Index of

Last updated : Thu Aug 17 01:52:36 JST 2017
Total : 56 (51) in this page
005600227.b3lyp_6-31g(d).inp

005600227.b3lyp_6-31g(d).qchem.inp (generated)

005600227.b3lyp_6-31g(d).gjf (generated)

005600227.b3lyp_6-31g(d).firefly.inp (generated)

005600227.b3lyp_6-31g(d).smash.inp (generated)

005600227.b3lyp_6-31g(d).nwchem.inp (generated) 005600227.b3lyp_6-31g(d).log.xz 005600227.td-b3lyp_6-31g+(d).inp 005600227.td-b3lyp_6-31g+(d).log.xz

005600227.td-b3lyp_6-31+g(d).qchem.inp (generated)

005600227.td-b3lyp_6-31+g(d).gjf (generated)

005600227.td-b3lyp_6-31+g(d).firefly.inp (generated)

005600227.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005600227.mol 005600227.PUBCHEM 005600227.mol (via Jmol)
005600483.b3lyp_6-31g(d).inp

005600483.b3lyp_6-31g(d).qchem.inp (generated)

005600483.b3lyp_6-31g(d).gjf (generated)

005600483.b3lyp_6-31g(d).firefly.inp (generated)

005600483.b3lyp_6-31g(d).smash.inp (generated)

005600483.b3lyp_6-31g(d).nwchem.inp (generated) 005600483.b3lyp_6-31g(d).log.xz 005600483.td-b3lyp_6-31g+(d).inp 005600483.td-b3lyp_6-31g+(d).log.xz

005600483.td-b3lyp_6-31+g(d).qchem.inp (generated)

005600483.td-b3lyp_6-31+g(d).gjf (generated)

005600483.td-b3lyp_6-31+g(d).firefly.inp (generated)

005600483.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005600483.mol 005600483.PUBCHEM 005600483.mol (via Jmol)
005600515.b3lyp_6-31g(d).inp

005600515.b3lyp_6-31g(d).qchem.inp (generated)

005600515.b3lyp_6-31g(d).gjf (generated)

005600515.b3lyp_6-31g(d).firefly.inp (generated)

005600515.b3lyp_6-31g(d).smash.inp (generated)

005600515.b3lyp_6-31g(d).nwchem.inp (generated) 005600515.b3lyp_6-31g(d).log.xz 005600515.td-b3lyp_6-31g+(d).inp 005600515.td-b3lyp_6-31g+(d).log.xz

005600515.td-b3lyp_6-31+g(d).qchem.inp (generated)

005600515.td-b3lyp_6-31+g(d).gjf (generated)

005600515.td-b3lyp_6-31+g(d).firefly.inp (generated)

005600515.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005600515.mol 005600515.PUBCHEM 005600515.mol (via Jmol)
005601325.b3lyp_6-31g(d).inp

005601325.b3lyp_6-31g(d).qchem.inp (generated)

005601325.b3lyp_6-31g(d).gjf (generated)

005601325.b3lyp_6-31g(d).firefly.inp (generated)

005601325.b3lyp_6-31g(d).smash.inp (generated)

005601325.b3lyp_6-31g(d).nwchem.inp (generated) 005601325.b3lyp_6-31g(d).log.xz 005601325.td-b3lyp_6-31g+(d).inp 005601325.td-b3lyp_6-31g+(d).log.xz

005601325.td-b3lyp_6-31+g(d).qchem.inp (generated)

005601325.td-b3lyp_6-31+g(d).gjf (generated)

005601325.td-b3lyp_6-31+g(d).firefly.inp (generated)

005601325.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005601325.mol 005601325.PUBCHEM 005601325.mol (via Jmol)
005601332.b3lyp_6-31g(d).inp

005601332.b3lyp_6-31g(d).qchem.inp (generated)

005601332.b3lyp_6-31g(d).gjf (generated)

005601332.b3lyp_6-31g(d).firefly.inp (generated)

005601332.b3lyp_6-31g(d).smash.inp (generated)

005601332.b3lyp_6-31g(d).nwchem.inp (generated) 005601332.b3lyp_6-31g(d).log.xz 005601332.td-b3lyp_6-31g+(d).inp 005601332.td-b3lyp_6-31g+(d).log.xz

005601332.td-b3lyp_6-31+g(d).qchem.inp (generated)

005601332.td-b3lyp_6-31+g(d).gjf (generated)

005601332.td-b3lyp_6-31+g(d).firefly.inp (generated)

005601332.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005601332.mol 005601332.PUBCHEM 005601332.mol (via Jmol)
005601352.b3lyp_6-31g(d).inp

005601352.b3lyp_6-31g(d).qchem.inp (generated)

005601352.b3lyp_6-31g(d).gjf (generated)

005601352.b3lyp_6-31g(d).firefly.inp (generated)

005601352.b3lyp_6-31g(d).smash.inp (generated)

005601352.b3lyp_6-31g(d).nwchem.inp (generated) 005601352.b3lyp_6-31g(d).log.xz 005601352.td-b3lyp_6-31g+(d).inp 005601352.td-b3lyp_6-31g+(d).log.xz

005601352.td-b3lyp_6-31+g(d).qchem.inp (generated)

005601352.td-b3lyp_6-31+g(d).gjf (generated)

005601352.td-b3lyp_6-31+g(d).firefly.inp (generated)

005601352.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005601352.mol 005601352.PUBCHEM 005601352.mol (via Jmol)
005601494.b3lyp_6-31g(d).inp

005601494.b3lyp_6-31g(d).qchem.inp (generated)

005601494.b3lyp_6-31g(d).gjf (generated)

005601494.b3lyp_6-31g(d).firefly.inp (generated)

005601494.b3lyp_6-31g(d).smash.inp (generated)

005601494.b3lyp_6-31g(d).nwchem.inp (generated) 005601494.b3lyp_6-31g(d).log.xz 005601494.mol 005601494.PUBCHEM 005601494.mol (via Jmol)
005601752.b3lyp_6-31g(d).inp

