Index of

Last updated : Thu Jun 22 02:29:55 JST 2017
Total : 63 (43) in this page
051225258.b3lyp_6-31g(d).inp

051225258.b3lyp_6-31g(d).qchem.inp (generated)

051225258.b3lyp_6-31g(d).gjf (generated)

051225258.b3lyp_6-31g(d).firefly.inp (generated)

051225258.b3lyp_6-31g(d).smash.inp (generated)

051225258.b3lyp_6-31g(d).nwchem.inp (generated) 051225258.b3lyp_6-31g(d).log.xz 051225258.td-b3lyp_6-31g+(d).inp 051225258.td-b3lyp_6-31g+(d).log.xz

051225258.td-b3lyp_6-31+g(d).qchem.inp (generated)

051225258.td-b3lyp_6-31+g(d).gjf (generated)

051225258.td-b3lyp_6-31+g(d).firefly.inp (generated)

051225258.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051225258.mol 051225258.PUBCHEM 051225258.mol (via Jmol)
051225441.b3lyp_6-31g(d).inp

051225441.b3lyp_6-31g(d).qchem.inp (generated)

051225441.b3lyp_6-31g(d).gjf (generated)

051225441.b3lyp_6-31g(d).firefly.inp (generated)

051225441.b3lyp_6-31g(d).smash.inp (generated)

051225441.b3lyp_6-31g(d).nwchem.inp (generated) 051225441.b3lyp_6-31g(d).log.xz 051225441.td-b3lyp_6-31g+(d).inp 051225441.td-b3lyp_6-31g+(d).log.xz

051225441.td-b3lyp_6-31+g(d).qchem.inp (generated)

051225441.td-b3lyp_6-31+g(d).gjf (generated)

051225441.td-b3lyp_6-31+g(d).firefly.inp (generated)

051225441.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051225441.mol 051225441.PUBCHEM 051225441.mol (via Jmol)
051225498.b3lyp_6-31g(d).inp

051225498.b3lyp_6-31g(d).qchem.inp (generated)

051225498.b3lyp_6-31g(d).gjf (generated)

051225498.b3lyp_6-31g(d).firefly.inp (generated)

051225498.b3lyp_6-31g(d).smash.inp (generated)

051225498.b3lyp_6-31g(d).nwchem.inp (generated) 051225498.b3lyp_6-31g(d).log.xz 051225498.mol 051225498.PUBCHEM 051225498.mol (via Jmol)
051225532.b3lyp_6-31g(d).inp

051225532.b3lyp_6-31g(d).qchem.inp (generated)

051225532.b3lyp_6-31g(d).gjf (generated)

051225532.b3lyp_6-31g(d).firefly.inp (generated)

051225532.b3lyp_6-31g(d).smash.inp (generated)

051225532.b3lyp_6-31g(d).nwchem.inp (generated) 051225532.b3lyp_6-31g(d).log.xz 051225532.td-b3lyp_6-31g+(d).inp 051225532.td-b3lyp_6-31g+(d).log.xz

051225532.td-b3lyp_6-31+g(d).qchem.inp (generated)

051225532.td-b3lyp_6-31+g(d).gjf (generated)

051225532.td-b3lyp_6-31+g(d).firefly.inp (generated)

051225532.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051225532.mol 051225532.PUBCHEM 051225532.mol (via Jmol)
051225632.b3lyp_6-31g(d).inp

051225632.b3lyp_6-31g(d).qchem.inp (generated)

051225632.b3lyp_6-31g(d).gjf (generated)

051225632.b3lyp_6-31g(d).firefly.inp (generated)

051225632.b3lyp_6-31g(d).smash.inp (generated)

051225632.b3lyp_6-31g(d).nwchem.inp (generated) 051225632.b3lyp_6-31g(d).log.xz 051225632.td-b3lyp_6-31g+(d).inp 051225632.td-b3lyp_6-31g+(d).log.xz

051225632.td-b3lyp_6-31+g(d).qchem.inp (generated)

051225632.td-b3lyp_6-31+g(d).gjf (generated)

051225632.td-b3lyp_6-31+g(d).firefly.inp (generated)

051225632.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051225632.mol 051225632.PUBCHEM 051225632.mol (via Jmol)
051225850.b3lyp_6-31g(d).inp

051225850.b3lyp_6-31g(d).qchem.inp (generated)

051225850.b3lyp_6-31g(d).gjf (generated)

051225850.b3lyp_6-31g(d).firefly.inp (generated)

051225850.b3lyp_6-31g(d).smash.inp (generated)

051225850.b3lyp_6-31g(d).nwchem.inp (generated) 051225850.b3lyp_6-31g(d).log.xz 051225850.td-b3lyp_6-31g+(d).inp 051225850.td-b3lyp_6-31g+(d).log.xz

051225850.td-b3lyp_6-31+g(d).qchem.inp (generated)

051225850.td-b3lyp_6-31+g(d).gjf (generated)

051225850.td-b3lyp_6-31+g(d).firefly.inp (generated)

051225850.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051225850.mol 051225850.PUBCHEM 051225850.mol (via Jmol)
051226253.b3lyp_6-31g(d).inp

051226253.b3lyp_6-31g(d).qchem.inp (generated)

051226253.b3lyp_6-31g(d).gjf (generated)

051226253.b3lyp_6-31g(d).firefly.inp (generated)

051226253.b3lyp_6-31g(d).smash.inp (generated)

051226253.b3lyp_6-31g(d).nwchem.inp (generated) 051226253.b3lyp_6-31g(d).log.xz 051226253.td-b3lyp_6-31g+(d).inp 051226253.td-b3lyp_6-31g+(d).log.xz

051226253.td-b3lyp_6-31+g(d).qchem.inp (generated)

051226253.td-b3lyp_6-31+g(d).gjf (generated)

051226253.td-b3lyp_6-31+g(d).firefly.inp (generated)

051226253.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051226253.mol 051226253.PUBCHEM 051226253.mol (via Jmol)
051226641.b3lyp_6-31g(d).inp

051226641.b3lyp_6-31g(d).qchem.inp (generated)

