Index of

Last updated : Thu Aug 17 01:52:36 JST 2017
Total : 4239 (4175) in this page
000400054.b3lyp_6-31g(d).inp

000400054.b3lyp_6-31g(d).qchem.inp (generated)

000400054.b3lyp_6-31g(d).gjf (generated)

000400054.b3lyp_6-31g(d).firefly.inp (generated)

000400054.b3lyp_6-31g(d).smash.inp (generated)

000400054.b3lyp_6-31g(d).nwchem.inp (generated) 000400054.b3lyp_6-31g(d).log.xz 000400054.td-b3lyp_6-31g+(d).inp 000400054.td-b3lyp_6-31g+(d).log.xz

000400054.td-b3lyp_6-31+g(d).qchem.inp (generated)

000400054.td-b3lyp_6-31+g(d).gjf (generated)

000400054.td-b3lyp_6-31+g(d).firefly.inp (generated)

000400054.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000400054.mol 000400054.PUBCHEM 000400054.mol (via Jmol)
000400055.b3lyp_6-31g(d).inp

000400055.b3lyp_6-31g(d).qchem.inp (generated)

000400055.b3lyp_6-31g(d).gjf (generated)

000400055.b3lyp_6-31g(d).firefly.inp (generated)

000400055.b3lyp_6-31g(d).smash.inp (generated)

000400055.b3lyp_6-31g(d).nwchem.inp (generated) 000400055.b3lyp_6-31g(d).log.xz 000400055.td-b3lyp_6-31g+(d).inp 000400055.td-b3lyp_6-31g+(d).log.xz

000400055.td-b3lyp_6-31+g(d).qchem.inp (generated)

000400055.td-b3lyp_6-31+g(d).gjf (generated)

000400055.td-b3lyp_6-31+g(d).firefly.inp (generated)

000400055.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000400055.mol 000400055.PUBCHEM 000400055.mol (via Jmol)
000400058.b3lyp_6-31g(d).inp

000400058.b3lyp_6-31g(d).qchem.inp (generated)

000400058.b3lyp_6-31g(d).gjf (generated)

000400058.b3lyp_6-31g(d).firefly.inp (generated)

000400058.b3lyp_6-31g(d).smash.inp (generated)

000400058.b3lyp_6-31g(d).nwchem.inp (generated) 000400058.b3lyp_6-31g(d).log.xz 000400058.td-b3lyp_6-31g+(d).inp 000400058.td-b3lyp_6-31g+(d).log.xz

000400058.td-b3lyp_6-31+g(d).qchem.inp (generated)

000400058.td-b3lyp_6-31+g(d).gjf (generated)

000400058.td-b3lyp_6-31+g(d).firefly.inp (generated)

000400058.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000400058.mol 000400058.PUBCHEM 000400058.mol (via Jmol)
000400059.b3lyp_6-31g(d).inp

000400059.b3lyp_6-31g(d).qchem.inp (generated)

000400059.b3lyp_6-31g(d).gjf (generated)

000400059.b3lyp_6-31g(d).firefly.inp (generated)

000400059.b3lyp_6-31g(d).smash.inp (generated)

000400059.b3lyp_6-31g(d).nwchem.inp (generated) 000400059.b3lyp_6-31g(d).log.xz 000400059.td-b3lyp_6-31g+(d).inp 000400059.td-b3lyp_6-31g+(d).log.xz

000400059.td-b3lyp_6-31+g(d).qchem.inp (generated)

000400059.td-b3lyp_6-31+g(d).gjf (generated)

000400059.td-b3lyp_6-31+g(d).firefly.inp (generated)

000400059.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000400059.mol 000400059.PUBCHEM 000400059.mol (via Jmol)
000400072.b3lyp_6-31g(d).inp

000400072.b3lyp_6-31g(d).qchem.inp (generated)

000400072.b3lyp_6-31g(d).gjf (generated)

000400072.b3lyp_6-31g(d).firefly.inp (generated)

000400072.b3lyp_6-31g(d).smash.inp (generated)

000400072.b3lyp_6-31g(d).nwchem.inp (generated) 000400072.b3lyp_6-31g(d).log.xz 000400072.td-b3lyp_6-31g+(d).inp 000400072.td-b3lyp_6-31g+(d).log.xz

000400072.td-b3lyp_6-31+g(d).qchem.inp (generated)

000400072.td-b3lyp_6-31+g(d).gjf (generated)

000400072.td-b3lyp_6-31+g(d).firefly.inp (generated)

000400072.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000400072.mol 000400072.PUBCHEM 000400072.mol (via Jmol)
000400077.b3lyp_6-31g(d).inp

000400077.b3lyp_6-31g(d).qchem.inp (generated)

000400077.b3lyp_6-31g(d).gjf (generated)

000400077.b3lyp_6-31g(d).firefly.inp (generated)

000400077.b3lyp_6-31g(d).smash.inp (generated)

000400077.b3lyp_6-31g(d).nwchem.inp (generated) 000400077.b3lyp_6-31g(d).log.xz 000400077.td-b3lyp_6-31g+(d).inp 000400077.td-b3lyp_6-31g+(d).log.xz

000400077.td-b3lyp_6-31+g(d).qchem.inp (generated)

000400077.td-b3lyp_6-31+g(d).gjf (generated)

000400077.td-b3lyp_6-31+g(d).firefly.inp (generated)

000400077.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000400077.mol 000400077.PUBCHEM 000400077.mol (via Jmol)
000400086.b3lyp_6-31g(d).inp

000400086.b3lyp_6-31g(d).qchem.inp (generated)

000400086.b3lyp_6-31g(d).gjf (generated)

000400086.b3lyp_6-31g(d).firefly.inp (generated)

000400086.b3lyp_6-31g(d).smash.inp (generated)

000400086.b3lyp_6-31g(d).nwchem.inp (generated) 000400086.b3lyp_6-31g(d).log.xz 000400086.td-b3lyp_6-31g+(d).inp 000400086.td-b3lyp_6-31g+(d).log.xz

000400086.td-b3lyp_6-31+g(d).qchem.inp (generated)

000400086.td-b3lyp_6-31+g(d).gjf (generated)

000400086.td-b3lyp_6-31+g(d).firefly.inp (generated)

000400086.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000400086.mol 000400086.PUBCHEM 000400086.mol (via Jmol)
000400088.b3lyp_6-31g(d).inp

000400088.b3lyp_6-31g(d).qchem.inp (generated)

000400088.b3lyp_6-31g(d).gjf (generated)

000400088.b3lyp_6-31g(d).firefly.inp (generated)

000400088.b3lyp_6-31g(d).smash.inp (generated)

000400088.b3lyp_6-31g(d).nwchem.inp (generated) 000400088.b3lyp_6-31g(d).log.xz 000400088.td-b3lyp_6-31g+(d).inp 000400088.td-b3lyp_6-31g+(d).log.xz

000400088.td-b3lyp_6-31+g(d).qchem.inp (generated)

000400088.td-b3lyp_6-31+g(d).gjf (generated)

000400088.td-b3lyp_6-31+g(d).firefly.inp (generated)

000400088.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000400088.mol 000400088.PUBCHEM 000400088.mol (via Jmol)
000400092.b3lyp_6-31g(d).inp

000400092.b3lyp_6-31g(d).qchem.inp (generated)

000400092.b3lyp_6-31g(d).gjf (generated)

000400092.b3lyp_6-31g(d).firefly.inp (generated)

000400092.b3lyp_6-31g(d).smash.inp (generated)

000400092.b3lyp_6-31g(d).nwchem.inp (generated) 000400092.b3lyp_6-31g(d).log.xz 000400092.td-b3lyp_6-31g+(d).inp 000400092.td-b3lyp_6-31g+(d).log.xz

000400092.td-b3lyp_6-31+g(d).qchem.inp (generated)

000400092.td-b3lyp_6-31+g(d).gjf (generated)

000400092.td-b3lyp_6-31+g(d).firefly.inp (generated)

000400092.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000400092.mol 000400092.PUBCHEM 000400092.mol (via Jmol)
000400094.b3lyp_6-31g(d).inp

000400094.b3lyp_6-31g(d).qchem.inp (generated)

000400094.b3lyp_6-31g(d).gjf (generated)

000400094.b3lyp_6-31g(d).firefly.inp (generated)

000400094.b3lyp_6-31g(d).smash.inp (generated)

000400094.b3lyp_6-31g(d).nwchem.inp (generated) 000400094.b3lyp_6-31g(d).log.xz 000400094.td-b3lyp_6-31g+(d).inp 000400094.td-b3lyp_6-31g+(d).log.xz

000400094.td-b3lyp_6-31+g(d).qchem.inp (generated)

000400094.td-b3lyp_6-31+g(d).gjf (generated)

000400094.td-b3lyp_6-31+g(d).firefly.inp (generated)

000400094.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000400094.mol 000400094.PUBCHEM 000400094.mol (via Jmol)
000400112.b3lyp_6-31g(d).inp

000400112.b3lyp_6-31g(d).qchem.inp (generated)

000400112.b3lyp_6-31g(d).gjf (generated)

000400112.b3lyp_6-31g(d).firefly.inp (generated)

000400112.b3lyp_6-31g(d).smash.inp (generated)

000400112.b3lyp_6-31g(d).nwchem.inp (generated) 000400112.b3lyp_6-31g(d).log.xz 000400112.td-b3lyp_6-31g+(d).inp 000400112.td-b3lyp_6-31g+(d).log.xz

000400112.td-b3lyp_6-31+g(d).qchem.inp (generated)

000400112.td-b3lyp_6-31+g(d).gjf (generated)

000400112.td-b3lyp_6-31+g(d).firefly.inp (generated)

000400112.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000400112.mol 000400112.PUBCHEM 000400112.mol (via Jmol)
000400113.b3lyp_6-31g(d).inp

000400113.b3lyp_6-31g(d).qchem.inp (generated)

000400113.b3lyp_6-31g(d).gjf (generated)

000400113.b3lyp_6-31g(d).firefly.inp (generated)

000400113.b3lyp_6-31g(d).smash.inp (generated)

000400113.b3lyp_6-31g(d).nwchem.inp (generated) 000400113.b3lyp_6-31g(d).log.xz 000400113.td-b3lyp_6-31g+(d).inp 000400113.td-b3lyp_6-31g+(d).log.xz

000400113.td-b3lyp_6-31+g(d).qchem.inp (generated)

000400113.td-b3lyp_6-31+g(d).gjf (generated)

000400113.td-b3lyp_6-31+g(d).firefly.inp (generated)

000400113.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000400113.mol 000400113.PUBCHEM 000400113.mol (via Jmol)
000400115.b3lyp_6-31g(d).inp

000400115.b3lyp_6-31g(d).qchem.inp (generated)

000400115.b3lyp_6-31g(d).gjf (generated)

000400115.b3lyp_6-31g(d).firefly.inp (generated)

000400115.b3lyp_6-31g(d).smash.inp (generated)

000400115.b3lyp_6-31g(d).nwchem.inp (generated) 000400115.b3lyp_6-31g(d).log.xz 000400115.td-b3lyp_6-31g+(d).inp 000400115.td-b3lyp_6-31g+(d).log.xz

000400115.td-b3lyp_6-31+g(d).qchem.inp (generated)

000400115.td-b3lyp_6-31+g(d).gjf (generated)

000400115.td-b3lyp_6-31+g(d).firefly.inp (generated)

000400115.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000400115.mol 000400115.PUBCHEM 000400115.mol (via Jmol)
000400116.b3lyp_6-31g(d).inp

000400116.b3lyp_6-31g(d).qchem.inp (generated)

000400116.b3lyp_6-31g(d).gjf (generated)

000400116.b3lyp_6-31g(d).firefly.inp (generated)

000400116.b3lyp_6-31g(d).smash.inp (generated)

000400116.b3lyp_6-31g(d).nwchem.inp (generated) 000400116.b3lyp_6-31g(d).log.xz 000400116.td-b3lyp_6-31g+(d).inp 000400116.td-b3lyp_6-31g+(d).log.xz

000400116.td-b3lyp_6-31+g(d).qchem.inp (generated)

000400116.td-b3lyp_6-31+g(d).gjf (generated)

000400116.td-b3lyp_6-31+g(d).firefly.inp (generated)

000400116.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000400116.mol 000400116.PUBCHEM 000400116.mol (via Jmol)
000400139.b3lyp_6-31g(d).inp

000400139.b3lyp_6-31g(d).qchem.inp (generated)

000400139.b3lyp_6-31g(d).gjf (generated)

000400139.b3lyp_6-31g(d).firefly.inp (generated)

000400139.b3lyp_6-31g(d).smash.inp (generated)

000400139.b3lyp_6-31g(d).nwchem.inp (generated) 000400139.b3lyp_6-31g(d).log.xz 000400139.td-b3lyp_6-31g+(d).inp 000400139.td-b3lyp_6-31g+(d).log.xz

000400139.td-b3lyp_6-31+g(d).qchem.inp (generated)

000400139.td-b3lyp_6-31+g(d).gjf (generated)

000400139.td-b3lyp_6-31+g(d).firefly.inp (generated)

000400139.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000400139.mol 000400139.PUBCHEM 000400139.mol (via Jmol)
000400248.b3lyp_6-31g(d).inp

000400248.b3lyp_6-31g(d).qchem.inp (generated)

000400248.b3lyp_6-31g(d).gjf (generated)

000400248.b3lyp_6-31g(d).firefly.inp (generated)

000400248.b3lyp_6-31g(d).smash.inp (generated)

000400248.b3lyp_6-31g(d).nwchem.inp (generated) 000400248.b3lyp_6-31g(d).log.xz 000400248.td-b3lyp_6-31g+(d).inp 000400248.td-b3lyp_6-31g+(d).log.xz

000400248.td-b3lyp_6-31+g(d).qchem.inp (generated)

000400248.td-b3lyp_6-31+g(d).gjf (generated)

000400248.td-b3lyp_6-31+g(d).firefly.inp (generated)

000400248.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000400248.mol 000400248.PUBCHEM 000400248.mol (via Jmol)
000400421.b3lyp_6-31g(d).inp

000400421.b3lyp_6-31g(d).qchem.inp (generated)

000400421.b3lyp_6-31g(d).gjf (generated)

000400421.b3lyp_6-31g(d).firefly.inp (generated)

000400421.b3lyp_6-31g(d).smash.inp (generated)

000400421.b3lyp_6-31g(d).nwchem.inp (generated) 000400421.b3lyp_6-31g(d).log.xz 000400421.td-b3lyp_6-31g+(d).inp 000400421.td-b3lyp_6-31g+(d).log.xz

000400421.td-b3lyp_6-31+g(d).qchem.inp (generated)

000400421.td-b3lyp_6-31+g(d).gjf (generated)

000400421.td-b3lyp_6-31+g(d).firefly.inp (generated)

000400421.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000400421.mol 000400421.PUBCHEM 000400421.mol (via Jmol)
000400433.b3lyp_6-31g(d).inp

000400433.b3lyp_6-31g(d).qchem.inp (generated)

000400433.b3lyp_6-31g(d).gjf (generated)

000400433.b3lyp_6-31g(d).firefly.inp (generated)

000400433.b3lyp_6-31g(d).smash.inp (generated)

000400433.b3lyp_6-31g(d).nwchem.inp (generated) 000400433.b3lyp_6-31g(d).log.xz 000400433.td-b3lyp_6-31g+(d).inp 000400433.td-b3lyp_6-31g+(d).log.xz

000400433.td-b3lyp_6-31+g(d).qchem.inp (generated)

000400433.td-b3lyp_6-31+g(d).gjf (generated)

000400433.td-b3lyp_6-31+g(d).firefly.inp (generated)

000400433.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000400433.mol 000400433.PUBCHEM 000400433.mol (via Jmol)
000400445.b3lyp_6-31g(d).inp

000400445.b3lyp_6-31g(d).qchem.inp (generated)

000400445.b3lyp_6-31g(d).gjf (generated)

000400445.b3lyp_6-31g(d).firefly.inp (generated)

000400445.b3lyp_6-31g(d).smash.inp (generated)

000400445.b3lyp_6-31g(d).nwchem.inp (generated) 000400445.b3lyp_6-31g(d).log.xz 000400445.td-b3lyp_6-31g+(d).inp 000400445.td-b3lyp_6-31g+(d).log.xz

000400445.td-b3lyp_6-31+g(d).qchem.inp (generated)

000400445.td-b3lyp_6-31+g(d).gjf (generated)

000400445.td-b3lyp_6-31+g(d).firefly.inp (generated)

000400445.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000400445.mol 000400445.PUBCHEM 000400445.mol (via Jmol)
000400454.b3lyp_6-31g(d).inp

000400454.b3lyp_6-31g(d).qchem.inp (generated)

000400454.b3lyp_6-31g(d).gjf (generated)

000400454.b3lyp_6-31g(d).firefly.inp (generated)

000400454.b3lyp_6-31g(d).smash.inp (generated)

000400454.b3lyp_6-31g(d).nwchem.inp (generated) 000400454.b3lyp_6-31g(d).log.xz 000400454.td-b3lyp_6-31g+(d).inp 000400454.td-b3lyp_6-31g+(d).log.xz

000400454.td-b3lyp_6-31+g(d).qchem.inp (generated)

000400454.td-b3lyp_6-31+g(d).gjf (generated)

000400454.td-b3lyp_6-31+g(d).firefly.inp (generated)

000400454.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000400454.mol 000400454.PUBCHEM 000400454.mol (via Jmol)
000400455.b3lyp_6-31g(d).inp

000400455.b3lyp_6-31g(d).qchem.inp (generated)

000400455.b3lyp_6-31g(d).gjf (generated)

000400455.b3lyp_6-31g(d).firefly.inp (generated)

000400455.b3lyp_6-31g(d).smash.inp (generated)

000400455.b3lyp_6-31g(d).nwchem.inp (generated) 000400455.b3lyp_6-31g(d).log.xz 000400455.td-b3lyp_6-31g+(d).inp 000400455.td-b3lyp_6-31g+(d).log.xz

000400455.td-b3lyp_6-31+g(d).qchem.inp (generated)

000400455.td-b3lyp_6-31+g(d).gjf (generated)

000400455.td-b3lyp_6-31+g(d).firefly.inp (generated)

000400455.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000400455.mol 000400455.PUBCHEM 000400455.mol (via Jmol)
000400457.b3lyp_6-31g(d).inp

000400457.b3lyp_6-31g(d).qchem.inp (generated)

000400457.b3lyp_6-31g(d).gjf (generated)

000400457.b3lyp_6-31g(d).firefly.inp (generated)

000400457.b3lyp_6-31g(d).smash.inp (generated)

000400457.b3lyp_6-31g(d).nwchem.inp (generated) 000400457.b3lyp_6-31g(d).log.xz 000400457.td-b3lyp_6-31g+(d).inp 000400457.td-b3lyp_6-31g+(d).log.xz

000400457.td-b3lyp_6-31+g(d).qchem.inp (generated)

000400457.td-b3lyp_6-31+g(d).gjf (generated)

000400457.td-b3lyp_6-31+g(d).firefly.inp (generated)

000400457.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000400457.mol 000400457.PUBCHEM 000400457.mol (via Jmol)
000400481.b3lyp_6-31g(d).inp

000400481.b3lyp_6-31g(d).qchem.inp (generated)

000400481.b3lyp_6-31g(d).gjf (generated)

000400481.b3lyp_6-31g(d).firefly.inp (generated)

000400481.b3lyp_6-31g(d).smash.inp (generated)

000400481.b3lyp_6-31g(d).nwchem.inp (generated) 000400481.b3lyp_6-31g(d).log.xz 000400481.td-b3lyp_6-31g+(d).inp 000400481.td-b3lyp_6-31g+(d).log.xz

000400481.td-b3lyp_6-31+g(d).qchem.inp (generated)

000400481.td-b3lyp_6-31+g(d).gjf (generated)

000400481.td-b3lyp_6-31+g(d).firefly.inp (generated)

000400481.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000400481.mol 000400481.PUBCHEM 000400481.mol (via Jmol)
000400482.b3lyp_6-31g(d).inp

000400482.b3lyp_6-31g(d).qchem.inp (generated)

000400482.b3lyp_6-31g(d).gjf (generated)

000400482.b3lyp_6-31g(d).firefly.inp (generated)

000400482.b3lyp_6-31g(d).smash.inp (generated)

000400482.b3lyp_6-31g(d).nwchem.inp (generated) 000400482.b3lyp_6-31g(d).log.xz 000400482.td-b3lyp_6-31g+(d).inp 000400482.td-b3lyp_6-31g+(d).log.xz

000400482.td-b3lyp_6-31+g(d).qchem.inp (generated)

000400482.td-b3lyp_6-31+g(d).gjf (generated)

000400482.td-b3lyp_6-31+g(d).firefly.inp (generated)

000400482.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000400482.mol 000400482.PUBCHEM 000400482.mol (via Jmol)
000400538.b3lyp_6-31g(d).inp

000400538.b3lyp_6-31g(d).qchem.inp (generated)

000400538.b3lyp_6-31g(d).gjf (generated)

000400538.b3lyp_6-31g(d).firefly.inp (generated)

000400538.b3lyp_6-31g(d).smash.inp (generated)

000400538.b3lyp_6-31g(d).nwchem.inp (generated) 000400538.b3lyp_6-31g(d).log.xz 000400538.td-b3lyp_6-31g+(d).inp 000400538.td-b3lyp_6-31g+(d).log.xz

000400538.td-b3lyp_6-31+g(d).qchem.inp (generated)

000400538.td-b3lyp_6-31+g(d).gjf (generated)

000400538.td-b3lyp_6-31+g(d).firefly.inp (generated)

000400538.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000400538.mol 000400538.PUBCHEM 000400538.mol (via Jmol)
000400539.b3lyp_6-31g(d).inp

000400539.b3lyp_6-31g(d).qchem.inp (generated)

000400539.b3lyp_6-31g(d).gjf (generated)

000400539.b3lyp_6-31g(d).firefly.inp (generated)

000400539.b3lyp_6-31g(d).smash.inp (generated)

000400539.b3lyp_6-31g(d).nwchem.inp (generated) 000400539.b3lyp_6-31g(d).log.xz 000400539.td-b3lyp_6-31g+(d).inp 000400539.td-b3lyp_6-31g+(d).log.xz

000400539.td-b3lyp_6-31+g(d).qchem.inp (generated)

000400539.td-b3lyp_6-31+g(d).gjf (generated)

000400539.td-b3lyp_6-31+g(d).firefly.inp (generated)

000400539.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000400539.mol 000400539.PUBCHEM 000400539.mol (via Jmol)
000400540.b3lyp_6-31g(d).inp

000400540.b3lyp_6-31g(d).qchem.inp (generated)

000400540.b3lyp_6-31g(d).gjf (generated)

000400540.b3lyp_6-31g(d).firefly.inp (generated)

000400540.b3lyp_6-31g(d).smash.inp (generated)

000400540.b3lyp_6-31g(d).nwchem.inp (generated) 000400540.b3lyp_6-31g(d).log.xz 000400540.td-b3lyp_6-31g+(d).inp 000400540.td-b3lyp_6-31g+(d).log.xz

000400540.td-b3lyp_6-31+g(d).qchem.inp (generated)

000400540.td-b3lyp_6-31+g(d).gjf (generated)

000400540.td-b3lyp_6-31+g(d).firefly.inp (generated)

000400540.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000400540.mol 000400540.PUBCHEM 000400540.mol (via Jmol)
000400549.b3lyp_6-31g(d).inp

000400549.b3lyp_6-31g(d).qchem.inp (generated)

000400549.b3lyp_6-31g(d).gjf (generated)

000400549.b3lyp_6-31g(d).firefly.inp (generated)

000400549.b3lyp_6-31g(d).smash.inp (generated)

000400549.b3lyp_6-31g(d).nwchem.inp (generated) 000400549.b3lyp_6-31g(d).log.xz 000400549.td-b3lyp_6-31g+(d).inp 000400549.td-b3lyp_6-31g+(d).log.xz

000400549.td-b3lyp_6-31+g(d).qchem.inp (generated)

000400549.td-b3lyp_6-31+g(d).gjf (generated)

000400549.td-b3lyp_6-31+g(d).firefly.inp (generated)

000400549.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000400549.mol 000400549.PUBCHEM 000400549.mol (via Jmol)
000400550.b3lyp_6-31g(d).inp

000400550.b3lyp_6-31g(d).qchem.inp (generated)

000400550.b3lyp_6-31g(d).gjf (generated)

000400550.b3lyp_6-31g(d).firefly.inp (generated)

000400550.b3lyp_6-31g(d).smash.inp (generated)

000400550.b3lyp_6-31g(d).nwchem.inp (generated) 000400550.b3lyp_6-31g(d).log.xz 000400550.td-b3lyp_6-31g+(d).inp 000400550.td-b3lyp_6-31g+(d).log.xz

000400550.td-b3lyp_6-31+g(d).qchem.inp (generated)

000400550.td-b3lyp_6-31+g(d).gjf (generated)

000400550.td-b3lyp_6-31+g(d).firefly.inp (generated)

000400550.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000400550.mol 000400550.PUBCHEM 000400550.mol (via Jmol)
000400559.b3lyp_6-31g(d).inp

000400559.b3lyp_6-31g(d).qchem.inp (generated)

000400559.b3lyp_6-31g(d).gjf (generated)

000400559.b3lyp_6-31g(d).firefly.inp (generated)

000400559.b3lyp_6-31g(d).smash.inp (generated)

000400559.b3lyp_6-31g(d).nwchem.inp (generated) 000400559.b3lyp_6-31g(d).log.xz 000400559.td-b3lyp_6-31g+(d).inp 000400559.td-b3lyp_6-31g+(d).log.xz

000400559.td-b3lyp_6-31+g(d).qchem.inp (generated)

000400559.td-b3lyp_6-31+g(d).gjf (generated)

000400559.td-b3lyp_6-31+g(d).firefly.inp (generated)

000400559.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000400559.mol 000400559.PUBCHEM 000400559.mol (via Jmol)
000400563.b3lyp_6-31g(d).inp

000400563.b3lyp_6-31g(d).qchem.inp (generated)

000400563.b3lyp_6-31g(d).gjf (generated)

000400563.b3lyp_6-31g(d).firefly.inp (generated)

000400563.b3lyp_6-31g(d).smash.inp (generated)

000400563.b3lyp_6-31g(d).nwchem.inp (generated) 000400563.b3lyp_6-31g(d).log.xz 000400563.td-b3lyp_6-31g+(d).inp 000400563.td-b3lyp_6-31g+(d).log.xz

000400563.td-b3lyp_6-31+g(d).qchem.inp (generated)

000400563.td-b3lyp_6-31+g(d).gjf (generated)

000400563.td-b3lyp_6-31+g(d).firefly.inp (generated)

000400563.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000400563.mol 000400563.PUBCHEM 000400563.mol (via Jmol)
000400590.b3lyp_6-31g(d).inp

000400590.b3lyp_6-31g(d).qchem.inp (generated)

000400590.b3lyp_6-31g(d).gjf (generated)

000400590.b3lyp_6-31g(d).firefly.inp (generated)

000400590.b3lyp_6-31g(d).smash.inp (generated)

000400590.b3lyp_6-31g(d).nwchem.inp (generated) 000400590.b3lyp_6-31g(d).log.xz 000400590.td-b3lyp_6-31g+(d).inp 000400590.td-b3lyp_6-31g+(d).log.xz

000400590.td-b3lyp_6-31+g(d).qchem.inp (generated)

000400590.td-b3lyp_6-31+g(d).gjf (generated)

000400590.td-b3lyp_6-31+g(d).firefly.inp (generated)

000400590.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000400590.mol 000400590.PUBCHEM 000400590.mol (via Jmol)
000400685.b3lyp_6-31g(d).inp

000400685.b3lyp_6-31g(d).qchem.inp (generated)

000400685.b3lyp_6-31g(d).gjf (generated)

000400685.b3lyp_6-31g(d).firefly.inp (generated)

000400685.b3lyp_6-31g(d).smash.inp (generated)

000400685.b3lyp_6-31g(d).nwchem.inp (generated) 000400685.b3lyp_6-31g(d).log.xz 000400685.td-b3lyp_6-31g+(d).inp 000400685.td-b3lyp_6-31g+(d).log.xz

000400685.td-b3lyp_6-31+g(d).qchem.inp (generated)

000400685.td-b3lyp_6-31+g(d).gjf (generated)

000400685.td-b3lyp_6-31+g(d).firefly.inp (generated)

000400685.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000400685.mol 000400685.PUBCHEM 000400685.mol (via Jmol)
000400751.b3lyp_6-31g(d).inp

000400751.b3lyp_6-31g(d).qchem.inp (generated)

000400751.b3lyp_6-31g(d).gjf (generated)

000400751.b3lyp_6-31g(d).firefly.inp (generated)

000400751.b3lyp_6-31g(d).smash.inp (generated)

000400751.b3lyp_6-31g(d).nwchem.inp (generated) 000400751.b3lyp_6-31g(d).log.xz 000400751.td-b3lyp_6-31g+(d).inp 000400751.td-b3lyp_6-31g+(d).log.xz