005601752.b3lyp_6-31g(d).qchem.inp (generated)

005601752.b3lyp_6-31g(d).gjf (generated)

005601752.b3lyp_6-31g(d).firefly.inp (generated)

005601752.b3lyp_6-31g(d).smash.inp (generated)

005601752.b3lyp_6-31g(d).nwchem.inp (generated) 005601752.b3lyp_6-31g(d).log.xz 005601752.td-b3lyp_6-31g+(d).inp 005601752.td-b3lyp_6-31g+(d).log.xz

005601752.td-b3lyp_6-31+g(d).qchem.inp (generated)

005601752.td-b3lyp_6-31+g(d).gjf (generated)

005601752.td-b3lyp_6-31+g(d).firefly.inp (generated)

005601752.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005601752.mol 005601752.PUBCHEM 005601752.mol (via Jmol)
005601813.b3lyp_6-31g(d).inp

005601813.b3lyp_6-31g(d).qchem.inp (generated)

005601813.b3lyp_6-31g(d).gjf (generated)

005601813.b3lyp_6-31g(d).firefly.inp (generated)

005601813.b3lyp_6-31g(d).smash.inp (generated)

005601813.b3lyp_6-31g(d).nwchem.inp (generated) 005601813.b3lyp_6-31g(d).log.xz 005601813.mol 005601813.PUBCHEM 005601813.mol (via Jmol)
005601839.b3lyp_6-31g(d).inp

005601839.b3lyp_6-31g(d).qchem.inp (generated)

005601839.b3lyp_6-31g(d).gjf (generated)

005601839.b3lyp_6-31g(d).firefly.inp (generated)

005601839.b3lyp_6-31g(d).smash.inp (generated)

005601839.b3lyp_6-31g(d).nwchem.inp (generated) 005601839.b3lyp_6-31g(d).log.xz 005601839.td-b3lyp_6-31g+(d).inp 005601839.td-b3lyp_6-31g+(d).log.xz

005601839.td-b3lyp_6-31+g(d).qchem.inp (generated)

005601839.td-b3lyp_6-31+g(d).gjf (generated)

005601839.td-b3lyp_6-31+g(d).firefly.inp (generated)

005601839.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005601839.mol 005601839.PUBCHEM 005601839.mol (via Jmol)
005602168.b3lyp_6-31g(d).inp

005602168.b3lyp_6-31g(d).qchem.inp (generated)

005602168.b3lyp_6-31g(d).gjf (generated)

005602168.b3lyp_6-31g(d).firefly.inp (generated)

005602168.b3lyp_6-31g(d).smash.inp (generated)

005602168.b3lyp_6-31g(d).nwchem.inp (generated) 005602168.b3lyp_6-31g(d).log.xz 005602168.td-b3lyp_6-31g+(d).inp 005602168.td-b3lyp_6-31g+(d).log.xz

005602168.td-b3lyp_6-31+g(d).qchem.inp (generated)

005602168.td-b3lyp_6-31+g(d).gjf (generated)

005602168.td-b3lyp_6-31+g(d).firefly.inp (generated)

005602168.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005602168.mol 005602168.PUBCHEM 005602168.mol (via Jmol)
005602176.b3lyp_6-31g(d).inp

005602176.b3lyp_6-31g(d).qchem.inp (generated)

005602176.b3lyp_6-31g(d).gjf (generated)

005602176.b3lyp_6-31g(d).firefly.inp (generated)

005602176.b3lyp_6-31g(d).smash.inp (generated)

005602176.b3lyp_6-31g(d).nwchem.inp (generated) 005602176.b3lyp_6-31g(d).log.xz 005602176.td-b3lyp_6-31g+(d).inp 005602176.td-b3lyp_6-31g+(d).log.xz

005602176.td-b3lyp_6-31+g(d).qchem.inp (generated)

005602176.td-b3lyp_6-31+g(d).gjf (generated)

005602176.td-b3lyp_6-31+g(d).firefly.inp (generated)

005602176.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005602176.mol 005602176.PUBCHEM 005602176.mol (via Jmol)
005602297.b3lyp_6-31g(d).inp

005602297.b3lyp_6-31g(d).qchem.inp (generated)

005602297.b3lyp_6-31g(d).gjf (generated)

005602297.b3lyp_6-31g(d).firefly.inp (generated)

005602297.b3lyp_6-31g(d).smash.inp (generated)

005602297.b3lyp_6-31g(d).nwchem.inp (generated) 005602297.b3lyp_6-31g(d).log.xz 005602297.td-b3lyp_6-31g+(d).inp 005602297.td-b3lyp_6-31g+(d).log.xz

005602297.td-b3lyp_6-31+g(d).qchem.inp (generated)

005602297.td-b3lyp_6-31+g(d).gjf (generated)

005602297.td-b3lyp_6-31+g(d).firefly.inp (generated)

005602297.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005602297.mol 005602297.PUBCHEM 005602297.mol (via Jmol)
005602442.b3lyp_6-31g(d).inp

005602442.b3lyp_6-31g(d).qchem.inp (generated)

005602442.b3lyp_6-31g(d).gjf (generated)

005602442.b3lyp_6-31g(d).firefly.inp (generated)

005602442.b3lyp_6-31g(d).smash.inp (generated)

005602442.b3lyp_6-31g(d).nwchem.inp (generated) 005602442.b3lyp_6-31g(d).log.xz 005602442.td-b3lyp_6-31g+(d).inp 005602442.td-b3lyp_6-31g+(d).log.xz

005602442.td-b3lyp_6-31+g(d).qchem.inp (generated)

005602442.td-b3lyp_6-31+g(d).gjf (generated)

005602442.td-b3lyp_6-31+g(d).firefly.inp (generated)

005602442.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005602442.mol 005602442.PUBCHEM 005602442.mol (via Jmol)
005602682.b3lyp_6-31g(d).inp

005602682.b3lyp_6-31g(d).qchem.inp (generated)

005602682.b3lyp_6-31g(d).gjf (generated)