051226641.b3lyp_6-31g(d).gjf (generated)

051226641.b3lyp_6-31g(d).firefly.inp (generated)

051226641.b3lyp_6-31g(d).smash.inp (generated)

051226641.b3lyp_6-31g(d).nwchem.inp (generated) 051226641.b3lyp_6-31g(d).log.xz 051226641.td-b3lyp_6-31g+(d).inp 051226641.td-b3lyp_6-31g+(d).log.xz

051226641.td-b3lyp_6-31+g(d).qchem.inp (generated)

051226641.td-b3lyp_6-31+g(d).gjf (generated)

051226641.td-b3lyp_6-31+g(d).firefly.inp (generated)

051226641.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051226641.mol 051226641.PUBCHEM 051226641.mol (via Jmol)
051226998.b3lyp_6-31g(d).inp

051226998.b3lyp_6-31g(d).qchem.inp (generated)

051226998.b3lyp_6-31g(d).gjf (generated)

051226998.b3lyp_6-31g(d).firefly.inp (generated)

051226998.b3lyp_6-31g(d).smash.inp (generated)

051226998.b3lyp_6-31g(d).nwchem.inp (generated) 051226998.b3lyp_6-31g(d).log.xz 051226998.td-b3lyp_6-31g+(d).inp 051226998.td-b3lyp_6-31g+(d).log.xz

051226998.td-b3lyp_6-31+g(d).qchem.inp (generated)

051226998.td-b3lyp_6-31+g(d).gjf (generated)

051226998.td-b3lyp_6-31+g(d).firefly.inp (generated)

051226998.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051226998.mol 051226998.PUBCHEM 051226998.mol (via Jmol)
051227808.b3lyp_6-31g(d).inp

051227808.b3lyp_6-31g(d).qchem.inp (generated)

051227808.b3lyp_6-31g(d).gjf (generated)

051227808.b3lyp_6-31g(d).firefly.inp (generated)

051227808.b3lyp_6-31g(d).smash.inp (generated)

051227808.b3lyp_6-31g(d).nwchem.inp (generated) 051227808.b3lyp_6-31g(d).log.xz 051227808.mol 051227808.PUBCHEM 051227808.mol (via Jmol)
051228166.b3lyp_6-31g(d).inp

051228166.b3lyp_6-31g(d).qchem.inp (generated)

051228166.b3lyp_6-31g(d).gjf (generated)

051228166.b3lyp_6-31g(d).firefly.inp (generated)

051228166.b3lyp_6-31g(d).smash.inp (generated)

051228166.b3lyp_6-31g(d).nwchem.inp (generated) 051228166.b3lyp_6-31g(d).log.xz 051228166.mol 051228166.PUBCHEM 051228166.mol (via Jmol)
051228629.b3lyp_6-31g(d).inp

051228629.b3lyp_6-31g(d).qchem.inp (generated)

051228629.b3lyp_6-31g(d).gjf (generated)

051228629.b3lyp_6-31g(d).firefly.inp (generated)

051228629.b3lyp_6-31g(d).smash.inp (generated)

051228629.b3lyp_6-31g(d).nwchem.inp (generated) 051228629.b3lyp_6-31g(d).log.xz 051228629.mol 051228629.PUBCHEM 051228629.mol (via Jmol)
051228898.b3lyp_6-31g(d).inp

051228898.b3lyp_6-31g(d).qchem.inp (generated)

051228898.b3lyp_6-31g(d).gjf (generated)

051228898.b3lyp_6-31g(d).firefly.inp (generated)

051228898.b3lyp_6-31g(d).smash.inp (generated)

051228898.b3lyp_6-31g(d).nwchem.inp (generated) 051228898.b3lyp_6-31g(d).log.xz 051228898.td-b3lyp_6-31g+(d).inp 051228898.td-b3lyp_6-31g+(d).log.xz

051228898.td-b3lyp_6-31+g(d).qchem.inp (generated)

051228898.td-b3lyp_6-31+g(d).gjf (generated)

051228898.td-b3lyp_6-31+g(d).firefly.inp (generated)

051228898.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051228898.mol 051228898.PUBCHEM 051228898.mol (via Jmol)
051228914.b3lyp_6-31g(d).inp

051228914.b3lyp_6-31g(d).qchem.inp (generated)

051228914.b3lyp_6-31g(d).gjf (generated)

051228914.b3lyp_6-31g(d).firefly.inp (generated)

051228914.b3lyp_6-31g(d).smash.inp (generated)

051228914.b3lyp_6-31g(d).nwchem.inp (generated) 051228914.b3lyp_6-31g(d).log.xz 051228914.mol 051228914.PUBCHEM 051228914.mol (via Jmol)
051229082.b3lyp_6-31g(d).inp

051229082.b3lyp_6-31g(d).qchem.inp (generated)

051229082.b3lyp_6-31g(d).gjf (generated)

051229082.b3lyp_6-31g(d).firefly.inp (generated)

051229082.b3lyp_6-31g(d).smash.inp (generated)

051229082.b3lyp_6-31g(d).nwchem.inp (generated) 051229082.b3lyp_6-31g(d).log.xz 051229082.mol 051229082.PUBCHEM 051229082.mol (via Jmol)
051229228.b3lyp_6-31g(d).inp

051229228.b3lyp_6-31g(d).qchem.inp (generated)

051229228.b3lyp_6-31g(d).gjf (generated)

051229228.b3lyp_6-31g(d).firefly.inp (generated)

051229228.b3lyp_6-31g(d).smash.inp (generated)

051229228.b3lyp_6-31g(d).nwchem.inp (generated) 051229228.b3lyp_6-31g(d).log.xz 051229228.td-b3lyp_6-31g+(d).inp 051229228.td-b3lyp_6-31g+(d).log.xz

051229228.td-b3lyp_6-31+g(d).qchem.inp (generated)

051229228.td-b3lyp_6-31+g(d).gjf (generated)

051229228.td-b3lyp_6-31+g(d).firefly.inp (generated)

051229228.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051229228.mol 051229228.PUBCHEM 051229228.mol (via Jmol)
051229290.b3lyp_6-31g(d).inp