000400751.td-b3lyp_6-31+g(d).qchem.inp (generated)

000400751.td-b3lyp_6-31+g(d).gjf (generated)

000400751.td-b3lyp_6-31+g(d).firefly.inp (generated)

000400751.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000400751.mol 000400751.PUBCHEM 000400751.mol (via Jmol)
000400911.b3lyp_6-31g(d).inp

000400911.b3lyp_6-31g(d).qchem.inp (generated)

000400911.b3lyp_6-31g(d).gjf (generated)

000400911.b3lyp_6-31g(d).firefly.inp (generated)

000400911.b3lyp_6-31g(d).smash.inp (generated)

000400911.b3lyp_6-31g(d).nwchem.inp (generated) 000400911.b3lyp_6-31g(d).log.xz 000400911.td-b3lyp_6-31g+(d).inp 000400911.td-b3lyp_6-31g+(d).log.xz

000400911.td-b3lyp_6-31+g(d).qchem.inp (generated)

000400911.td-b3lyp_6-31+g(d).gjf (generated)

000400911.td-b3lyp_6-31+g(d).firefly.inp (generated)

000400911.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000400911.mol 000400911.PUBCHEM 000400911.mol (via Jmol)
000400917.b3lyp_6-31g(d).inp

000400917.b3lyp_6-31g(d).qchem.inp (generated)

000400917.b3lyp_6-31g(d).gjf (generated)

000400917.b3lyp_6-31g(d).firefly.inp (generated)

000400917.b3lyp_6-31g(d).smash.inp (generated)

000400917.b3lyp_6-31g(d).nwchem.inp (generated) 000400917.b3lyp_6-31g(d).log.xz 000400917.td-b3lyp_6-31g+(d).inp 000400917.td-b3lyp_6-31g+(d).log.xz

000400917.td-b3lyp_6-31+g(d).qchem.inp (generated)

000400917.td-b3lyp_6-31+g(d).gjf (generated)

000400917.td-b3lyp_6-31+g(d).firefly.inp (generated)

000400917.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000400917.mol 000400917.PUBCHEM 000400917.mol (via Jmol)
000400936.b3lyp_6-31g(d).inp

000400936.b3lyp_6-31g(d).qchem.inp (generated)

000400936.b3lyp_6-31g(d).gjf (generated)

000400936.b3lyp_6-31g(d).firefly.inp (generated)

000400936.b3lyp_6-31g(d).smash.inp (generated)

000400936.b3lyp_6-31g(d).nwchem.inp (generated) 000400936.b3lyp_6-31g(d).log.xz 000400936.td-b3lyp_6-31g+(d).inp 000400936.td-b3lyp_6-31g+(d).log.xz

000400936.td-b3lyp_6-31+g(d).qchem.inp (generated)

000400936.td-b3lyp_6-31+g(d).gjf (generated)

000400936.td-b3lyp_6-31+g(d).firefly.inp (generated)

000400936.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000400936.mol 000400936.PUBCHEM 000400936.mol (via Jmol)
000401078.b3lyp_6-31g(d).inp

000401078.b3lyp_6-31g(d).qchem.inp (generated)

000401078.b3lyp_6-31g(d).gjf (generated)

000401078.b3lyp_6-31g(d).firefly.inp (generated)

000401078.b3lyp_6-31g(d).smash.inp (generated)

000401078.b3lyp_6-31g(d).nwchem.inp (generated) 000401078.b3lyp_6-31g(d).log.xz 000401078.td-b3lyp_6-31g+(d).inp 000401078.td-b3lyp_6-31g+(d).log.xz

000401078.td-b3lyp_6-31+g(d).qchem.inp (generated)

000401078.td-b3lyp_6-31+g(d).gjf (generated)

000401078.td-b3lyp_6-31+g(d).firefly.inp (generated)

000401078.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000401078.mol 000401078.PUBCHEM 000401078.mol (via Jmol)
000401234.b3lyp_6-31g(d).inp

000401234.b3lyp_6-31g(d).qchem.inp (generated)

000401234.b3lyp_6-31g(d).gjf (generated)

000401234.b3lyp_6-31g(d).firefly.inp (generated)

000401234.b3lyp_6-31g(d).smash.inp (generated)

000401234.b3lyp_6-31g(d).nwchem.inp (generated) 000401234.b3lyp_6-31g(d).log.xz 000401234.td-b3lyp_6-31g+(d).inp 000401234.td-b3lyp_6-31g+(d).log.xz

000401234.td-b3lyp_6-31+g(d).qchem.inp (generated)

000401234.td-b3lyp_6-31+g(d).gjf (generated)

000401234.td-b3lyp_6-31+g(d).firefly.inp (generated)

000401234.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000401234.mol 000401234.PUBCHEM 000401234.mol (via Jmol)
000401235.b3lyp_6-31g(d).inp

000401235.b3lyp_6-31g(d).qchem.inp (generated)

000401235.b3lyp_6-31g(d).gjf (generated)

000401235.b3lyp_6-31g(d).firefly.inp (generated)

000401235.b3lyp_6-31g(d).smash.inp (generated)

000401235.b3lyp_6-31g(d).nwchem.inp (generated) 000401235.b3lyp_6-31g(d).log.xz 000401235.td-b3lyp_6-31g+(d).inp 000401235.td-b3lyp_6-31g+(d).log.xz

000401235.td-b3lyp_6-31+g(d).qchem.inp (generated)

000401235.td-b3lyp_6-31+g(d).gjf (generated)

000401235.td-b3lyp_6-31+g(d).firefly.inp (generated)

000401235.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000401235.mol 000401235.PUBCHEM 000401235.mol (via Jmol)
000401396.b3lyp_6-31g(d).inp

000401396.b3lyp_6-31g(d).qchem.inp (generated)

000401396.b3lyp_6-31g(d).gjf (generated)

000401396.b3lyp_6-31g(d).firefly.inp (generated)

000401396.b3lyp_6-31g(d).smash.inp (generated)

000401396.b3lyp_6-31g(d).nwchem.inp (generated) 000401396.b3lyp_6-31g(d).log.xz 000401396.td-b3lyp_6-31g+(d).inp 000401396.td-b3lyp_6-31g+(d).log.xz

000401396.td-b3lyp_6-31+g(d).qchem.inp (generated)

000401396.td-b3lyp_6-31+g(d).gjf (generated)

000401396.td-b3lyp_6-31+g(d).firefly.inp (generated)

000401396.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000401396.mol 000401396.PUBCHEM 000401396.mol (via Jmol)
000401400.b3lyp_6-31g(d).inp

000401400.b3lyp_6-31g(d).qchem.inp (generated)

000401400.b3lyp_6-31g(d).gjf (generated)

000401400.b3lyp_6-31g(d).firefly.inp (generated)

000401400.b3lyp_6-31g(d).smash.inp (generated)

000401400.b3lyp_6-31g(d).nwchem.inp (generated) 000401400.b3lyp_6-31g(d).log.xz 000401400.td-b3lyp_6-31g+(d).inp 000401400.td-b3lyp_6-31g+(d).log.xz

000401400.td-b3lyp_6-31+g(d).qchem.inp (generated)

000401400.td-b3lyp_6-31+g(d).gjf (generated)

000401400.td-b3lyp_6-31+g(d).firefly.inp (generated)

000401400.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000401400.mol 000401400.PUBCHEM 000401400.mol (via Jmol)
000401402.b3lyp_6-31g(d).inp

000401402.b3lyp_6-31g(d).qchem.inp (generated)

000401402.b3lyp_6-31g(d).gjf (generated)

000401402.b3lyp_6-31g(d).firefly.inp (generated)

000401402.b3lyp_6-31g(d).smash.inp (generated)

000401402.b3lyp_6-31g(d).nwchem.inp (generated) 000401402.b3lyp_6-31g(d).log.xz 000401402.td-b3lyp_6-31g+(d).inp 000401402.td-b3lyp_6-31g+(d).log.xz

000401402.td-b3lyp_6-31+g(d).qchem.inp (generated)

000401402.td-b3lyp_6-31+g(d).gjf (generated)

000401402.td-b3lyp_6-31+g(d).firefly.inp (generated)

000401402.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000401402.mol 000401402.PUBCHEM 000401402.mol (via Jmol)
000401404.b3lyp_6-31g(d).inp

000401404.b3lyp_6-31g(d).qchem.inp (generated)

000401404.b3lyp_6-31g(d).gjf (generated)

000401404.b3lyp_6-31g(d).firefly.inp (generated)

000401404.b3lyp_6-31g(d).smash.inp (generated)

000401404.b3lyp_6-31g(d).nwchem.inp (generated) 000401404.b3lyp_6-31g(d).log.xz 000401404.td-b3lyp_6-31g+(d).inp 000401404.td-b3lyp_6-31g+(d).log.xz

000401404.td-b3lyp_6-31+g(d).qchem.inp (generated)

000401404.td-b3lyp_6-31+g(d).gjf (generated)

000401404.td-b3lyp_6-31+g(d).firefly.inp (generated)

000401404.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000401404.mol 000401404.PUBCHEM 000401404.mol (via Jmol)
000401446.b3lyp_6-31g(d).inp

000401446.b3lyp_6-31g(d).qchem.inp (generated)

000401446.b3lyp_6-31g(d).gjf (generated)

000401446.b3lyp_6-31g(d).firefly.inp (generated)

000401446.b3lyp_6-31g(d).smash.inp (generated)

000401446.b3lyp_6-31g(d).nwchem.inp (generated) 000401446.b3lyp_6-31g(d).log.xz 000401446.td-b3lyp_6-31g+(d).inp 000401446.td-b3lyp_6-31g+(d).log.xz

000401446.td-b3lyp_6-31+g(d).qchem.inp (generated)

000401446.td-b3lyp_6-31+g(d).gjf (generated)

000401446.td-b3lyp_6-31+g(d).firefly.inp (generated)

000401446.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000401446.mol 000401446.PUBCHEM 000401446.mol (via Jmol)
000401483.b3lyp_6-31g(d).inp

000401483.b3lyp_6-31g(d).qchem.inp (generated)

000401483.b3lyp_6-31g(d).gjf (generated)

000401483.b3lyp_6-31g(d).firefly.inp (generated)

000401483.b3lyp_6-31g(d).smash.inp (generated)

000401483.b3lyp_6-31g(d).nwchem.inp (generated) 000401483.b3lyp_6-31g(d).log.xz 000401483.td-b3lyp_6-31g+(d).inp 000401483.td-b3lyp_6-31g+(d).log.xz

000401483.td-b3lyp_6-31+g(d).qchem.inp (generated)

000401483.td-b3lyp_6-31+g(d).gjf (generated)

000401483.td-b3lyp_6-31+g(d).firefly.inp (generated)

000401483.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000401483.mol 000401483.PUBCHEM 000401483.mol (via Jmol)
000401567.b3lyp_6-31g(d).inp

000401567.b3lyp_6-31g(d).qchem.inp (generated)

000401567.b3lyp_6-31g(d).gjf (generated)

000401567.b3lyp_6-31g(d).firefly.inp (generated)

000401567.b3lyp_6-31g(d).smash.inp (generated)

000401567.b3lyp_6-31g(d).nwchem.inp (generated) 000401567.b3lyp_6-31g(d).log.xz 000401567.td-b3lyp_6-31g+(d).inp 000401567.td-b3lyp_6-31g+(d).log.xz

000401567.td-b3lyp_6-31+g(d).qchem.inp (generated)

000401567.td-b3lyp_6-31+g(d).gjf (generated)

000401567.td-b3lyp_6-31+g(d).firefly.inp (generated)

000401567.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000401567.mol 000401567.PUBCHEM 000401567.mol (via Jmol)
000401570.b3lyp_6-31g(d).inp

000401570.b3lyp_6-31g(d).qchem.inp (generated)

000401570.b3lyp_6-31g(d).gjf (generated)

000401570.b3lyp_6-31g(d).firefly.inp (generated)

000401570.b3lyp_6-31g(d).smash.inp (generated)

000401570.b3lyp_6-31g(d).nwchem.inp (generated) 000401570.b3lyp_6-31g(d).log.xz 000401570.td-b3lyp_6-31g+(d).inp 000401570.td-b3lyp_6-31g+(d).log.xz

000401570.td-b3lyp_6-31+g(d).qchem.inp (generated)

000401570.td-b3lyp_6-31+g(d).gjf (generated)

000401570.td-b3lyp_6-31+g(d).firefly.inp (generated)

000401570.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000401570.mol 000401570.PUBCHEM 000401570.mol (via Jmol)
000401571.b3lyp_6-31g(d).inp

000401571.b3lyp_6-31g(d).qchem.inp (generated)

000401571.b3lyp_6-31g(d).gjf (generated)

000401571.b3lyp_6-31g(d).firefly.inp (generated)

000401571.b3lyp_6-31g(d).smash.inp (generated)

000401571.b3lyp_6-31g(d).nwchem.inp (generated) 000401571.b3lyp_6-31g(d).log.xz 000401571.td-b3lyp_6-31g+(d).inp 000401571.td-b3lyp_6-31g+(d).log.xz

000401571.td-b3lyp_6-31+g(d).qchem.inp (generated)

000401571.td-b3lyp_6-31+g(d).gjf (generated)

000401571.td-b3lyp_6-31+g(d).firefly.inp (generated)

000401571.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000401571.mol 000401571.PUBCHEM 000401571.mol (via Jmol)
000401575.b3lyp_6-31g(d).inp

000401575.b3lyp_6-31g(d).qchem.inp (generated)

000401575.b3lyp_6-31g(d).gjf (generated)

000401575.b3lyp_6-31g(d).firefly.inp (generated)

000401575.b3lyp_6-31g(d).smash.inp (generated)

000401575.b3lyp_6-31g(d).nwchem.inp (generated) 000401575.b3lyp_6-31g(d).log.xz 000401575.td-b3lyp_6-31g+(d).inp 000401575.td-b3lyp_6-31g+(d).log.xz

000401575.td-b3lyp_6-31+g(d).qchem.inp (generated)

000401575.td-b3lyp_6-31+g(d).gjf (generated)

000401575.td-b3lyp_6-31+g(d).firefly.inp (generated)

000401575.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000401575.mol 000401575.PUBCHEM 000401575.mol (via Jmol)
000401580.b3lyp_6-31g(d).inp

000401580.b3lyp_6-31g(d).qchem.inp (generated)

000401580.b3lyp_6-31g(d).gjf (generated)

000401580.b3lyp_6-31g(d).firefly.inp (generated)

000401580.b3lyp_6-31g(d).smash.inp (generated)

000401580.b3lyp_6-31g(d).nwchem.inp (generated) 000401580.b3lyp_6-31g(d).log.xz 000401580.td-b3lyp_6-31g+(d).inp 000401580.td-b3lyp_6-31g+(d).log.xz

000401580.td-b3lyp_6-31+g(d).qchem.inp (generated)

000401580.td-b3lyp_6-31+g(d).gjf (generated)

000401580.td-b3lyp_6-31+g(d).firefly.inp (generated)

000401580.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000401580.mol 000401580.PUBCHEM 000401580.mol (via Jmol)
000401584.b3lyp_6-31g(d).inp

000401584.b3lyp_6-31g(d).qchem.inp (generated)

000401584.b3lyp_6-31g(d).gjf (generated)

000401584.b3lyp_6-31g(d).firefly.inp (generated)

000401584.b3lyp_6-31g(d).smash.inp (generated)

000401584.b3lyp_6-31g(d).nwchem.inp (generated) 000401584.b3lyp_6-31g(d).log.xz 000401584.td-b3lyp_6-31g+(d).inp 000401584.td-b3lyp_6-31g+(d).log.xz

000401584.td-b3lyp_6-31+g(d).qchem.inp (generated)

000401584.td-b3lyp_6-31+g(d).gjf (generated)

000401584.td-b3lyp_6-31+g(d).firefly.inp (generated)

000401584.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000401584.mol 000401584.PUBCHEM 000401584.mol (via Jmol)
000401585.b3lyp_6-31g(d).inp

000401585.b3lyp_6-31g(d).qchem.inp (generated)

000401585.b3lyp_6-31g(d).gjf (generated)

000401585.b3lyp_6-31g(d).firefly.inp (generated)

000401585.b3lyp_6-31g(d).smash.inp (generated)

000401585.b3lyp_6-31g(d).nwchem.inp (generated) 000401585.b3lyp_6-31g(d).log.xz 000401585.td-b3lyp_6-31g+(d).inp 000401585.td-b3lyp_6-31g+(d).log.xz

000401585.td-b3lyp_6-31+g(d).qchem.inp (generated)

000401585.td-b3lyp_6-31+g(d).gjf (generated)

000401585.td-b3lyp_6-31+g(d).firefly.inp (generated)

000401585.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000401585.mol 000401585.PUBCHEM 000401585.mol (via Jmol)
000401587.b3lyp_6-31g(d).inp

000401587.b3lyp_6-31g(d).qchem.inp (generated)

000401587.b3lyp_6-31g(d).gjf (generated)

000401587.b3lyp_6-31g(d).firefly.inp (generated)

000401587.b3lyp_6-31g(d).smash.inp (generated)

000401587.b3lyp_6-31g(d).nwchem.inp (generated) 000401587.b3lyp_6-31g(d).log.xz 000401587.td-b3lyp_6-31g+(d).inp 000401587.td-b3lyp_6-31g+(d).log.xz

000401587.td-b3lyp_6-31+g(d).qchem.inp (generated)

000401587.td-b3lyp_6-31+g(d).gjf (generated)

000401587.td-b3lyp_6-31+g(d).firefly.inp (generated)

000401587.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000401587.mol 000401587.PUBCHEM 000401587.mol (via Jmol)
000401626.b3lyp_6-31g(d).inp

000401626.b3lyp_6-31g(d).qchem.inp (generated)

000401626.b3lyp_6-31g(d).gjf (generated)

000401626.b3lyp_6-31g(d).firefly.inp (generated)

000401626.b3lyp_6-31g(d).smash.inp (generated)

000401626.b3lyp_6-31g(d).nwchem.inp (generated) 000401626.b3lyp_6-31g(d).log.xz 000401626.td-b3lyp_6-31g+(d).inp 000401626.td-b3lyp_6-31g+(d).log.xz

000401626.td-b3lyp_6-31+g(d).qchem.inp (generated)

000401626.td-b3lyp_6-31+g(d).gjf (generated)

000401626.td-b3lyp_6-31+g(d).firefly.inp (generated)

000401626.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000401626.mol 000401626.PUBCHEM 000401626.mol (via Jmol)
000401641.b3lyp_6-31g(d).inp

000401641.b3lyp_6-31g(d).qchem.inp (generated)

000401641.b3lyp_6-31g(d).gjf (generated)

000401641.b3lyp_6-31g(d).firefly.inp (generated)

000401641.b3lyp_6-31g(d).smash.inp (generated)

000401641.b3lyp_6-31g(d).nwchem.inp (generated) 000401641.b3lyp_6-31g(d).log.xz 000401641.td-b3lyp_6-31g+(d).inp 000401641.td-b3lyp_6-31g+(d).log.xz

000401641.td-b3lyp_6-31+g(d).qchem.inp (generated)

000401641.td-b3lyp_6-31+g(d).gjf (generated)

000401641.td-b3lyp_6-31+g(d).firefly.inp (generated)

000401641.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000401641.mol 000401641.PUBCHEM 000401641.mol (via Jmol)
000401642.b3lyp_6-31g(d).inp

000401642.b3lyp_6-31g(d).qchem.inp (generated)

000401642.b3lyp_6-31g(d).gjf (generated)

000401642.b3lyp_6-31g(d).firefly.inp (generated)

000401642.b3lyp_6-31g(d).smash.inp (generated)

000401642.b3lyp_6-31g(d).nwchem.inp (generated) 000401642.b3lyp_6-31g(d).log.xz 000401642.td-b3lyp_6-31g+(d).inp 000401642.td-b3lyp_6-31g+(d).log.xz

000401642.td-b3lyp_6-31+g(d).qchem.inp (generated)

000401642.td-b3lyp_6-31+g(d).gjf (generated)

000401642.td-b3lyp_6-31+g(d).firefly.inp (generated)

000401642.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000401642.mol 000401642.PUBCHEM 000401642.mol (via Jmol)
000401653.b3lyp_6-31g(d).inp

000401653.b3lyp_6-31g(d).qchem.inp (generated)

000401653.b3lyp_6-31g(d).gjf (generated)

000401653.b3lyp_6-31g(d).firefly.inp (generated)

000401653.b3lyp_6-31g(d).smash.inp (generated)

000401653.b3lyp_6-31g(d).nwchem.inp (generated) 000401653.b3lyp_6-31g(d).log.xz 000401653.mol 000401653.PUBCHEM 000401653.mol (via Jmol)
000401680.b3lyp_6-31g(d).inp

000401680.b3lyp_6-31g(d).qchem.inp (generated)

000401680.b3lyp_6-31g(d).gjf (generated)

000401680.b3lyp_6-31g(d).firefly.inp (generated)

000401680.b3lyp_6-31g(d).smash.inp (generated)

000401680.b3lyp_6-31g(d).nwchem.inp (generated) 000401680.b3lyp_6-31g(d).log.xz 000401680.td-b3lyp_6-31g+(d).inp 000401680.td-b3lyp_6-31g+(d).log.xz

000401680.td-b3lyp_6-31+g(d).qchem.inp (generated)

000401680.td-b3lyp_6-31+g(d).gjf (generated)

000401680.td-b3lyp_6-31+g(d).firefly.inp (generated)

000401680.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000401680.mol 000401680.PUBCHEM 000401680.mol (via Jmol)
000401711.b3lyp_6-31g(d).inp

000401711.b3lyp_6-31g(d).qchem.inp (generated)

000401711.b3lyp_6-31g(d).gjf (generated)

000401711.b3lyp_6-31g(d).firefly.inp (generated)

000401711.b3lyp_6-31g(d).smash.inp (generated)

000401711.b3lyp_6-31g(d).nwchem.inp (generated) 000401711.b3lyp_6-31g(d).log.xz 000401711.td-b3lyp_6-31g+(d).inp 000401711.td-b3lyp_6-31g+(d).log.xz

000401711.td-b3lyp_6-31+g(d).qchem.inp (generated)

000401711.td-b3lyp_6-31+g(d).gjf (generated)

000401711.td-b3lyp_6-31+g(d).firefly.inp (generated)

000401711.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000401711.mol 000401711.PUBCHEM 000401711.mol (via Jmol)
000401712.b3lyp_6-31g(d).inp

000401712.b3lyp_6-31g(d).qchem.inp (generated)

000401712.b3lyp_6-31g(d).gjf (generated)

000401712.b3lyp_6-31g(d).firefly.inp (generated)

000401712.b3lyp_6-31g(d).smash.inp (generated)

000401712.b3lyp_6-31g(d).nwchem.inp (generated) 000401712.b3lyp_6-31g(d).log.xz 000401712.td-b3lyp_6-31g+(d).inp 000401712.td-b3lyp_6-31g+(d).log.xz

000401712.td-b3lyp_6-31+g(d).qchem.inp (generated)

000401712.td-b3lyp_6-31+g(d).gjf (generated)

000401712.td-b3lyp_6-31+g(d).firefly.inp (generated)

000401712.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000401712.mol 000401712.PUBCHEM 000401712.mol (via Jmol)
000401766.b3lyp_6-31g(d).inp

000401766.b3lyp_6-31g(d).qchem.inp (generated)

000401766.b3lyp_6-31g(d).gjf (generated)

000401766.b3lyp_6-31g(d).firefly.inp (generated)

000401766.b3lyp_6-31g(d).smash.inp (generated)

000401766.b3lyp_6-31g(d).nwchem.inp (generated) 000401766.b3lyp_6-31g(d).log.xz 000401766.td-b3lyp_6-31g+(d).inp 000401766.td-b3lyp_6-31g+(d).log.xz

000401766.td-b3lyp_6-31+g(d).qchem.inp (generated)

000401766.td-b3lyp_6-31+g(d).gjf (generated)

000401766.td-b3lyp_6-31+g(d).firefly.inp (generated)

000401766.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000401766.mol 000401766.PUBCHEM 000401766.mol (via Jmol)
000401776.b3lyp_6-31g(d).inp

000401776.b3lyp_6-31g(d).qchem.inp (generated)

000401776.b3lyp_6-31g(d).gjf (generated)

000401776.b3lyp_6-31g(d).firefly.inp (generated)

000401776.b3lyp_6-31g(d).smash.inp (generated)

000401776.b3lyp_6-31g(d).nwchem.inp (generated) 000401776.b3lyp_6-31g(d).log.xz 000401776.td-b3lyp_6-31g+(d).inp 000401776.td-b3lyp_6-31g+(d).log.xz

000401776.td-b3lyp_6-31+g(d).qchem.inp (generated)

000401776.td-b3lyp_6-31+g(d).gjf (generated)

000401776.td-b3lyp_6-31+g(d).firefly.inp (generated)

000401776.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000401776.mol 000401776.PUBCHEM 000401776.mol (via Jmol)
000401795.b3lyp_6-31g(d).inp

000401795.b3lyp_6-31g(d).qchem.inp (generated)

000401795.b3lyp_6-31g(d).gjf (generated)

000401795.b3lyp_6-31g(d).firefly.inp (generated)

000401795.b3lyp_6-31g(d).smash.inp (generated)

000401795.b3lyp_6-31g(d).nwchem.inp (generated) 000401795.b3lyp_6-31g(d).log.xz 000401795.td-b3lyp_6-31g+(d).inp 000401795.td-b3lyp_6-31g+(d).log.xz

000401795.td-b3lyp_6-31+g(d).qchem.inp (generated)

000401795.td-b3lyp_6-31+g(d).gjf (generated)

000401795.td-b3lyp_6-31+g(d).firefly.inp (generated)

000401795.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000401795.mol 000401795.PUBCHEM 000401795.mol (via Jmol)
000401837.b3lyp_6-31g(d).inp

000401837.b3lyp_6-31g(d).qchem.inp (generated)

000401837.b3lyp_6-31g(d).gjf (generated)

000401837.b3lyp_6-31g(d).firefly.inp (generated)

000401837.b3lyp_6-31g(d).smash.inp (generated)

000401837.b3lyp_6-31g(d).nwchem.inp (generated) 000401837.b3lyp_6-31g(d).log.xz 000401837.td-b3lyp_6-31g+(d).inp 000401837.td-b3lyp_6-31g+(d).log.xz

000401837.td-b3lyp_6-31+g(d).qchem.inp (generated)

000401837.td-b3lyp_6-31+g(d).gjf (generated)

000401837.td-b3lyp_6-31+g(d).firefly.inp (generated)

000401837.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000401837.mol 000401837.PUBCHEM 000401837.mol (via Jmol)
000401858.b3lyp_6-31g(d).inp

000401858.b3lyp_6-31g(d).qchem.inp (generated)

000401858.b3lyp_6-31g(d).gjf (generated)

000401858.b3lyp_6-31g(d).firefly.inp (generated)

000401858.b3lyp_6-31g(d).smash.inp (generated)

000401858.b3lyp_6-31g(d).nwchem.inp (generated) 000401858.b3lyp_6-31g(d).log.xz 000401858.td-b3lyp_6-31g+(d).inp 000401858.td-b3lyp_6-31g+(d).log.xz

000401858.td-b3lyp_6-31+g(d).qchem.inp (generated)

000401858.td-b3lyp_6-31+g(d).gjf (generated)

000401858.td-b3lyp_6-31+g(d).firefly.inp (generated)

000401858.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000401858.mol 000401858.PUBCHEM 000401858.mol (via Jmol)
000401869.b3lyp_6-31g(d).inp

000401869.b3lyp_6-31g(d).qchem.inp (generated)

000401869.b3lyp_6-31g(d).gjf (generated)

000401869.b3lyp_6-31g(d).firefly.inp (generated)

000401869.b3lyp_6-31g(d).smash.inp (generated)

000401869.b3lyp_6-31g(d).nwchem.inp (generated) 000401869.b3lyp_6-31g(d).log.xz 000401869.td-b3lyp_6-31g+(d).inp 000401869.td-b3lyp_6-31g+(d).log.xz

000401869.td-b3lyp_6-31+g(d).qchem.inp (generated)

000401869.td-b3lyp_6-31+g(d).gjf (generated)

000401869.td-b3lyp_6-31+g(d).firefly.inp (generated)

000401869.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000401869.mol 000401869.PUBCHEM 000401869.mol (via Jmol)
000401871.b3lyp_6-31g(d).inp

000401871.b3lyp_6-31g(d).qchem.inp (generated)

000401871.b3lyp_6-31g(d).gjf (generated)

000401871.b3lyp_6-31g(d).firefly.inp (generated)

000401871.b3lyp_6-31g(d).smash.inp (generated)

000401871.b3lyp_6-31g(d).nwchem.inp (generated) 000401871.b3lyp_6-31g(d).log.xz 000401871.td-b3lyp_6-31g+(d).inp 000401871.td-b3lyp_6-31g+(d).log.xz

000401871.td-b3lyp_6-31+g(d).qchem.inp (generated)