005602682.b3lyp_6-31g(d).firefly.inp (generated)

005602682.b3lyp_6-31g(d).smash.inp (generated)

005602682.b3lyp_6-31g(d).nwchem.inp (generated) 005602682.b3lyp_6-31g(d).log.xz 005602682.td-b3lyp_6-31g+(d).inp 005602682.td-b3lyp_6-31g+(d).log.xz

005602682.td-b3lyp_6-31+g(d).qchem.inp (generated)

005602682.td-b3lyp_6-31+g(d).gjf (generated)

005602682.td-b3lyp_6-31+g(d).firefly.inp (generated)

005602682.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005602682.mol 005602682.PUBCHEM 005602682.mol (via Jmol)
005602734.b3lyp_6-31g(d).inp

005602734.b3lyp_6-31g(d).qchem.inp (generated)

005602734.b3lyp_6-31g(d).gjf (generated)

005602734.b3lyp_6-31g(d).firefly.inp (generated)

005602734.b3lyp_6-31g(d).smash.inp (generated)

005602734.b3lyp_6-31g(d).nwchem.inp (generated) 005602734.b3lyp_6-31g(d).log.xz 005602734.mol 005602734.PUBCHEM 005602734.mol (via Jmol)
005603181.b3lyp_6-31g(d).inp

005603181.b3lyp_6-31g(d).qchem.inp (generated)

005603181.b3lyp_6-31g(d).gjf (generated)

005603181.b3lyp_6-31g(d).firefly.inp (generated)

005603181.b3lyp_6-31g(d).smash.inp (generated)

005603181.b3lyp_6-31g(d).nwchem.inp (generated) 005603181.b3lyp_6-31g(d).log.xz 005603181.td-b3lyp_6-31g+(d).inp 005603181.td-b3lyp_6-31g+(d).log.xz

005603181.td-b3lyp_6-31+g(d).qchem.inp (generated)

005603181.td-b3lyp_6-31+g(d).gjf (generated)

005603181.td-b3lyp_6-31+g(d).firefly.inp (generated)

005603181.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005603181.mol 005603181.PUBCHEM 005603181.mol (via Jmol)
005603496.b3lyp_6-31g(d).inp

005603496.b3lyp_6-31g(d).qchem.inp (generated)

005603496.b3lyp_6-31g(d).gjf (generated)

005603496.b3lyp_6-31g(d).firefly.inp (generated)

005603496.b3lyp_6-31g(d).smash.inp (generated)

005603496.b3lyp_6-31g(d).nwchem.inp (generated) 005603496.b3lyp_6-31g(d).log.xz 005603496.td-b3lyp_6-31g+(d).inp 005603496.td-b3lyp_6-31g+(d).log.xz

005603496.td-b3lyp_6-31+g(d).qchem.inp (generated)

005603496.td-b3lyp_6-31+g(d).gjf (generated)

005603496.td-b3lyp_6-31+g(d).firefly.inp (generated)

005603496.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005603496.mol 005603496.PUBCHEM 005603496.mol (via Jmol)
005604337.b3lyp_6-31g(d).inp

005604337.b3lyp_6-31g(d).qchem.inp (generated)

005604337.b3lyp_6-31g(d).gjf (generated)

005604337.b3lyp_6-31g(d).firefly.inp (generated)

005604337.b3lyp_6-31g(d).smash.inp (generated)

005604337.b3lyp_6-31g(d).nwchem.inp (generated) 005604337.b3lyp_6-31g(d).log.xz 005604337.td-b3lyp_6-31g+(d).inp 005604337.td-b3lyp_6-31g+(d).log.xz

005604337.td-b3lyp_6-31+g(d).qchem.inp (generated)

005604337.td-b3lyp_6-31+g(d).gjf (generated)

005604337.td-b3lyp_6-31+g(d).firefly.inp (generated)

005604337.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005604337.mol 005604337.PUBCHEM 005604337.mol (via Jmol)
005605785.b3lyp_6-31g(d).inp

005605785.b3lyp_6-31g(d).qchem.inp (generated)

005605785.b3lyp_6-31g(d).gjf (generated)

005605785.b3lyp_6-31g(d).firefly.inp (generated)

005605785.b3lyp_6-31g(d).smash.inp (generated)

005605785.b3lyp_6-31g(d).nwchem.inp (generated) 005605785.b3lyp_6-31g(d).log.xz 005605785.td-b3lyp_6-31g+(d).inp 005605785.td-b3lyp_6-31g+(d).log.xz

005605785.td-b3lyp_6-31+g(d).qchem.inp (generated)

005605785.td-b3lyp_6-31+g(d).gjf (generated)

005605785.td-b3lyp_6-31+g(d).firefly.inp (generated)

005605785.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005605785.mol 005605785.PUBCHEM 005605785.mol (via Jmol)
005605845.b3lyp_6-31g(d).inp

005605845.b3lyp_6-31g(d).qchem.inp (generated)

005605845.b3lyp_6-31g(d).gjf (generated)

005605845.b3lyp_6-31g(d).firefly.inp (generated)

005605845.b3lyp_6-31g(d).smash.inp (generated)

005605845.b3lyp_6-31g(d).nwchem.inp (generated) 005605845.b3lyp_6-31g(d).log.xz 005605845.td-b3lyp_6-31g+(d).inp 005605845.td-b3lyp_6-31g+(d).log.xz

005605845.td-b3lyp_6-31+g(d).qchem.inp (generated)

005605845.td-b3lyp_6-31+g(d).gjf (generated)

005605845.td-b3lyp_6-31+g(d).firefly.inp (generated)

005605845.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005605845.mol 005605845.PUBCHEM 005605845.mol (via Jmol)
005606732.b3lyp_6-31g(d).inp

005606732.b3lyp_6-31g(d).qchem.inp (generated)

005606732.b3lyp_6-31g(d).gjf (generated)

005606732.b3lyp_6-31g(d).firefly.inp (generated)

005606732.b3lyp_6-31g(d).smash.inp (generated)