051229290.b3lyp_6-31g(d).qchem.inp (generated)

051229290.b3lyp_6-31g(d).gjf (generated)

051229290.b3lyp_6-31g(d).firefly.inp (generated)

051229290.b3lyp_6-31g(d).smash.inp (generated)

051229290.b3lyp_6-31g(d).nwchem.inp (generated) 051229290.b3lyp_6-31g(d).log.xz 051229290.td-b3lyp_6-31g+(d).inp 051229290.td-b3lyp_6-31g+(d).log.xz

051229290.td-b3lyp_6-31+g(d).qchem.inp (generated)

051229290.td-b3lyp_6-31+g(d).gjf (generated)

051229290.td-b3lyp_6-31+g(d).firefly.inp (generated)

051229290.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051229290.mol 051229290.PUBCHEM 051229290.mol (via Jmol)
051229414.b3lyp_6-31g(d).inp

051229414.b3lyp_6-31g(d).qchem.inp (generated)

051229414.b3lyp_6-31g(d).gjf (generated)

051229414.b3lyp_6-31g(d).firefly.inp (generated)

051229414.b3lyp_6-31g(d).smash.inp (generated)

051229414.b3lyp_6-31g(d).nwchem.inp (generated) 051229414.b3lyp_6-31g(d).log.xz 051229414.mol 051229414.PUBCHEM 051229414.mol (via Jmol)
051229415.b3lyp_6-31g(d).inp

051229415.b3lyp_6-31g(d).qchem.inp (generated)

051229415.b3lyp_6-31g(d).gjf (generated)

051229415.b3lyp_6-31g(d).firefly.inp (generated)

051229415.b3lyp_6-31g(d).smash.inp (generated)

051229415.b3lyp_6-31g(d).nwchem.inp (generated) 051229415.b3lyp_6-31g(d).log.xz 051229415.td-b3lyp_6-31g+(d).inp 051229415.td-b3lyp_6-31g+(d).log.xz

051229415.td-b3lyp_6-31+g(d).qchem.inp (generated)

051229415.td-b3lyp_6-31+g(d).gjf (generated)

051229415.td-b3lyp_6-31+g(d).firefly.inp (generated)

051229415.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051229415.mol 051229415.PUBCHEM 051229415.mol (via Jmol)
051229416.b3lyp_6-31g(d).inp

051229416.b3lyp_6-31g(d).qchem.inp (generated)

051229416.b3lyp_6-31g(d).gjf (generated)

051229416.b3lyp_6-31g(d).firefly.inp (generated)

051229416.b3lyp_6-31g(d).smash.inp (generated)

051229416.b3lyp_6-31g(d).nwchem.inp (generated) 051229416.b3lyp_6-31g(d).log.xz 051229416.td-b3lyp_6-31g+(d).inp 051229416.td-b3lyp_6-31g+(d).log.xz

051229416.td-b3lyp_6-31+g(d).qchem.inp (generated)

051229416.td-b3lyp_6-31+g(d).gjf (generated)

051229416.td-b3lyp_6-31+g(d).firefly.inp (generated)

051229416.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051229416.mol 051229416.PUBCHEM 051229416.mol (via Jmol)
051229419.b3lyp_6-31g(d).inp

051229419.b3lyp_6-31g(d).qchem.inp (generated)

051229419.b3lyp_6-31g(d).gjf (generated)

051229419.b3lyp_6-31g(d).firefly.inp (generated)

051229419.b3lyp_6-31g(d).smash.inp (generated)

051229419.b3lyp_6-31g(d).nwchem.inp (generated) 051229419.b3lyp_6-31g(d).log.xz 051229419.td-b3lyp_6-31g+(d).inp 051229419.td-b3lyp_6-31g+(d).log.xz

051229419.td-b3lyp_6-31+g(d).qchem.inp (generated)

051229419.td-b3lyp_6-31+g(d).gjf (generated)

051229419.td-b3lyp_6-31+g(d).firefly.inp (generated)

051229419.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051229419.mol 051229419.PUBCHEM 051229419.mol (via Jmol)
051229490.b3lyp_6-31g(d).inp

051229490.b3lyp_6-31g(d).qchem.inp (generated)

051229490.b3lyp_6-31g(d).gjf (generated)

051229490.b3lyp_6-31g(d).firefly.inp (generated)

051229490.b3lyp_6-31g(d).smash.inp (generated)

051229490.b3lyp_6-31g(d).nwchem.inp (generated) 051229490.b3lyp_6-31g(d).log.xz 051229490.mol 051229490.PUBCHEM 051229490.mol (via Jmol)
051229589.b3lyp_6-31g(d).inp

051229589.b3lyp_6-31g(d).qchem.inp (generated)

051229589.b3lyp_6-31g(d).gjf (generated)

051229589.b3lyp_6-31g(d).firefly.inp (generated)

051229589.b3lyp_6-31g(d).smash.inp (generated)

051229589.b3lyp_6-31g(d).nwchem.inp (generated) 051229589.b3lyp_6-31g(d).log.xz 051229589.td-b3lyp_6-31g+(d).inp 051229589.td-b3lyp_6-31g+(d).log.xz

051229589.td-b3lyp_6-31+g(d).qchem.inp (generated)

051229589.td-b3lyp_6-31+g(d).gjf (generated)

051229589.td-b3lyp_6-31+g(d).firefly.inp (generated)

051229589.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051229589.mol 051229589.PUBCHEM 051229589.mol (via Jmol)
051231018.b3lyp_6-31g(d).inp

051231018.b3lyp_6-31g(d).qchem.inp (generated)

051231018.b3lyp_6-31g(d).gjf (generated)

051231018.b3lyp_6-31g(d).firefly.inp (generated)

051231018.b3lyp_6-31g(d).smash.inp (generated)

051231018.b3lyp_6-31g(d).nwchem.inp (generated) 051231018.b3lyp_6-31g(d).log.xz 051231018.td-b3lyp_6-31g+(d).inp 051231018.td-b3lyp_6-31g+(d).log.xz

051231018.td-b3lyp_6-31+g(d).qchem.inp (generated)