000401871.td-b3lyp_6-31+g(d).gjf (generated)

000401871.td-b3lyp_6-31+g(d).firefly.inp (generated)

000401871.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000401871.mol 000401871.PUBCHEM 000401871.mol (via Jmol)
000401880.b3lyp_6-31g(d).inp

000401880.b3lyp_6-31g(d).qchem.inp (generated)

000401880.b3lyp_6-31g(d).gjf (generated)

000401880.b3lyp_6-31g(d).firefly.inp (generated)

000401880.b3lyp_6-31g(d).smash.inp (generated)

000401880.b3lyp_6-31g(d).nwchem.inp (generated) 000401880.b3lyp_6-31g(d).log.xz 000401880.td-b3lyp_6-31g+(d).inp 000401880.td-b3lyp_6-31g+(d).log.xz

000401880.td-b3lyp_6-31+g(d).qchem.inp (generated)

000401880.td-b3lyp_6-31+g(d).gjf (generated)

000401880.td-b3lyp_6-31+g(d).firefly.inp (generated)

000401880.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000401880.mol 000401880.PUBCHEM 000401880.mol (via Jmol)
000401881.b3lyp_6-31g(d).inp

000401881.b3lyp_6-31g(d).qchem.inp (generated)

000401881.b3lyp_6-31g(d).gjf (generated)

000401881.b3lyp_6-31g(d).firefly.inp (generated)

000401881.b3lyp_6-31g(d).smash.inp (generated)

000401881.b3lyp_6-31g(d).nwchem.inp (generated) 000401881.b3lyp_6-31g(d).log.xz 000401881.td-b3lyp_6-31g+(d).inp 000401881.td-b3lyp_6-31g+(d).log.xz

000401881.td-b3lyp_6-31+g(d).qchem.inp (generated)

000401881.td-b3lyp_6-31+g(d).gjf (generated)

000401881.td-b3lyp_6-31+g(d).firefly.inp (generated)

000401881.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000401881.mol 000401881.PUBCHEM 000401881.mol (via Jmol)
000401882.b3lyp_6-31g(d).inp

000401882.b3lyp_6-31g(d).qchem.inp (generated)

000401882.b3lyp_6-31g(d).gjf (generated)

000401882.b3lyp_6-31g(d).firefly.inp (generated)

000401882.b3lyp_6-31g(d).smash.inp (generated)

000401882.b3lyp_6-31g(d).nwchem.inp (generated) 000401882.b3lyp_6-31g(d).log.xz 000401882.td-b3lyp_6-31g+(d).inp 000401882.td-b3lyp_6-31g+(d).log.xz

000401882.td-b3lyp_6-31+g(d).qchem.inp (generated)

000401882.td-b3lyp_6-31+g(d).gjf (generated)

000401882.td-b3lyp_6-31+g(d).firefly.inp (generated)

000401882.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000401882.mol 000401882.PUBCHEM 000401882.mol (via Jmol)
000401969.b3lyp_6-31g(d).inp

000401969.b3lyp_6-31g(d).qchem.inp (generated)

000401969.b3lyp_6-31g(d).gjf (generated)

000401969.b3lyp_6-31g(d).firefly.inp (generated)

000401969.b3lyp_6-31g(d).smash.inp (generated)

000401969.b3lyp_6-31g(d).nwchem.inp (generated) 000401969.b3lyp_6-31g(d).log.xz 000401969.td-b3lyp_6-31g+(d).inp 000401969.td-b3lyp_6-31g+(d).log.xz

000401969.td-b3lyp_6-31+g(d).qchem.inp (generated)

000401969.td-b3lyp_6-31+g(d).gjf (generated)

000401969.td-b3lyp_6-31+g(d).firefly.inp (generated)

000401969.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000401969.mol 000401969.PUBCHEM 000401969.mol (via Jmol)
000401971.b3lyp_6-31g(d).inp

000401971.b3lyp_6-31g(d).qchem.inp (generated)

000401971.b3lyp_6-31g(d).gjf (generated)

000401971.b3lyp_6-31g(d).firefly.inp (generated)

000401971.b3lyp_6-31g(d).smash.inp (generated)

000401971.b3lyp_6-31g(d).nwchem.inp (generated) 000401971.b3lyp_6-31g(d).log.xz 000401971.td-b3lyp_6-31g+(d).inp 000401971.td-b3lyp_6-31g+(d).log.xz

000401971.td-b3lyp_6-31+g(d).qchem.inp (generated)

000401971.td-b3lyp_6-31+g(d).gjf (generated)

000401971.td-b3lyp_6-31+g(d).firefly.inp (generated)

000401971.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000401971.mol 000401971.PUBCHEM 000401971.mol (via Jmol)
000401973.b3lyp_6-31g(d).inp

000401973.b3lyp_6-31g(d).qchem.inp (generated)

000401973.b3lyp_6-31g(d).gjf (generated)

000401973.b3lyp_6-31g(d).firefly.inp (generated)

000401973.b3lyp_6-31g(d).smash.inp (generated)

000401973.b3lyp_6-31g(d).nwchem.inp (generated) 000401973.b3lyp_6-31g(d).log.xz 000401973.td-b3lyp_6-31g+(d).inp 000401973.td-b3lyp_6-31g+(d).log.xz

000401973.td-b3lyp_6-31+g(d).qchem.inp (generated)

000401973.td-b3lyp_6-31+g(d).gjf (generated)

000401973.td-b3lyp_6-31+g(d).firefly.inp (generated)

000401973.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000401973.mol 000401973.PUBCHEM 000401973.mol (via Jmol)
000401974.b3lyp_6-31g(d).inp

000401974.b3lyp_6-31g(d).qchem.inp (generated)

000401974.b3lyp_6-31g(d).gjf (generated)

000401974.b3lyp_6-31g(d).firefly.inp (generated)

000401974.b3lyp_6-31g(d).smash.inp (generated)

000401974.b3lyp_6-31g(d).nwchem.inp (generated) 000401974.b3lyp_6-31g(d).log.xz 000401974.td-b3lyp_6-31g+(d).inp 000401974.td-b3lyp_6-31g+(d).log.xz

000401974.td-b3lyp_6-31+g(d).qchem.inp (generated)

000401974.td-b3lyp_6-31+g(d).gjf (generated)

000401974.td-b3lyp_6-31+g(d).firefly.inp (generated)

000401974.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000401974.mol 000401974.PUBCHEM 000401974.mol (via Jmol)
000401978.b3lyp_6-31g(d).inp

000401978.b3lyp_6-31g(d).qchem.inp (generated)

000401978.b3lyp_6-31g(d).gjf (generated)

000401978.b3lyp_6-31g(d).firefly.inp (generated)

000401978.b3lyp_6-31g(d).smash.inp (generated)

000401978.b3lyp_6-31g(d).nwchem.inp (generated) 000401978.b3lyp_6-31g(d).log.xz 000401978.td-b3lyp_6-31g+(d).inp 000401978.td-b3lyp_6-31g+(d).log.xz

000401978.td-b3lyp_6-31+g(d).qchem.inp (generated)

000401978.td-b3lyp_6-31+g(d).gjf (generated)

000401978.td-b3lyp_6-31+g(d).firefly.inp (generated)

000401978.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000401978.mol 000401978.PUBCHEM 000401978.mol (via Jmol)
000402014.b3lyp_6-31g(d).inp

000402014.b3lyp_6-31g(d).qchem.inp (generated)

000402014.b3lyp_6-31g(d).gjf (generated)

000402014.b3lyp_6-31g(d).firefly.inp (generated)

000402014.b3lyp_6-31g(d).smash.inp (generated)

000402014.b3lyp_6-31g(d).nwchem.inp (generated) 000402014.b3lyp_6-31g(d).log.xz 000402014.td-b3lyp_6-31g+(d).inp 000402014.td-b3lyp_6-31g+(d).log.xz

000402014.td-b3lyp_6-31+g(d).qchem.inp (generated)

000402014.td-b3lyp_6-31+g(d).gjf (generated)

000402014.td-b3lyp_6-31+g(d).firefly.inp (generated)

000402014.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000402014.mol 000402014.PUBCHEM 000402014.mol (via Jmol)
000402063.b3lyp_6-31g(d).inp

000402063.b3lyp_6-31g(d).qchem.inp (generated)

000402063.b3lyp_6-31g(d).gjf (generated)

000402063.b3lyp_6-31g(d).firefly.inp (generated)

000402063.b3lyp_6-31g(d).smash.inp (generated)

000402063.b3lyp_6-31g(d).nwchem.inp (generated) 000402063.b3lyp_6-31g(d).log.xz 000402063.td-b3lyp_6-31g+(d).inp 000402063.td-b3lyp_6-31g+(d).log.xz

000402063.td-b3lyp_6-31+g(d).qchem.inp (generated)

000402063.td-b3lyp_6-31+g(d).gjf (generated)

000402063.td-b3lyp_6-31+g(d).firefly.inp (generated)

000402063.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000402063.mol 000402063.PUBCHEM 000402063.mol (via Jmol)
000402101.b3lyp_6-31g(d).inp

000402101.b3lyp_6-31g(d).qchem.inp (generated)

000402101.b3lyp_6-31g(d).gjf (generated)

000402101.b3lyp_6-31g(d).firefly.inp (generated)

000402101.b3lyp_6-31g(d).smash.inp (generated)

000402101.b3lyp_6-31g(d).nwchem.inp (generated) 000402101.b3lyp_6-31g(d).log.xz 000402101.mol 000402101.PUBCHEM 000402101.mol (via Jmol)
000402105.b3lyp_6-31g(d).inp

000402105.b3lyp_6-31g(d).qchem.inp (generated)

000402105.b3lyp_6-31g(d).gjf (generated)

000402105.b3lyp_6-31g(d).firefly.inp (generated)

000402105.b3lyp_6-31g(d).smash.inp (generated)

000402105.b3lyp_6-31g(d).nwchem.inp (generated) 000402105.b3lyp_6-31g(d).log.xz 000402105.td-b3lyp_6-31g+(d).inp 000402105.td-b3lyp_6-31g+(d).log.xz

000402105.td-b3lyp_6-31+g(d).qchem.inp (generated)

000402105.td-b3lyp_6-31+g(d).gjf (generated)

000402105.td-b3lyp_6-31+g(d).firefly.inp (generated)

000402105.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000402105.mol 000402105.PUBCHEM 000402105.mol (via Jmol)
000402136.b3lyp_6-31g(d).inp

000402136.b3lyp_6-31g(d).qchem.inp (generated)

000402136.b3lyp_6-31g(d).gjf (generated)

000402136.b3lyp_6-31g(d).firefly.inp (generated)

000402136.b3lyp_6-31g(d).smash.inp (generated)

000402136.b3lyp_6-31g(d).nwchem.inp (generated) 000402136.b3lyp_6-31g(d).log.xz 000402136.td-b3lyp_6-31g+(d).inp 000402136.td-b3lyp_6-31g+(d).log.xz

000402136.td-b3lyp_6-31+g(d).qchem.inp (generated)

000402136.td-b3lyp_6-31+g(d).gjf (generated)

000402136.td-b3lyp_6-31+g(d).firefly.inp (generated)

000402136.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000402136.mol 000402136.PUBCHEM 000402136.mol (via Jmol)
000402152.b3lyp_6-31g(d).inp

000402152.b3lyp_6-31g(d).qchem.inp (generated)

000402152.b3lyp_6-31g(d).gjf (generated)

000402152.b3lyp_6-31g(d).firefly.inp (generated)

000402152.b3lyp_6-31g(d).smash.inp (generated)

000402152.b3lyp_6-31g(d).nwchem.inp (generated) 000402152.b3lyp_6-31g(d).log.xz 000402152.td-b3lyp_6-31g+(d).inp 000402152.td-b3lyp_6-31g+(d).log.xz

000402152.td-b3lyp_6-31+g(d).qchem.inp (generated)

000402152.td-b3lyp_6-31+g(d).gjf (generated)

000402152.td-b3lyp_6-31+g(d).firefly.inp (generated)

000402152.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000402152.mol 000402152.PUBCHEM 000402152.mol (via Jmol)
000402479.b3lyp_6-31g(d).inp

000402479.b3lyp_6-31g(d).qchem.inp (generated)

000402479.b3lyp_6-31g(d).gjf (generated)

000402479.b3lyp_6-31g(d).firefly.inp (generated)

000402479.b3lyp_6-31g(d).smash.inp (generated)

000402479.b3lyp_6-31g(d).nwchem.inp (generated) 000402479.b3lyp_6-31g(d).log.xz 000402479.td-b3lyp_6-31g+(d).inp 000402479.td-b3lyp_6-31g+(d).log.xz

000402479.td-b3lyp_6-31+g(d).qchem.inp (generated)

000402479.td-b3lyp_6-31+g(d).gjf (generated)

000402479.td-b3lyp_6-31+g(d).firefly.inp (generated)

000402479.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000402479.mol 000402479.PUBCHEM 000402479.mol (via Jmol)
000402541.b3lyp_6-31g(d).inp

000402541.b3lyp_6-31g(d).qchem.inp (generated)

000402541.b3lyp_6-31g(d).gjf (generated)

000402541.b3lyp_6-31g(d).firefly.inp (generated)

000402541.b3lyp_6-31g(d).smash.inp (generated)

000402541.b3lyp_6-31g(d).nwchem.inp (generated) 000402541.b3lyp_6-31g(d).log.xz 000402541.td-b3lyp_6-31g+(d).inp 000402541.td-b3lyp_6-31g+(d).log.xz

000402541.td-b3lyp_6-31+g(d).qchem.inp (generated)

000402541.td-b3lyp_6-31+g(d).gjf (generated)

000402541.td-b3lyp_6-31+g(d).firefly.inp (generated)

000402541.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000402541.mol 000402541.PUBCHEM 000402541.mol (via Jmol)
000402542.b3lyp_6-31g(d).inp

000402542.b3lyp_6-31g(d).qchem.inp (generated)

000402542.b3lyp_6-31g(d).gjf (generated)

000402542.b3lyp_6-31g(d).firefly.inp (generated)

000402542.b3lyp_6-31g(d).smash.inp (generated)

000402542.b3lyp_6-31g(d).nwchem.inp (generated) 000402542.b3lyp_6-31g(d).log.xz 000402542.td-b3lyp_6-31g+(d).inp 000402542.td-b3lyp_6-31g+(d).log.xz

000402542.td-b3lyp_6-31+g(d).qchem.inp (generated)

000402542.td-b3lyp_6-31+g(d).gjf (generated)

000402542.td-b3lyp_6-31+g(d).firefly.inp (generated)

000402542.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000402542.mol 000402542.PUBCHEM 000402542.mol (via Jmol)
000402546.b3lyp_6-31g(d).inp

000402546.b3lyp_6-31g(d).qchem.inp (generated)

000402546.b3lyp_6-31g(d).gjf (generated)

000402546.b3lyp_6-31g(d).firefly.inp (generated)

000402546.b3lyp_6-31g(d).smash.inp (generated)

000402546.b3lyp_6-31g(d).nwchem.inp (generated) 000402546.b3lyp_6-31g(d).log.xz 000402546.td-b3lyp_6-31g+(d).inp 000402546.td-b3lyp_6-31g+(d).log.xz

000402546.td-b3lyp_6-31+g(d).qchem.inp (generated)

000402546.td-b3lyp_6-31+g(d).gjf (generated)

000402546.td-b3lyp_6-31+g(d).firefly.inp (generated)

000402546.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000402546.mol 000402546.PUBCHEM 000402546.mol (via Jmol)
000402547.b3lyp_6-31g(d).inp

000402547.b3lyp_6-31g(d).qchem.inp (generated)

000402547.b3lyp_6-31g(d).gjf (generated)

000402547.b3lyp_6-31g(d).firefly.inp (generated)

000402547.b3lyp_6-31g(d).smash.inp (generated)

000402547.b3lyp_6-31g(d).nwchem.inp (generated) 000402547.b3lyp_6-31g(d).log.xz 000402547.td-b3lyp_6-31g+(d).inp 000402547.td-b3lyp_6-31g+(d).log.xz

000402547.td-b3lyp_6-31+g(d).qchem.inp (generated)

000402547.td-b3lyp_6-31+g(d).gjf (generated)

000402547.td-b3lyp_6-31+g(d).firefly.inp (generated)

000402547.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000402547.mol 000402547.PUBCHEM 000402547.mol (via Jmol)
000402549.b3lyp_6-31g(d).inp

000402549.b3lyp_6-31g(d).qchem.inp (generated)

000402549.b3lyp_6-31g(d).gjf (generated)

000402549.b3lyp_6-31g(d).firefly.inp (generated)

000402549.b3lyp_6-31g(d).smash.inp (generated)

000402549.b3lyp_6-31g(d).nwchem.inp (generated) 000402549.b3lyp_6-31g(d).log.xz 000402549.td-b3lyp_6-31g+(d).inp 000402549.td-b3lyp_6-31g+(d).log.xz

000402549.td-b3lyp_6-31+g(d).qchem.inp (generated)

000402549.td-b3lyp_6-31+g(d).gjf (generated)

000402549.td-b3lyp_6-31+g(d).firefly.inp (generated)

000402549.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000402549.mol 000402549.PUBCHEM 000402549.mol (via Jmol)
000402550.b3lyp_6-31g(d).inp

000402550.b3lyp_6-31g(d).qchem.inp (generated)

000402550.b3lyp_6-31g(d).gjf (generated)

000402550.b3lyp_6-31g(d).firefly.inp (generated)

000402550.b3lyp_6-31g(d).smash.inp (generated)

000402550.b3lyp_6-31g(d).nwchem.inp (generated) 000402550.b3lyp_6-31g(d).log.xz 000402550.td-b3lyp_6-31g+(d).inp 000402550.td-b3lyp_6-31g+(d).log.xz

000402550.td-b3lyp_6-31+g(d).qchem.inp (generated)

000402550.td-b3lyp_6-31+g(d).gjf (generated)

000402550.td-b3lyp_6-31+g(d).firefly.inp (generated)

000402550.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000402550.mol 000402550.PUBCHEM 000402550.mol (via Jmol)
000402551.b3lyp_6-31g(d).inp

000402551.b3lyp_6-31g(d).qchem.inp (generated)

000402551.b3lyp_6-31g(d).gjf (generated)

000402551.b3lyp_6-31g(d).firefly.inp (generated)

000402551.b3lyp_6-31g(d).smash.inp (generated)

000402551.b3lyp_6-31g(d).nwchem.inp (generated) 000402551.b3lyp_6-31g(d).log.xz 000402551.td-b3lyp_6-31g+(d).inp 000402551.td-b3lyp_6-31g+(d).log.xz

000402551.td-b3lyp_6-31+g(d).qchem.inp (generated)

000402551.td-b3lyp_6-31+g(d).gjf (generated)

000402551.td-b3lyp_6-31+g(d).firefly.inp (generated)

000402551.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000402551.mol 000402551.PUBCHEM 000402551.mol (via Jmol)
000402562.b3lyp_6-31g(d).inp

000402562.b3lyp_6-31g(d).qchem.inp (generated)

000402562.b3lyp_6-31g(d).gjf (generated)

000402562.b3lyp_6-31g(d).firefly.inp (generated)

000402562.b3lyp_6-31g(d).smash.inp (generated)

000402562.b3lyp_6-31g(d).nwchem.inp (generated) 000402562.b3lyp_6-31g(d).log.xz 000402562.td-b3lyp_6-31g+(d).inp 000402562.td-b3lyp_6-31g+(d).log.xz

000402562.td-b3lyp_6-31+g(d).qchem.inp (generated)

000402562.td-b3lyp_6-31+g(d).gjf (generated)

000402562.td-b3lyp_6-31+g(d).firefly.inp (generated)

000402562.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000402562.mol 000402562.PUBCHEM 000402562.mol (via Jmol)
000402563.b3lyp_6-31g(d).inp

000402563.b3lyp_6-31g(d).qchem.inp (generated)

000402563.b3lyp_6-31g(d).gjf (generated)

000402563.b3lyp_6-31g(d).firefly.inp (generated)

000402563.b3lyp_6-31g(d).smash.inp (generated)

000402563.b3lyp_6-31g(d).nwchem.inp (generated) 000402563.b3lyp_6-31g(d).log.xz 000402563.td-b3lyp_6-31g+(d).inp 000402563.td-b3lyp_6-31g+(d).log.xz

000402563.td-b3lyp_6-31+g(d).qchem.inp (generated)

000402563.td-b3lyp_6-31+g(d).gjf (generated)

000402563.td-b3lyp_6-31+g(d).firefly.inp (generated)

000402563.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000402563.mol 000402563.PUBCHEM 000402563.mol (via Jmol)
000402564.b3lyp_6-31g(d).inp

000402564.b3lyp_6-31g(d).qchem.inp (generated)

000402564.b3lyp_6-31g(d).gjf (generated)

000402564.b3lyp_6-31g(d).firefly.inp (generated)

000402564.b3lyp_6-31g(d).smash.inp (generated)

000402564.b3lyp_6-31g(d).nwchem.inp (generated) 000402564.b3lyp_6-31g(d).log.xz 000402564.td-b3lyp_6-31g+(d).inp 000402564.td-b3lyp_6-31g+(d).log.xz

000402564.td-b3lyp_6-31+g(d).qchem.inp (generated)

000402564.td-b3lyp_6-31+g(d).gjf (generated)

000402564.td-b3lyp_6-31+g(d).firefly.inp (generated)

000402564.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000402564.mol 000402564.PUBCHEM 000402564.mol (via Jmol)
000402572.b3lyp_6-31g(d).inp

000402572.b3lyp_6-31g(d).qchem.inp (generated)

000402572.b3lyp_6-31g(d).gjf (generated)

000402572.b3lyp_6-31g(d).firefly.inp (generated)

000402572.b3lyp_6-31g(d).smash.inp (generated)

000402572.b3lyp_6-31g(d).nwchem.inp (generated) 000402572.b3lyp_6-31g(d).log.xz 000402572.td-b3lyp_6-31g+(d).inp 000402572.td-b3lyp_6-31g+(d).log.xz

000402572.td-b3lyp_6-31+g(d).qchem.inp (generated)

000402572.td-b3lyp_6-31+g(d).gjf (generated)

000402572.td-b3lyp_6-31+g(d).firefly.inp (generated)

000402572.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000402572.mol 000402572.PUBCHEM 000402572.mol (via Jmol)
000402574.b3lyp_6-31g(d).inp

000402574.b3lyp_6-31g(d).qchem.inp (generated)

000402574.b3lyp_6-31g(d).gjf (generated)

000402574.b3lyp_6-31g(d).firefly.inp (generated)

000402574.b3lyp_6-31g(d).smash.inp (generated)

000402574.b3lyp_6-31g(d).nwchem.inp (generated) 000402574.b3lyp_6-31g(d).log.xz 000402574.td-b3lyp_6-31g+(d).inp 000402574.td-b3lyp_6-31g+(d).log.xz

000402574.td-b3lyp_6-31+g(d).qchem.inp (generated)

000402574.td-b3lyp_6-31+g(d).gjf (generated)

000402574.td-b3lyp_6-31+g(d).firefly.inp (generated)

000402574.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000402574.mol 000402574.PUBCHEM 000402574.mol (via Jmol)
000402583.b3lyp_6-31g(d).inp

000402583.b3lyp_6-31g(d).qchem.inp (generated)

000402583.b3lyp_6-31g(d).gjf (generated)

000402583.b3lyp_6-31g(d).firefly.inp (generated)

000402583.b3lyp_6-31g(d).smash.inp (generated)

000402583.b3lyp_6-31g(d).nwchem.inp (generated) 000402583.b3lyp_6-31g(d).log.xz 000402583.td-b3lyp_6-31g+(d).inp 000402583.td-b3lyp_6-31g+(d).log.xz

000402583.td-b3lyp_6-31+g(d).qchem.inp (generated)

000402583.td-b3lyp_6-31+g(d).gjf (generated)

000402583.td-b3lyp_6-31+g(d).firefly.inp (generated)

000402583.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000402583.mol 000402583.PUBCHEM 000402583.mol (via Jmol)
000402585.b3lyp_6-31g(d).inp

000402585.b3lyp_6-31g(d).qchem.inp (generated)

000402585.b3lyp_6-31g(d).gjf (generated)

000402585.b3lyp_6-31g(d).firefly.inp (generated)

000402585.b3lyp_6-31g(d).smash.inp (generated)

000402585.b3lyp_6-31g(d).nwchem.inp (generated) 000402585.b3lyp_6-31g(d).log.xz 000402585.td-b3lyp_6-31g+(d).inp 000402585.td-b3lyp_6-31g+(d).log.xz

000402585.td-b3lyp_6-31+g(d).qchem.inp (generated)

000402585.td-b3lyp_6-31+g(d).gjf (generated)

000402585.td-b3lyp_6-31+g(d).firefly.inp (generated)

000402585.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000402585.mol 000402585.PUBCHEM 000402585.mol (via Jmol)
000402588.b3lyp_6-31g(d).inp

000402588.b3lyp_6-31g(d).qchem.inp (generated)

000402588.b3lyp_6-31g(d).gjf (generated)

000402588.b3lyp_6-31g(d).firefly.inp (generated)

000402588.b3lyp_6-31g(d).smash.inp (generated)

000402588.b3lyp_6-31g(d).nwchem.inp (generated) 000402588.b3lyp_6-31g(d).log.xz 000402588.td-b3lyp_6-31g+(d).inp 000402588.td-b3lyp_6-31g+(d).log.xz

000402588.td-b3lyp_6-31+g(d).qchem.inp (generated)

000402588.td-b3lyp_6-31+g(d).gjf (generated)

000402588.td-b3lyp_6-31+g(d).firefly.inp (generated)

000402588.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000402588.mol 000402588.PUBCHEM 000402588.mol (via Jmol)
000402618.b3lyp_6-31g(d).inp

000402618.b3lyp_6-31g(d).qchem.inp (generated)

000402618.b3lyp_6-31g(d).gjf (generated)

000402618.b3lyp_6-31g(d).firefly.inp (generated)

000402618.b3lyp_6-31g(d).smash.inp (generated)

000402618.b3lyp_6-31g(d).nwchem.inp (generated) 000402618.b3lyp_6-31g(d).log.xz 000402618.td-b3lyp_6-31g+(d).inp 000402618.td-b3lyp_6-31g+(d).log.xz

000402618.td-b3lyp_6-31+g(d).qchem.inp (generated)

000402618.td-b3lyp_6-31+g(d).gjf (generated)

000402618.td-b3lyp_6-31+g(d).firefly.inp (generated)

000402618.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000402618.mol 000402618.PUBCHEM 000402618.mol (via Jmol)
000402633.b3lyp_6-31g(d).inp

000402633.b3lyp_6-31g(d).qchem.inp (generated)

000402633.b3lyp_6-31g(d).gjf (generated)

000402633.b3lyp_6-31g(d).firefly.inp (generated)

000402633.b3lyp_6-31g(d).smash.inp (generated)

000402633.b3lyp_6-31g(d).nwchem.inp (generated) 000402633.b3lyp_6-31g(d).log.xz 000402633.td-b3lyp_6-31g+(d).inp 000402633.td-b3lyp_6-31g+(d).log.xz

000402633.td-b3lyp_6-31+g(d).qchem.inp (generated)

000402633.td-b3lyp_6-31+g(d).gjf (generated)

000402633.td-b3lyp_6-31+g(d).firefly.inp (generated)

000402633.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000402633.mol 000402633.PUBCHEM 000402633.mol (via Jmol)
000402651.b3lyp_6-31g(d).inp

000402651.b3lyp_6-31g(d).qchem.inp (generated)

000402651.b3lyp_6-31g(d).gjf (generated)

000402651.b3lyp_6-31g(d).firefly.inp (generated)

000402651.b3lyp_6-31g(d).smash.inp (generated)

000402651.b3lyp_6-31g(d).nwchem.inp (generated) 000402651.b3lyp_6-31g(d).log.xz 000402651.mol 000402651.PUBCHEM 000402651.mol (via Jmol)
000402659.b3lyp_6-31g(d).inp

000402659.b3lyp_6-31g(d).qchem.inp (generated)

000402659.b3lyp_6-31g(d).gjf (generated)

000402659.b3lyp_6-31g(d).firefly.inp (generated)

000402659.b3lyp_6-31g(d).smash.inp (generated)

000402659.b3lyp_6-31g(d).nwchem.inp (generated) 000402659.b3lyp_6-31g(d).log.xz 000402659.td-b3lyp_6-31g+(d).inp 000402659.td-b3lyp_6-31g+(d).log.xz

000402659.td-b3lyp_6-31+g(d).qchem.inp (generated)

000402659.td-b3lyp_6-31+g(d).gjf (generated)

000402659.td-b3lyp_6-31+g(d).firefly.inp (generated)

000402659.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000402659.mol 000402659.PUBCHEM 000402659.mol (via Jmol)
000402662.b3lyp_6-31g(d).inp

000402662.b3lyp_6-31g(d).qchem.inp (generated)

000402662.b3lyp_6-31g(d).gjf (generated)

000402662.b3lyp_6-31g(d).firefly.inp (generated)