005606732.b3lyp_6-31g(d).nwchem.inp (generated) 005606732.b3lyp_6-31g(d).log.xz 005606732.td-b3lyp_6-31g+(d).inp 005606732.td-b3lyp_6-31g+(d).log.xz

005606732.td-b3lyp_6-31+g(d).qchem.inp (generated)

005606732.td-b3lyp_6-31+g(d).gjf (generated)

005606732.td-b3lyp_6-31+g(d).firefly.inp (generated)

005606732.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005606732.mol 005606732.PUBCHEM 005606732.mol (via Jmol)
005607711.b3lyp_6-31g(d).inp

005607711.b3lyp_6-31g(d).qchem.inp (generated)

005607711.b3lyp_6-31g(d).gjf (generated)

005607711.b3lyp_6-31g(d).firefly.inp (generated)

005607711.b3lyp_6-31g(d).smash.inp (generated)

005607711.b3lyp_6-31g(d).nwchem.inp (generated) 005607711.b3lyp_6-31g(d).log.xz 005607711.td-b3lyp_6-31g+(d).inp 005607711.td-b3lyp_6-31g+(d).log.xz

005607711.td-b3lyp_6-31+g(d).qchem.inp (generated)

005607711.td-b3lyp_6-31+g(d).gjf (generated)

005607711.td-b3lyp_6-31+g(d).firefly.inp (generated)

005607711.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005607711.mol 005607711.PUBCHEM 005607711.mol (via Jmol)
005607793.b3lyp_6-31g(d).inp

005607793.b3lyp_6-31g(d).qchem.inp (generated)

005607793.b3lyp_6-31g(d).gjf (generated)

005607793.b3lyp_6-31g(d).firefly.inp (generated)

005607793.b3lyp_6-31g(d).smash.inp (generated)

005607793.b3lyp_6-31g(d).nwchem.inp (generated) 005607793.b3lyp_6-31g(d).log.xz 005607793.td-b3lyp_6-31g+(d).inp 005607793.td-b3lyp_6-31g+(d).log.xz

005607793.td-b3lyp_6-31+g(d).qchem.inp (generated)

005607793.td-b3lyp_6-31+g(d).gjf (generated)

005607793.td-b3lyp_6-31+g(d).firefly.inp (generated)

005607793.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005607793.mol 005607793.PUBCHEM 005607793.mol (via Jmol)
005608035.b3lyp_6-31g(d).inp

005608035.b3lyp_6-31g(d).qchem.inp (generated)

005608035.b3lyp_6-31g(d).gjf (generated)

005608035.b3lyp_6-31g(d).firefly.inp (generated)

005608035.b3lyp_6-31g(d).smash.inp (generated)

005608035.b3lyp_6-31g(d).nwchem.inp (generated) 005608035.b3lyp_6-31g(d).log.xz 005608035.td-b3lyp_6-31g+(d).inp 005608035.td-b3lyp_6-31g+(d).log.xz

005608035.td-b3lyp_6-31+g(d).qchem.inp (generated)

005608035.td-b3lyp_6-31+g(d).gjf (generated)

005608035.td-b3lyp_6-31+g(d).firefly.inp (generated)

005608035.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005608035.mol 005608035.PUBCHEM 005608035.mol (via Jmol)
005608623.b3lyp_6-31g(d).inp

005608623.b3lyp_6-31g(d).qchem.inp (generated)

005608623.b3lyp_6-31g(d).gjf (generated)

005608623.b3lyp_6-31g(d).firefly.inp (generated)

005608623.b3lyp_6-31g(d).smash.inp (generated)

005608623.b3lyp_6-31g(d).nwchem.inp (generated) 005608623.b3lyp_6-31g(d).log.xz 005608623.td-b3lyp_6-31g+(d).inp 005608623.td-b3lyp_6-31g+(d).log.xz

005608623.td-b3lyp_6-31+g(d).qchem.inp (generated)

005608623.td-b3lyp_6-31+g(d).gjf (generated)

005608623.td-b3lyp_6-31+g(d).firefly.inp (generated)

005608623.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005608623.mol 005608623.PUBCHEM 005608623.mol (via Jmol)
005608801.b3lyp_6-31g(d).inp

005608801.b3lyp_6-31g(d).qchem.inp (generated)

005608801.b3lyp_6-31g(d).gjf (generated)

005608801.b3lyp_6-31g(d).firefly.inp (generated)

005608801.b3lyp_6-31g(d).smash.inp (generated)

005608801.b3lyp_6-31g(d).nwchem.inp (generated) 005608801.b3lyp_6-31g(d).log.xz 005608801.td-b3lyp_6-31g+(d).inp 005608801.td-b3lyp_6-31g+(d).log.xz

005608801.td-b3lyp_6-31+g(d).qchem.inp (generated)

005608801.td-b3lyp_6-31+g(d).gjf (generated)

005608801.td-b3lyp_6-31+g(d).firefly.inp (generated)

005608801.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005608801.mol 005608801.PUBCHEM 005608801.mol (via Jmol)
005608802.b3lyp_6-31g(d).inp

005608802.b3lyp_6-31g(d).qchem.inp (generated)

005608802.b3lyp_6-31g(d).gjf (generated)

005608802.b3lyp_6-31g(d).firefly.inp (generated)

005608802.b3lyp_6-31g(d).smash.inp (generated)

005608802.b3lyp_6-31g(d).nwchem.inp (generated) 005608802.b3lyp_6-31g(d).log.xz 005608802.td-b3lyp_6-31g+(d).inp 005608802.td-b3lyp_6-31g+(d).log.xz

005608802.td-b3lyp_6-31+g(d).qchem.inp (generated)

005608802.td-b3lyp_6-31+g(d).gjf (generated)

005608802.td-b3lyp_6-31+g(d).firefly.inp (generated)

005608802.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005608802.mol 005608802.PUBCHEM 005608802.mol (via Jmol)
005610358.b3lyp_6-31g(d).inp

005610358.b3lyp_6-31g(d).qchem.inp (generated)

005610358.b3lyp_6-31g(d).gjf (generated)