051231018.td-b3lyp_6-31+g(d).gjf (generated)

051231018.td-b3lyp_6-31+g(d).firefly.inp (generated)

051231018.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051231018.mol 051231018.PUBCHEM 051231018.mol (via Jmol)
051232464.b3lyp_6-31g(d).inp

051232464.b3lyp_6-31g(d).qchem.inp (generated)

051232464.b3lyp_6-31g(d).gjf (generated)

051232464.b3lyp_6-31g(d).firefly.inp (generated)

051232464.b3lyp_6-31g(d).smash.inp (generated)

051232464.b3lyp_6-31g(d).nwchem.inp (generated) 051232464.b3lyp_6-31g(d).log.xz 051232464.td-b3lyp_6-31g+(d).inp 051232464.td-b3lyp_6-31g+(d).log.xz

051232464.td-b3lyp_6-31+g(d).qchem.inp (generated)

051232464.td-b3lyp_6-31+g(d).gjf (generated)

051232464.td-b3lyp_6-31+g(d).firefly.inp (generated)

051232464.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051232464.mol 051232464.PUBCHEM 051232464.mol (via Jmol)
051233093.b3lyp_6-31g(d).inp

051233093.b3lyp_6-31g(d).qchem.inp (generated)

051233093.b3lyp_6-31g(d).gjf (generated)

051233093.b3lyp_6-31g(d).firefly.inp (generated)

051233093.b3lyp_6-31g(d).smash.inp (generated)

051233093.b3lyp_6-31g(d).nwchem.inp (generated) 051233093.b3lyp_6-31g(d).log.xz 051233093.td-b3lyp_6-31g+(d).inp 051233093.td-b3lyp_6-31g+(d).log.xz

051233093.td-b3lyp_6-31+g(d).qchem.inp (generated)

051233093.td-b3lyp_6-31+g(d).gjf (generated)

051233093.td-b3lyp_6-31+g(d).firefly.inp (generated)

051233093.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051233093.mol 051233093.PUBCHEM 051233093.mol (via Jmol)
051233607.b3lyp_6-31g(d).inp

051233607.b3lyp_6-31g(d).qchem.inp (generated)

051233607.b3lyp_6-31g(d).gjf (generated)

051233607.b3lyp_6-31g(d).firefly.inp (generated)

051233607.b3lyp_6-31g(d).smash.inp (generated)

051233607.b3lyp_6-31g(d).nwchem.inp (generated) 051233607.b3lyp_6-31g(d).log.xz 051233607.mol 051233607.PUBCHEM 051233607.mol (via Jmol)
051233749.b3lyp_6-31g(d).inp

051233749.b3lyp_6-31g(d).qchem.inp (generated)

051233749.b3lyp_6-31g(d).gjf (generated)

051233749.b3lyp_6-31g(d).firefly.inp (generated)

051233749.b3lyp_6-31g(d).smash.inp (generated)

051233749.b3lyp_6-31g(d).nwchem.inp (generated) 051233749.b3lyp_6-31g(d).log.xz 051233749.mol 051233749.PUBCHEM 051233749.mol (via Jmol)
051233794.b3lyp_6-31g(d).inp

051233794.b3lyp_6-31g(d).qchem.inp (generated)

051233794.b3lyp_6-31g(d).gjf (generated)

051233794.b3lyp_6-31g(d).firefly.inp (generated)

051233794.b3lyp_6-31g(d).smash.inp (generated)

051233794.b3lyp_6-31g(d).nwchem.inp (generated) 051233794.b3lyp_6-31g(d).log.xz 051233794.td-b3lyp_6-31g+(d).inp 051233794.td-b3lyp_6-31g+(d).log.xz

051233794.td-b3lyp_6-31+g(d).qchem.inp (generated)

051233794.td-b3lyp_6-31+g(d).gjf (generated)

051233794.td-b3lyp_6-31+g(d).firefly.inp (generated)

051233794.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051233794.mol 051233794.PUBCHEM 051233794.mol (via Jmol)
051233896.b3lyp_6-31g(d).inp

051233896.b3lyp_6-31g(d).qchem.inp (generated)

051233896.b3lyp_6-31g(d).gjf (generated)

051233896.b3lyp_6-31g(d).firefly.inp (generated)

051233896.b3lyp_6-31g(d).smash.inp (generated)

051233896.b3lyp_6-31g(d).nwchem.inp (generated) 051233896.b3lyp_6-31g(d).log.xz 051233896.td-b3lyp_6-31g+(d).inp 051233896.td-b3lyp_6-31g+(d).log.xz

051233896.td-b3lyp_6-31+g(d).qchem.inp (generated)

051233896.td-b3lyp_6-31+g(d).gjf (generated)

051233896.td-b3lyp_6-31+g(d).firefly.inp (generated)

051233896.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051233896.mol 051233896.PUBCHEM 051233896.mol (via Jmol)
051236824.b3lyp_6-31g(d).inp

051236824.b3lyp_6-31g(d).qchem.inp (generated)

051236824.b3lyp_6-31g(d).gjf (generated)

051236824.b3lyp_6-31g(d).firefly.inp (generated)

051236824.b3lyp_6-31g(d).smash.inp (generated)

051236824.b3lyp_6-31g(d).nwchem.inp (generated) 051236824.b3lyp_6-31g(d).log.xz 051236824.td-b3lyp_6-31g+(d).inp 051236824.td-b3lyp_6-31g+(d).log.xz

051236824.td-b3lyp_6-31+g(d).qchem.inp (generated)

051236824.td-b3lyp_6-31+g(d).gjf (generated)

051236824.td-b3lyp_6-31+g(d).firefly.inp (generated)

051236824.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051236824.mol 051236824.PUBCHEM 051236824.mol (via Jmol)
051237942.b3lyp_6-31g(d).inp

051237942.b3lyp_6-31g(d).qchem.inp (generated)

051237942.b3lyp_6-31g(d).gjf (generated)

051237942.b3lyp_6-31g(d).firefly.inp (generated)

051237942.b3lyp_6-31g(d).smash.inp (generated)