000402662.b3lyp_6-31g(d).smash.inp (generated)

000402662.b3lyp_6-31g(d).nwchem.inp (generated) 000402662.b3lyp_6-31g(d).log.xz 000402662.td-b3lyp_6-31g+(d).inp 000402662.td-b3lyp_6-31g+(d).log.xz

000402662.td-b3lyp_6-31+g(d).qchem.inp (generated)

000402662.td-b3lyp_6-31+g(d).gjf (generated)

000402662.td-b3lyp_6-31+g(d).firefly.inp (generated)

000402662.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000402662.mol 000402662.PUBCHEM 000402662.mol (via Jmol)
000402668.b3lyp_6-31g(d).inp

000402668.b3lyp_6-31g(d).qchem.inp (generated)

000402668.b3lyp_6-31g(d).gjf (generated)

000402668.b3lyp_6-31g(d).firefly.inp (generated)

000402668.b3lyp_6-31g(d).smash.inp (generated)

000402668.b3lyp_6-31g(d).nwchem.inp (generated) 000402668.b3lyp_6-31g(d).log.xz 000402668.td-b3lyp_6-31g+(d).inp 000402668.td-b3lyp_6-31g+(d).log.xz

000402668.td-b3lyp_6-31+g(d).qchem.inp (generated)

000402668.td-b3lyp_6-31+g(d).gjf (generated)

000402668.td-b3lyp_6-31+g(d).firefly.inp (generated)

000402668.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000402668.mol 000402668.PUBCHEM 000402668.mol (via Jmol)
000402678.b3lyp_6-31g(d).inp

000402678.b3lyp_6-31g(d).qchem.inp (generated)

000402678.b3lyp_6-31g(d).gjf (generated)

000402678.b3lyp_6-31g(d).firefly.inp (generated)

000402678.b3lyp_6-31g(d).smash.inp (generated)

000402678.b3lyp_6-31g(d).nwchem.inp (generated) 000402678.b3lyp_6-31g(d).log.xz 000402678.td-b3lyp_6-31g+(d).inp 000402678.td-b3lyp_6-31g+(d).log.xz

000402678.td-b3lyp_6-31+g(d).qchem.inp (generated)

000402678.td-b3lyp_6-31+g(d).gjf (generated)

000402678.td-b3lyp_6-31+g(d).firefly.inp (generated)

000402678.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000402678.mol 000402678.PUBCHEM 000402678.mol (via Jmol)
000402681.b3lyp_6-31g(d).inp

000402681.b3lyp_6-31g(d).qchem.inp (generated)

000402681.b3lyp_6-31g(d).gjf (generated)

000402681.b3lyp_6-31g(d).firefly.inp (generated)

000402681.b3lyp_6-31g(d).smash.inp (generated)

000402681.b3lyp_6-31g(d).nwchem.inp (generated) 000402681.b3lyp_6-31g(d).log.xz 000402681.td-b3lyp_6-31g+(d).inp 000402681.td-b3lyp_6-31g+(d).log.xz

000402681.td-b3lyp_6-31+g(d).qchem.inp (generated)

000402681.td-b3lyp_6-31+g(d).gjf (generated)

000402681.td-b3lyp_6-31+g(d).firefly.inp (generated)

000402681.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000402681.mol 000402681.PUBCHEM 000402681.mol (via Jmol)
000402684.b3lyp_6-31g(d).inp

000402684.b3lyp_6-31g(d).qchem.inp (generated)

000402684.b3lyp_6-31g(d).gjf (generated)

000402684.b3lyp_6-31g(d).firefly.inp (generated)

000402684.b3lyp_6-31g(d).smash.inp (generated)

000402684.b3lyp_6-31g(d).nwchem.inp (generated) 000402684.b3lyp_6-31g(d).log.xz 000402684.td-b3lyp_6-31g+(d).inp 000402684.td-b3lyp_6-31g+(d).log.xz

000402684.td-b3lyp_6-31+g(d).qchem.inp (generated)

000402684.td-b3lyp_6-31+g(d).gjf (generated)

000402684.td-b3lyp_6-31+g(d).firefly.inp (generated)

000402684.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000402684.mol 000402684.PUBCHEM 000402684.mol (via Jmol)
000402687.b3lyp_6-31g(d).inp

000402687.b3lyp_6-31g(d).qchem.inp (generated)

000402687.b3lyp_6-31g(d).gjf (generated)

000402687.b3lyp_6-31g(d).firefly.inp (generated)

000402687.b3lyp_6-31g(d).smash.inp (generated)

000402687.b3lyp_6-31g(d).nwchem.inp (generated) 000402687.b3lyp_6-31g(d).log.xz 000402687.td-b3lyp_6-31g+(d).inp 000402687.td-b3lyp_6-31g+(d).log.xz

000402687.td-b3lyp_6-31+g(d).qchem.inp (generated)

000402687.td-b3lyp_6-31+g(d).gjf (generated)

000402687.td-b3lyp_6-31+g(d).firefly.inp (generated)

000402687.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000402687.mol 000402687.PUBCHEM 000402687.mol (via Jmol)
000402689.b3lyp_6-31g(d).inp

000402689.b3lyp_6-31g(d).qchem.inp (generated)

000402689.b3lyp_6-31g(d).gjf (generated)

000402689.b3lyp_6-31g(d).firefly.inp (generated)

000402689.b3lyp_6-31g(d).smash.inp (generated)

000402689.b3lyp_6-31g(d).nwchem.inp (generated) 000402689.b3lyp_6-31g(d).log.xz 000402689.td-b3lyp_6-31g+(d).inp 000402689.td-b3lyp_6-31g+(d).log.xz

000402689.td-b3lyp_6-31+g(d).qchem.inp (generated)

000402689.td-b3lyp_6-31+g(d).gjf (generated)

000402689.td-b3lyp_6-31+g(d).firefly.inp (generated)

000402689.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000402689.mol 000402689.PUBCHEM 000402689.mol (via Jmol)
000402810.b3lyp_6-31g(d).inp

000402810.b3lyp_6-31g(d).qchem.inp (generated)

000402810.b3lyp_6-31g(d).gjf (generated)

000402810.b3lyp_6-31g(d).firefly.inp (generated)

000402810.b3lyp_6-31g(d).smash.inp (generated)

000402810.b3lyp_6-31g(d).nwchem.inp (generated) 000402810.b3lyp_6-31g(d).log.xz 000402810.td-b3lyp_6-31g+(d).inp 000402810.td-b3lyp_6-31g+(d).log.xz

000402810.td-b3lyp_6-31+g(d).qchem.inp (generated)

000402810.td-b3lyp_6-31+g(d).gjf (generated)

000402810.td-b3lyp_6-31+g(d).firefly.inp (generated)

000402810.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000402810.mol 000402810.PUBCHEM 000402810.mol (via Jmol)
000402832.b3lyp_6-31g(d).inp

000402832.b3lyp_6-31g(d).qchem.inp (generated)

000402832.b3lyp_6-31g(d).gjf (generated)

000402832.b3lyp_6-31g(d).firefly.inp (generated)

000402832.b3lyp_6-31g(d).smash.inp (generated)

000402832.b3lyp_6-31g(d).nwchem.inp (generated) 000402832.b3lyp_6-31g(d).log.xz 000402832.td-b3lyp_6-31g+(d).inp 000402832.td-b3lyp_6-31g+(d).log.xz

000402832.td-b3lyp_6-31+g(d).qchem.inp (generated)

000402832.td-b3lyp_6-31+g(d).gjf (generated)

000402832.td-b3lyp_6-31+g(d).firefly.inp (generated)

000402832.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000402832.mol 000402832.PUBCHEM 000402832.mol (via Jmol)
000402849.b3lyp_6-31g(d).inp

000402849.b3lyp_6-31g(d).qchem.inp (generated)

000402849.b3lyp_6-31g(d).gjf (generated)

000402849.b3lyp_6-31g(d).firefly.inp (generated)

000402849.b3lyp_6-31g(d).smash.inp (generated)

000402849.b3lyp_6-31g(d).nwchem.inp (generated) 000402849.b3lyp_6-31g(d).log.xz 000402849.td-b3lyp_6-31g+(d).inp 000402849.td-b3lyp_6-31g+(d).log.xz

000402849.td-b3lyp_6-31+g(d).qchem.inp (generated)

000402849.td-b3lyp_6-31+g(d).gjf (generated)

000402849.td-b3lyp_6-31+g(d).firefly.inp (generated)

000402849.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000402849.mol 000402849.PUBCHEM 000402849.mol (via Jmol)
000402889.b3lyp_6-31g(d).inp

000402889.b3lyp_6-31g(d).qchem.inp (generated)

000402889.b3lyp_6-31g(d).gjf (generated)

000402889.b3lyp_6-31g(d).firefly.inp (generated)

000402889.b3lyp_6-31g(d).smash.inp (generated)

000402889.b3lyp_6-31g(d).nwchem.inp (generated) 000402889.b3lyp_6-31g(d).log.xz 000402889.td-b3lyp_6-31g+(d).inp 000402889.td-b3lyp_6-31g+(d).log.xz

000402889.td-b3lyp_6-31+g(d).qchem.inp (generated)

000402889.td-b3lyp_6-31+g(d).gjf (generated)

000402889.td-b3lyp_6-31+g(d).firefly.inp (generated)

000402889.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000402889.mol 000402889.PUBCHEM 000402889.mol (via Jmol)
000402890.b3lyp_6-31g(d).inp

000402890.b3lyp_6-31g(d).qchem.inp (generated)

000402890.b3lyp_6-31g(d).gjf (generated)

000402890.b3lyp_6-31g(d).firefly.inp (generated)

000402890.b3lyp_6-31g(d).smash.inp (generated)

000402890.b3lyp_6-31g(d).nwchem.inp (generated) 000402890.b3lyp_6-31g(d).log.xz 000402890.td-b3lyp_6-31g+(d).inp 000402890.td-b3lyp_6-31g+(d).log.xz

000402890.td-b3lyp_6-31+g(d).qchem.inp (generated)

000402890.td-b3lyp_6-31+g(d).gjf (generated)

000402890.td-b3lyp_6-31+g(d).firefly.inp (generated)

000402890.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000402890.mol 000402890.PUBCHEM 000402890.mol (via Jmol)
000402905.b3lyp_6-31g(d).inp

000402905.b3lyp_6-31g(d).qchem.inp (generated)

000402905.b3lyp_6-31g(d).gjf (generated)

000402905.b3lyp_6-31g(d).firefly.inp (generated)

000402905.b3lyp_6-31g(d).smash.inp (generated)

000402905.b3lyp_6-31g(d).nwchem.inp (generated) 000402905.b3lyp_6-31g(d).log.xz 000402905.td-b3lyp_6-31g+(d).inp 000402905.td-b3lyp_6-31g+(d).log.xz

000402905.td-b3lyp_6-31+g(d).qchem.inp (generated)

000402905.td-b3lyp_6-31+g(d).gjf (generated)

000402905.td-b3lyp_6-31+g(d).firefly.inp (generated)

000402905.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000402905.mol 000402905.PUBCHEM 000402905.mol (via Jmol)
000402907.b3lyp_6-31g(d).inp

000402907.b3lyp_6-31g(d).qchem.inp (generated)

000402907.b3lyp_6-31g(d).gjf (generated)

000402907.b3lyp_6-31g(d).firefly.inp (generated)

000402907.b3lyp_6-31g(d).smash.inp (generated)

000402907.b3lyp_6-31g(d).nwchem.inp (generated) 000402907.b3lyp_6-31g(d).log.xz 000402907.td-b3lyp_6-31g+(d).inp 000402907.td-b3lyp_6-31g+(d).log.xz

000402907.td-b3lyp_6-31+g(d).qchem.inp (generated)

000402907.td-b3lyp_6-31+g(d).gjf (generated)

000402907.td-b3lyp_6-31+g(d).firefly.inp (generated)

000402907.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000402907.mol 000402907.PUBCHEM 000402907.mol (via Jmol)
000402994.b3lyp_6-31g(d).inp

000402994.b3lyp_6-31g(d).qchem.inp (generated)

000402994.b3lyp_6-31g(d).gjf (generated)

000402994.b3lyp_6-31g(d).firefly.inp (generated)

000402994.b3lyp_6-31g(d).smash.inp (generated)

000402994.b3lyp_6-31g(d).nwchem.inp (generated) 000402994.b3lyp_6-31g(d).log.xz 000402994.td-b3lyp_6-31g+(d).inp 000402994.td-b3lyp_6-31g+(d).log.xz

000402994.td-b3lyp_6-31+g(d).qchem.inp (generated)

000402994.td-b3lyp_6-31+g(d).gjf (generated)

000402994.td-b3lyp_6-31+g(d).firefly.inp (generated)

000402994.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000402994.mol 000402994.PUBCHEM 000402994.mol (via Jmol)
000403053.b3lyp_6-31g(d).inp

000403053.b3lyp_6-31g(d).qchem.inp (generated)

000403053.b3lyp_6-31g(d).gjf (generated)

000403053.b3lyp_6-31g(d).firefly.inp (generated)

000403053.b3lyp_6-31g(d).smash.inp (generated)

000403053.b3lyp_6-31g(d).nwchem.inp (generated) 000403053.b3lyp_6-31g(d).log.xz 000403053.td-b3lyp_6-31g+(d).inp 000403053.td-b3lyp_6-31g+(d).log.xz

000403053.td-b3lyp_6-31+g(d).qchem.inp (generated)

000403053.td-b3lyp_6-31+g(d).gjf (generated)

000403053.td-b3lyp_6-31+g(d).firefly.inp (generated)

000403053.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000403053.mol 000403053.PUBCHEM 000403053.mol (via Jmol)
000403111.b3lyp_6-31g(d).inp

000403111.b3lyp_6-31g(d).qchem.inp (generated)

000403111.b3lyp_6-31g(d).gjf (generated)

000403111.b3lyp_6-31g(d).firefly.inp (generated)

000403111.b3lyp_6-31g(d).smash.inp (generated)

000403111.b3lyp_6-31g(d).nwchem.inp (generated) 000403111.b3lyp_6-31g(d).log.xz 000403111.td-b3lyp_6-31g+(d).inp 000403111.td-b3lyp_6-31g+(d).log.xz

000403111.td-b3lyp_6-31+g(d).qchem.inp (generated)

000403111.td-b3lyp_6-31+g(d).gjf (generated)

000403111.td-b3lyp_6-31+g(d).firefly.inp (generated)

000403111.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000403111.mol 000403111.PUBCHEM 000403111.mol (via Jmol)
000403128.b3lyp_6-31g(d).inp

000403128.b3lyp_6-31g(d).qchem.inp (generated)

000403128.b3lyp_6-31g(d).gjf (generated)

000403128.b3lyp_6-31g(d).firefly.inp (generated)

000403128.b3lyp_6-31g(d).smash.inp (generated)

000403128.b3lyp_6-31g(d).nwchem.inp (generated) 000403128.b3lyp_6-31g(d).log.xz 000403128.td-b3lyp_6-31g+(d).inp 000403128.td-b3lyp_6-31g+(d).log.xz

000403128.td-b3lyp_6-31+g(d).qchem.inp (generated)

000403128.td-b3lyp_6-31+g(d).gjf (generated)

000403128.td-b3lyp_6-31+g(d).firefly.inp (generated)

000403128.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000403128.mol 000403128.PUBCHEM 000403128.mol (via Jmol)
000403141.b3lyp_6-31g(d).inp

000403141.b3lyp_6-31g(d).qchem.inp (generated)

000403141.b3lyp_6-31g(d).gjf (generated)

000403141.b3lyp_6-31g(d).firefly.inp (generated)

000403141.b3lyp_6-31g(d).smash.inp (generated)

000403141.b3lyp_6-31g(d).nwchem.inp (generated) 000403141.b3lyp_6-31g(d).log.xz 000403141.td-b3lyp_6-31g+(d).inp 000403141.td-b3lyp_6-31g+(d).log.xz

000403141.td-b3lyp_6-31+g(d).qchem.inp (generated)

000403141.td-b3lyp_6-31+g(d).gjf (generated)

000403141.td-b3lyp_6-31+g(d).firefly.inp (generated)

000403141.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000403141.mol 000403141.PUBCHEM 000403141.mol (via Jmol)
000403142.b3lyp_6-31g(d).inp

000403142.b3lyp_6-31g(d).qchem.inp (generated)

000403142.b3lyp_6-31g(d).gjf (generated)

000403142.b3lyp_6-31g(d).firefly.inp (generated)

000403142.b3lyp_6-31g(d).smash.inp (generated)

000403142.b3lyp_6-31g(d).nwchem.inp (generated) 000403142.b3lyp_6-31g(d).log.xz 000403142.td-b3lyp_6-31g+(d).inp 000403142.td-b3lyp_6-31g+(d).log.xz

000403142.td-b3lyp_6-31+g(d).qchem.inp (generated)

000403142.td-b3lyp_6-31+g(d).gjf (generated)

000403142.td-b3lyp_6-31+g(d).firefly.inp (generated)

000403142.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000403142.mol 000403142.PUBCHEM 000403142.mol (via Jmol)
000403144.b3lyp_6-31g(d).inp

000403144.b3lyp_6-31g(d).qchem.inp (generated)

000403144.b3lyp_6-31g(d).gjf (generated)

000403144.b3lyp_6-31g(d).firefly.inp (generated)

000403144.b3lyp_6-31g(d).smash.inp (generated)

000403144.b3lyp_6-31g(d).nwchem.inp (generated) 000403144.b3lyp_6-31g(d).log.xz 000403144.td-b3lyp_6-31g+(d).inp 000403144.td-b3lyp_6-31g+(d).log.xz

000403144.td-b3lyp_6-31+g(d).qchem.inp (generated)

000403144.td-b3lyp_6-31+g(d).gjf (generated)

000403144.td-b3lyp_6-31+g(d).firefly.inp (generated)

000403144.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000403144.mol 000403144.PUBCHEM 000403144.mol (via Jmol)
000403145.b3lyp_6-31g(d).inp

000403145.b3lyp_6-31g(d).qchem.inp (generated)

000403145.b3lyp_6-31g(d).gjf (generated)

000403145.b3lyp_6-31g(d).firefly.inp (generated)

000403145.b3lyp_6-31g(d).smash.inp (generated)

000403145.b3lyp_6-31g(d).nwchem.inp (generated) 000403145.b3lyp_6-31g(d).log.xz 000403145.td-b3lyp_6-31g+(d).inp 000403145.td-b3lyp_6-31g+(d).log.xz

000403145.td-b3lyp_6-31+g(d).qchem.inp (generated)

000403145.td-b3lyp_6-31+g(d).gjf (generated)

000403145.td-b3lyp_6-31+g(d).firefly.inp (generated)

000403145.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000403145.mol 000403145.PUBCHEM 000403145.mol (via Jmol)
000403146.b3lyp_6-31g(d).inp

000403146.b3lyp_6-31g(d).qchem.inp (generated)

000403146.b3lyp_6-31g(d).gjf (generated)

000403146.b3lyp_6-31g(d).firefly.inp (generated)

000403146.b3lyp_6-31g(d).smash.inp (generated)

000403146.b3lyp_6-31g(d).nwchem.inp (generated) 000403146.b3lyp_6-31g(d).log.xz 000403146.td-b3lyp_6-31g+(d).inp 000403146.td-b3lyp_6-31g+(d).log.xz

000403146.td-b3lyp_6-31+g(d).qchem.inp (generated)

000403146.td-b3lyp_6-31+g(d).gjf (generated)

000403146.td-b3lyp_6-31+g(d).firefly.inp (generated)

000403146.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000403146.mol 000403146.PUBCHEM 000403146.mol (via Jmol)
000403147.b3lyp_6-31g(d).inp

000403147.b3lyp_6-31g(d).qchem.inp (generated)

000403147.b3lyp_6-31g(d).gjf (generated)

000403147.b3lyp_6-31g(d).firefly.inp (generated)

000403147.b3lyp_6-31g(d).smash.inp (generated)

000403147.b3lyp_6-31g(d).nwchem.inp (generated) 000403147.b3lyp_6-31g(d).log.xz 000403147.td-b3lyp_6-31g+(d).inp 000403147.td-b3lyp_6-31g+(d).log.xz

000403147.td-b3lyp_6-31+g(d).qchem.inp (generated)

000403147.td-b3lyp_6-31+g(d).gjf (generated)

000403147.td-b3lyp_6-31+g(d).firefly.inp (generated)

000403147.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000403147.mol 000403147.PUBCHEM 000403147.mol (via Jmol)
000403151.b3lyp_6-31g(d).inp

000403151.b3lyp_6-31g(d).qchem.inp (generated)

000403151.b3lyp_6-31g(d).gjf (generated)

000403151.b3lyp_6-31g(d).firefly.inp (generated)

000403151.b3lyp_6-31g(d).smash.inp (generated)

000403151.b3lyp_6-31g(d).nwchem.inp (generated) 000403151.b3lyp_6-31g(d).log.xz 000403151.td-b3lyp_6-31g+(d).inp 000403151.td-b3lyp_6-31g+(d).log.xz

000403151.td-b3lyp_6-31+g(d).qchem.inp (generated)

000403151.td-b3lyp_6-31+g(d).gjf (generated)

000403151.td-b3lyp_6-31+g(d).firefly.inp (generated)

000403151.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000403151.mol 000403151.PUBCHEM 000403151.mol (via Jmol)
000403152.b3lyp_6-31g(d).inp

000403152.b3lyp_6-31g(d).qchem.inp (generated)

000403152.b3lyp_6-31g(d).gjf (generated)

000403152.b3lyp_6-31g(d).firefly.inp (generated)

000403152.b3lyp_6-31g(d).smash.inp (generated)

000403152.b3lyp_6-31g(d).nwchem.inp (generated) 000403152.b3lyp_6-31g(d).log.xz 000403152.td-b3lyp_6-31g+(d).inp 000403152.td-b3lyp_6-31g+(d).log.xz

000403152.td-b3lyp_6-31+g(d).qchem.inp (generated)

000403152.td-b3lyp_6-31+g(d).gjf (generated)

000403152.td-b3lyp_6-31+g(d).firefly.inp (generated)

000403152.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000403152.mol 000403152.PUBCHEM 000403152.mol (via Jmol)
000403156.b3lyp_6-31g(d).inp

000403156.b3lyp_6-31g(d).qchem.inp (generated)

000403156.b3lyp_6-31g(d).gjf (generated)

000403156.b3lyp_6-31g(d).firefly.inp (generated)

000403156.b3lyp_6-31g(d).smash.inp (generated)

000403156.b3lyp_6-31g(d).nwchem.inp (generated) 000403156.b3lyp_6-31g(d).log.xz 000403156.td-b3lyp_6-31g+(d).inp 000403156.td-b3lyp_6-31g+(d).log.xz

000403156.td-b3lyp_6-31+g(d).qchem.inp (generated)

000403156.td-b3lyp_6-31+g(d).gjf (generated)

000403156.td-b3lyp_6-31+g(d).firefly.inp (generated)

000403156.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000403156.mol 000403156.PUBCHEM 000403156.mol (via Jmol)
000403157.b3lyp_6-31g(d).inp

000403157.b3lyp_6-31g(d).qchem.inp (generated)

000403157.b3lyp_6-31g(d).gjf (generated)

000403157.b3lyp_6-31g(d).firefly.inp (generated)

000403157.b3lyp_6-31g(d).smash.inp (generated)

000403157.b3lyp_6-31g(d).nwchem.inp (generated) 000403157.b3lyp_6-31g(d).log.xz 000403157.td-b3lyp_6-31g+(d).inp 000403157.td-b3lyp_6-31g+(d).log.xz

000403157.td-b3lyp_6-31+g(d).qchem.inp (generated)

000403157.td-b3lyp_6-31+g(d).gjf (generated)

000403157.td-b3lyp_6-31+g(d).firefly.inp (generated)

000403157.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000403157.mol 000403157.PUBCHEM 000403157.mol (via Jmol)
000403158.b3lyp_6-31g(d).inp

000403158.b3lyp_6-31g(d).qchem.inp (generated)

000403158.b3lyp_6-31g(d).gjf (generated)

000403158.b3lyp_6-31g(d).firefly.inp (generated)

000403158.b3lyp_6-31g(d).smash.inp (generated)

000403158.b3lyp_6-31g(d).nwchem.inp (generated) 000403158.b3lyp_6-31g(d).log.xz 000403158.td-b3lyp_6-31g+(d).inp 000403158.td-b3lyp_6-31g+(d).log.xz

000403158.td-b3lyp_6-31+g(d).qchem.inp (generated)

000403158.td-b3lyp_6-31+g(d).gjf (generated)

000403158.td-b3lyp_6-31+g(d).firefly.inp (generated)

000403158.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000403158.mol 000403158.PUBCHEM 000403158.mol (via Jmol)
000403159.b3lyp_6-31g(d).inp

000403159.b3lyp_6-31g(d).qchem.inp (generated)

000403159.b3lyp_6-31g(d).gjf (generated)

000403159.b3lyp_6-31g(d).firefly.inp (generated)

000403159.b3lyp_6-31g(d).smash.inp (generated)

000403159.b3lyp_6-31g(d).nwchem.inp (generated) 000403159.b3lyp_6-31g(d).log.xz 000403159.td-b3lyp_6-31g+(d).inp 000403159.td-b3lyp_6-31g+(d).log.xz

000403159.td-b3lyp_6-31+g(d).qchem.inp (generated)

000403159.td-b3lyp_6-31+g(d).gjf (generated)

000403159.td-b3lyp_6-31+g(d).firefly.inp (generated)

000403159.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000403159.mol 000403159.PUBCHEM 000403159.mol (via Jmol)
000403206.b3lyp_6-31g(d).inp

000403206.b3lyp_6-31g(d).qchem.inp (generated)

000403206.b3lyp_6-31g(d).gjf (generated)

000403206.b3lyp_6-31g(d).firefly.inp (generated)

000403206.b3lyp_6-31g(d).smash.inp (generated)

000403206.b3lyp_6-31g(d).nwchem.inp (generated) 000403206.b3lyp_6-31g(d).log.xz 000403206.td-b3lyp_6-31g+(d).inp 000403206.td-b3lyp_6-31g+(d).log.xz

000403206.td-b3lyp_6-31+g(d).qchem.inp (generated)

000403206.td-b3lyp_6-31+g(d).gjf (generated)

000403206.td-b3lyp_6-31+g(d).firefly.inp (generated)

000403206.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000403206.mol 000403206.PUBCHEM 000403206.mol (via Jmol)
000403212.b3lyp_6-31g(d).inp

000403212.b3lyp_6-31g(d).qchem.inp (generated)

000403212.b3lyp_6-31g(d).gjf (generated)

000403212.b3lyp_6-31g(d).firefly.inp (generated)

000403212.b3lyp_6-31g(d).smash.inp (generated)

000403212.b3lyp_6-31g(d).nwchem.inp (generated) 000403212.b3lyp_6-31g(d).log.xz 000403212.td-b3lyp_6-31g+(d).inp 000403212.td-b3lyp_6-31g+(d).log.xz

000403212.td-b3lyp_6-31+g(d).qchem.inp (generated)

000403212.td-b3lyp_6-31+g(d).gjf (generated)

000403212.td-b3lyp_6-31+g(d).firefly.inp (generated)

000403212.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000403212.mol 000403212.PUBCHEM 000403212.mol (via Jmol)
000403224.b3lyp_6-31g(d).inp

000403224.b3lyp_6-31g(d).qchem.inp (generated)

000403224.b3lyp_6-31g(d).gjf (generated)

000403224.b3lyp_6-31g(d).firefly.inp (generated)

000403224.b3lyp_6-31g(d).smash.inp (generated)

000403224.b3lyp_6-31g(d).nwchem.inp (generated) 000403224.b3lyp_6-31g(d).log.xz 000403224.td-b3lyp_6-31g+(d).inp 000403224.td-b3lyp_6-31g+(d).log.xz

000403224.td-b3lyp_6-31+g(d).qchem.inp (generated)

000403224.td-b3lyp_6-31+g(d).gjf (generated)

000403224.td-b3lyp_6-31+g(d).firefly.inp (generated)

000403224.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000403224.mol 000403224.PUBCHEM 000403224.mol (via Jmol)
000403227.b3lyp_6-31g(d).inp

000403227.b3lyp_6-31g(d).qchem.inp (generated)

000403227.b3lyp_6-31g(d).gjf (generated)

000403227.b3lyp_6-31g(d).firefly.inp (generated)

000403227.b3lyp_6-31g(d).smash.inp (generated)

000403227.b3lyp_6-31g(d).nwchem.inp (generated) 000403227.b3lyp_6-31g(d).log.xz 000403227.td-b3lyp_6-31g+(d).inp 000403227.td-b3lyp_6-31g+(d).log.xz

000403227.td-b3lyp_6-31+g(d).qchem.inp (generated)

000403227.td-b3lyp_6-31+g(d).gjf (generated)

000403227.td-b3lyp_6-31+g(d).firefly.inp (generated)

000403227.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000403227.mol 000403227.PUBCHEM 000403227.mol (via Jmol)
000403302.b3lyp_6-31g(d).inp