005610358.b3lyp_6-31g(d).firefly.inp (generated)

005610358.b3lyp_6-31g(d).smash.inp (generated)

005610358.b3lyp_6-31g(d).nwchem.inp (generated) 005610358.b3lyp_6-31g(d).log.xz 005610358.td-b3lyp_6-31g+(d).inp 005610358.td-b3lyp_6-31g+(d).log.xz

005610358.td-b3lyp_6-31+g(d).qchem.inp (generated)

005610358.td-b3lyp_6-31+g(d).gjf (generated)

005610358.td-b3lyp_6-31+g(d).firefly.inp (generated)

005610358.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005610358.mol 005610358.PUBCHEM 005610358.mol (via Jmol)
005611176.b3lyp_6-31g(d).inp

005611176.b3lyp_6-31g(d).qchem.inp (generated)

005611176.b3lyp_6-31g(d).gjf (generated)

005611176.b3lyp_6-31g(d).firefly.inp (generated)

005611176.b3lyp_6-31g(d).smash.inp (generated)

005611176.b3lyp_6-31g(d).nwchem.inp (generated) 005611176.b3lyp_6-31g(d).log.xz 005611176.td-b3lyp_6-31g+(d).inp 005611176.td-b3lyp_6-31g+(d).log.xz

005611176.td-b3lyp_6-31+g(d).qchem.inp (generated)

005611176.td-b3lyp_6-31+g(d).gjf (generated)

005611176.td-b3lyp_6-31+g(d).firefly.inp (generated)

005611176.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005611176.mol 005611176.PUBCHEM 005611176.mol (via Jmol)
005611510.b3lyp_6-31g(d).inp

005611510.b3lyp_6-31g(d).qchem.inp (generated)

005611510.b3lyp_6-31g(d).gjf (generated)

005611510.b3lyp_6-31g(d).firefly.inp (generated)

005611510.b3lyp_6-31g(d).smash.inp (generated)

005611510.b3lyp_6-31g(d).nwchem.inp (generated) 005611510.b3lyp_6-31g(d).log.xz 005611510.td-b3lyp_6-31g+(d).inp 005611510.td-b3lyp_6-31g+(d).log.xz

005611510.td-b3lyp_6-31+g(d).qchem.inp (generated)

005611510.td-b3lyp_6-31+g(d).gjf (generated)

005611510.td-b3lyp_6-31+g(d).firefly.inp (generated)

005611510.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005611510.mol 005611510.PUBCHEM 005611510.mol (via Jmol)
005612826.b3lyp_6-31g(d).inp

005612826.b3lyp_6-31g(d).qchem.inp (generated)

005612826.b3lyp_6-31g(d).gjf (generated)

005612826.b3lyp_6-31g(d).firefly.inp (generated)

005612826.b3lyp_6-31g(d).smash.inp (generated)

005612826.b3lyp_6-31g(d).nwchem.inp (generated) 005612826.b3lyp_6-31g(d).log.xz 005612826.td-b3lyp_6-31g+(d).inp 005612826.td-b3lyp_6-31g+(d).log.xz

005612826.td-b3lyp_6-31+g(d).qchem.inp (generated)

005612826.td-b3lyp_6-31+g(d).gjf (generated)

005612826.td-b3lyp_6-31+g(d).firefly.inp (generated)

005612826.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005612826.mol 005612826.PUBCHEM 005612826.mol (via Jmol)
005613808.b3lyp_6-31g(d).inp

005613808.b3lyp_6-31g(d).qchem.inp (generated)

005613808.b3lyp_6-31g(d).gjf (generated)

005613808.b3lyp_6-31g(d).firefly.inp (generated)

005613808.b3lyp_6-31g(d).smash.inp (generated)

005613808.b3lyp_6-31g(d).nwchem.inp (generated) 005613808.b3lyp_6-31g(d).log.xz 005613808.td-b3lyp_6-31g+(d).inp 005613808.td-b3lyp_6-31g+(d).log.xz

005613808.td-b3lyp_6-31+g(d).qchem.inp (generated)

005613808.td-b3lyp_6-31+g(d).gjf (generated)

005613808.td-b3lyp_6-31+g(d).firefly.inp (generated)

005613808.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005613808.mol 005613808.PUBCHEM 005613808.mol (via Jmol)
005614552.b3lyp_6-31g(d).inp

005614552.b3lyp_6-31g(d).qchem.inp (generated)

005614552.b3lyp_6-31g(d).gjf (generated)

005614552.b3lyp_6-31g(d).firefly.inp (generated)

005614552.b3lyp_6-31g(d).smash.inp (generated)

005614552.b3lyp_6-31g(d).nwchem.inp (generated) 005614552.b3lyp_6-31g(d).log.xz 005614552.td-b3lyp_6-31g+(d).inp 005614552.td-b3lyp_6-31g+(d).log.xz

005614552.td-b3lyp_6-31+g(d).qchem.inp (generated)

005614552.td-b3lyp_6-31+g(d).gjf (generated)

005614552.td-b3lyp_6-31+g(d).firefly.inp (generated)

005614552.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005614552.mol 005614552.PUBCHEM 005614552.mol (via Jmol)
005614848.b3lyp_6-31g(d).inp

005614848.b3lyp_6-31g(d).qchem.inp (generated)

005614848.b3lyp_6-31g(d).gjf (generated)

005614848.b3lyp_6-31g(d).firefly.inp (generated)

005614848.b3lyp_6-31g(d).smash.inp (generated)

005614848.b3lyp_6-31g(d).nwchem.inp (generated) 005614848.b3lyp_6-31g(d).log.xz 005614848.mol 005614848.PUBCHEM 005614848.mol (via Jmol)
005615186.b3lyp_6-31g(d).inp

005615186.b3lyp_6-31g(d).qchem.inp (generated)

005615186.b3lyp_6-31g(d).gjf (generated)

005615186.b3lyp_6-31g(d).firefly.inp (generated)

005615186.b3lyp_6-31g(d).smash.inp (generated)

