_6-31g(d).gjf (generated)

000128791.b3lyp_6-31g(d).firefly.inp (generated)

000128791.b3lyp_6-31g(d).smash.inp (generated)

000128791.b3lyp_6-31g(d).nwchem.inp (generated) 000128791.b3lyp_6-31g(d).log.xz 000128791.td-b3lyp_6-31g+(d).inp 000128791.td-b3lyp_6-31g+(d).log.xz

000128791.td-b3lyp_6-31+g(d).qchem.inp (generated)

000128791.td-b3lyp_6-31+g(d).gjf (generated)

000128791.td-b3lyp_6-31+g(d).firefly.inp (generated)

000128791.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000128791.mol 000128791.PUBCHEM 000128791.mol (via Jmol)
000128792.b3lyp_6-31g(d).inp

000128792.b3lyp_6-31g(d).qchem.inp (generated)

000128792.b3lyp_6-31g(d).gjf (generated)

000128792.b3lyp_6-31g(d).firefly.inp (generated)

000128792.b3lyp_6-31g(d).smash.inp (generated)

000128792.b3lyp_6-31g(d).nwchem.inp (generated) 000128792.b3lyp_6-31g(d).log.xz 000128792.td-b3lyp_6-31g+(d).inp 000128792.td-b3lyp_6-31g+(d).log.xz

000128792.td-b3lyp_6-31+g(d).qchem.inp (generated)

000128792.td-b3lyp_6-31+g(d).gjf (generated)

000128792.td-b3lyp_6-31+g(d).firefly.inp (generated)

000128792.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000128792.mol 000128792.PUBCHEM 000128792.mol (via Jmol)
000128794.b3lyp_6-31g(d).inp

000128794.b3lyp_6-31g(d).qchem.inp (generated)

000128794.b3lyp_6-31g(d).gjf (generated)

000128794.b3lyp_6-31g(d).firefly.inp (generated)

000128794.b3lyp_6-31g(d).smash.inp (generated)

000128794.b3lyp_6-31g(d).nwchem.inp (generated) 000128794.b3lyp_6-31g(d).log.xz 000128794.td-b3lyp_6-31g+(d).inp 000128794.td-b3lyp_6-31g+(d).log.xz

000128794.td-b3lyp_6-31+g(d).qchem.inp (generated)

000128794.td-b3lyp_6-31+g(d).gjf (generated)

000128794.td-b3lyp_6-31+g(d).firefly.inp (generated)

000128794.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000128794.mol 000128794.PUBCHEM 000128794.mol (via Jmol)
000128796.b3lyp_6-31g(d).inp

000128796.b3lyp_6-31g(d).qchem.inp (generated)

000128796.b3lyp_6-31g(d).gjf (generated)

000128796.b3lyp_6-31g(d).firefly.inp (generated)

000128796.b3lyp_6-31g(d).smash.inp (generated)

000128796.b3lyp_6-31g(d).nwchem.inp (generated) 000128796.b3lyp_6-31g(d).log.xz 000128796.td-b3lyp_6-31g+(d).inp 000128796.td-b3lyp_6-31g+(d).log.xz

000128796.td-b3lyp_6-31+g(d).qchem.inp (generated)

000128796.td-b3lyp_6-31+g(d).gjf (generated)

000128796.td-b3lyp_6-31+g(d).firefly.inp (generated)

000128796.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000128796.mol 000128796.PUBCHEM 000128796.mol (via Jmol)
000128805.b3lyp_6-31g(d).inp

000128805.b3lyp_6-31g(d).qchem.inp (generated)

000128805.b3lyp_6-31g(d).gjf (generated)

000128805.b3lyp_6-31g(d).firefly.inp (generated)

000128805.b3lyp_6-31g(d).smash.inp (generated)

000128805.b3lyp_6-31g(d).nwchem.inp (generated) 000128805.b3lyp_6-31g(d).log.xz 000128805.mol 000128805.PUBCHEM 000128805.mol (via Jmol)
000128823.b3lyp_6-31g(d).inp

000128823.b3lyp_6-31g(d).qchem.inp (generated)

000128823.b3lyp_6-31g(d).gjf (generated)

000128823.b3lyp_6-31g(d).firefly.inp (generated)

000128823.b3lyp_6-31g(d).smash.inp (generated)

000128823.b3lyp_6-31g(d).nwchem.inp (generated) 000128823.b3lyp_6-31g(d).log.xz 000128823.td-b3lyp_6-31g+(d).inp 000128823.td-b3lyp_6-31g+(d).log.xz

000128823.td-b3lyp_6-31+g(d).qchem.inp (generated)

000128823.td-b3lyp_6-31+g(d).gjf (generated)

000128823.td-b3lyp_6-31+g(d).firefly.inp (generated)