000403302.b3lyp_6-31g(d).qchem.inp (generated)

000403302.b3lyp_6-31g(d).gjf (generated)

000403302.b3lyp_6-31g(d).firefly.inp (generated)

000403302.b3lyp_6-31g(d).smash.inp (generated)

000403302.b3lyp_6-31g(d).nwchem.inp (generated) 000403302.b3lyp_6-31g(d).log.xz 000403302.td-b3lyp_6-31g+(d).inp 000403302.td-b3lyp_6-31g+(d).log.xz

000403302.td-b3lyp_6-31+g(d).qchem.inp (generated)

000403302.td-b3lyp_6-31+g(d).gjf (generated)

000403302.td-b3lyp_6-31+g(d).firefly.inp (generated)

000403302.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000403302.mol 000403302.PUBCHEM 000403302.mol (via Jmol)
000403303.b3lyp_6-31g(d).inp

000403303.b3lyp_6-31g(d).qchem.inp (generated)

000403303.b3lyp_6-31g(d).gjf (generated)

000403303.b3lyp_6-31g(d).firefly.inp (generated)

000403303.b3lyp_6-31g(d).smash.inp (generated)

000403303.b3lyp_6-31g(d).nwchem.inp (generated) 000403303.b3lyp_6-31g(d).log.xz 000403303.td-b3lyp_6-31g+(d).inp 000403303.td-b3lyp_6-31g+(d).log.xz

000403303.td-b3lyp_6-31+g(d).qchem.inp (generated)

000403303.td-b3lyp_6-31+g(d).gjf (generated)

000403303.td-b3lyp_6-31+g(d).firefly.inp (generated)

000403303.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000403303.mol 000403303.PUBCHEM 000403303.mol (via Jmol)
000403336.b3lyp_6-31g(d).inp

000403336.b3lyp_6-31g(d).qchem.inp (generated)

000403336.b3lyp_6-31g(d).gjf (generated)

000403336.b3lyp_6-31g(d).firefly.inp (generated)

000403336.b3lyp_6-31g(d).smash.inp (generated)

000403336.b3lyp_6-31g(d).nwchem.inp (generated) 000403336.b3lyp_6-31g(d).log.xz 000403336.td-b3lyp_6-31g+(d).inp 000403336.td-b3lyp_6-31g+(d).log.xz

000403336.td-b3lyp_6-31+g(d).qchem.inp (generated)

000403336.td-b3lyp_6-31+g(d).gjf (generated)

000403336.td-b3lyp_6-31+g(d).firefly.inp (generated)

000403336.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000403336.mol 000403336.PUBCHEM 000403336.mol (via Jmol)
000403394.b3lyp_6-31g(d).inp

000403394.b3lyp_6-31g(d).qchem.inp (generated)

000403394.b3lyp_6-31g(d).gjf (generated)

000403394.b3lyp_6-31g(d).firefly.inp (generated)

000403394.b3lyp_6-31g(d).smash.inp (generated)

000403394.b3lyp_6-31g(d).nwchem.inp (generated) 000403394.b3lyp_6-31g(d).log.xz 000403394.td-b3lyp_6-31g+(d).inp 000403394.td-b3lyp_6-31g+(d).log.xz

000403394.td-b3lyp_6-31+g(d).qchem.inp (generated)

000403394.td-b3lyp_6-31+g(d).gjf (generated)

000403394.td-b3lyp_6-31+g(d).firefly.inp (generated)

000403394.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000403394.mol 000403394.PUBCHEM 000403394.mol (via Jmol)
000403401.b3lyp_6-31g(d).inp

000403401.b3lyp_6-31g(d).qchem.inp (generated)

000403401.b3lyp_6-31g(d).gjf (generated)

000403401.b3lyp_6-31g(d).firefly.inp (generated)

000403401.b3lyp_6-31g(d).smash.inp (generated)

000403401.b3lyp_6-31g(d).nwchem.inp (generated) 000403401.b3lyp_6-31g(d).log.xz 000403401.td-b3lyp_6-31g+(d).inp 000403401.td-b3lyp_6-31g+(d).log.xz

000403401.td-b3lyp_6-31+g(d).qchem.inp (generated)

000403401.td-b3lyp_6-31+g(d).gjf (generated)

000403401.td-b3lyp_6-31+g(d).firefly.inp (generated)

000403401.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000403401.mol 000403401.PUBCHEM 000403401.mol (via Jmol)
000403403.b3lyp_6-31g(d).inp

000403403.b3lyp_6-31g(d).qchem.inp (generated)

000403403.b3lyp_6-31g(d).gjf (generated)

000403403.b3lyp_6-31g(d).firefly.inp (generated)

000403403.b3lyp_6-31g(d).smash.inp (generated)

000403403.b3lyp_6-31g(d).nwchem.inp (generated) 000403403.b3lyp_6-31g(d).log.xz 000403403.td-b3lyp_6-31g+(d).inp 000403403.td-b3lyp_6-31g+(d).log.xz

000403403.td-b3lyp_6-31+g(d).qchem.inp (generated)

000403403.td-b3lyp_6-31+g(d).gjf (generated)

000403403.td-b3lyp_6-31+g(d).firefly.inp (generated)

000403403.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000403403.mol 000403403.PUBCHEM 000403403.mol (via Jmol)
000403405.b3lyp_6-31g(d).inp

000403405.b3lyp_6-31g(d).qchem.inp (generated)

000403405.b3lyp_6-31g(d).gjf (generated)

000403405.b3lyp_6-31g(d).firefly.inp (generated)

000403405.b3lyp_6-31g(d).smash.inp (generated)

000403405.b3lyp_6-31g(d).nwchem.inp (generated) 000403405.b3lyp_6-31g(d).log.xz 000403405.td-b3lyp_6-31g+(d).inp 000403405.td-b3lyp_6-31g+(d).log.xz

000403405.td-b3lyp_6-31+g(d).qchem.inp (generated)

000403405.td-b3lyp_6-31+g(d).gjf (generated)

000403405.td-b3lyp_6-31+g(d).firefly.inp (generated)

000403405.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000403405.mol 000403405.PUBCHEM 000403405.mol (via Jmol)
000403407.b3lyp_6-31g(d).inp

000403407.b3lyp_6-31g(d).qchem.inp (generated)

000403407.b3lyp_6-31g(d).gjf (generated)

000403407.b3lyp_6-31g(d).firefly.inp (generated)

000403407.b3lyp_6-31g(d).smash.inp (generated)

000403407.b3lyp_6-31g(d).nwchem.inp (generated) 000403407.b3lyp_6-31g(d).log.xz 000403407.td-b3lyp_6-31g+(d).inp 000403407.td-b3lyp_6-31g+(d).log.xz

000403407.td-b3lyp_6-31+g(d).qchem.inp (generated)

000403407.td-b3lyp_6-31+g(d).gjf (generated)

000403407.td-b3lyp_6-31+g(d).firefly.inp (generated)

000403407.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000403407.mol 000403407.PUBCHEM 000403407.mol (via Jmol)
000403408.b3lyp_6-31g(d).inp

000403408.b3lyp_6-31g(d).qchem.inp (generated)

000403408.b3lyp_6-31g(d).gjf (generated)

000403408.b3lyp_6-31g(d).firefly.inp (generated)

000403408.b3lyp_6-31g(d).smash.inp (generated)

000403408.b3lyp_6-31g(d).nwchem.inp (generated) 000403408.b3lyp_6-31g(d).log.xz 000403408.td-b3lyp_6-31g+(d).inp 000403408.td-b3lyp_6-31g+(d).log.xz

000403408.td-b3lyp_6-31+g(d).qchem.inp (generated)

000403408.td-b3lyp_6-31+g(d).gjf (generated)

000403408.td-b3lyp_6-31+g(d).firefly.inp (generated)

000403408.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000403408.mol 000403408.PUBCHEM 000403408.mol (via Jmol)
000403413.b3lyp_6-31g(d).inp

000403413.b3lyp_6-31g(d).qchem.inp (generated)

000403413.b3lyp_6-31g(d).gjf (generated)

000403413.b3lyp_6-31g(d).firefly.inp (generated)

000403413.b3lyp_6-31g(d).smash.inp (generated)

000403413.b3lyp_6-31g(d).nwchem.inp (generated) 000403413.b3lyp_6-31g(d).log.xz 000403413.td-b3lyp_6-31g+(d).inp 000403413.td-b3lyp_6-31g+(d).log.xz

000403413.td-b3lyp_6-31+g(d).qchem.inp (generated)

000403413.td-b3lyp_6-31+g(d).gjf (generated)

000403413.td-b3lyp_6-31+g(d).firefly.inp (generated)

000403413.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000403413.mol 000403413.PUBCHEM 000403413.mol (via Jmol)
000403414.b3lyp_6-31g(d).inp

000403414.b3lyp_6-31g(d).qchem.inp (generated)

000403414.b3lyp_6-31g(d).gjf (generated)

000403414.b3lyp_6-31g(d).firefly.inp (generated)

000403414.b3lyp_6-31g(d).smash.inp (generated)

000403414.b3lyp_6-31g(d).nwchem.inp (generated) 000403414.b3lyp_6-31g(d).log.xz 000403414.td-b3lyp_6-31g+(d).inp 000403414.td-b3lyp_6-31g+(d).log.xz

000403414.td-b3lyp_6-31+g(d).qchem.inp (generated)

000403414.td-b3lyp_6-31+g(d).gjf (generated)

000403414.td-b3lyp_6-31+g(d).firefly.inp (generated)

000403414.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000403414.mol 000403414.PUBCHEM 000403414.mol (via Jmol)
000403415.b3lyp_6-31g(d).inp

000403415.b3lyp_6-31g(d).qchem.inp (generated)

000403415.b3lyp_6-31g(d).gjf (generated)

000403415.b3lyp_6-31g(d).firefly.inp (generated)

000403415.b3lyp_6-31g(d).smash.inp (generated)

000403415.b3lyp_6-31g(d).nwchem.inp (generated) 000403415.b3lyp_6-31g(d).log.xz 000403415.td-b3lyp_6-31g+(d).inp 000403415.td-b3lyp_6-31g+(d).log.xz

000403415.td-b3lyp_6-31+g(d).qchem.inp (generated)

000403415.td-b3lyp_6-31+g(d).gjf (generated)

000403415.td-b3lyp_6-31+g(d).firefly.inp (generated)

000403415.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000403415.mol 000403415.PUBCHEM 000403415.mol (via Jmol)
000403416.b3lyp_6-31g(d).inp

000403416.b3lyp_6-31g(d).qchem.inp (generated)

000403416.b3lyp_6-31g(d).gjf (generated)

000403416.b3lyp_6-31g(d).firefly.inp (generated)

000403416.b3lyp_6-31g(d).smash.inp (generated)

000403416.b3lyp_6-31g(d).nwchem.inp (generated) 000403416.b3lyp_6-31g(d).log.xz 000403416.td-b3lyp_6-31g+(d).inp 000403416.td-b3lyp_6-31g+(d).log.xz

000403416.td-b3lyp_6-31+g(d).qchem.inp (generated)

000403416.td-b3lyp_6-31+g(d).gjf (generated)

000403416.td-b3lyp_6-31+g(d).firefly.inp (generated)

000403416.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000403416.mol 000403416.PUBCHEM 000403416.mol (via Jmol)
000403417.b3lyp_6-31g(d).inp

000403417.b3lyp_6-31g(d).qchem.inp (generated)

000403417.b3lyp_6-31g(d).gjf (generated)

000403417.b3lyp_6-31g(d).firefly.inp (generated)

000403417.b3lyp_6-31g(d).smash.inp (generated)

000403417.b3lyp_6-31g(d).nwchem.inp (generated) 000403417.b3lyp_6-31g(d).log.xz 000403417.td-b3lyp_6-31g+(d).inp 000403417.td-b3lyp_6-31g+(d).log.xz

000403417.td-b3lyp_6-31+g(d).qchem.inp (generated)

000403417.td-b3lyp_6-31+g(d).gjf (generated)

000403417.td-b3lyp_6-31+g(d).firefly.inp (generated)

000403417.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000403417.mol 000403417.PUBCHEM 000403417.mol (via Jmol)
000403418.b3lyp_6-31g(d).inp

000403418.b3lyp_6-31g(d).qchem.inp (generated)

000403418.b3lyp_6-31g(d).gjf (generated)

000403418.b3lyp_6-31g(d).firefly.inp (generated)

000403418.b3lyp_6-31g(d).smash.inp (generated)

000403418.b3lyp_6-31g(d).nwchem.inp (generated) 000403418.b3lyp_6-31g(d).log.xz 000403418.td-b3lyp_6-31g+(d).inp 000403418.td-b3lyp_6-31g+(d).log.xz

000403418.td-b3lyp_6-31+g(d).qchem.inp (generated)

000403418.td-b3lyp_6-31+g(d).gjf (generated)

000403418.td-b3lyp_6-31+g(d).firefly.inp (generated)

000403418.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000403418.mol 000403418.PUBCHEM 000403418.mol (via Jmol)
000403419.b3lyp_6-31g(d).inp

000403419.b3lyp_6-31g(d).qchem.inp (generated)

000403419.b3lyp_6-31g(d).gjf (generated)

000403419.b3lyp_6-31g(d).firefly.inp (generated)

000403419.b3lyp_6-31g(d).smash.inp (generated)

000403419.b3lyp_6-31g(d).nwchem.inp (generated) 000403419.b3lyp_6-31g(d).log.xz 000403419.td-b3lyp_6-31g+(d).inp 000403419.td-b3lyp_6-31g+(d).log.xz

000403419.td-b3lyp_6-31+g(d).qchem.inp (generated)

000403419.td-b3lyp_6-31+g(d).gjf (generated)

000403419.td-b3lyp_6-31+g(d).firefly.inp (generated)

000403419.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000403419.mol 000403419.PUBCHEM 000403419.mol (via Jmol)
000403420.b3lyp_6-31g(d).inp

000403420.b3lyp_6-31g(d).qchem.inp (generated)

000403420.b3lyp_6-31g(d).gjf (generated)

000403420.b3lyp_6-31g(d).firefly.inp (generated)

000403420.b3lyp_6-31g(d).smash.inp (generated)

000403420.b3lyp_6-31g(d).nwchem.inp (generated) 000403420.b3lyp_6-31g(d).log.xz 000403420.td-b3lyp_6-31g+(d).inp 000403420.td-b3lyp_6-31g+(d).log.xz

000403420.td-b3lyp_6-31+g(d).qchem.inp (generated)

000403420.td-b3lyp_6-31+g(d).gjf (generated)

000403420.td-b3lyp_6-31+g(d).firefly.inp (generated)

000403420.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000403420.mol 000403420.PUBCHEM 000403420.mol (via Jmol)
000403425.b3lyp_6-31g(d).inp

000403425.b3lyp_6-31g(d).qchem.inp (generated)

000403425.b3lyp_6-31g(d).gjf (generated)

000403425.b3lyp_6-31g(d).firefly.inp (generated)

000403425.b3lyp_6-31g(d).smash.inp (generated)

000403425.b3lyp_6-31g(d).nwchem.inp (generated) 000403425.b3lyp_6-31g(d).log.xz 000403425.td-b3lyp_6-31g+(d).inp 000403425.td-b3lyp_6-31g+(d).log.xz

000403425.td-b3lyp_6-31+g(d).qchem.inp (generated)

000403425.td-b3lyp_6-31+g(d).gjf (generated)

000403425.td-b3lyp_6-31+g(d).firefly.inp (generated)

000403425.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000403425.mol 000403425.PUBCHEM 000403425.mol (via Jmol)
000403429.b3lyp_6-31g(d).inp

000403429.b3lyp_6-31g(d).qchem.inp (generated)

000403429.b3lyp_6-31g(d).gjf (generated)

000403429.b3lyp_6-31g(d).firefly.inp (generated)

000403429.b3lyp_6-31g(d).smash.inp (generated)

000403429.b3lyp_6-31g(d).nwchem.inp (generated) 000403429.b3lyp_6-31g(d).log.xz 000403429.td-b3lyp_6-31g+(d).inp 000403429.td-b3lyp_6-31g+(d).log.xz

000403429.td-b3lyp_6-31+g(d).qchem.inp (generated)

000403429.td-b3lyp_6-31+g(d).gjf (generated)

000403429.td-b3lyp_6-31+g(d).firefly.inp (generated)

000403429.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000403429.mol 000403429.PUBCHEM 000403429.mol (via Jmol)
000403439.b3lyp_6-31g(d).inp

000403439.b3lyp_6-31g(d).qchem.inp (generated)

000403439.b3lyp_6-31g(d).gjf (generated)

000403439.b3lyp_6-31g(d).firefly.inp (generated)

000403439.b3lyp_6-31g(d).smash.inp (generated)

000403439.b3lyp_6-31g(d).nwchem.inp (generated) 000403439.b3lyp_6-31g(d).log.xz 000403439.td-b3lyp_6-31g+(d).inp 000403439.td-b3lyp_6-31g+(d).log.xz

000403439.td-b3lyp_6-31+g(d).qchem.inp (generated)

000403439.td-b3lyp_6-31+g(d).gjf (generated)

000403439.td-b3lyp_6-31+g(d).firefly.inp (generated)

000403439.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000403439.mol 000403439.PUBCHEM 000403439.mol (via Jmol)
000403525.b3lyp_6-31g(d).inp

000403525.b3lyp_6-31g(d).qchem.inp (generated)

000403525.b3lyp_6-31g(d).gjf (generated)

000403525.b3lyp_6-31g(d).firefly.inp (generated)

000403525.b3lyp_6-31g(d).smash.inp (generated)

000403525.b3lyp_6-31g(d).nwchem.inp (generated) 000403525.b3lyp_6-31g(d).log.xz 000403525.td-b3lyp_6-31g+(d).inp 000403525.td-b3lyp_6-31g+(d).log.xz

000403525.td-b3lyp_6-31+g(d).qchem.inp (generated)

000403525.td-b3lyp_6-31+g(d).gjf (generated)

000403525.td-b3lyp_6-31+g(d).firefly.inp (generated)

000403525.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000403525.mol 000403525.PUBCHEM 000403525.mol (via Jmol)
000403546.b3lyp_6-31g(d).inp

000403546.b3lyp_6-31g(d).qchem.inp (generated)

000403546.b3lyp_6-31g(d).gjf (generated)

000403546.b3lyp_6-31g(d).firefly.inp (generated)

000403546.b3lyp_6-31g(d).smash.inp (generated)

000403546.b3lyp_6-31g(d).nwchem.inp (generated) 000403546.b3lyp_6-31g(d).log.xz 000403546.td-b3lyp_6-31g+(d).inp 000403546.td-b3lyp_6-31g+(d).log.xz

000403546.td-b3lyp_6-31+g(d).qchem.inp (generated)

000403546.td-b3lyp_6-31+g(d).gjf (generated)

000403546.td-b3lyp_6-31+g(d).firefly.inp (generated)

000403546.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000403546.mol 000403546.PUBCHEM 000403546.mol (via Jmol)
000403552.b3lyp_6-31g(d).inp

000403552.b3lyp_6-31g(d).qchem.inp (generated)

000403552.b3lyp_6-31g(d).gjf (generated)

000403552.b3lyp_6-31g(d).firefly.inp (generated)

000403552.b3lyp_6-31g(d).smash.inp (generated)

000403552.b3lyp_6-31g(d).nwchem.inp (generated) 000403552.b3lyp_6-31g(d).log.xz 000403552.td-b3lyp_6-31g+(d).inp 000403552.td-b3lyp_6-31g+(d).log.xz

000403552.td-b3lyp_6-31+g(d).qchem.inp (generated)

000403552.td-b3lyp_6-31+g(d).gjf (generated)

000403552.td-b3lyp_6-31+g(d).firefly.inp (generated)

000403552.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000403552.mol 000403552.PUBCHEM 000403552.mol (via Jmol)
000403553.b3lyp_6-31g(d).inp

000403553.b3lyp_6-31g(d).qchem.inp (generated)

000403553.b3lyp_6-31g(d).gjf (generated)

000403553.b3lyp_6-31g(d).firefly.inp (generated)

000403553.b3lyp_6-31g(d).smash.inp (generated)

000403553.b3lyp_6-31g(d).nwchem.inp (generated) 000403553.b3lyp_6-31g(d).log.xz 000403553.td-b3lyp_6-31g+(d).inp 000403553.td-b3lyp_6-31g+(d).log.xz

000403553.td-b3lyp_6-31+g(d).qchem.inp (generated)

000403553.td-b3lyp_6-31+g(d).gjf (generated)

000403553.td-b3lyp_6-31+g(d).firefly.inp (generated)

000403553.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000403553.mol 000403553.PUBCHEM 000403553.mol (via Jmol)
000403556.b3lyp_6-31g(d).inp

000403556.b3lyp_6-31g(d).qchem.inp (generated)

000403556.b3lyp_6-31g(d).gjf (generated)

000403556.b3lyp_6-31g(d).firefly.inp (generated)

000403556.b3lyp_6-31g(d).smash.inp (generated)

000403556.b3lyp_6-31g(d).nwchem.inp (generated) 000403556.b3lyp_6-31g(d).log.xz 000403556.td-b3lyp_6-31g+(d).inp 000403556.td-b3lyp_6-31g+(d).log.xz

000403556.td-b3lyp_6-31+g(d).qchem.inp (generated)

000403556.td-b3lyp_6-31+g(d).gjf (generated)

000403556.td-b3lyp_6-31+g(d).firefly.inp (generated)

000403556.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000403556.mol 000403556.PUBCHEM 000403556.mol (via Jmol)
000403562.b3lyp_6-31g(d).inp

000403562.b3lyp_6-31g(d).qchem.inp (generated)

000403562.b3lyp_6-31g(d).gjf (generated)

000403562.b3lyp_6-31g(d).firefly.inp (generated)

000403562.b3lyp_6-31g(d).smash.inp (generated)

000403562.b3lyp_6-31g(d).nwchem.inp (generated) 000403562.b3lyp_6-31g(d).log.xz 000403562.td-b3lyp_6-31g+(d).inp 000403562.td-b3lyp_6-31g+(d).log.xz

000403562.td-b3lyp_6-31+g(d).qchem.inp (generated)

000403562.td-b3lyp_6-31+g(d).gjf (generated)

000403562.td-b3lyp_6-31+g(d).firefly.inp (generated)

000403562.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000403562.mol 000403562.PUBCHEM 000403562.mol (via Jmol)
000403666.b3lyp_6-31g(d).inp

000403666.b3lyp_6-31g(d).qchem.inp (generated)

000403666.b3lyp_6-31g(d).gjf (generated)

000403666.b3lyp_6-31g(d).firefly.inp (generated)

000403666.b3lyp_6-31g(d).smash.inp (generated)

000403666.b3lyp_6-31g(d).nwchem.inp (generated) 000403666.b3lyp_6-31g(d).log.xz 000403666.td-b3lyp_6-31g+(d).inp 000403666.td-b3lyp_6-31g+(d).log.xz

000403666.td-b3lyp_6-31+g(d).qchem.inp (generated)

000403666.td-b3lyp_6-31+g(d).gjf (generated)

000403666.td-b3lyp_6-31+g(d).firefly.inp (generated)

000403666.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000403666.mol 000403666.PUBCHEM 000403666.mol (via Jmol)
000403788.b3lyp_6-31g(d).inp

000403788.b3lyp_6-31g(d).qchem.inp (generated)

000403788.b3lyp_6-31g(d).gjf (generated)

000403788.b3lyp_6-31g(d).firefly.inp (generated)

000403788.b3lyp_6-31g(d).smash.inp (generated)

000403788.b3lyp_6-31g(d).nwchem.inp (generated) 000403788.b3lyp_6-31g(d).log.xz 000403788.td-b3lyp_6-31g+(d).inp 000403788.td-b3lyp_6-31g+(d).log.xz

000403788.td-b3lyp_6-31+g(d).qchem.inp (generated)

000403788.td-b3lyp_6-31+g(d).gjf (generated)

000403788.td-b3lyp_6-31+g(d).firefly.inp (generated)

000403788.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000403788.mol 000403788.PUBCHEM 000403788.mol (via Jmol)
000403866.b3lyp_6-31g(d).inp

000403866.b3lyp_6-31g(d).qchem.inp (generated)

000403866.b3lyp_6-31g(d).gjf (generated)

000403866.b3lyp_6-31g(d).firefly.inp (generated)

000403866.b3lyp_6-31g(d).smash.inp (generated)

000403866.b3lyp_6-31g(d).nwchem.inp (generated) 000403866.b3lyp_6-31g(d).log.xz 000403866.td-b3lyp_6-31g+(d).inp 000403866.td-b3lyp_6-31g+(d).log.xz

000403866.td-b3lyp_6-31+g(d).qchem.inp (generated)

000403866.td-b3lyp_6-31+g(d).gjf (generated)

000403866.td-b3lyp_6-31+g(d).firefly.inp (generated)

000403866.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000403866.mol 000403866.PUBCHEM 000403866.mol (via Jmol)
000403911.b3lyp_6-31g(d).inp

000403911.b3lyp_6-31g(d).qchem.inp (generated)

000403911.b3lyp_6-31g(d).gjf (generated)

000403911.b3lyp_6-31g(d).firefly.inp (generated)

000403911.b3lyp_6-31g(d).smash.inp (generated)

000403911.b3lyp_6-31g(d).nwchem.inp (generated) 000403911.b3lyp_6-31g(d).log.xz 000403911.td-b3lyp_6-31g+(d).inp 000403911.td-b3lyp_6-31g+(d).log.xz

000403911.td-b3lyp_6-31+g(d).qchem.inp (generated)

000403911.td-b3lyp_6-31+g(d).gjf (generated)

000403911.td-b3lyp_6-31+g(d).firefly.inp (generated)

000403911.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000403911.mol 000403911.PUBCHEM 000403911.mol (via Jmol)
000403914.b3lyp_6-31g(d).inp

000403914.b3lyp_6-31g(d).qchem.inp (generated)

000403914.b3lyp_6-31g(d).gjf (generated)

000403914.b3lyp_6-31g(d).firefly.inp (generated)

000403914.b3lyp_6-31g(d).smash.inp (generated)

000403914.b3lyp_6-31g(d).nwchem.inp (generated) 000403914.b3lyp_6-31g(d).log.xz 000403914.td-b3lyp_6-31g+(d).inp 000403914.td-b3lyp_6-31g+(d).log.xz

000403914.td-b3lyp_6-31+g(d).qchem.inp (generated)

000403914.td-b3lyp_6-31+g(d).gjf (generated)

000403914.td-b3lyp_6-31+g(d).firefly.inp (generated)

000403914.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000403914.mol 000403914.PUBCHEM 000403914.mol (via Jmol)
000403919.b3lyp_6-31g(d).inp

000403919.b3lyp_6-31g(d).qchem.inp (generated)

000403919.b3lyp_6-31g(d).gjf (generated)

000403919.b3lyp_6-31g(d).firefly.inp (generated)

000403919.b3lyp_6-31g(d).smash.inp (generated)

000403919.b3lyp_6-31g(d).nwchem.inp (generated) 000403919.b3lyp_6-31g(d).log.xz 000403919.td-b3lyp_6-31g+(d).inp 000403919.td-b3lyp_6-31g+(d).log.xz

000403919.td-b3lyp_6-31+g(d).qchem.inp (generated)

000403919.td-b3lyp_6-31+g(d).gjf (generated)

000403919.td-b3lyp_6-31+g(d).firefly.inp (generated)

000403919.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000403919.mol 000403919.PUBCHEM 000403919.mol (via Jmol)
000403978.b3lyp_6-31g(d).inp

000403978.b3lyp_6-31g(d).qchem.inp (generated)

000403978.b3lyp_6-31g(d).gjf (generated)

000403978.b3lyp_6-31g(d).firefly.inp (generated)

000403978.b3lyp_6-31g(d).smash.inp (generated)

000403978.b3lyp_6-31g(d).nwchem.inp (generated) 000403978.b3lyp_6-31g(d).log.xz 000403978.td-b3lyp_6-31g+(d).inp 000403978.td-b3lyp_6-31g+(d).log.xz

000403978.td-b3lyp_6-31+g(d).qchem.inp (generated)

000403978.td-b3lyp_6-31+g(d).gjf (generated)

000403978.td-b3lyp_6-31+g(d).firefly.inp (generated)

000403978.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000403978.mol 000403978.PUBCHEM 000403978.mol (via Jmol)
000403980.b3lyp_6-31g(d).inp

000403980.b3lyp_6-31g(d).qchem.inp (generated)

000403980.b3lyp_6-31g(d).gjf (generated)

000403980.b3lyp_6-31g(d).firefly.inp (generated)

000403980.b3lyp_6-31g(d).smash.inp (generated)

000403980.b3lyp_6-31g(d).nwchem.inp (generated) 000403980.b3lyp_6-31g(d).log.xz 000403980.td-b3lyp_6-31g+(d).inp 000403980.td-b3lyp_6-31g+(d).log.xz

000403980.td-b3lyp_6-31+g(d).qchem.inp (generated)