005615186.b3lyp_6-31g(d).nwchem.inp (generated) 005615186.b3lyp_6-31g(d).log.xz 005615186.td-b3lyp_6-31g+(d).inp 005615186.td-b3lyp_6-31g+(d).log.xz

005615186.td-b3lyp_6-31+g(d).qchem.inp (generated)

005615186.td-b3lyp_6-31+g(d).gjf (generated)

005615186.td-b3lyp_6-31+g(d).firefly.inp (generated)

005615186.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005615186.mol 005615186.PUBCHEM 005615186.mol (via Jmol)
005615379.b3lyp_6-31g(d).inp

005615379.b3lyp_6-31g(d).qchem.inp (generated)

005615379.b3lyp_6-31g(d).gjf (generated)

005615379.b3lyp_6-31g(d).firefly.inp (generated)

005615379.b3lyp_6-31g(d).smash.inp (generated)

005615379.b3lyp_6-31g(d).nwchem.inp (generated) 005615379.b3lyp_6-31g(d).log.xz 005615379.td-b3lyp_6-31g+(d).inp 005615379.td-b3lyp_6-31g+(d).log.xz

005615379.td-b3lyp_6-31+g(d).qchem.inp (generated)

005615379.td-b3lyp_6-31+g(d).gjf (generated)

005615379.td-b3lyp_6-31+g(d).firefly.inp (generated)

005615379.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005615379.mol 005615379.PUBCHEM 005615379.mol (via Jmol)
005615653.b3lyp_6-31g(d).inp

005615653.b3lyp_6-31g(d).qchem.inp (generated)

005615653.b3lyp_6-31g(d).gjf (generated)

005615653.b3lyp_6-31g(d).firefly.inp (generated)

005615653.b3lyp_6-31g(d).smash.inp (generated)

005615653.b3lyp_6-31g(d).nwchem.inp (generated) 005615653.b3lyp_6-31g(d).log.xz 005615653.td-b3lyp_6-31g+(d).inp 005615653.td-b3lyp_6-31g+(d).log.xz

005615653.td-b3lyp_6-31+g(d).qchem.inp (generated)

005615653.td-b3lyp_6-31+g(d).gjf (generated)

005615653.td-b3lyp_6-31+g(d).firefly.inp (generated)

005615653.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005615653.mol 005615653.PUBCHEM 005615653.mol (via Jmol)
005616441.b3lyp_6-31g(d).inp

005616441.b3lyp_6-31g(d).qchem.inp (generated)

005616441.b3lyp_6-31g(d).gjf (generated)

005616441.b3lyp_6-31g(d).firefly.inp (generated)

005616441.b3lyp_6-31g(d).smash.inp (generated)

005616441.b3lyp_6-31g(d).nwchem.inp (generated) 005616441.b3lyp_6-31g(d).log.xz 005616441.td-b3lyp_6-31g+(d).inp 005616441.td-b3lyp_6-31g+(d).log.xz

005616441.td-b3lyp_6-31+g(d).qchem.inp (generated)

005616441.td-b3lyp_6-31+g(d).gjf (generated)

005616441.td-b3lyp_6-31+g(d).firefly.inp (generated)

005616441.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005616441.mol 005616441.PUBCHEM 005616441.mol (via Jmol)
005617094.b3lyp_6-31g(d).inp

005617094.b3lyp_6-31g(d).qchem.inp (generated)

005617094.b3lyp_6-31g(d).gjf (generated)

005617094.b3lyp_6-31g(d).firefly.inp (generated)

005617094.b3lyp_6-31g(d).smash.inp (generated)

005617094.b3lyp_6-31g(d).nwchem.inp (generated) 005617094.b3lyp_6-31g(d).log.xz 005617094.td-b3lyp_6-31g+(d).inp 005617094.td-b3lyp_6-31g+(d).log.xz

005617094.td-b3lyp_6-31+g(d).qchem.inp (generated)

005617094.td-b3lyp_6-31+g(d).gjf (generated)

005617094.td-b3lyp_6-31+g(d).firefly.inp (generated)

005617094.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005617094.mol 005617094.PUBCHEM 005617094.mol (via Jmol)
005617289.b3lyp_6-31g(d).inp

005617289.b3lyp_6-31g(d).qchem.inp (generated)

005617289.b3lyp_6-31g(d).gjf (generated)

005617289.b3lyp_6-31g(d).firefly.inp (generated)

005617289.b3lyp_6-31g(d).smash.inp (generated)

005617289.b3lyp_6-31g(d).nwchem.inp (generated) 005617289.b3lyp_6-31g(d).log.xz 005617289.td-b3lyp_6-31g+(d).inp 005617289.td-b3lyp_6-31g+(d).log.xz

005617289.td-b3lyp_6-31+g(d).qchem.inp (generated)

005617289.td-b3lyp_6-31+g(d).gjf (generated)

005617289.td-b3lyp_6-31+g(d).firefly.inp (generated)

005617289.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005617289.mol 005617289.PUBCHEM 005617289.mol (via Jmol)
005617381.b3lyp_6-31g(d).inp

005617381.b3lyp_6-31g(d).qchem.inp (generated)

005617381.b3lyp_6-31g(d).gjf (generated)

005617381.b3lyp_6-31g(d).firefly.inp (generated)

005617381.b3lyp_6-31g(d).smash.inp (generated)

005617381.b3lyp_6-31g(d).nwchem.inp (generated) 005617381.b3lyp_6-31g(d).log.xz 005617381.td-b3lyp_6-31g+(d).inp 005617381.td-b3lyp_6-31g+(d).log.xz

005617381.td-b3lyp_6-31+g(d).qchem.inp (generated)

005617381.td-b3lyp_6-31+g(d).gjf (generated)

005617381.td-b3lyp_6-31+g(d).firefly.inp (generated)

005617381.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005617381.mol 005617381.PUBCHEM 005617381.mol (via Jmol)
005617410.b3lyp_6-31g(d).inp

005617410.b3lyp_6-31g(d).qchem.inp (generated)

005617410.b3lyp_6-31g(d).gjf (generated)