000128823.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000128823.mol 000128823.PUBCHEM 000128823.mol (via Jmol)
000128827.b3lyp_6-31g(d).inp

000128827.b3lyp_6-31g(d).qchem.inp (generated)

000128827.b3lyp_6-31g(d).gjf (generated)

000128827.b3lyp_6-31g(d).firefly.inp (generated)

000128827.b3lyp_6-31g(d).smash.inp (generated)

000128827.b3lyp_6-31g(d).nwchem.inp (generated) 000128827.b3lyp_6-31g(d).log.xz 000128827.td-b3lyp_6-31g+(d).inp 000128827.td-b3lyp_6-31g+(d).log.xz

000128827.td-b3lyp_6-31+g(d).qchem.inp (generated)

000128827.td-b3lyp_6-31+g(d).gjf (generated)

000128827.td-b3lyp_6-31+g(d).firefly.inp (generated)

000128827.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000128827.mol 000128827.PUBCHEM 000128827.mol (via Jmol)
000128832.b3lyp_6-31g(d).inp

000128832.b3lyp_6-31g(d).qchem.inp (generated)

000128832.b3lyp_6-31g(d).gjf (generated)

000128832.b3lyp_6-31g(d).firefly.inp (generated)

000128832.b3lyp_6-31g(d).smash.inp (generated)

000128832.b3lyp_6-31g(d).nwchem.inp (generated) 000128832.b3lyp_6-31g(d).log.xz 000128832.td-b3lyp_6-31g+(d).inp 000128832.td-b3lyp_6-31g+(d).log.xz

000128832.td-b3lyp_6-31+g(d).qchem.inp (generated)

000128832.td-b3lyp_6-31+g(d).gjf (generated)

000128832.td-b3lyp_6-31+g(d).firefly.inp (generated)

000128832.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000128832.mol 000128832.PUBCHEM 000128832.mol (via Jmol)
000128833.b3lyp_6-31g(d).inp

000128833.b3lyp_6-31g(d).qchem.inp (generated)

000128833.b3lyp_6-31g(d).gjf (generated)

000128833.b3lyp_6-31g(d).firefly.inp (generated)

000128833.b3lyp_6-31g(d).smash.inp (generated)

000128833.b3lyp_6-31g(d).nwchem.inp (generated) 000128833.b3lyp_6-31g(d).log.xz 000128833.td-b3lyp_6-31g+(d).inp 000128833.td-b3lyp_6-31g+(d).log.xz

000128833.td-b3lyp_6-31+g(d).qchem.inp (generated)

000128833.td-b3lyp_6-31+g(d).gjf (generated)

000128833.td-b3lyp_6-31+g(d).firefly.inp (generated)

000128833.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000128833.mol 000128833.PUBCHEM 000128833.mol (via Jmol)
000128836.b3lyp_6-31g(d).inp

000128836.b3lyp_6-31g(d).qchem.inp (generated)

000128836.b3lyp_6-31g(d).gjf (generated)

000128836.b3lyp_6-31g(d).firefly.inp (generated)

000128836.b3lyp_6-31g(d).smash.inp (generated)

000128836.b3lyp_6-31g(d).nwchem.inp (generated) 000128836.b3lyp_6-31g(d).log.xz 000128836.td-b3lyp_6-31g+(d).inp 000128836.td-b3lyp_6-31g+(d).log.xz

000128836.td-b3lyp_6-31+g(d).qchem.inp (generated)

000128836.td-b3lyp_6-31+g(d).gjf (generated)

000128836.td-b3lyp_6-31+g(d).firefly.inp (generated)

000128836.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000128836.mol 000128836.PUBCHEM 000128836.mol (via Jmol)
000128841.b3lyp_6-31g(d).inp

000128841.b3lyp_6-31g(d).qchem.inp (generated)

000128841.b3lyp_6-31g(d).gjf (generated)

000128841.b3lyp_6-31g(d).firefly.inp (generated)

000128841.b3lyp_6-31g(d).smash.inp (generated)

000128841.b3lyp_6-31g(d).nwchem.inp (generated) 000128841.b3lyp_6-31g(d).log.xz 000128841.td-b3lyp_6-31g+(d).inp 000128841.td-b3lyp_6-31g+(d).log.xz

000128841.td-b3lyp_6-31+g(d).qchem.inp (generated)

000128841.td-b3lyp_6-31+g(d).gjf (generated)

000128841.td-b3lyp_6-31+g(d).firefly.inp (generated)

000128841.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000128841.mol 000128841.PUBCHEM 000128841.mol (via Jmol)
000128843.b3lyp_6-31g(d).inp

000128843.b3lyp_6-31g(d).qchem.inp (generated)