051237942.b3lyp_6-31g(d).nwchem.inp (generated) 051237942.b3lyp_6-31g(d).log.xz 051237942.mol 051237942.PUBCHEM 051237942.mol (via Jmol)
051237986.b3lyp_6-31g(d).inp

051237986.b3lyp_6-31g(d).qchem.inp (generated)

051237986.b3lyp_6-31g(d).gjf (generated)

051237986.b3lyp_6-31g(d).firefly.inp (generated)

051237986.b3lyp_6-31g(d).smash.inp (generated)

051237986.b3lyp_6-31g(d).nwchem.inp (generated) 051237986.b3lyp_6-31g(d).log.xz 051237986.mol 051237986.PUBCHEM 051237986.mol (via Jmol)
051238472.b3lyp_6-31g(d).inp

051238472.b3lyp_6-31g(d).qchem.inp (generated)

051238472.b3lyp_6-31g(d).gjf (generated)

051238472.b3lyp_6-31g(d).firefly.inp (generated)

051238472.b3lyp_6-31g(d).smash.inp (generated)

051238472.b3lyp_6-31g(d).nwchem.inp (generated) 051238472.b3lyp_6-31g(d).log.xz 051238472.mol 051238472.PUBCHEM 051238472.mol (via Jmol)
051239233.b3lyp_6-31g(d).inp

051239233.b3lyp_6-31g(d).qchem.inp (generated)

051239233.b3lyp_6-31g(d).gjf (generated)

051239233.b3lyp_6-31g(d).firefly.inp (generated)

051239233.b3lyp_6-31g(d).smash.inp (generated)

051239233.b3lyp_6-31g(d).nwchem.inp (generated) 051239233.b3lyp_6-31g(d).log.xz 051239233.td-b3lyp_6-31g+(d).inp 051239233.td-b3lyp_6-31g+(d).log.xz

051239233.td-b3lyp_6-31+g(d).qchem.inp (generated)

051239233.td-b3lyp_6-31+g(d).gjf (generated)

051239233.td-b3lyp_6-31+g(d).firefly.inp (generated)

051239233.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051239233.mol 051239233.PUBCHEM 051239233.mol (via Jmol)
051239751.b3lyp_6-31g(d).inp

051239751.b3lyp_6-31g(d).qchem.inp (generated)

051239751.b3lyp_6-31g(d).gjf (generated)

051239751.b3lyp_6-31g(d).firefly.inp (generated)

051239751.b3lyp_6-31g(d).smash.inp (generated)

051239751.b3lyp_6-31g(d).nwchem.inp (generated) 051239751.b3lyp_6-31g(d).log.xz 051239751.mol 051239751.PUBCHEM 051239751.mol (via Jmol)
051239755.b3lyp_6-31g(d).inp

051239755.b3lyp_6-31g(d).qchem.inp (generated)

051239755.b3lyp_6-31g(d).gjf (generated)

051239755.b3lyp_6-31g(d).firefly.inp (generated)

051239755.b3lyp_6-31g(d).smash.inp (generated)

051239755.b3lyp_6-31g(d).nwchem.inp (generated) 051239755.b3lyp_6-31g(d).log.xz 051239755.mol 051239755.PUBCHEM 051239755.mol (via Jmol)
051240068.b3lyp_6-31g(d).inp

051240068.b3lyp_6-31g(d).qchem.inp (generated)

051240068.b3lyp_6-31g(d).gjf (generated)

051240068.b3lyp_6-31g(d).firefly.inp (generated)

051240068.b3lyp_6-31g(d).smash.inp (generated)

051240068.b3lyp_6-31g(d).nwchem.inp (generated) 051240068.b3lyp_6-31g(d).log.xz 051240068.mol 051240068.PUBCHEM 051240068.mol (via Jmol)
051240448.b3lyp_6-31g(d).inp

051240448.b3lyp_6-31g(d).qchem.inp (generated)

051240448.b3lyp_6-31g(d).gjf (generated)

051240448.b3lyp_6-31g(d).firefly.inp (generated)

051240448.b3lyp_6-31g(d).smash.inp (generated)

051240448.b3lyp_6-31g(d).nwchem.inp (generated) 051240448.b3lyp_6-31g(d).log.xz 051240448.td-b3lyp_6-31g+(d).inp 051240448.td-b3lyp_6-31g+(d).log.xz

051240448.td-b3lyp_6-31+g(d).qchem.inp (generated)

051240448.td-b3lyp_6-31+g(d).gjf (generated)

051240448.td-b3lyp_6-31+g(d).firefly.inp (generated)

051240448.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051240448.mol 051240448.PUBCHEM 051240448.mol (via Jmol)
051240450.b3lyp_6-31g(d).inp

051240450.b3lyp_6-31g(d).qchem.inp (generated)

051240450.b3lyp_6-31g(d).gjf (generated)

051240450.b3lyp_6-31g(d).firefly.inp (generated)

051240450.b3lyp_6-31g(d).smash.inp (generated)

051240450.b3lyp_6-31g(d).nwchem.inp (generated) 051240450.b3lyp_6-31g(d).log.xz 051240450.td-b3lyp_6-31g+(d).inp 051240450.td-b3lyp_6-31g+(d).log.xz

051240450.td-b3lyp_6-31+g(d).qchem.inp (generated)

051240450.td-b3lyp_6-31+g(d).gjf (generated)

051240450.td-b3lyp_6-31+g(d).firefly.inp (generated)

051240450.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051240450.mol 051240450.PUBCHEM 051240450.mol (via Jmol)
051240594.b3lyp_6-31g(d).inp

051240594.b3lyp_6-31g(d).qchem.inp (generated)

051240594.b3lyp_6-31g(d).gjf (generated)

051240594.b3lyp_6-31g(d).firefly.inp (generated)

051240594.b3lyp_6-31g(d).smash.inp (generated)

051240594.b3lyp_6-31g(d).nwchem.inp (generated) 051240594.b3lyp_6-31g(d).log.xz 051240594.td-b3lyp_6-31g+(d).inp 051240594.td-b3lyp_6-31g+(d).log.xz

051240594.td-b3lyp_6-31+g(d).qchem.inp (generated)