005617410.b3lyp_6-31g(d).firefly.inp (generated)

005617410.b3lyp_6-31g(d).smash.inp (generated)

005617410.b3lyp_6-31g(d).nwchem.inp (generated) 005617410.b3lyp_6-31g(d).log.xz 005617410.td-b3lyp_6-31g+(d).inp 005617410.td-b3lyp_6-31g+(d).log.xz

005617410.td-b3lyp_6-31+g(d).qchem.inp (generated)

005617410.td-b3lyp_6-31+g(d).gjf (generated)

005617410.td-b3lyp_6-31+g(d).firefly.inp (generated)

005617410.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005617410.mol 005617410.PUBCHEM 005617410.mol (via Jmol)
005618103.b3lyp_6-31g(d).inp

005618103.b3lyp_6-31g(d).qchem.inp (generated)

005618103.b3lyp_6-31g(d).gjf (generated)

005618103.b3lyp_6-31g(d).firefly.inp (generated)

005618103.b3lyp_6-31g(d).smash.inp (generated)

005618103.b3lyp_6-31g(d).nwchem.inp (generated) 005618103.b3lyp_6-31g(d).log.xz 005618103.td-b3lyp_6-31g+(d).inp 005618103.td-b3lyp_6-31g+(d).log.xz

005618103.td-b3lyp_6-31+g(d).qchem.inp (generated)

005618103.td-b3lyp_6-31+g(d).gjf (generated)

005618103.td-b3lyp_6-31+g(d).firefly.inp (generated)

005618103.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005618103.mol 005618103.PUBCHEM 005618103.mol (via Jmol)
005618104.b3lyp_6-31g(d).inp

005618104.b3lyp_6-31g(d).qchem.inp (generated)

005618104.b3lyp_6-31g(d).gjf (generated)

005618104.b3lyp_6-31g(d).firefly.inp (generated)

005618104.b3lyp_6-31g(d).smash.inp (generated)

005618104.b3lyp_6-31g(d).nwchem.inp (generated) 005618104.b3lyp_6-31g(d).log.xz 005618104.td-b3lyp_6-31g+(d).inp 005618104.td-b3lyp_6-31g+(d).log.xz

005618104.td-b3lyp_6-31+g(d).qchem.inp (generated)

005618104.td-b3lyp_6-31+g(d).gjf (generated)

005618104.td-b3lyp_6-31+g(d).firefly.inp (generated)

005618104.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005618104.mol 005618104.PUBCHEM 005618104.mol (via Jmol)
005618105.b3lyp_6-31g(d).inp

005618105.b3lyp_6-31g(d).qchem.inp (generated)

005618105.b3lyp_6-31g(d).gjf (generated)

005618105.b3lyp_6-31g(d).firefly.inp (generated)

005618105.b3lyp_6-31g(d).smash.inp (generated)

005618105.b3lyp_6-31g(d).nwchem.inp (generated) 005618105.b3lyp_6-31g(d).log.xz 005618105.mol 005618105.PUBCHEM 005618105.mol (via Jmol)
005618365.b3lyp_6-31g(d).inp

005618365.b3lyp_6-31g(d).qchem.inp (generated)

005618365.b3lyp_6-31g(d).gjf (generated)

005618365.b3lyp_6-31g(d).firefly.inp (generated)

005618365.b3lyp_6-31g(d).smash.inp (generated)

005618365.b3lyp_6-31g(d).nwchem.inp (generated) 005618365.b3lyp_6-31g(d).log.xz 005618365.td-b3lyp_6-31g+(d).inp 005618365.td-b3lyp_6-31g+(d).log.xz

005618365.td-b3lyp_6-31+g(d).qchem.inp (generated)

005618365.td-b3lyp_6-31+g(d).gjf (generated)

005618365.td-b3lyp_6-31+g(d).firefly.inp (generated)

005618365.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005618365.mol 005618365.PUBCHEM 005618365.mol (via Jmol)
005620243.b3lyp_6-31g(d).inp

005620243.b3lyp_6-31g(d).qchem.inp (generated)

005620243.b3lyp_6-31g(d).gjf (generated)

005620243.b3lyp_6-31g(d).firefly.inp (generated)

005620243.b3lyp_6-31g(d).smash.inp (generated)

005620243.b3lyp_6-31g(d).nwchem.inp (generated) 005620243.b3lyp_6-31g(d).log.xz 005620243.td-b3lyp_6-31g+(d).inp 005620243.td-b3lyp_6-31g+(d).log.xz

005620243.td-b3lyp_6-31+g(d).qchem.inp (generated)

005620243.td-b3lyp_6-31+g(d).gjf (generated)

005620243.td-b3lyp_6-31+g(d).firefly.inp (generated)

005620243.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005620243.mol 005620243.PUBCHEM 005620243.mol (via Jmol)
005620441.b3lyp_6-31g(d).inp

005620441.b3lyp_6-31g(d).qchem.inp (generated)

005620441.b3lyp_6-31g(d).gjf (generated)

005620441.b3lyp_6-31g(d).firefly.inp (generated)

005620441.b3lyp_6-31g(d).smash.inp (generated)

005620441.b3lyp_6-31g(d).nwchem.inp (generated) 005620441.b3lyp_6-31g(d).log.xz 005620441.td-b3lyp_6-31g+(d).inp 005620441.td-b3lyp_6-31g+(d).log.xz

005620441.td-b3lyp_6-31+g(d).qchem.inp (generated)

005620441.td-b3lyp_6-31+g(d).gjf (generated)

005620441.td-b3lyp_6-31+g(d).firefly.inp (generated)

005620441.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005620441.mol 005620441.PUBCHEM 005620441.mol (via Jmol)
005620543.b3lyp_6-31g(d).inp

005620543.b3lyp_6-31g(d).qchem.inp (generated)

005620543.b3lyp_6-31g(d).gjf (generated)

005620543.b3lyp_6-31g(d).firefly.inp (generated)

005620543.b3lyp_6-31g(d).smash.inp (generated)