000128843.b3lyp_6-31g(d).gjf (generated)

000128843.b3lyp_6-31g(d).firefly.inp (generated)

000128843.b3lyp_6-31g(d).smash.inp (generated)

000128843.b3lyp_6-31g(d).nwchem.inp (generated) 000128843.b3lyp_6-31g(d).log.xz 000128843.td-b3lyp_6-31g+(d).inp 000128843.td-b3lyp_6-31g+(d).log.xz

000128843.td-b3lyp_6-31+g(d).qchem.inp (generated)

000128843.td-b3lyp_6-31+g(d).gjf (generated)

000128843.td-b3lyp_6-31+g(d).firefly.inp (generated)

000128843.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000128843.mol 000128843.PUBCHEM 000128843.mol (via Jmol)
000128844.b3lyp_6-31g(d).inp

000128844.b3lyp_6-31g(d).qchem.inp (generated)

000128844.b3lyp_6-31g(d).gjf (generated)

000128844.b3lyp_6-31g(d).firefly.inp (generated)

000128844.b3lyp_6-31g(d).smash.inp (generated)

000128844.b3lyp_6-31g(d).nwchem.inp (generated) 000128844.b3lyp_6-31g(d).log.xz 000128844.td-b3lyp_6-31g+(d).inp 000128844.td-b3lyp_6-31g+(d).log.xz

000128844.td-b3lyp_6-31+g(d).qchem.inp (generated)

000128844.td-b3lyp_6-31+g(d).gjf (generated)

000128844.td-b3lyp_6-31+g(d).firefly.inp (generated)

000128844.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000128844.mol 000128844.PUBCHEM 000128844.mol (via Jmol)
000128847.b3lyp_6-31g(d).inp

000128847.b3lyp_6-31g(d).qchem.inp (generated)

000128847.b3lyp_6-31g(d).gjf (generated)

000128847.b3lyp_6-31g(d).firefly.inp (generated)

000128847.b3lyp_6-31g(d).smash.inp (generated)

000128847.b3lyp_6-31g(d).nwchem.inp (generated) 000128847.b3lyp_6-31g(d).log.xz 000128847.td-b3lyp_6-31g+(d).inp 000128847.td-b3lyp_6-31g+(d).log.xz

000128847.td-b3lyp_6-31+g(d).qchem.inp (generated)

000128847.td-b3lyp_6-31+g(d).gjf (generated)

000128847.td-b3lyp_6-31+g(d).firefly.inp (generated)

000128847.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000128847.mol 000128847.PUBCHEM 000128847.mol (via Jmol)
000128850.b3lyp_6-31g(d).inp

000128850.b3lyp_6-31g(d).qchem.inp (generated)

000128850.b3lyp_6-31g(d).gjf (generated)

000128850.b3lyp_6-31g(d).firefly.inp (generated)

000128850.b3lyp_6-31g(d).smash.inp (generated)

000128850.b3lyp_6-31g(d).nwchem.inp (generated) 000128850.b3lyp_6-31g(d).log.xz 000128850.td-b3lyp_6-31g+(d).inp 000128850.td-b3lyp_6-31g+(d).log.xz

000128850.td-b3lyp_6-31+g(d).qchem.inp (generated)

000128850.td-b3lyp_6-31+g(d).gjf (generated)

000128850.td-b3lyp_6-31+g(d).firefly.inp (generated)

000128850.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000128850.mol 000128850.PUBCHEM 000128850.mol (via Jmol)
000128851.b3lyp_6-31g(d).inp

000128851.b3lyp_6-31g(d).qchem.inp (generated)

000128851.b3lyp_6-31g(d).gjf (generated)

000128851.b3lyp_6-31g(d).firefly.inp (generated)

000128851.b3lyp_6-31g(d).smash.inp (generated)

000128851.b3lyp_6-31g(d).nwchem.inp (generated) 000128851.b3lyp_6-31g(d).log.xz 000128851.td-b3lyp_6-31g+(d).inp 000128851.td-b3lyp_6-31g+(d).log.xz

000128851.td-b3lyp_6-31+g(d).qchem.inp (generated)

000128851.td-b3lyp_6-31+g(d).gjf (generated)

000128851.td-b3lyp_6-31+g(d).firefly.inp (generated)

000128851.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000128851.mol 000128851.PUBCHEM 000128851.mol (via Jmol)
000128854.b3lyp_6-31g(d).inp

000128854.b3lyp_6-31g(d).qchem.inp (generated)

000128854.b3lyp_6-31g(d).gjf (generated)

000128854.b3lyp_6-31g(d).firefly.inp (generated)

000128854.b3lyp_6-31g(d).smash.inp (generated)