051240594.td-b3lyp_6-31+g(d).gjf (generated)

051240594.td-b3lyp_6-31+g(d).firefly.inp (generated)

051240594.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051240594.mol 051240594.PUBCHEM 051240594.mol (via Jmol)
051240601.b3lyp_6-31g(d).inp

051240601.b3lyp_6-31g(d).qchem.inp (generated)

051240601.b3lyp_6-31g(d).gjf (generated)

051240601.b3lyp_6-31g(d).firefly.inp (generated)

051240601.b3lyp_6-31g(d).smash.inp (generated)

051240601.b3lyp_6-31g(d).nwchem.inp (generated) 051240601.b3lyp_6-31g(d).log.xz 051240601.td-b3lyp_6-31g+(d).inp 051240601.td-b3lyp_6-31g+(d).log.xz

051240601.td-b3lyp_6-31+g(d).qchem.inp (generated)

051240601.td-b3lyp_6-31+g(d).gjf (generated)

051240601.td-b3lyp_6-31+g(d).firefly.inp (generated)

051240601.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051240601.mol 051240601.PUBCHEM 051240601.mol (via Jmol)
051240607.b3lyp_6-31g(d).inp

051240607.b3lyp_6-31g(d).qchem.inp (generated)

051240607.b3lyp_6-31g(d).gjf (generated)

051240607.b3lyp_6-31g(d).firefly.inp (generated)

051240607.b3lyp_6-31g(d).smash.inp (generated)

051240607.b3lyp_6-31g(d).nwchem.inp (generated) 051240607.b3lyp_6-31g(d).log.xz 051240607.td-b3lyp_6-31g+(d).inp 051240607.td-b3lyp_6-31g+(d).log.xz

051240607.td-b3lyp_6-31+g(d).qchem.inp (generated)

051240607.td-b3lyp_6-31+g(d).gjf (generated)

051240607.td-b3lyp_6-31+g(d).firefly.inp (generated)

051240607.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051240607.mol 051240607.PUBCHEM 051240607.mol (via Jmol)
051240816.b3lyp_6-31g(d).inp

051240816.b3lyp_6-31g(d).qchem.inp (generated)

051240816.b3lyp_6-31g(d).gjf (generated)

051240816.b3lyp_6-31g(d).firefly.inp (generated)

051240816.b3lyp_6-31g(d).smash.inp (generated)

051240816.b3lyp_6-31g(d).nwchem.inp (generated) 051240816.b3lyp_6-31g(d).log.xz 051240816.td-b3lyp_6-31g+(d).inp 051240816.td-b3lyp_6-31g+(d).log.xz

051240816.td-b3lyp_6-31+g(d).qchem.inp (generated)

051240816.td-b3lyp_6-31+g(d).gjf (generated)

051240816.td-b3lyp_6-31+g(d).firefly.inp (generated)

051240816.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051240816.mol 051240816.PUBCHEM 051240816.mol (via Jmol)
051240913.b3lyp_6-31g(d).inp

051240913.b3lyp_6-31g(d).qchem.inp (generated)

051240913.b3lyp_6-31g(d).gjf (generated)

051240913.b3lyp_6-31g(d).firefly.inp (generated)

051240913.b3lyp_6-31g(d).smash.inp (generated)

051240913.b3lyp_6-31g(d).nwchem.inp (generated) 051240913.b3lyp_6-31g(d).log.xz 051240913.mol 051240913.PUBCHEM 051240913.mol (via Jmol)
051240959.b3lyp_6-31g(d).inp

051240959.b3lyp_6-31g(d).qchem.inp (generated)

051240959.b3lyp_6-31g(d).gjf (generated)

051240959.b3lyp_6-31g(d).firefly.inp (generated)

051240959.b3lyp_6-31g(d).smash.inp (generated)

051240959.b3lyp_6-31g(d).nwchem.inp (generated) 051240959.b3lyp_6-31g(d).log.xz 051240959.td-b3lyp_6-31g+(d).inp 051240959.td-b3lyp_6-31g+(d).log.xz

051240959.td-b3lyp_6-31+g(d).qchem.inp (generated)

051240959.td-b3lyp_6-31+g(d).gjf (generated)

051240959.td-b3lyp_6-31+g(d).firefly.inp (generated)

051240959.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051240959.mol 051240959.PUBCHEM 051240959.mol (via Jmol)
051240980.b3lyp_6-31g(d).inp

051240980.b3lyp_6-31g(d).qchem.inp (generated)

051240980.b3lyp_6-31g(d).gjf (generated)

051240980.b3lyp_6-31g(d).firefly.inp (generated)

051240980.b3lyp_6-31g(d).smash.inp (generated)

051240980.b3lyp_6-31g(d).nwchem.inp (generated) 051240980.b3lyp_6-31g(d).log.xz 051240980.td-b3lyp_6-31g+(d).inp 051240980.td-b3lyp_6-31g+(d).log.xz

051240980.td-b3lyp_6-31+g(d).qchem.inp (generated)

051240980.td-b3lyp_6-31+g(d).gjf (generated)

051240980.td-b3lyp_6-31+g(d).firefly.inp (generated)

051240980.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051240980.mol 051240980.PUBCHEM 051240980.mol (via Jmol)
051241203.b3lyp_6-31g(d).inp

051241203.b3lyp_6-31g(d).qchem.inp (generated)

051241203.b3lyp_6-31g(d).gjf (generated)

051241203.b3lyp_6-31g(d).firefly.inp (generated)

051241203.b3lyp_6-31g(d).smash.inp (generated)

051241203.b3lyp_6-31g(d).nwchem.inp (generated) 051241203.b3lyp_6-31g(d).log.xz 051241203.td-b3lyp_6-31g+(d).inp 051241203.td-b3lyp_6-31g+(d).log.xz

051241203.td-b3lyp_6-31+g(d).qchem.inp (generated)

051241203.td-b3lyp_6-31+g(d).gjf (generated)

051241203.td-b3lyp_6-31+g(d).firefly.inp (generated)

051241203.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051241203.mol 051241203.PUBCHEM 051241203.mol (via Jmol)
051241402.b3lyp_6-31g(d).inp