000403980.td-b3lyp_6-31+g(d).gjf (generated)

000403980.td-b3lyp_6-31+g(d).firefly.inp (generated)

000403980.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000403980.mol 000403980.PUBCHEM 000403980.mol (via Jmol)
000403995.b3lyp_6-31g(d).inp

000403995.b3lyp_6-31g(d).qchem.inp (generated)

000403995.b3lyp_6-31g(d).gjf (generated)

000403995.b3lyp_6-31g(d).firefly.inp (generated)

000403995.b3lyp_6-31g(d).smash.inp (generated)

000403995.b3lyp_6-31g(d).nwchem.inp (generated) 000403995.b3lyp_6-31g(d).log.xz 000403995.td-b3lyp_6-31g+(d).inp 000403995.td-b3lyp_6-31g+(d).log.xz

000403995.td-b3lyp_6-31+g(d).qchem.inp (generated)

000403995.td-b3lyp_6-31+g(d).gjf (generated)

000403995.td-b3lyp_6-31+g(d).firefly.inp (generated)

000403995.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000403995.mol 000403995.PUBCHEM 000403995.mol (via Jmol)
000404051.b3lyp_6-31g(d).inp

000404051.b3lyp_6-31g(d).qchem.inp (generated)

000404051.b3lyp_6-31g(d).gjf (generated)

000404051.b3lyp_6-31g(d).firefly.inp (generated)

000404051.b3lyp_6-31g(d).smash.inp (generated)

000404051.b3lyp_6-31g(d).nwchem.inp (generated) 000404051.b3lyp_6-31g(d).log.xz 000404051.td-b3lyp_6-31g+(d).inp 000404051.td-b3lyp_6-31g+(d).log.xz

000404051.td-b3lyp_6-31+g(d).qchem.inp (generated)

000404051.td-b3lyp_6-31+g(d).gjf (generated)

000404051.td-b3lyp_6-31+g(d).firefly.inp (generated)

000404051.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000404051.mol 000404051.PUBCHEM 000404051.mol (via Jmol)
000404068.b3lyp_6-31g(d).inp

000404068.b3lyp_6-31g(d).qchem.inp (generated)

000404068.b3lyp_6-31g(d).gjf (generated)

000404068.b3lyp_6-31g(d).firefly.inp (generated)

000404068.b3lyp_6-31g(d).smash.inp (generated)

000404068.b3lyp_6-31g(d).nwchem.inp (generated) 000404068.b3lyp_6-31g(d).log.xz 000404068.td-b3lyp_6-31g+(d).inp 000404068.td-b3lyp_6-31g+(d).log.xz

000404068.td-b3lyp_6-31+g(d).qchem.inp (generated)

000404068.td-b3lyp_6-31+g(d).gjf (generated)

000404068.td-b3lyp_6-31+g(d).firefly.inp (generated)

000404068.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000404068.mol 000404068.PUBCHEM 000404068.mol (via Jmol)
000404092.b3lyp_6-31g(d).inp

000404092.b3lyp_6-31g(d).qchem.inp (generated)

000404092.b3lyp_6-31g(d).gjf (generated)

000404092.b3lyp_6-31g(d).firefly.inp (generated)

000404092.b3lyp_6-31g(d).smash.inp (generated)

000404092.b3lyp_6-31g(d).nwchem.inp (generated) 000404092.b3lyp_6-31g(d).log.xz 000404092.td-b3lyp_6-31g+(d).inp 000404092.td-b3lyp_6-31g+(d).log.xz

000404092.td-b3lyp_6-31+g(d).qchem.inp (generated)

000404092.td-b3lyp_6-31+g(d).gjf (generated)

000404092.td-b3lyp_6-31+g(d).firefly.inp (generated)

000404092.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000404092.mol 000404092.PUBCHEM 000404092.mol (via Jmol)
000404096.b3lyp_6-31g(d).inp

000404096.b3lyp_6-31g(d).qchem.inp (generated)

000404096.b3lyp_6-31g(d).gjf (generated)

000404096.b3lyp_6-31g(d).firefly.inp (generated)

000404096.b3lyp_6-31g(d).smash.inp (generated)

000404096.b3lyp_6-31g(d).nwchem.inp (generated) 000404096.b3lyp_6-31g(d).log.xz 000404096.td-b3lyp_6-31g+(d).inp 000404096.td-b3lyp_6-31g+(d).log.xz

000404096.td-b3lyp_6-31+g(d).qchem.inp (generated)

000404096.td-b3lyp_6-31+g(d).gjf (generated)

000404096.td-b3lyp_6-31+g(d).firefly.inp (generated)

000404096.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000404096.mol 000404096.PUBCHEM 000404096.mol (via Jmol)
000404237.b3lyp_6-31g(d).inp

000404237.b3lyp_6-31g(d).qchem.inp (generated)

000404237.b3lyp_6-31g(d).gjf (generated)

000404237.b3lyp_6-31g(d).firefly.inp (generated)

000404237.b3lyp_6-31g(d).smash.inp (generated)

000404237.b3lyp_6-31g(d).nwchem.inp (generated) 000404237.b3lyp_6-31g(d).log.xz 000404237.td-b3lyp_6-31g+(d).inp 000404237.td-b3lyp_6-31g+(d).log.xz

000404237.td-b3lyp_6-31+g(d).qchem.inp (generated)

000404237.td-b3lyp_6-31+g(d).gjf (generated)

000404237.td-b3lyp_6-31+g(d).firefly.inp (generated)

000404237.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000404237.mol 000404237.PUBCHEM 000404237.mol (via Jmol)
000404241.b3lyp_6-31g(d).inp

000404241.b3lyp_6-31g(d).qchem.inp (generated)

000404241.b3lyp_6-31g(d).gjf (generated)

000404241.b3lyp_6-31g(d).firefly.inp (generated)

000404241.b3lyp_6-31g(d).smash.inp (generated)

000404241.b3lyp_6-31g(d).nwchem.inp (generated) 000404241.b3lyp_6-31g(d).log.xz 000404241.td-b3lyp_6-31g+(d).inp 000404241.td-b3lyp_6-31g+(d).log.xz

000404241.td-b3lyp_6-31+g(d).qchem.inp (generated)

000404241.td-b3lyp_6-31+g(d).gjf (generated)

000404241.td-b3lyp_6-31+g(d).firefly.inp (generated)

000404241.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000404241.mol 000404241.PUBCHEM 000404241.mol (via Jmol)
000404281.b3lyp_6-31g(d).inp

000404281.b3lyp_6-31g(d).qchem.inp (generated)

000404281.b3lyp_6-31g(d).gjf (generated)

000404281.b3lyp_6-31g(d).firefly.inp (generated)

000404281.b3lyp_6-31g(d).smash.inp (generated)

000404281.b3lyp_6-31g(d).nwchem.inp (generated) 000404281.b3lyp_6-31g(d).log.xz 000404281.td-b3lyp_6-31g+(d).inp 000404281.td-b3lyp_6-31g+(d).log.xz

000404281.td-b3lyp_6-31+g(d).qchem.inp (generated)

000404281.td-b3lyp_6-31+g(d).gjf (generated)

000404281.td-b3lyp_6-31+g(d).firefly.inp (generated)

000404281.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000404281.mol 000404281.PUBCHEM 000404281.mol (via Jmol)
000404282.b3lyp_6-31g(d).inp

000404282.b3lyp_6-31g(d).qchem.inp (generated)

000404282.b3lyp_6-31g(d).gjf (generated)

000404282.b3lyp_6-31g(d).firefly.inp (generated)

000404282.b3lyp_6-31g(d).smash.inp (generated)

000404282.b3lyp_6-31g(d).nwchem.inp (generated) 000404282.b3lyp_6-31g(d).log.xz 000404282.td-b3lyp_6-31g+(d).inp 000404282.td-b3lyp_6-31g+(d).log.xz

000404282.td-b3lyp_6-31+g(d).qchem.inp (generated)

000404282.td-b3lyp_6-31+g(d).gjf (generated)

000404282.td-b3lyp_6-31+g(d).firefly.inp (generated)

000404282.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000404282.mol 000404282.PUBCHEM 000404282.mol (via Jmol)
000404291.b3lyp_6-31g(d).inp

000404291.b3lyp_6-31g(d).qchem.inp (generated)

000404291.b3lyp_6-31g(d).gjf (generated)

000404291.b3lyp_6-31g(d).firefly.inp (generated)

000404291.b3lyp_6-31g(d).smash.inp (generated)

000404291.b3lyp_6-31g(d).nwchem.inp (generated) 000404291.b3lyp_6-31g(d).log.xz 000404291.td-b3lyp_6-31g+(d).inp 000404291.td-b3lyp_6-31g+(d).log.xz

000404291.td-b3lyp_6-31+g(d).qchem.inp (generated)

000404291.td-b3lyp_6-31+g(d).gjf (generated)

000404291.td-b3lyp_6-31+g(d).firefly.inp (generated)

000404291.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000404291.mol 000404291.PUBCHEM 000404291.mol (via Jmol)
000404298.b3lyp_6-31g(d).inp

000404298.b3lyp_6-31g(d).qchem.inp (generated)

000404298.b3lyp_6-31g(d).gjf (generated)

000404298.b3lyp_6-31g(d).firefly.inp (generated)

000404298.b3lyp_6-31g(d).smash.inp (generated)

000404298.b3lyp_6-31g(d).nwchem.inp (generated) 000404298.b3lyp_6-31g(d).log.xz 000404298.td-b3lyp_6-31g+(d).inp 000404298.td-b3lyp_6-31g+(d).log.xz

000404298.td-b3lyp_6-31+g(d).qchem.inp (generated)

000404298.td-b3lyp_6-31+g(d).gjf (generated)

000404298.td-b3lyp_6-31+g(d).firefly.inp (generated)

000404298.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000404298.mol 000404298.PUBCHEM 000404298.mol (via Jmol)
000404338.b3lyp_6-31g(d).inp

000404338.b3lyp_6-31g(d).qchem.inp (generated)

000404338.b3lyp_6-31g(d).gjf (generated)

000404338.b3lyp_6-31g(d).firefly.inp (generated)

000404338.b3lyp_6-31g(d).smash.inp (generated)

000404338.b3lyp_6-31g(d).nwchem.inp (generated) 000404338.b3lyp_6-31g(d).log.xz 000404338.td-b3lyp_6-31g+(d).inp 000404338.td-b3lyp_6-31g+(d).log.xz

000404338.td-b3lyp_6-31+g(d).qchem.inp (generated)

000404338.td-b3lyp_6-31+g(d).gjf (generated)

000404338.td-b3lyp_6-31+g(d).firefly.inp (generated)

000404338.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000404338.mol 000404338.PUBCHEM 000404338.mol (via Jmol)
000404383.b3lyp_6-31g(d).inp

000404383.b3lyp_6-31g(d).qchem.inp (generated)

000404383.b3lyp_6-31g(d).gjf (generated)

000404383.b3lyp_6-31g(d).firefly.inp (generated)

000404383.b3lyp_6-31g(d).smash.inp (generated)

000404383.b3lyp_6-31g(d).nwchem.inp (generated) 000404383.b3lyp_6-31g(d).log.xz 000404383.td-b3lyp_6-31g+(d).inp 000404383.td-b3lyp_6-31g+(d).log.xz

000404383.td-b3lyp_6-31+g(d).qchem.inp (generated)

000404383.td-b3lyp_6-31+g(d).gjf (generated)

000404383.td-b3lyp_6-31+g(d).firefly.inp (generated)

000404383.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000404383.mol 000404383.PUBCHEM 000404383.mol (via Jmol)
000404385.b3lyp_6-31g(d).inp

000404385.b3lyp_6-31g(d).qchem.inp (generated)

000404385.b3lyp_6-31g(d).gjf (generated)

000404385.b3lyp_6-31g(d).firefly.inp (generated)

000404385.b3lyp_6-31g(d).smash.inp (generated)

000404385.b3lyp_6-31g(d).nwchem.inp (generated) 000404385.b3lyp_6-31g(d).log.xz 000404385.td-b3lyp_6-31g+(d).inp 000404385.td-b3lyp_6-31g+(d).log.xz

000404385.td-b3lyp_6-31+g(d).qchem.inp (generated)

000404385.td-b3lyp_6-31+g(d).gjf (generated)

000404385.td-b3lyp_6-31+g(d).firefly.inp (generated)

000404385.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000404385.mol 000404385.PUBCHEM 000404385.mol (via Jmol)
000404447.b3lyp_6-31g(d).inp

000404447.b3lyp_6-31g(d).qchem.inp (generated)

000404447.b3lyp_6-31g(d).gjf (generated)

000404447.b3lyp_6-31g(d).firefly.inp (generated)

000404447.b3lyp_6-31g(d).smash.inp (generated)

000404447.b3lyp_6-31g(d).nwchem.inp (generated) 000404447.b3lyp_6-31g(d).log.xz 000404447.td-b3lyp_6-31g+(d).inp 000404447.td-b3lyp_6-31g+(d).log.xz

000404447.td-b3lyp_6-31+g(d).qchem.inp (generated)

000404447.td-b3lyp_6-31+g(d).gjf (generated)

000404447.td-b3lyp_6-31+g(d).firefly.inp (generated)

000404447.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000404447.mol 000404447.PUBCHEM 000404447.mol (via Jmol)
000404457.b3lyp_6-31g(d).inp

000404457.b3lyp_6-31g(d).qchem.inp (generated)

000404457.b3lyp_6-31g(d).gjf (generated)

000404457.b3lyp_6-31g(d).firefly.inp (generated)

000404457.b3lyp_6-31g(d).smash.inp (generated)

000404457.b3lyp_6-31g(d).nwchem.inp (generated) 000404457.b3lyp_6-31g(d).log.xz 000404457.td-b3lyp_6-31g+(d).inp 000404457.td-b3lyp_6-31g+(d).log.xz

000404457.td-b3lyp_6-31+g(d).qchem.inp (generated)

000404457.td-b3lyp_6-31+g(d).gjf (generated)

000404457.td-b3lyp_6-31+g(d).firefly.inp (generated)

000404457.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000404457.mol 000404457.PUBCHEM 000404457.mol (via Jmol)
000404458.b3lyp_6-31g(d).inp

000404458.b3lyp_6-31g(d).qchem.inp (generated)

000404458.b3lyp_6-31g(d).gjf (generated)

000404458.b3lyp_6-31g(d).firefly.inp (generated)

000404458.b3lyp_6-31g(d).smash.inp (generated)

000404458.b3lyp_6-31g(d).nwchem.inp (generated) 000404458.b3lyp_6-31g(d).log.xz 000404458.td-b3lyp_6-31g+(d).inp 000404458.td-b3lyp_6-31g+(d).log.xz

000404458.td-b3lyp_6-31+g(d).qchem.inp (generated)

000404458.td-b3lyp_6-31+g(d).gjf (generated)

000404458.td-b3lyp_6-31+g(d).firefly.inp (generated)

000404458.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000404458.mol 000404458.PUBCHEM 000404458.mol (via Jmol)
000404465.b3lyp_6-31g(d).inp

000404465.b3lyp_6-31g(d).qchem.inp (generated)

000404465.b3lyp_6-31g(d).gjf (generated)

000404465.b3lyp_6-31g(d).firefly.inp (generated)

000404465.b3lyp_6-31g(d).smash.inp (generated)

000404465.b3lyp_6-31g(d).nwchem.inp (generated) 000404465.b3lyp_6-31g(d).log.xz 000404465.td-b3lyp_6-31g+(d).inp 000404465.td-b3lyp_6-31g+(d).log.xz

000404465.td-b3lyp_6-31+g(d).qchem.inp (generated)

000404465.td-b3lyp_6-31+g(d).gjf (generated)

000404465.td-b3lyp_6-31+g(d).firefly.inp (generated)

000404465.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000404465.mol 000404465.PUBCHEM 000404465.mol (via Jmol)
000404512.b3lyp_6-31g(d).inp

000404512.b3lyp_6-31g(d).qchem.inp (generated)

000404512.b3lyp_6-31g(d).gjf (generated)

000404512.b3lyp_6-31g(d).firefly.inp (generated)

000404512.b3lyp_6-31g(d).smash.inp (generated)

000404512.b3lyp_6-31g(d).nwchem.inp (generated) 000404512.b3lyp_6-31g(d).log.xz 000404512.td-b3lyp_6-31g+(d).inp 000404512.td-b3lyp_6-31g+(d).log.xz

000404512.td-b3lyp_6-31+g(d).qchem.inp (generated)

000404512.td-b3lyp_6-31+g(d).gjf (generated)

000404512.td-b3lyp_6-31+g(d).firefly.inp (generated)

000404512.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000404512.mol 000404512.PUBCHEM 000404512.mol (via Jmol)
000404516.b3lyp_6-31g(d).inp

000404516.b3lyp_6-31g(d).qchem.inp (generated)

000404516.b3lyp_6-31g(d).gjf (generated)

000404516.b3lyp_6-31g(d).firefly.inp (generated)

000404516.b3lyp_6-31g(d).smash.inp (generated)

000404516.b3lyp_6-31g(d).nwchem.inp (generated) 000404516.b3lyp_6-31g(d).log.xz 000404516.td-b3lyp_6-31g+(d).inp 000404516.td-b3lyp_6-31g+(d).log.xz

000404516.td-b3lyp_6-31+g(d).qchem.inp (generated)

000404516.td-b3lyp_6-31+g(d).gjf (generated)

000404516.td-b3lyp_6-31+g(d).firefly.inp (generated)

000404516.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000404516.mol 000404516.PUBCHEM 000404516.mol (via Jmol)
000404517.b3lyp_6-31g(d).inp

000404517.b3lyp_6-31g(d).qchem.inp (generated)

000404517.b3lyp_6-31g(d).gjf (generated)

000404517.b3lyp_6-31g(d).firefly.inp (generated)

000404517.b3lyp_6-31g(d).smash.inp (generated)

000404517.b3lyp_6-31g(d).nwchem.inp (generated) 000404517.b3lyp_6-31g(d).log.xz 000404517.td-b3lyp_6-31g+(d).inp 000404517.td-b3lyp_6-31g+(d).log.xz

000404517.td-b3lyp_6-31+g(d).qchem.inp (generated)

000404517.td-b3lyp_6-31+g(d).gjf (generated)

000404517.td-b3lyp_6-31+g(d).firefly.inp (generated)

000404517.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000404517.mol 000404517.PUBCHEM 000404517.mol (via Jmol)
000404534.b3lyp_6-31g(d).inp

000404534.b3lyp_6-31g(d).qchem.inp (generated)

000404534.b3lyp_6-31g(d).gjf (generated)

000404534.b3lyp_6-31g(d).firefly.inp (generated)

000404534.b3lyp_6-31g(d).smash.inp (generated)

000404534.b3lyp_6-31g(d).nwchem.inp (generated) 000404534.b3lyp_6-31g(d).log.xz 000404534.td-b3lyp_6-31g+(d).inp 000404534.td-b3lyp_6-31g+(d).log.xz

000404534.td-b3lyp_6-31+g(d).qchem.inp (generated)

000404534.td-b3lyp_6-31+g(d).gjf (generated)

000404534.td-b3lyp_6-31+g(d).firefly.inp (generated)

000404534.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000404534.mol 000404534.PUBCHEM 000404534.mol (via Jmol)
000404535.b3lyp_6-31g(d).inp

000404535.b3lyp_6-31g(d).qchem.inp (generated)

000404535.b3lyp_6-31g(d).gjf (generated)

000404535.b3lyp_6-31g(d).firefly.inp (generated)

000404535.b3lyp_6-31g(d).smash.inp (generated)

000404535.b3lyp_6-31g(d).nwchem.inp (generated) 000404535.b3lyp_6-31g(d).log.xz 000404535.td-b3lyp_6-31g+(d).inp 000404535.td-b3lyp_6-31g+(d).log.xz

000404535.td-b3lyp_6-31+g(d).qchem.inp (generated)

000404535.td-b3lyp_6-31+g(d).gjf (generated)

000404535.td-b3lyp_6-31+g(d).firefly.inp (generated)

000404535.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000404535.mol 000404535.PUBCHEM 000404535.mol (via Jmol)
000404536.b3lyp_6-31g(d).inp

000404536.b3lyp_6-31g(d).qchem.inp (generated)

000404536.b3lyp_6-31g(d).gjf (generated)

000404536.b3lyp_6-31g(d).firefly.inp (generated)

000404536.b3lyp_6-31g(d).smash.inp (generated)

000404536.b3lyp_6-31g(d).nwchem.inp (generated) 000404536.b3lyp_6-31g(d).log.xz 000404536.td-b3lyp_6-31g+(d).inp 000404536.td-b3lyp_6-31g+(d).log.xz

000404536.td-b3lyp_6-31+g(d).qchem.inp (generated)

000404536.td-b3lyp_6-31+g(d).gjf (generated)

000404536.td-b3lyp_6-31+g(d).firefly.inp (generated)

000404536.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000404536.mol 000404536.PUBCHEM 000404536.mol (via Jmol)
000404537.b3lyp_6-31g(d).inp

000404537.b3lyp_6-31g(d).qchem.inp (generated)

000404537.b3lyp_6-31g(d).gjf (generated)

000404537.b3lyp_6-31g(d).firefly.inp (generated)

000404537.b3lyp_6-31g(d).smash.inp (generated)

000404537.b3lyp_6-31g(d).nwchem.inp (generated) 000404537.b3lyp_6-31g(d).log.xz 000404537.td-b3lyp_6-31g+(d).inp 000404537.td-b3lyp_6-31g+(d).log.xz

000404537.td-b3lyp_6-31+g(d).qchem.inp (generated)

000404537.td-b3lyp_6-31+g(d).gjf (generated)

000404537.td-b3lyp_6-31+g(d).firefly.inp (generated)

000404537.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000404537.mol 000404537.PUBCHEM 000404537.mol (via Jmol)
000404592.b3lyp_6-31g(d).inp

000404592.b3lyp_6-31g(d).qchem.inp (generated)

000404592.b3lyp_6-31g(d).gjf (generated)

000404592.b3lyp_6-31g(d).firefly.inp (generated)

000404592.b3lyp_6-31g(d).smash.inp (generated)

000404592.b3lyp_6-31g(d).nwchem.inp (generated) 000404592.b3lyp_6-31g(d).log.xz 000404592.td-b3lyp_6-31g+(d).inp 000404592.td-b3lyp_6-31g+(d).log.xz

000404592.td-b3lyp_6-31+g(d).qchem.inp (generated)

000404592.td-b3lyp_6-31+g(d).gjf (generated)

000404592.td-b3lyp_6-31+g(d).firefly.inp (generated)

000404592.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000404592.mol 000404592.PUBCHEM 000404592.mol (via Jmol)
000404648.b3lyp_6-31g(d).inp

000404648.b3lyp_6-31g(d).qchem.inp (generated)

000404648.b3lyp_6-31g(d).gjf (generated)

000404648.b3lyp_6-31g(d).firefly.inp (generated)

000404648.b3lyp_6-31g(d).smash.inp (generated)

000404648.b3lyp_6-31g(d).nwchem.inp (generated) 000404648.b3lyp_6-31g(d).log.xz 000404648.td-b3lyp_6-31g+(d).inp 000404648.td-b3lyp_6-31g+(d).log.xz

000404648.td-b3lyp_6-31+g(d).qchem.inp (generated)

000404648.td-b3lyp_6-31+g(d).gjf (generated)

000404648.td-b3lyp_6-31+g(d).firefly.inp (generated)

000404648.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000404648.mol 000404648.PUBCHEM 000404648.mol (via Jmol)
000404684.b3lyp_6-31g(d).inp

000404684.b3lyp_6-31g(d).qchem.inp (generated)

000404684.b3lyp_6-31g(d).gjf (generated)

000404684.b3lyp_6-31g(d).firefly.inp (generated)

000404684.b3lyp_6-31g(d).smash.inp (generated)

000404684.b3lyp_6-31g(d).nwchem.inp (generated) 000404684.b3lyp_6-31g(d).log.xz 000404684.td-b3lyp_6-31g+(d).inp 000404684.td-b3lyp_6-31g+(d).log.xz

000404684.td-b3lyp_6-31+g(d).qchem.inp (generated)

000404684.td-b3lyp_6-31+g(d).gjf (generated)

000404684.td-b3lyp_6-31+g(d).firefly.inp (generated)

000404684.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000404684.mol 000404684.PUBCHEM 000404684.mol (via Jmol)
000404694.b3lyp_6-31g(d).inp

000404694.b3lyp_6-31g(d).qchem.inp (generated)

000404694.b3lyp_6-31g(d).gjf (generated)

000404694.b3lyp_6-31g(d).firefly.inp (generated)

000404694.b3lyp_6-31g(d).smash.inp (generated)

000404694.b3lyp_6-31g(d).nwchem.inp (generated) 000404694.b3lyp_6-31g(d).log.xz 000404694.td-b3lyp_6-31g+(d).inp 000404694.td-b3lyp_6-31g+(d).log.xz

000404694.td-b3lyp_6-31+g(d).qchem.inp (generated)

000404694.td-b3lyp_6-31+g(d).gjf (generated)

000404694.td-b3lyp_6-31+g(d).firefly.inp (generated)

000404694.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000404694.mol 000404694.PUBCHEM 000404694.mol (via Jmol)
000404705.b3lyp_6-31g(d).inp

000404705.b3lyp_6-31g(d).qchem.inp (generated)

000404705.b3lyp_6-31g(d).gjf (generated)

000404705.b3lyp_6-31g(d).firefly.inp (generated)

000404705.b3lyp_6-31g(d).smash.inp (generated)

000404705.b3lyp_6-31g(d).nwchem.inp (generated) 000404705.b3lyp_6-31g(d).log.xz 000404705.td-b3lyp_6-31g+(d).inp 000404705.td-b3lyp_6-31g+(d).log.xz

000404705.td-b3lyp_6-31+g(d).qchem.inp (generated)

000404705.td-b3lyp_6-31+g(d).gjf (generated)

000404705.td-b3lyp_6-31+g(d).firefly.inp (generated)

000404705.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000404705.mol 000404705.PUBCHEM 000404705.mol (via Jmol)
000404757.b3lyp_6-31g(d).inp

000404757.b3lyp_6-31g(d).qchem.inp (generated)

000404757.b3lyp_6-31g(d).gjf (generated)

000404757.b3lyp_6-31g(d).firefly.inp (generated)

000404757.b3lyp_6-31g(d).smash.inp (generated)

000404757.b3lyp_6-31g(d).nwchem.inp (generated) 000404757.b3lyp_6-31g(d).log.xz 000404757.td-b3lyp_6-31g+(d).inp 000404757.td-b3lyp_6-31g+(d).log.xz

000404757.td-b3lyp_6-31+g(d).qchem.inp (generated)

000404757.td-b3lyp_6-31+g(d).gjf (generated)

000404757.td-b3lyp_6-31+g(d).firefly.inp (generated)

000404757.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000404757.mol 000404757.PUBCHEM 000404757.mol (via Jmol)
000404758.b3lyp_6-31g(d).inp

000404758.b3lyp_6-31g(d).qchem.inp (generated)

000404758.b3lyp_6-31g(d).gjf (generated)

000404758.b3lyp_6-31g(d).firefly.inp (generated)

000404758.b3lyp_6-31g(d).smash.inp (generated)

000404758.b3lyp_6-31g(d).nwchem.inp (generated) 000404758.b3lyp_6-31g(d).log.xz 000404758.td-b3lyp_6-31g+(d).inp 000404758.td-b3lyp_6-31g+(d).log.xz

000404758.td-b3lyp_6-31+g(d).qchem.inp (generated)

000404758.td-b3lyp_6-31+g(d).gjf (generated)

000404758.td-b3lyp_6-31+g(d).firefly.inp (generated)

000404758.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000404758.mol 000404758.PUBCHEM 000404758.mol (via Jmol)
000404761.b3lyp_6-31g(d).inp

000404761.b3lyp_6-31g(d).qchem.inp (generated)

000404761.b3lyp_6-31g(d).gjf (generated)

000404761.b3lyp_6-31g(d).firefly.inp (generated)

000404761.b3lyp_6-31g(d).smash.inp (generated)

000404761.b3lyp_6-31g(d).nwchem.inp (generated) 000404761.b3lyp_6-31g(d).log.xz 000404761.td-b3lyp_6-31g+(d).inp 000404761.td-b3lyp_6-31g+(d).log.xz

000404761.td-b3lyp_6-31+g(d).qchem.inp (generated)

000404761.td-b3lyp_6-31+g(d).gjf (generated)

000404761.td-b3lyp_6-31+g(d).firefly.inp (generated)

000404761.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000404761.mol 000404761.PUBCHEM 000404761.mol (via Jmol)
000404762.b3lyp_6-31g(d).inp

000404762.b3lyp_6-31g(d).qchem.inp (generated)

000404762.b3lyp_6-31g(d).gjf (generated)

000404762.b3lyp_6-31g(d).firefly.inp (generated)

000404762.b3lyp_6-31g(d).smash.inp (generated)