000128854.b3lyp_6-31g(d).nwchem.inp (generated) 000128854.b3lyp_6-31g(d).log.xz 000128854.td-b3lyp_6-31g+(d).inp 000128854.td-b3lyp_6-31g+(d).log.xz

000128854.td-b3lyp_6-31+g(d).qchem.inp (generated)

000128854.td-b3lyp_6-31+g(d).gjf (generated)

000128854.td-b3lyp_6-31+g(d).firefly.inp (generated)

000128854.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000128854.mol 000128854.PUBCHEM 000128854.mol (via Jmol)
000128857.b3lyp_6-31g(d).inp

000128857.b3lyp_6-31g(d).qchem.inp (generated)

000128857.b3lyp_6-31g(d).gjf (generated)

000128857.b3lyp_6-31g(d).firefly.inp (generated)

000128857.b3lyp_6-31g(d).smash.inp (generated)

000128857.b3lyp_6-31g(d).nwchem.inp (generated) 000128857.b3lyp_6-31g(d).log.xz 000128857.td-b3lyp_6-31g+(d).inp 000128857.td-b3lyp_6-31g+(d).log.xz

000128857.td-b3lyp_6-31+g(d).qchem.inp (generated)

000128857.td-b3lyp_6-31+g(d).gjf (generated)

000128857.td-b3lyp_6-31+g(d).firefly.inp (generated)

000128857.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000128857.mol 000128857.PUBCHEM 000128857.mol (via Jmol)
000128858.b3lyp_6-31g(d).inp

000128858.b3lyp_6-31g(d).qchem.inp (generated)

000128858.b3lyp_6-31g(d).gjf (generated)

000128858.b3lyp_6-31g(d).firefly.inp (generated)

000128858.b3lyp_6-31g(d).smash.inp (generated)

000128858.b3lyp_6-31g(d).nwchem.inp (generated) 000128858.b3lyp_6-31g(d).log.xz 000128858.td-b3lyp_6-31g+(d).inp 000128858.td-b3lyp_6-31g+(d).log.xz

000128858.td-b3lyp_6-31+g(d).qchem.inp (generated)

000128858.td-b3lyp_6-31+g(d).gjf (generated)

000128858.td-b3lyp_6-31+g(d).firefly.inp (generated)

000128858.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000128858.mol 000128858.PUBCHEM 000128858.mol (via Jmol)
000128859.b3lyp_6-31g(d).inp

000128859.b3lyp_6-31g(d).qchem.inp (generated)

000128859.b3lyp_6-31g(d).gjf (generated)

000128859.b3lyp_6-31g(d).firefly.inp (generated)

000128859.b3lyp_6-31g(d).smash.inp (generated)

000128859.b3lyp_6-31g(d).nwchem.inp (generated) 000128859.b3lyp_6-31g(d).log.xz 000128859.td-b3lyp_6-31g+(d).inp 000128859.td-b3lyp_6-31g+(d).log.xz

000128859.td-b3lyp_6-31+g(d).qchem.inp (generated)

000128859.td-b3lyp_6-31+g(d).gjf (generated)

000128859.td-b3lyp_6-31+g(d).firefly.inp (generated)

000128859.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000128859.mol 000128859.PUBCHEM 000128859.mol (via Jmol)
000128865.b3lyp_6-31g(d).inp

000128865.b3lyp_6-31g(d).qchem.inp (generated)

000128865.b3lyp_6-31g(d).gjf (generated)

000128865.b3lyp_6-31g(d).firefly.inp (generated)

000128865.b3lyp_6-31g(d).smash.inp (generated)

000128865.b3lyp_6-31g(d).nwchem.inp (generated) 000128865.b3lyp_6-31g(d).log.xz 000128865.td-b3lyp_6-31g+(d).inp 000128865.td-b3lyp_6-31g+(d).log.xz

000128865.td-b3lyp_6-31+g(d).qchem.inp (generated)

000128865.td-b3lyp_6-31+g(d).gjf (generated)

000128865.td-b3lyp_6-31+g(d).firefly.inp (generated)

000128865.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000128865.mol 000128865.PUBCHEM 000128865.mol (via Jmol)
000128868.b3lyp_6-31g(d).inp

000128868.b3lyp_6-31g(d).qchem.inp (generated)

000128868.b3lyp_6-31g(d).gjf (generated)

000128868.b3lyp_6-31g(d).firefly.inp (generated)

000128868.b3lyp_6-31g(d).smash.inp (generated)

000128868.b3lyp_6-31g(d).nwchem.inp (generated) 000128868.b3lyp_6-31g(d).log.xz 000128868.td-b3lyp_6-31g+(d).inp 000128868.td-b3lyp_6-31g+(d).log.xz

000128868.td-b3lyp_6-31+g(d).qchem.inp (generated)

00012886