051241402.b3lyp_6-31g(d).qchem.inp (generated)

051241402.b3lyp_6-31g(d).gjf (generated)

051241402.b3lyp_6-31g(d).firefly.inp (generated)

051241402.b3lyp_6-31g(d).smash.inp (generated)

051241402.b3lyp_6-31g(d).nwchem.inp (generated) 051241402.b3lyp_6-31g(d).log.xz 051241402.td-b3lyp_6-31g+(d).inp 051241402.td-b3lyp_6-31g+(d).log.xz

051241402.td-b3lyp_6-31+g(d).qchem.inp (generated)

051241402.td-b3lyp_6-31+g(d).gjf (generated)

051241402.td-b3lyp_6-31+g(d).firefly.inp (generated)

051241402.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051241402.mol 051241402.PUBCHEM 051241402.mol (via Jmol)
051242068.b3lyp_6-31g(d).inp

051242068.b3lyp_6-31g(d).qchem.inp (generated)

051242068.b3lyp_6-31g(d).gjf (generated)

051242068.b3lyp_6-31g(d).firefly.inp (generated)

051242068.b3lyp_6-31g(d).smash.inp (generated)

051242068.b3lyp_6-31g(d).nwchem.inp (generated) 051242068.b3lyp_6-31g(d).log.xz 051242068.td-b3lyp_6-31g+(d).inp 051242068.td-b3lyp_6-31g+(d).log.xz

051242068.td-b3lyp_6-31+g(d).qchem.inp (generated)

051242068.td-b3lyp_6-31+g(d).gjf (generated)

051242068.td-b3lyp_6-31+g(d).firefly.inp (generated)

051242068.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051242068.mol 051242068.PUBCHEM 051242068.mol (via Jmol)
051242961.b3lyp_6-31g(d).inp

051242961.b3lyp_6-31g(d).qchem.inp (generated)

051242961.b3lyp_6-31g(d).gjf (generated)

051242961.b3lyp_6-31g(d).firefly.inp (generated)

051242961.b3lyp_6-31g(d).smash.inp (generated)

051242961.b3lyp_6-31g(d).nwchem.inp (generated) 051242961.b3lyp_6-31g(d).log.xz 051242961.td-b3lyp_6-31g+(d).inp 051242961.td-b3lyp_6-31g+(d).log.xz

051242961.td-b3lyp_6-31+g(d).qchem.inp (generated)

051242961.td-b3lyp_6-31+g(d).gjf (generated)

051242961.td-b3lyp_6-31+g(d).firefly.inp (generated)

051242961.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051242961.mol 051242961.PUBCHEM 051242961.mol (via Jmol)
051243078.b3lyp_6-31g(d).inp

051243078.b3lyp_6-31g(d).qchem.inp (generated)

051243078.b3lyp_6-31g(d).gjf (generated)

051243078.b3lyp_6-31g(d).firefly.inp (generated)

051243078.b3lyp_6-31g(d).smash.inp (generated)

051243078.b3lyp_6-31g(d).nwchem.inp (generated) 051243078.b3lyp_6-31g(d).log.xz 051243078.td-b3lyp_6-31g+(d).inp 051243078.td-b3lyp_6-31g+(d).log.xz

051243078.td-b3lyp_6-31+g(d).qchem.inp (generated)

051243078.td-b3lyp_6-31+g(d).gjf (generated)

051243078.td-b3lyp_6-31+g(d).firefly.inp (generated)

051243078.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051243078.mol 051243078.PUBCHEM 051243078.mol (via Jmol)
051243381.b3lyp_6-31g(d).inp

051243381.b3lyp_6-31g(d).qchem.inp (generated)

051243381.b3lyp_6-31g(d).gjf (generated)

051243381.b3lyp_6-31g(d).firefly.inp (generated)

051243381.b3lyp_6-31g(d).smash.inp (generated)

051243381.b3lyp_6-31g(d).nwchem.inp (generated) 051243381.b3lyp_6-31g(d).log.xz 051243381.td-b3lyp_6-31g+(d).inp 051243381.td-b3lyp_6-31g+(d).log.xz

051243381.td-b3lyp_6-31+g(d).qchem.inp (generated)

051243381.td-b3lyp_6-31+g(d).gjf (generated)

051243381.td-b3lyp_6-31+g(d).firefly.inp (generated)

051243381.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051243381.mol 051243381.PUBCHEM 051243381.mol (via Jmol)
051243451.b3lyp_6-31g(d).inp

051243451.b3lyp_6-31g(d).qchem.inp (generated)

051243451.b3lyp_6-31g(d).gjf (generated)

051243451.b3lyp_6-31g(d).firefly.inp (generated)

051243451.b3lyp_6-31g(d).smash.inp (generated)

051243451.b3lyp_6-31g(d).nwchem.inp (generated) 051243451.b3lyp_6-31g(d).log.xz 051243451.td-b3lyp_6-31g+(d).inp 051243451.td-b3lyp_6-31g+(d).log.xz

051243451.td-b3lyp_6-31+g(d).qchem.inp (generated)

051243451.td-b3lyp_6-31+g(d).gjf (generated)

051243451.td-b3lyp_6-31+g(d).firefly.inp (generated)

051243451.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051243451.mol 051243451.PUBCHEM 051243451.mol (via Jmol)
051244970.b3lyp_6-31g(d).inp

051244970.b3lyp_6-31g(d).qchem.inp (generated)

051244970.b3lyp_6-31g(d).gjf (generated)

051244970.b3lyp_6-31g(d).firefly.inp (generated)

051244970.b3lyp_6-31g(d).smash.inp (generated)

051244970.b3lyp_6-31g(d).nwchem.inp (generated) 051244970.b3lyp_6-31g(d).log.xz 051244970.td-b3lyp_6-31g+(d).inp 051244970.td-b3lyp_6-31g+(d).log.xz

051244970.td-b3lyp_6-31+g(d).qchem.inp (generated)

051244970.td-b3lyp_6-31+g(d).gjf (generated)

051244970.td-b3lyp_6-31+g(d).firefly.inp (generated)