000404762.b3lyp_6-31g(d).nwchem.inp (generated) 000404762.b3lyp_6-31g(d).log.xz 000404762.td-b3lyp_6-31g+(d).inp 000404762.td-b3lyp_6-31g+(d).log.xz

000404762.td-b3lyp_6-31+g(d).qchem.inp (generated)

000404762.td-b3lyp_6-31+g(d).gjf (generated)

000404762.td-b3lyp_6-31+g(d).firefly.inp (generated)

000404762.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000404762.mol 000404762.PUBCHEM 000404762.mol (via Jmol)
000404764.b3lyp_6-31g(d).inp

000404764.b3lyp_6-31g(d).qchem.inp (generated)

000404764.b3lyp_6-31g(d).gjf (generated)

000404764.b3lyp_6-31g(d).firefly.inp (generated)

000404764.b3lyp_6-31g(d).smash.inp (generated)

000404764.b3lyp_6-31g(d).nwchem.inp (generated) 000404764.b3lyp_6-31g(d).log.xz 000404764.td-b3lyp_6-31g+(d).inp 000404764.td-b3lyp_6-31g+(d).log.xz

000404764.td-b3lyp_6-31+g(d).qchem.inp (generated)

000404764.td-b3lyp_6-31+g(d).gjf (generated)

000404764.td-b3lyp_6-31+g(d).firefly.inp (generated)

000404764.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000404764.mol 000404764.PUBCHEM 000404764.mol (via Jmol)
000404821.b3lyp_6-31g(d).inp

000404821.b3lyp_6-31g(d).qchem.inp (generated)

000404821.b3lyp_6-31g(d).gjf (generated)

000404821.b3lyp_6-31g(d).firefly.inp (generated)

000404821.b3lyp_6-31g(d).smash.inp (generated)

000404821.b3lyp_6-31g(d).nwchem.inp (generated) 000404821.b3lyp_6-31g(d).log.xz 000404821.td-b3lyp_6-31g+(d).inp 000404821.td-b3lyp_6-31g+(d).log.xz

000404821.td-b3lyp_6-31+g(d).qchem.inp (generated)

000404821.td-b3lyp_6-31+g(d).gjf (generated)

000404821.td-b3lyp_6-31+g(d).firefly.inp (generated)

000404821.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000404821.mol 000404821.PUBCHEM 000404821.mol (via Jmol)
000404918.b3lyp_6-31g(d).inp

000404918.b3lyp_6-31g(d).qchem.inp (generated)

000404918.b3lyp_6-31g(d).gjf (generated)

000404918.b3lyp_6-31g(d).firefly.inp (generated)

000404918.b3lyp_6-31g(d).smash.inp (generated)

000404918.b3lyp_6-31g(d).nwchem.inp (generated) 000404918.b3lyp_6-31g(d).log.xz 000404918.td-b3lyp_6-31g+(d).inp 000404918.td-b3lyp_6-31g+(d).log.xz

000404918.td-b3lyp_6-31+g(d).qchem.inp (generated)

000404918.td-b3lyp_6-31+g(d).gjf (generated)

000404918.td-b3lyp_6-31+g(d).firefly.inp (generated)

000404918.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000404918.mol 000404918.PUBCHEM 000404918.mol (via Jmol)
000404924.b3lyp_6-31g(d).inp

000404924.b3lyp_6-31g(d).qchem.inp (generated)

000404924.b3lyp_6-31g(d).gjf (generated)

000404924.b3lyp_6-31g(d).firefly.inp (generated)

000404924.b3lyp_6-31g(d).smash.inp (generated)

000404924.b3lyp_6-31g(d).nwchem.inp (generated) 000404924.b3lyp_6-31g(d).log.xz 000404924.td-b3lyp_6-31g+(d).inp 000404924.td-b3lyp_6-31g+(d).log.xz

000404924.td-b3lyp_6-31+g(d).qchem.inp (generated)

000404924.td-b3lyp_6-31+g(d).gjf (generated)

000404924.td-b3lyp_6-31+g(d).firefly.inp (generated)

000404924.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000404924.mol 000404924.PUBCHEM 000404924.mol (via Jmol)
000405012.b3lyp_6-31g(d).inp

000405012.b3lyp_6-31g(d).qchem.inp (generated)

000405012.b3lyp_6-31g(d).gjf (generated)

000405012.b3lyp_6-31g(d).firefly.inp (generated)

000405012.b3lyp_6-31g(d).smash.inp (generated)

000405012.b3lyp_6-31g(d).nwchem.inp (generated) 000405012.b3lyp_6-31g(d).log.xz 000405012.td-b3lyp_6-31g+(d).inp 000405012.td-b3lyp_6-31g+(d).log.xz

000405012.td-b3lyp_6-31+g(d).qchem.inp (generated)

000405012.td-b3lyp_6-31+g(d).gjf (generated)

000405012.td-b3lyp_6-31+g(d).firefly.inp (generated)

000405012.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000405012.mol 000405012.PUBCHEM 000405012.mol (via Jmol)
000405042.b3lyp_6-31g(d).inp

000405042.b3lyp_6-31g(d).qchem.inp (generated)

000405042.b3lyp_6-31g(d).gjf (generated)

000405042.b3lyp_6-31g(d).firefly.inp (generated)

000405042.b3lyp_6-31g(d).smash.inp (generated)

000405042.b3lyp_6-31g(d).nwchem.inp (generated) 000405042.b3lyp_6-31g(d).log.xz 000405042.td-b3lyp_6-31g+(d).inp 000405042.td-b3lyp_6-31g+(d).log.xz

000405042.td-b3lyp_6-31+g(d).qchem.inp (generated)

000405042.td-b3lyp_6-31+g(d).gjf (generated)

000405042.td-b3lyp_6-31+g(d).firefly.inp (generated)

000405042.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000405042.mol 000405042.PUBCHEM 000405042.mol (via Jmol)
000405128.b3lyp_6-31g(d).inp

000405128.b3lyp_6-31g(d).qchem.inp (generated)

000405128.b3lyp_6-31g(d).gjf (generated)

000405128.b3lyp_6-31g(d).firefly.inp (generated)

000405128.b3lyp_6-31g(d).smash.inp (generated)

000405128.b3lyp_6-31g(d).nwchem.inp (generated) 000405128.b3lyp_6-31g(d).log.xz 000405128.td-b3lyp_6-31g+(d).inp 000405128.td-b3lyp_6-31g+(d).log.xz

000405128.td-b3lyp_6-31+g(d).qchem.inp (generated)

000405128.td-b3lyp_6-31+g(d).gjf (generated)

000405128.td-b3lyp_6-31+g(d).firefly.inp (generated)

000405128.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000405128.mol 000405128.PUBCHEM 000405128.mol (via Jmol)
000405167.b3lyp_6-31g(d).inp

000405167.b3lyp_6-31g(d).qchem.inp (generated)

000405167.b3lyp_6-31g(d).gjf (generated)

000405167.b3lyp_6-31g(d).firefly.inp (generated)

000405167.b3lyp_6-31g(d).smash.inp (generated)

000405167.b3lyp_6-31g(d).nwchem.inp (generated) 000405167.b3lyp_6-31g(d).log.xz 000405167.td-b3lyp_6-31g+(d).inp 000405167.td-b3lyp_6-31g+(d).log.xz

000405167.td-b3lyp_6-31+g(d).qchem.inp (generated)

000405167.td-b3lyp_6-31+g(d).gjf (generated)

000405167.td-b3lyp_6-31+g(d).firefly.inp (generated)

000405167.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000405167.mol 000405167.PUBCHEM 000405167.mol (via Jmol)
000405168.b3lyp_6-31g(d).inp

000405168.b3lyp_6-31g(d).qchem.inp (generated)

000405168.b3lyp_6-31g(d).gjf (generated)

000405168.b3lyp_6-31g(d).firefly.inp (generated)

000405168.b3lyp_6-31g(d).smash.inp (generated)

000405168.b3lyp_6-31g(d).nwchem.inp (generated) 000405168.b3lyp_6-31g(d).log.xz 000405168.td-b3lyp_6-31g+(d).inp 000405168.td-b3lyp_6-31g+(d).log.xz

000405168.td-b3lyp_6-31+g(d).qchem.inp (generated)

000405168.td-b3lyp_6-31+g(d).gjf (generated)

000405168.td-b3lyp_6-31+g(d).firefly.inp (generated)

000405168.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000405168.mol 000405168.PUBCHEM 000405168.mol (via Jmol)
000405197.b3lyp_6-31g(d).inp

000405197.b3lyp_6-31g(d).qchem.inp (generated)

000405197.b3lyp_6-31g(d).gjf (generated)

000405197.b3lyp_6-31g(d).firefly.inp (generated)

000405197.b3lyp_6-31g(d).smash.inp (generated)

000405197.b3lyp_6-31g(d).nwchem.inp (generated) 000405197.b3lyp_6-31g(d).log.xz 000405197.mol 000405197.PUBCHEM 000405197.mol (via Jmol)
000405202.b3lyp_6-31g(d).inp

000405202.b3lyp_6-31g(d).qchem.inp (generated)

000405202.b3lyp_6-31g(d).gjf (generated)

000405202.b3lyp_6-31g(d).firefly.inp (generated)

000405202.b3lyp_6-31g(d).smash.inp (generated)

000405202.b3lyp_6-31g(d).nwchem.inp (generated) 000405202.b3lyp_6-31g(d).log.xz 000405202.td-b3lyp_6-31g+(d).inp 000405202.td-b3lyp_6-31g+(d).log.xz

000405202.td-b3lyp_6-31+g(d).qchem.inp (generated)

000405202.td-b3lyp_6-31+g(d).gjf (generated)

000405202.td-b3lyp_6-31+g(d).firefly.inp (generated)

000405202.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000405202.mol 000405202.PUBCHEM 000405202.mol (via Jmol)
000405235.b3lyp_6-31g(d).inp

000405235.b3lyp_6-31g(d).qchem.inp (generated)

000405235.b3lyp_6-31g(d).gjf (generated)

000405235.b3lyp_6-31g(d).firefly.inp (generated)

000405235.b3lyp_6-31g(d).smash.inp (generated)

000405235.b3lyp_6-31g(d).nwchem.inp (generated) 000405235.b3lyp_6-31g(d).log.xz 000405235.td-b3lyp_6-31g+(d).inp 000405235.td-b3lyp_6-31g+(d).log.xz

000405235.td-b3lyp_6-31+g(d).qchem.inp (generated)

000405235.td-b3lyp_6-31+g(d).gjf (generated)

000405235.td-b3lyp_6-31+g(d).firefly.inp (generated)

000405235.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000405235.mol 000405235.PUBCHEM 000405235.mol (via Jmol)
000405236.b3lyp_6-31g(d).inp

000405236.b3lyp_6-31g(d).qchem.inp (generated)

000405236.b3lyp_6-31g(d).gjf (generated)

000405236.b3lyp_6-31g(d).firefly.inp (generated)

000405236.b3lyp_6-31g(d).smash.inp (generated)

000405236.b3lyp_6-31g(d).nwchem.inp (generated) 000405236.b3lyp_6-31g(d).log.xz 000405236.mol 000405236.PUBCHEM 000405236.mol (via Jmol)
000405239.b3lyp_6-31g(d).inp

000405239.b3lyp_6-31g(d).qchem.inp (generated)

000405239.b3lyp_6-31g(d).gjf (generated)

000405239.b3lyp_6-31g(d).firefly.inp (generated)

000405239.b3lyp_6-31g(d).smash.inp (generated)

000405239.b3lyp_6-31g(d).nwchem.inp (generated) 000405239.b3lyp_6-31g(d).log.xz 000405239.td-b3lyp_6-31g+(d).inp 000405239.td-b3lyp_6-31g+(d).log.xz

000405239.td-b3lyp_6-31+g(d).qchem.inp (generated)

000405239.td-b3lyp_6-31+g(d).gjf (generated)

000405239.td-b3lyp_6-31+g(d).firefly.inp (generated)

000405239.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000405239.mol 000405239.PUBCHEM 000405239.mol (via Jmol)
000405270.b3lyp_6-31g(d).inp

000405270.b3lyp_6-31g(d).qchem.inp (generated)

000405270.b3lyp_6-31g(d).gjf (generated)

000405270.b3lyp_6-31g(d).firefly.inp (generated)

000405270.b3lyp_6-31g(d).smash.inp (generated)

000405270.b3lyp_6-31g(d).nwchem.inp (generated) 000405270.b3lyp_6-31g(d).log.xz 000405270.td-b3lyp_6-31g+(d).inp 000405270.td-b3lyp_6-31g+(d).log.xz

000405270.td-b3lyp_6-31+g(d).qchem.inp (generated)

000405270.td-b3lyp_6-31+g(d).gjf (generated)

000405270.td-b3lyp_6-31+g(d).firefly.inp (generated)

000405270.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000405270.mol 000405270.PUBCHEM 000405270.mol (via Jmol)
000405275.b3lyp_6-31g(d).inp

000405275.b3lyp_6-31g(d).qchem.inp (generated)

000405275.b3lyp_6-31g(d).gjf (generated)

000405275.b3lyp_6-31g(d).firefly.inp (generated)

000405275.b3lyp_6-31g(d).smash.inp (generated)

000405275.b3lyp_6-31g(d).nwchem.inp (generated) 000405275.b3lyp_6-31g(d).log.xz 000405275.mol 000405275.PUBCHEM 000405275.mol (via Jmol)
000405278.b3lyp_6-31g(d).inp

000405278.b3lyp_6-31g(d).qchem.inp (generated)

000405278.b3lyp_6-31g(d).gjf (generated)

000405278.b3lyp_6-31g(d).firefly.inp (generated)

000405278.b3lyp_6-31g(d).smash.inp (generated)

000405278.b3lyp_6-31g(d).nwchem.inp (generated) 000405278.b3lyp_6-31g(d).log.xz 000405278.td-b3lyp_6-31g+(d).inp 000405278.td-b3lyp_6-31g+(d).log.xz

000405278.td-b3lyp_6-31+g(d).qchem.inp (generated)

000405278.td-b3lyp_6-31+g(d).gjf (generated)

000405278.td-b3lyp_6-31+g(d).firefly.inp (generated)

000405278.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000405278.mol 000405278.PUBCHEM 000405278.mol (via Jmol)
000405305.b3lyp_6-31g(d).inp

000405305.b3lyp_6-31g(d).qchem.inp (generated)

000405305.b3lyp_6-31g(d).gjf (generated)

000405305.b3lyp_6-31g(d).firefly.inp (generated)

000405305.b3lyp_6-31g(d).smash.inp (generated)

000405305.b3lyp_6-31g(d).nwchem.inp (generated) 000405305.b3lyp_6-31g(d).log.xz 000405305.td-b3lyp_6-31g+(d).inp 000405305.td-b3lyp_6-31g+(d).log.xz

000405305.td-b3lyp_6-31+g(d).qchem.inp (generated)

000405305.td-b3lyp_6-31+g(d).gjf (generated)

000405305.td-b3lyp_6-31+g(d).firefly.inp (generated)

000405305.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000405305.mol 000405305.PUBCHEM 000405305.mol (via Jmol)
000405362.b3lyp_6-31g(d).inp

000405362.b3lyp_6-31g(d).qchem.inp (generated)

000405362.b3lyp_6-31g(d).gjf (generated)

000405362.b3lyp_6-31g(d).firefly.inp (generated)

000405362.b3lyp_6-31g(d).smash.inp (generated)

000405362.b3lyp_6-31g(d).nwchem.inp (generated) 000405362.b3lyp_6-31g(d).log.xz 000405362.td-b3lyp_6-31g+(d).inp 000405362.td-b3lyp_6-31g+(d).log.xz

000405362.td-b3lyp_6-31+g(d).qchem.inp (generated)

000405362.td-b3lyp_6-31+g(d).gjf (generated)

000405362.td-b3lyp_6-31+g(d).firefly.inp (generated)

000405362.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000405362.mol 000405362.PUBCHEM 000405362.mol (via Jmol)
000405406.b3lyp_6-31g(d).inp

000405406.b3lyp_6-31g(d).qchem.inp (generated)

000405406.b3lyp_6-31g(d).gjf (generated)

000405406.b3lyp_6-31g(d).firefly.inp (generated)

000405406.b3lyp_6-31g(d).smash.inp (generated)

000405406.b3lyp_6-31g(d).nwchem.inp (generated) 000405406.b3lyp_6-31g(d).log.xz 000405406.td-b3lyp_6-31g+(d).inp 000405406.td-b3lyp_6-31g+(d).log.xz

000405406.td-b3lyp_6-31+g(d).qchem.inp (generated)

000405406.td-b3lyp_6-31+g(d).gjf (generated)

000405406.td-b3lyp_6-31+g(d).firefly.inp (generated)

000405406.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000405406.mol 000405406.PUBCHEM 000405406.mol (via Jmol)
000405581.b3lyp_6-31g(d).inp

000405581.b3lyp_6-31g(d).qchem.inp (generated)

000405581.b3lyp_6-31g(d).gjf (generated)

000405581.b3lyp_6-31g(d).firefly.inp (generated)

000405581.b3lyp_6-31g(d).smash.inp (generated)

000405581.b3lyp_6-31g(d).nwchem.inp (generated) 000405581.b3lyp_6-31g(d).log.xz 000405581.td-b3lyp_6-31g+(d).inp 000405581.td-b3lyp_6-31g+(d).log.xz

000405581.td-b3lyp_6-31+g(d).qchem.inp (generated)

000405581.td-b3lyp_6-31+g(d).gjf (generated)

000405581.td-b3lyp_6-31+g(d).firefly.inp (generated)

000405581.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000405581.mol 000405581.PUBCHEM 000405581.mol (via Jmol)
000405583.b3lyp_6-31g(d).inp

000405583.b3lyp_6-31g(d).qchem.inp (generated)

000405583.b3lyp_6-31g(d).gjf (generated)

000405583.b3lyp_6-31g(d).firefly.inp (generated)

000405583.b3lyp_6-31g(d).smash.inp (generated)

000405583.b3lyp_6-31g(d).nwchem.inp (generated) 000405583.b3lyp_6-31g(d).log.xz 000405583.td-b3lyp_6-31g+(d).inp 000405583.td-b3lyp_6-31g+(d).log.xz

000405583.td-b3lyp_6-31+g(d).qchem.inp (generated)

000405583.td-b3lyp_6-31+g(d).gjf (generated)

000405583.td-b3lyp_6-31+g(d).firefly.inp (generated)

000405583.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000405583.mol 000405583.PUBCHEM 000405583.mol (via Jmol)
000405596.b3lyp_6-31g(d).inp

000405596.b3lyp_6-31g(d).qchem.inp (generated)

000405596.b3lyp_6-31g(d).gjf (generated)

000405596.b3lyp_6-31g(d).firefly.inp (generated)

000405596.b3lyp_6-31g(d).smash.inp (generated)

000405596.b3lyp_6-31g(d).nwchem.inp (generated) 000405596.b3lyp_6-31g(d).log.xz 000405596.mol 000405596.PUBCHEM 000405596.mol (via Jmol)
000405597.b3lyp_6-31g(d).inp

000405597.b3lyp_6-31g(d).qchem.inp (generated)

000405597.b3lyp_6-31g(d).gjf (generated)

000405597.b3lyp_6-31g(d).firefly.inp (generated)

000405597.b3lyp_6-31g(d).smash.inp (generated)

000405597.b3lyp_6-31g(d).nwchem.inp (generated) 000405597.b3lyp_6-31g(d).log.xz 000405597.td-b3lyp_6-31g+(d).inp 000405597.td-b3lyp_6-31g+(d).log.xz

000405597.td-b3lyp_6-31+g(d).qchem.inp (generated)

000405597.td-b3lyp_6-31+g(d).gjf (generated)

000405597.td-b3lyp_6-31+g(d).firefly.inp (generated)

000405597.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000405597.mol 000405597.PUBCHEM 000405597.mol (via Jmol)
000405600.b3lyp_6-31g(d).inp

000405600.b3lyp_6-31g(d).qchem.inp (generated)

000405600.b3lyp_6-31g(d).gjf (generated)

000405600.b3lyp_6-31g(d).firefly.inp (generated)

000405600.b3lyp_6-31g(d).smash.inp (generated)

000405600.b3lyp_6-31g(d).nwchem.inp (generated) 000405600.b3lyp_6-31g(d).log.xz 000405600.td-b3lyp_6-31g+(d).inp 000405600.td-b3lyp_6-31g+(d).log.xz

000405600.td-b3lyp_6-31+g(d).qchem.inp (generated)

000405600.td-b3lyp_6-31+g(d).gjf (generated)

000405600.td-b3lyp_6-31+g(d).firefly.inp (generated)

000405600.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000405600.mol 000405600.PUBCHEM 000405600.mol (via Jmol)
000405708.b3lyp_6-31g(d).inp

000405708.b3lyp_6-31g(d).qchem.inp (generated)

000405708.b3lyp_6-31g(d).gjf (generated)

000405708.b3lyp_6-31g(d).firefly.inp (generated)

000405708.b3lyp_6-31g(d).smash.inp (generated)

000405708.b3lyp_6-31g(d).nwchem.inp (generated) 000405708.b3lyp_6-31g(d).log.xz 000405708.td-b3lyp_6-31g+(d).inp 000405708.td-b3lyp_6-31g+(d).log.xz

000405708.td-b3lyp_6-31+g(d).qchem.inp (generated)

000405708.td-b3lyp_6-31+g(d).gjf (generated)

000405708.td-b3lyp_6-31+g(d).firefly.inp (generated)

000405708.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000405708.mol 000405708.PUBCHEM 000405708.mol (via Jmol)
000405722.b3lyp_6-31g(d).inp

000405722.b3lyp_6-31g(d).qchem.inp (generated)

000405722.b3lyp_6-31g(d).gjf (generated)

000405722.b3lyp_6-31g(d).firefly.inp (generated)

000405722.b3lyp_6-31g(d).smash.inp (generated)

000405722.b3lyp_6-31g(d).nwchem.inp (generated) 000405722.b3lyp_6-31g(d).log.xz 000405722.td-b3lyp_6-31g+(d).inp 000405722.td-b3lyp_6-31g+(d).log.xz

000405722.td-b3lyp_6-31+g(d).qchem.inp (generated)

000405722.td-b3lyp_6-31+g(d).gjf (generated)

000405722.td-b3lyp_6-31+g(d).firefly.inp (generated)

000405722.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000405722.mol 000405722.PUBCHEM 000405722.mol (via Jmol)
000405723.b3lyp_6-31g(d).inp

000405723.b3lyp_6-31g(d).qchem.inp (generated)

000405723.b3lyp_6-31g(d).gjf (generated)

000405723.b3lyp_6-31g(d).firefly.inp (generated)

000405723.b3lyp_6-31g(d).smash.inp (generated)

000405723.b3lyp_6-31g(d).nwchem.inp (generated) 000405723.b3lyp_6-31g(d).log.xz 000405723.td-b3lyp_6-31g+(d).inp 000405723.td-b3lyp_6-31g+(d).log.xz

000405723.td-b3lyp_6-31+g(d).qchem.inp (generated)

000405723.td-b3lyp_6-31+g(d).gjf (generated)

000405723.td-b3lyp_6-31+g(d).firefly.inp (generated)

000405723.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000405723.mol 000405723.PUBCHEM 000405723.mol (via Jmol)
000405729.b3lyp_6-31g(d).inp

000405729.b3lyp_6-31g(d).qchem.inp (generated)

000405729.b3lyp_6-31g(d).gjf (generated)

000405729.b3lyp_6-31g(d).firefly.inp (generated)

000405729.b3lyp_6-31g(d).smash.inp (generated)

000405729.b3lyp_6-31g(d).nwchem.inp (generated) 000405729.b3lyp_6-31g(d).log.xz 000405729.td-b3lyp_6-31g+(d).inp 000405729.td-b3lyp_6-31g+(d).log.xz

000405729.td-b3lyp_6-31+g(d).qchem.inp (generated)

000405729.td-b3lyp_6-31+g(d).gjf (generated)

000405729.td-b3lyp_6-31+g(d).firefly.inp (generated)

000405729.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000405729.mol 000405729.PUBCHEM 000405729.mol (via Jmol)
000405797.b3lyp_6-31g(d).inp

000405797.b3lyp_6-31g(d).qchem.inp (generated)

000405797.b3lyp_6-31g(d).gjf (generated)

000405797.b3lyp_6-31g(d).firefly.inp (generated)

000405797.b3lyp_6-31g(d).smash.inp (generated)

000405797.b3lyp_6-31g(d).nwchem.inp (generated) 000405797.b3lyp_6-31g(d).log.xz 000405797.td-b3lyp_6-31g+(d).inp 000405797.td-b3lyp_6-31g+(d).log.xz

000405797.td-b3lyp_6-31+g(d).qchem.inp (generated)

000405797.td-b3lyp_6-31+g(d).gjf (generated)

000405797.td-b3lyp_6-31+g(d).firefly.inp (generated)

000405797.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000405797.mol 000405797.PUBCHEM 000405797.mol (via Jmol)
000405800.b3lyp_6-31g(d).inp

000405800.b3lyp_6-31g(d).qchem.inp (generated)

000405800.b3lyp_6-31g(d).gjf (generated)

000405800.b3lyp_6-31g(d).firefly.inp (generated)

000405800.b3lyp_6-31g(d).smash.inp (generated)

000405800.b3lyp_6-31g(d).nwchem.inp (generated) 000405800.b3lyp_6-31g(d).log.xz 000405800.td-b3lyp_6-31g+(d).inp 000405800.td-b3lyp_6-31g+(d).log.xz

000405800.td-b3lyp_6-31+g(d).qchem.inp (generated)

000405800.td-b3lyp_6-31+g(d).gjf (generated)

000405800.td-b3lyp_6-31+g(d).firefly.inp (generated)

000405800.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000405800.mol 000405800.PUBCHEM 000405800.mol (via Jmol)
000405801.b3lyp_6-31g(d).inp

000405801.b3lyp_6-31g(d).qchem.inp (generated)

000405801.b3lyp_6-31g(d).gjf (generated)

000405801.b3lyp_6-31g(d).firefly.inp (generated)

000405801.b3lyp_6-31g(d).smash.inp (generated)

000405801.b3lyp_6-31g(d).nwchem.inp (generated) 000405801.b3lyp_6-31g(d).log.xz 000405801.td-b3lyp_6-31g+(d).inp 000405801.td-b3lyp_6-31g+(d).log.xz

000405801.td-b3lyp_6-31+g(d).qchem.inp (generated)

000405801.td-b3lyp_6-31+g(d).gjf (generated)

000405801.td-b3lyp_6-31+g(d).firefly.inp (generated)

000405801.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000405801.mol 000405801.PUBCHEM 000405801.mol (via Jmol)
000405802.b3lyp_6-31g(d).inp

000405802.b3lyp_6-31g(d).qchem.inp (generated)

000405802.b3lyp_6-31g(d).gjf (generated)

000405802.b3lyp_6-31g(d).firefly.inp (generated)

000405802.b3lyp_6-31g(d).smash.inp (generated)

000405802.b3lyp_6-31g(d).nwchem.inp (generated) 000405802.b3lyp_6-31g(d).log.xz 000405802.td-b3lyp_6-31g+(d).inp 000405802.td-b3lyp_6-31g+(d).log.xz

000405802.td-b3lyp_6-31+g(d).qchem.inp (generated)

000405802.td-b3lyp_6-31+g(d).gjf (generated)

000405802.td-b3lyp_6-31+g(d).firefly.inp (generated)

000405802.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000405802.mol 000405802.PUBCHEM 000405802.mol (via Jmol)
000405833.b3lyp_6-31g(d).inp

000405833.b3lyp_6-31g(d).qchem.inp (generated)

000405833.b3lyp_6-31g(d).gjf (generated)

000405833.b3lyp_6-31g(d).firefly.inp (generated)

000405833.b3lyp_6-31g(d).smash.inp (generated)

000405833.b3lyp_6-31g(d).nwchem.inp (generated) 000405833.b3lyp_6-31g(d).log.xz 000405833.td-b3lyp_6-31g+(d).inp 000405833.td-b3lyp_6-31g+(d).log.xz

000405833.td-b3lyp_6-31+g(d).qchem.inp (generated)

000405833.td-b3lyp_6-31+g(d).gjf (generated)

000405833.td-b3lyp_6-31+g(d).firefly.inp (generated)

000405833.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000405833.mol 000405833.PUBCHEM 000405833.mol (via Jmol)
000405850.b3lyp_6-31g(d).inp

000405850.b3lyp_6-31g(d).qchem.inp (generated)

000405850.b3lyp_6-31g(d).gjf (generated)

000405850.b3lyp_6-31g(d).firefly.inp (generated)

000405850.b3lyp_6-31g(d).smash.inp (generated)

000405850.b3lyp_6-31g(d).nwchem.inp (generated) 000405850.b3lyp_6-31g(d).log.xz 000405850.mol 000405850.PUBCHEM 000405850.mol (via Jmol)
000405890.b3lyp_6-31g(d).inp

000405890.b3lyp_6-31g(d).qchem.inp (generated)