005620543.b3lyp_6-31g(d).nwchem.inp (generated) 005620543.b3lyp_6-31g(d).log.xz 005620543.td-b3lyp_6-31g+(d).inp 005620543.td-b3lyp_6-31g+(d).log.xz

005620543.td-b3lyp_6-31+g(d).qchem.inp (generated)

005620543.td-b3lyp_6-31+g(d).gjf (generated)

005620543.td-b3lyp_6-31+g(d).firefly.inp (generated)

005620543.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005620543.mol 005620543.PUBCHEM 005620543.mol (via Jmol)
005622128.b3lyp_6-31g(d).inp

005622128.b3lyp_6-31g(d).qchem.inp (generated)

005622128.b3lyp_6-31g(d).gjf (generated)

005622128.b3lyp_6-31g(d).firefly.inp (generated)

005622128.b3lyp_6-31g(d).smash.inp (generated)

005622128.b3lyp_6-31g(d).nwchem.inp (generated) 005622128.b3lyp_6-31g(d).log.xz 005622128.td-b3lyp_6-31g+(d).inp 005622128.td-b3lyp_6-31g+(d).log.xz

005622128.td-b3lyp_6-31+g(d).qchem.inp (generated)

005622128.td-b3lyp_6-31+g(d).gjf (generated)

005622128.td-b3lyp_6-31+g(d).firefly.inp (generated)

005622128.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005622128.mol 005622128.PUBCHEM 005622128.mol (via Jmol)
005622310.b3lyp_6-31g(d).inp

005622310.b3lyp_6-31g(d).qchem.inp (generated)

005622310.b3lyp_6-31g(d).gjf (generated)

005622310.b3lyp_6-31g(d).firefly.inp (generated)

005622310.b3lyp_6-31g(d).smash.inp (generated)

005622310.b3lyp_6-31g(d).nwchem.inp (generated) 005622310.b3lyp_6-31g(d).log.xz 005622310.td-b3lyp_6-31g+(d).inp 005622310.td-b3lyp_6-31g+(d).log.xz

005622310.td-b3lyp_6-31+g(d).qchem.inp (generated)

005622310.td-b3lyp_6-31+g(d).gjf (generated)

005622310.td-b3lyp_6-31+g(d).firefly.inp (generated)

005622310.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005622310.mol 005622310.PUBCHEM 005622310.mol (via Jmol)
005623081.b3lyp_6-31g(d).inp

005623081.b3lyp_6-31g(d).qchem.inp (generated)

005623081.b3lyp_6-31g(d).gjf (generated)

005623081.b3lyp_6-31g(d).firefly.inp (generated)

005623081.b3lyp_6-31g(d).smash.inp (generated)

005623081.b3lyp_6-31g(d).nwchem.inp (generated) 005623081.b3lyp_6-31g(d).log.xz 005623081.td-b3lyp_6-31g+(d).inp 005623081.td-b3lyp_6-31g+(d).log.xz

005623081.td-b3lyp_6-31+g(d).qchem.inp (generated)

005623081.td-b3lyp_6-31+g(d).gjf (generated)

005623081.td-b3lyp_6-31+g(d).firefly.inp (generated)

005623081.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005623081.mol 005623081.PUBCHEM 005623081.mol (via Jmol)
005623082.b3lyp_6-31g(d).inp

005623082.b3lyp_6-31g(d).qchem.inp (generated)

005623082.b3lyp_6-31g(d).gjf (generated)

005623082.b3lyp_6-31g(d).firefly.inp (generated)

005623082.b3lyp_6-31g(d).smash.inp (generated)

005623082.b3lyp_6-31g(d).nwchem.inp (generated) 005623082.b3lyp_6-31g(d).log.xz 005623082.td-b3lyp_6-31g+(d).inp 005623082.td-b3lyp_6-31g+(d).log.xz

005623082.td-b3lyp_6-31+g(d).qchem.inp (generated)

005623082.td-b3lyp_6-31+g(d).gjf (generated)

005623082.td-b3lyp_6-31+g(d).firefly.inp (generated)

005623082.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005623082.mol 005623082.PUBCHEM 005623082.mol (via Jmol)
005623626.b3lyp_6-31g(d).inp

005623626.b3lyp_6-31g(d).qchem.inp (generated)

005623626.b3lyp_6-31g(d).gjf (generated)

005623626.b3lyp_6-31g(d).firefly.inp (generated)

005623626.b3lyp_6-31g(d).smash.inp (generated)

005623626.b3lyp_6-31g(d).nwchem.inp (generated) 005623626.b3lyp_6-31g(d).log.xz 005623626.td-b3lyp_6-31g+(d).inp 005623626.td-b3lyp_6-31g+(d).log.xz

005623626.td-b3lyp_6-31+g(d).qchem.inp (generated)

005623626.td-b3lyp_6-31+g(d).gjf (generated)

005623626.td-b3lyp_6-31+g(d).firefly.inp (generated)

005623626.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005623626.mol 005623626.PUBCHEM 005623626.mol (via Jmol)
005624607.b3lyp_6-31g(d).inp

005624607.b3lyp_6-31g(d).qchem.inp (generated)

005624607.b3lyp_6-31g(d).gjf (generated)

005624607.b3lyp_6-31g(d).firefly.inp (generated)

005624607.b3lyp_6-31g(d).smash.inp (generated)

005624607.b3lyp_6-31g(d).nwchem.inp (generated) 005624607.b3lyp_6-31g(d).log.xz 005624607.td-b3lyp_6-31g+(d).inp 005624607.td-b3lyp_6-31g+(d).log.xz

005624607.td-b3lyp_6-31+g(d).qchem.inp (generated)

005624607.td-b3lyp_6-31+g(d).gjf (generated)

005624607.td-b3lyp_6-31+g(d).firefly.inp (generated)

005624607.td-b3lyp_6-31+g(d).nwchem.inp (generated) 005624607.mol 005624607.PUBCHEM 005624607.mol (via Jmol)


maho@riken.jp/maho.nakata@gmail.com