051244970.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051244970.mol 051244970.PUBCHEM 051244970.mol (via Jmol)
051245178.b3lyp_6-31g(d).inp

051245178.b3lyp_6-31g(d).qchem.inp (generated)

051245178.b3lyp_6-31g(d).gjf (generated)

051245178.b3lyp_6-31g(d).firefly.inp (generated)

051245178.b3lyp_6-31g(d).smash.inp (generated)

051245178.b3lyp_6-31g(d).nwchem.inp (generated) 051245178.b3lyp_6-31g(d).log.xz 051245178.mol 051245178.PUBCHEM 051245178.mol (via Jmol)
051245705.b3lyp_6-31g(d).inp

051245705.b3lyp_6-31g(d).qchem.inp (generated)

051245705.b3lyp_6-31g(d).gjf (generated)

051245705.b3lyp_6-31g(d).firefly.inp (generated)

051245705.b3lyp_6-31g(d).smash.inp (generated)

051245705.b3lyp_6-31g(d).nwchem.inp (generated) 051245705.b3lyp_6-31g(d).log.xz 051245705.td-b3lyp_6-31g+(d).inp 051245705.td-b3lyp_6-31g+(d).log.xz

051245705.td-b3lyp_6-31+g(d).qchem.inp (generated)

051245705.td-b3lyp_6-31+g(d).gjf (generated)

051245705.td-b3lyp_6-31+g(d).firefly.inp (generated)

051245705.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051245705.mol 051245705.PUBCHEM 051245705.mol (via Jmol)
051246191.b3lyp_6-31g(d).inp

051246191.b3lyp_6-31g(d).qchem.inp (generated)

051246191.b3lyp_6-31g(d).gjf (generated)

051246191.b3lyp_6-31g(d).firefly.inp (generated)

051246191.b3lyp_6-31g(d).smash.inp (generated)

051246191.b3lyp_6-31g(d).nwchem.inp (generated) 051246191.b3lyp_6-31g(d).log.xz 051246191.td-b3lyp_6-31g+(d).inp 051246191.td-b3lyp_6-31g+(d).log.xz

051246191.td-b3lyp_6-31+g(d).qchem.inp (generated)

051246191.td-b3lyp_6-31+g(d).gjf (generated)

051246191.td-b3lyp_6-31+g(d).firefly.inp (generated)

051246191.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051246191.mol 051246191.PUBCHEM 051246191.mol (via Jmol)
051247584.b3lyp_6-31g(d).inp

051247584.b3lyp_6-31g(d).qchem.inp (generated)

051247584.b3lyp_6-31g(d).gjf (generated)

051247584.b3lyp_6-31g(d).firefly.inp (generated)

051247584.b3lyp_6-31g(d).smash.inp (generated)

051247584.b3lyp_6-31g(d).nwchem.inp (generated) 051247584.b3lyp_6-31g(d).log.xz 051247584.mol 051247584.PUBCHEM 051247584.mol (via Jmol)
051247590.b3lyp_6-31g(d).inp

051247590.b3lyp_6-31g(d).qchem.inp (generated)

051247590.b3lyp_6-31g(d).gjf (generated)

051247590.b3lyp_6-31g(d).firefly.inp (generated)

051247590.b3lyp_6-31g(d).smash.inp (generated)

051247590.b3lyp_6-31g(d).nwchem.inp (generated) 051247590.b3lyp_6-31g(d).log.xz 051247590.mol 051247590.PUBCHEM 051247590.mol (via Jmol)
051248958.b3lyp_6-31g(d).inp

051248958.b3lyp_6-31g(d).qchem.inp (generated)

051248958.b3lyp_6-31g(d).gjf (generated)

051248958.b3lyp_6-31g(d).firefly.inp (generated)

051248958.b3lyp_6-31g(d).smash.inp (generated)

051248958.b3lyp_6-31g(d).nwchem.inp (generated) 051248958.b3lyp_6-31g(d).log.xz 051248958.td-b3lyp_6-31g+(d).inp 051248958.td-b3lyp_6-31g+(d).log.xz

051248958.td-b3lyp_6-31+g(d).qchem.inp (generated)

051248958.td-b3lyp_6-31+g(d).gjf (generated)

051248958.td-b3lyp_6-31+g(d).firefly.inp (generated)

051248958.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051248958.mol 051248958.PUBCHEM 051248958.mol (via Jmol)
051249004.b3lyp_6-31g(d).inp

051249004.b3lyp_6-31g(d).qchem.inp (generated)

051249004.b3lyp_6-31g(d).gjf (generated)

051249004.b3lyp_6-31g(d).firefly.inp (generated)

051249004.b3lyp_6-31g(d).smash.inp (generated)

051249004.b3lyp_6-31g(d).nwchem.inp (generated) 051249004.b3lyp_6-31g(d).log.xz 051249004.td-b3lyp_6-31g+(d).inp 051249004.td-b3lyp_6-31g+(d).log.xz

051249004.td-b3lyp_6-31+g(d).qchem.inp (generated)

051249004.td-b3lyp_6-31+g(d).gjf (generated)

051249004.td-b3lyp_6-31+g(d).firefly.inp (generated)

051249004.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051249004.mol 051249004.PUBCHEM 051249004.mol (via Jmol)
051249860.b3lyp_6-31g(d).inp

051249860.b3lyp_6-31g(d).qchem.inp (generated)

051249860.b3lyp_6-31g(d).gjf (generated)

051249860.b3lyp_6-31g(d).firefly.inp (generated)

051249860.b3lyp_6-31g(d).smash.inp (generated)

051249860.b3lyp_6-31g(d).nwchem.inp (generated) 051249860.b3lyp_6-31g(d).log.xz 051249860.td-b3lyp_6-31g+(d).inp 051249860.td-b3lyp_6-31g+(d).log.xz

051249860.td-b3lyp_6-31+g(d).qchem.inp (generated)

051249860.td-b3lyp_6-31+g(d).gjf (generated)

051249860.td-b3lyp_6-31+g(d).firefly.inp (generated)

051249860.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051249860.mol 051249860.PUBCHEM 051249860.mol (via Jmol)


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