000405890.b3lyp_6-31g(d).gjf (generated)

000405890.b3lyp_6-31g(d).firefly.inp (generated)

000405890.b3lyp_6-31g(d).smash.inp (generated)

000405890.b3lyp_6-31g(d).nwchem.inp (generated) 000405890.b3lyp_6-31g(d).log.xz 000405890.td-b3lyp_6-31g+(d).inp 000405890.td-b3lyp_6-31g+(d).log.xz

000405890.td-b3lyp_6-31+g(d).qchem.inp (generated)

000405890.td-b3lyp_6-31+g(d).gjf (generated)

000405890.td-b3lyp_6-31+g(d).firefly.inp (generated)

000405890.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000405890.mol 000405890.PUBCHEM 000405890.mol (via Jmol)
000405894.b3lyp_6-31g(d).inp

000405894.b3lyp_6-31g(d).qchem.inp (generated)

000405894.b3lyp_6-31g(d).gjf (generated)

000405894.b3lyp_6-31g(d).firefly.inp (generated)

000405894.b3lyp_6-31g(d).smash.inp (generated)

000405894.b3lyp_6-31g(d).nwchem.inp (generated) 000405894.b3lyp_6-31g(d).log.xz 000405894.td-b3lyp_6-31g+(d).inp 000405894.td-b3lyp_6-31g+(d).log.xz

000405894.td-b3lyp_6-31+g(d).qchem.inp (generated)

000405894.td-b3lyp_6-31+g(d).gjf (generated)

000405894.td-b3lyp_6-31+g(d).firefly.inp (generated)

000405894.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000405894.mol 000405894.PUBCHEM 000405894.mol (via Jmol)
000405895.b3lyp_6-31g(d).inp

000405895.b3lyp_6-31g(d).qchem.inp (generated)

000405895.b3lyp_6-31g(d).gjf (generated)

000405895.b3lyp_6-31g(d).firefly.inp (generated)

000405895.b3lyp_6-31g(d).smash.inp (generated)

000405895.b3lyp_6-31g(d).nwchem.inp (generated) 000405895.b3lyp_6-31g(d).log.xz 000405895.td-b3lyp_6-31g+(d).inp 000405895.td-b3lyp_6-31g+(d).log.xz

000405895.td-b3lyp_6-31+g(d).qchem.inp (generated)

000405895.td-b3lyp_6-31+g(d).gjf (generated)

000405895.td-b3lyp_6-31+g(d).firefly.inp (generated)

000405895.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000405895.mol 000405895.PUBCHEM 000405895.mol (via Jmol)
000405906.b3lyp_6-31g(d).inp

000405906.b3lyp_6-31g(d).qchem.inp (generated)

000405906.b3lyp_6-31g(d).gjf (generated)

000405906.b3lyp_6-31g(d).firefly.inp (generated)

000405906.b3lyp_6-31g(d).smash.inp (generated)

000405906.b3lyp_6-31g(d).nwchem.inp (generated) 000405906.b3lyp_6-31g(d).log.xz 000405906.td-b3lyp_6-31g+(d).inp 000405906.td-b3lyp_6-31g+(d).log.xz

000405906.td-b3lyp_6-31+g(d).qchem.inp (generated)

000405906.td-b3lyp_6-31+g(d).gjf (generated)

000405906.td-b3lyp_6-31+g(d).firefly.inp (generated)

000405906.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000405906.mol 000405906.PUBCHEM 000405906.mol (via Jmol)
000405908.b3lyp_6-31g(d).inp

000405908.b3lyp_6-31g(d).qchem.inp (generated)

000405908.b3lyp_6-31g(d).gjf (generated)

000405908.b3lyp_6-31g(d).firefly.inp (generated)

000405908.b3lyp_6-31g(d).smash.inp (generated)

000405908.b3lyp_6-31g(d).nwchem.inp (generated) 000405908.b3lyp_6-31g(d).log.xz 000405908.td-b3lyp_6-31g+(d).inp 000405908.td-b3lyp_6-31g+(d).log.xz

000405908.td-b3lyp_6-31+g(d).qchem.inp (generated)

000405908.td-b3lyp_6-31+g(d).gjf (generated)

000405908.td-b3lyp_6-31+g(d).firefly.inp (generated)

000405908.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000405908.mol 000405908.PUBCHEM 000405908.mol (via Jmol)
000405915.b3lyp_6-31g(d).inp

000405915.b3lyp_6-31g(d).qchem.inp (generated)

000405915.b3lyp_6-31g(d).gjf (generated)

000405915.b3lyp_6-31g(d).firefly.inp (generated)

000405915.b3lyp_6-31g(d).smash.inp (generated)

000405915.b3lyp_6-31g(d).nwchem.inp (generated) 000405915.b3lyp_6-31g(d).log.xz 000405915.td-b3lyp_6-31g+(d).inp 000405915.td-b3lyp_6-31g+(d).log.xz

000405915.td-b3lyp_6-31+g(d).qchem.inp (generated)

000405915.td-b3lyp_6-31+g(d).gjf (generated)

000405915.td-b3lyp_6-31+g(d).firefly.inp (generated)

000405915.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000405915.mol 000405915.PUBCHEM 000405915.mol (via Jmol)
000405918.b3lyp_6-31g(d).inp

000405918.b3lyp_6-31g(d).qchem.inp (generated)

000405918.b3lyp_6-31g(d).gjf (generated)

000405918.b3lyp_6-31g(d).firefly.inp (generated)

000405918.b3lyp_6-31g(d).smash.inp (generated)

000405918.b3lyp_6-31g(d).nwchem.inp (generated) 000405918.b3lyp_6-31g(d).log.xz 000405918.td-b3lyp_6-31g+(d).inp 000405918.td-b3lyp_6-31g+(d).log.xz

000405918.td-b3lyp_6-31+g(d).qchem.inp (generated)

000405918.td-b3lyp_6-31+g(d).gjf (generated)

000405918.td-b3lyp_6-31+g(d).firefly.inp (generated)

000405918.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000405918.mol 000405918.PUBCHEM 000405918.mol (via Jmol)
000405926.b3lyp_6-31g(d).inp

000405926.b3lyp_6-31g(d).qchem.inp (generated)

000405926.b3lyp_6-31g(d).gjf (generated)

000405926.b3lyp_6-31g(d).firefly.inp (generated)

000405926.b3lyp_6-31g(d).smash.inp (generated)

000405926.b3lyp_6-31g(d).nwchem.inp (generated) 000405926.b3lyp_6-31g(d).log.xz 000405926.td-b3lyp_6-31g+(d).inp 000405926.td-b3lyp_6-31g+(d).log.xz

000405926.td-b3lyp_6-31+g(d).qchem.inp (generated)

000405926.td-b3lyp_6-31+g(d).gjf (generated)

000405926.td-b3lyp_6-31+g(d).firefly.inp (generated)

000405926.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000405926.mol 000405926.PUBCHEM 000405926.mol (via Jmol)
000405927.b3lyp_6-31g(d).inp

000405927.b3lyp_6-31g(d).qchem.inp (generated)

000405927.b3lyp_6-31g(d).gjf (generated)

000405927.b3lyp_6-31g(d).firefly.inp (generated)

000405927.b3lyp_6-31g(d).smash.inp (generated)

000405927.b3lyp_6-31g(d).nwchem.inp (generated) 000405927.b3lyp_6-31g(d).log.xz 000405927.td-b3lyp_6-31g+(d).inp 000405927.td-b3lyp_6-31g+(d).log.xz

000405927.td-b3lyp_6-31+g(d).qchem.inp (generated)

000405927.td-b3lyp_6-31+g(d).gjf (generated)

000405927.td-b3lyp_6-31+g(d).firefly.inp (generated)

000405927.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000405927.mol 000405927.PUBCHEM 000405927.mol (via Jmol)
000405928.b3lyp_6-31g(d).inp

000405928.b3lyp_6-31g(d).qchem.inp (generated)

000405928.b3lyp_6-31g(d).gjf (generated)

000405928.b3lyp_6-31g(d).firefly.inp (generated)

000405928.b3lyp_6-31g(d).smash.inp (generated)

000405928.b3lyp_6-31g(d).nwchem.inp (generated) 000405928.b3lyp_6-31g(d).log.xz 000405928.td-b3lyp_6-31g+(d).inp 000405928.td-b3lyp_6-31g+(d).log.xz

000405928.td-b3lyp_6-31+g(d).qchem.inp (generated)

000405928.td-b3lyp_6-31+g(d).gjf (generated)

000405928.td-b3lyp_6-31+g(d).firefly.inp (generated)

000405928.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000405928.mol 000405928.PUBCHEM 000405928.mol (via Jmol)
000405929.b3lyp_6-31g(d).inp

000405929.b3lyp_6-31g(d).qchem.inp (generated)

000405929.b3lyp_6-31g(d).gjf (generated)

000405929.b3lyp_6-31g(d).firefly.inp (generated)

000405929.b3lyp_6-31g(d).smash.inp (generated)

000405929.b3lyp_6-31g(d).nwchem.inp (generated) 000405929.b3lyp_6-31g(d).log.xz 000405929.td-b3lyp_6-31g+(d).inp 000405929.td-b3lyp_6-31g+(d).log.xz

000405929.td-b3lyp_6-31+g(d).qchem.inp (generated)

000405929.td-b3lyp_6-31+g(d).gjf (generated)

000405929.td-b3lyp_6-31+g(d).firefly.inp (generated)

000405929.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000405929.mol 000405929.PUBCHEM 000405929.mol (via Jmol)
000405959.b3lyp_6-31g(d).inp

000405959.b3lyp_6-31g(d).qchem.inp (generated)

000405959.b3lyp_6-31g(d).gjf (generated)

000405959.b3lyp_6-31g(d).firefly.inp (generated)

000405959.b3lyp_6-31g(d).smash.inp (generated)

000405959.b3lyp_6-31g(d).nwchem.inp (generated) 000405959.b3lyp_6-31g(d).log.xz 000405959.td-b3lyp_6-31g+(d).inp 000405959.td-b3lyp_6-31g+(d).log.xz

000405959.td-b3lyp_6-31+g(d).qchem.inp (generated)

000405959.td-b3lyp_6-31+g(d).gjf (generated)

000405959.td-b3lyp_6-31+g(d).firefly.inp (generated)

000405959.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000405959.mol 000405959.PUBCHEM 000405959.mol (via Jmol)
000405960.b3lyp_6-31g(d).inp

000405960.b3lyp_6-31g(d).qchem.inp (generated)

000405960.b3lyp_6-31g(d).gjf (generated)

000405960.b3lyp_6-31g(d).firefly.inp (generated)

000405960.b3lyp_6-31g(d).smash.inp (generated)

000405960.b3lyp_6-31g(d).nwchem.inp (generated) 000405960.b3lyp_6-31g(d).log.xz 000405960.td-b3lyp_6-31g+(d).inp 000405960.td-b3lyp_6-31g+(d).log.xz

000405960.td-b3lyp_6-31+g(d).qchem.inp (generated)

000405960.td-b3lyp_6-31+g(d).gjf (generated)

000405960.td-b3lyp_6-31+g(d).firefly.inp (generated)

000405960.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000405960.mol 000405960.PUBCHEM 000405960.mol (via Jmol)
000405964.b3lyp_6-31g(d).inp

000405964.b3lyp_6-31g(d).qchem.inp (generated)

000405964.b3lyp_6-31g(d).gjf (generated)

000405964.b3lyp_6-31g(d).firefly.inp (generated)

000405964.b3lyp_6-31g(d).smash.inp (generated)

000405964.b3lyp_6-31g(d).nwchem.inp (generated) 000405964.b3lyp_6-31g(d).log.xz 000405964.td-b3lyp_6-31g+(d).inp 000405964.td-b3lyp_6-31g+(d).log.xz

000405964.td-b3lyp_6-31+g(d).qchem.inp (generated)

000405964.td-b3lyp_6-31+g(d).gjf (generated)

000405964.td-b3lyp_6-31+g(d).firefly.inp (generated)

000405964.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000405964.mol 000405964.PUBCHEM 000405964.mol (via Jmol)
000405973.b3lyp_6-31g(d).inp

000405973.b3lyp_6-31g(d).qchem.inp (generated)

000405973.b3lyp_6-31g(d).gjf (generated)

000405973.b3lyp_6-31g(d).firefly.inp (generated)

000405973.b3lyp_6-31g(d).smash.inp (generated)

000405973.b3lyp_6-31g(d).nwchem.inp (generated) 000405973.b3lyp_6-31g(d).log.xz 000405973.td-b3lyp_6-31g+(d).inp 000405973.td-b3lyp_6-31g+(d).log.xz

000405973.td-b3lyp_6-31+g(d).qchem.inp (generated)

000405973.td-b3lyp_6-31+g(d).gjf (generated)

000405973.td-b3lyp_6-31+g(d).firefly.inp (generated)

000405973.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000405973.mol 000405973.PUBCHEM 000405973.mol (via Jmol)
000405995.b3lyp_6-31g(d).inp

000405995.b3lyp_6-31g(d).qchem.inp (generated)

000405995.b3lyp_6-31g(d).gjf (generated)

000405995.b3lyp_6-31g(d).firefly.inp (generated)

000405995.b3lyp_6-31g(d).smash.inp (generated)

000405995.b3lyp_6-31g(d).nwchem.inp (generated) 000405995.b3lyp_6-31g(d).log.xz 000405995.td-b3lyp_6-31g+(d).inp 000405995.td-b3lyp_6-31g+(d).log.xz

000405995.td-b3lyp_6-31+g(d).qchem.inp (generated)

000405995.td-b3lyp_6-31+g(d).gjf (generated)

000405995.td-b3lyp_6-31+g(d).firefly.inp (generated)

000405995.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000405995.mol 000405995.PUBCHEM 000405995.mol (via Jmol)
000405997.b3lyp_6-31g(d).inp

000405997.b3lyp_6-31g(d).qchem.inp (generated)

000405997.b3lyp_6-31g(d).gjf (generated)

000405997.b3lyp_6-31g(d).firefly.inp (generated)

000405997.b3lyp_6-31g(d).smash.inp (generated)

000405997.b3lyp_6-31g(d).nwchem.inp (generated) 000405997.b3lyp_6-31g(d).log.xz 000405997.td-b3lyp_6-31g+(d).inp 000405997.td-b3lyp_6-31g+(d).log.xz

000405997.td-b3lyp_6-31+g(d).qchem.inp (generated)

000405997.td-b3lyp_6-31+g(d).gjf (generated)

000405997.td-b3lyp_6-31+g(d).firefly.inp (generated)

000405997.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000405997.mol 000405997.PUBCHEM 000405997.mol (via Jmol)
000406007.b3lyp_6-31g(d).inp

000406007.b3lyp_6-31g(d).qchem.inp (generated)

000406007.b3lyp_6-31g(d).gjf (generated)

000406007.b3lyp_6-31g(d).firefly.inp (generated)

000406007.b3lyp_6-31g(d).smash.inp (generated)

000406007.b3lyp_6-31g(d).nwchem.inp (generated) 000406007.b3lyp_6-31g(d).log.xz 000406007.td-b3lyp_6-31g+(d).inp 000406007.td-b3lyp_6-31g+(d).log.xz

000406007.td-b3lyp_6-31+g(d).qchem.inp (generated)

000406007.td-b3lyp_6-31+g(d).gjf (generated)

000406007.td-b3lyp_6-31+g(d).firefly.inp (generated)

000406007.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000406007.mol 000406007.PUBCHEM 000406007.mol (via Jmol)
000406048.b3lyp_6-31g(d).inp

000406048.b3lyp_6-31g(d).qchem.inp (generated)

000406048.b3lyp_6-31g(d).gjf (generated)

000406048.b3lyp_6-31g(d).firefly.inp (generated)

000406048.b3lyp_6-31g(d).smash.inp (generated)

000406048.b3lyp_6-31g(d).nwchem.inp (generated) 000406048.b3lyp_6-31g(d).log.xz 000406048.td-b3lyp_6-31g+(d).inp 000406048.td-b3lyp_6-31g+(d).log.xz

000406048.td-b3lyp_6-31+g(d).qchem.inp (generated)

000406048.td-b3lyp_6-31+g(d).gjf (generated)

000406048.td-b3lyp_6-31+g(d).firefly.inp (generated)

000406048.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000406048.mol 000406048.PUBCHEM 000406048.mol (via Jmol)
000406063.b3lyp_6-31g(d).inp

000406063.b3lyp_6-31g(d).qchem.inp (generated)

000406063.b3lyp_6-31g(d).gjf (generated)

000406063.b3lyp_6-31g(d).firefly.inp (generated)

000406063.b3lyp_6-31g(d).smash.inp (generated)

000406063.b3lyp_6-31g(d).nwchem.inp (generated) 000406063.b3lyp_6-31g(d).log.xz 000406063.td-b3lyp_6-31g+(d).inp 000406063.td-b3lyp_6-31g+(d).log.xz

000406063.td-b3lyp_6-31+g(d).qchem.inp (generated)

000406063.td-b3lyp_6-31+g(d).gjf (generated)

000406063.td-b3lyp_6-31+g(d).firefly.inp (generated)

000406063.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000406063.mol 000406063.PUBCHEM 000406063.mol (via Jmol)
000406069.b3lyp_6-31g(d).inp

000406069.b3lyp_6-31g(d).qchem.inp (generated)

000406069.b3lyp_6-31g(d).gjf (generated)

000406069.b3lyp_6-31g(d).firefly.inp (generated)

000406069.b3lyp_6-31g(d).smash.inp (generated)

000406069.b3lyp_6-31g(d).nwchem.inp (generated) 000406069.b3lyp_6-31g(d).log.xz 000406069.td-b3lyp_6-31g+(d).inp 000406069.td-b3lyp_6-31g+(d).log.xz

000406069.td-b3lyp_6-31+g(d).qchem.inp (generated)

000406069.td-b3lyp_6-31+g(d).gjf (generated)

000406069.td-b3lyp_6-31+g(d).firefly.inp (generated)

000406069.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000406069.mol 000406069.PUBCHEM 000406069.mol (via Jmol)
000406078.b3lyp_6-31g(d).inp

000406078.b3lyp_6-31g(d).qchem.inp (generated)

000406078.b3lyp_6-31g(d).gjf (generated)

000406078.b3lyp_6-31g(d).firefly.inp (generated)

000406078.b3lyp_6-31g(d).smash.inp (generated)

000406078.b3lyp_6-31g(d).nwchem.inp (generated) 000406078.b3lyp_6-31g(d).log.xz 000406078.mol 000406078.PUBCHEM 000406078.mol (via Jmol)
000406081.b3lyp_6-31g(d).inp

000406081.b3lyp_6-31g(d).qchem.inp (generated)

000406081.b3lyp_6-31g(d).gjf (generated)

000406081.b3lyp_6-31g(d).firefly.inp (generated)

000406081.b3lyp_6-31g(d).smash.inp (generated)

000406081.b3lyp_6-31g(d).nwchem.inp (generated) 000406081.b3lyp_6-31g(d).log.xz 000406081.td-b3lyp_6-31g+(d).inp 000406081.td-b3lyp_6-31g+(d).log.xz

000406081.td-b3lyp_6-31+g(d).qchem.inp (generated)

000406081.td-b3lyp_6-31+g(d).gjf (generated)

000406081.td-b3lyp_6-31+g(d).firefly.inp (generated)

000406081.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000406081.mol 000406081.PUBCHEM 000406081.mol (via Jmol)
000406083.b3lyp_6-31g(d).inp

000406083.b3lyp_6-31g(d).qchem.inp (generated)

000406083.b3lyp_6-31g(d).gjf (generated)

000406083.b3lyp_6-31g(d).firefly.inp (generated)

000406083.b3lyp_6-31g(d).smash.inp (generated)

000406083.b3lyp_6-31g(d).nwchem.inp (generated) 000406083.b3lyp_6-31g(d).log.xz 000406083.td-b3lyp_6-31g+(d).inp 000406083.td-b3lyp_6-31g+(d).log.xz

000406083.td-b3lyp_6-31+g(d).qchem.inp (generated)

000406083.td-b3lyp_6-31+g(d).gjf (generated)

000406083.td-b3lyp_6-31+g(d).firefly.inp (generated)

000406083.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000406083.mol 000406083.PUBCHEM 000406083.mol (via Jmol)
000406141.b3lyp_6-31g(d).inp

000406141.b3lyp_6-31g(d).qchem.inp (generated)

000406141.b3lyp_6-31g(d).gjf (generated)

000406141.b3lyp_6-31g(d).firefly.inp (generated)

000406141.b3lyp_6-31g(d).smash.inp (generated)

000406141.b3lyp_6-31g(d).nwchem.inp (generated) 000406141.b3lyp_6-31g(d).log.xz 000406141.td-b3lyp_6-31g+(d).inp 000406141.td-b3lyp_6-31g+(d).log.xz

000406141.td-b3lyp_6-31+g(d).qchem.inp (generated)

000406141.td-b3lyp_6-31+g(d).gjf (generated)

000406141.td-b3lyp_6-31+g(d).firefly.inp (generated)

000406141.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000406141.mol 000406141.PUBCHEM 000406141.mol (via Jmol)
000406142.b3lyp_6-31g(d).inp

000406142.b3lyp_6-31g(d).qchem.inp (generated)

000406142.b3lyp_6-31g(d).gjf (generated)

000406142.b3lyp_6-31g(d).firefly.inp (generated)

000406142.b3lyp_6-31g(d).smash.inp (generated)

000406142.b3lyp_6-31g(d).nwchem.inp (generated) 000406142.b3lyp_6-31g(d).log.xz 000406142.td-b3lyp_6-31g+(d).inp 000406142.td-b3lyp_6-31g+(d).log.xz

000406142.td-b3lyp_6-31+g(d).qchem.inp (generated)

000406142.td-b3lyp_6-31+g(d).gjf (generated)

000406142.td-b3lyp_6-31+g(d).firefly.inp (generated)

000406142.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000406142.mol 000406142.PUBCHEM 000406142.mol (via Jmol)
000406146.b3lyp_6-31g(d).inp

000406146.b3lyp_6-31g(d).qchem.inp (generated)

000406146.b3lyp_6-31g(d).gjf (generated)

000406146.b3lyp_6-31g(d).firefly.inp (generated)

000406146.b3lyp_6-31g(d).smash.inp (generated)

000406146.b3lyp_6-31g(d).nwchem.inp (generated) 000406146.b3lyp_6-31g(d).log.xz 000406146.td-b3lyp_6-31g+(d).inp 000406146.td-b3lyp_6-31g+(d).log.xz

000406146.td-b3lyp_6-31+g(d).qchem.inp (generated)

000406146.td-b3lyp_6-31+g(d).gjf (generated)

000406146.td-b3lyp_6-31+g(d).firefly.inp (generated)

000406146.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000406146.mol 000406146.PUBCHEM 000406146.mol (via Jmol)
000406149.b3lyp_6-31g(d).inp

000406149.b3lyp_6-31g(d).qchem.inp (generated)

000406149.b3lyp_6-31g(d).gjf (generated)

000406149.b3lyp_6-31g(d).firefly.inp (generated)

000406149.b3lyp_6-31g(d).smash.inp (generated)

000406149.b3lyp_6-31g(d).nwchem.inp (generated) 000406149.b3lyp_6-31g(d).log.xz 000406149.td-b3lyp_6-31g+(d).inp 000406149.td-b3lyp_6-31g+(d).log.xz

000406149.td-b3lyp_6-31+g(d).qchem.inp (generated)

000406149.td-b3lyp_6-31+g(d).gjf (generated)

000406149.td-b3lyp_6-31+g(d).firefly.inp (generated)

000406149.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000406149.mol 000406149.PUBCHEM 000406149.mol (via Jmol)
000406150.b3lyp_6-31g(d).inp

000406150.b3lyp_6-31g(d).qchem.inp (generated)

000406150.b3lyp_6-31g(d).gjf (generated)

000406150.b3lyp_6-31g(d).firefly.inp (generated)

000406150.b3lyp_6-31g(d).smash.inp (generated)

000406150.b3lyp_6-31g(d).nwchem.inp (generated) 000406150.b3lyp_6-31g(d).log.xz 000406150.td-b3lyp_6-31g+(d).inp 000406150.td-b3lyp_6-31g+(d).log.xz

000406150.td-b3lyp_6-31+g(d).qchem.inp (generated)

000406150.td-b3lyp_6-31+g(d).gjf (generated)

000406150.td-b3lyp_6-31+g(d).firefly.inp (generated)

000406150.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000406150.mol 000406150.PUBCHEM 000406150.mol (via Jmol)
000406151.b3lyp_6-31g(d).inp

000406151.b3lyp_6-31g(d).qchem.inp (generated)

000406151.b3lyp_6-31g(d).gjf (generated)

000406151.b3lyp_6-31g(d).firefly.inp (generated)

000406151.b3lyp_6-31g(d).smash.inp (generated)

000406151.b3lyp_6-31g(d).nwchem.inp (generated) 000406151.b3lyp_6-31g(d).log.xz 000406151.td-b3lyp_6-31g+(d).inp 000406151.td-b3lyp_6-31g+(d).log.xz

000406151.td-b3lyp_6-31+g(d).qchem.inp (generated)

000406151.td-b3lyp_6-31+g(d).gjf (generated)

000406151.td-b3lyp_6-31+g(d).firefly.inp (generated)

000406151.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000406151.mol 000406151.PUBCHEM 000406151.mol (via Jmol)
000406202.b3lyp_6-31g(d).inp

000406202.b3lyp_6-31g(d).qchem.inp (generated)

000406202.b3lyp_6-31g(d).gjf (generated)

000406202.b3lyp_6-31g(d).firefly.inp (generated)

000406202.b3lyp_6-31g(d).smash.inp (generated)

000406202.b3lyp_6-31g(d).nwchem.inp (generated) 000406202.b3lyp_6-31g(d).log.xz 000406202.td-b3lyp_6-31g+(d).inp 000406202.td-b3lyp_6-31g+(d).log.xz

000406202.td-b3lyp_6-31+g(d).qchem.inp (generated)

000406202.td-b3lyp_6-31+g(d).gjf (generated)

000406202.td-b3lyp_6-31+g(d).firefly.inp (generated)

000406202.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000406202.mol 000406202.PUBCHEM 000406202.mol (via Jmol)
000406208.b3lyp_6-31g(d).inp

000406208.b3lyp_6-31g(d).qchem.inp (generated)

000406208.b3lyp_6-31g(d).gjf (generated)

000406208.b3lyp_6-31g(d).firefly.inp (generated)

000406208.b3lyp_6-31g(d).smash.inp (generated)

000406208.b3lyp_6-31g(d).nwchem.inp (generated) 000406208.b3lyp_6-31g(d).log.xz 000406208.mol 000406208.PUBCHEM 000406208.mol (via Jmol)
000406227.b3lyp_6-31g(d).inp

000406227.b3lyp_6-31g(d).qchem.inp (generated)

000406227.b3lyp_6-31g(d).gjf (generated)

000406227.b3lyp_6-31g(d).firefly.inp (generated)

000406227.b3lyp_6-31g(d).smash.inp (generated)

000406227.b3lyp_6-31g(d).nwchem.inp (generated) 000406227.b3lyp_6-31g(d).log.xz 000406227.td-b3lyp_6-31g+(d).inp 000406227.td-b3lyp_6-31g+(d).log.xz

000406227.td-b3lyp_6-31+g(d).qchem.inp (generated)

000406227.td-b3lyp_6-31+g(d).gjf (generated)

000406227.td-b3lyp_6-31+g(d).firefly.inp (generated)

000406227.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000406227.mol 000406227.PUBCHEM 000406227.mol (via Jmol)
000406228.b3lyp_6-31g(d).inp

000406228.b3lyp_6-31g(d).qchem.inp (generated)

000406228.b3lyp_6-31g(d).gjf (generated)

000406228.b3lyp_6-31g(d).firefly.inp (generated)

000406228.b3lyp_6-31g(d).smash.inp (generated)

000406228.b3lyp_6-31g(d).nwchem.inp (generated) 000406228.b3lyp_6-31g(d).log.xz 000406228.td-b3lyp_6-31g+(d).inp 000406228.td-b3lyp_6-31g+(d).log.xz

000406228.td-b3lyp_6-31+g(d).qchem.inp (generated)

000406228.td-b3lyp_6-31+g(d).gjf (generated)

000406228.td-b3lyp_6-31+g(d).firefly.inp (generated)

000406228.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000406228.mol 000406228.PUBCHEM 000406228.mol (via Jmol)
000406307.b3lyp_6-31g(d).inp

000406307.b3lyp_6-31g(d).qchem.inp (generated)

000406307.b3lyp_6-31g(d).gjf (generated)

000406307.b3lyp_6-31g(d).firefly.inp (generated)

000406307.b3lyp_6-31g(d).smash.inp (generated)

000406307.b3lyp_6-31g(d).nwchem.inp (generated) 000406307.b3lyp_6-31g(d).log.xz 000406307.td-b3lyp_6-31g+(d).inp 000406307.td-b3lyp_6-31g+(d).log.xz

000406307.td-b3lyp_6-31+g(d).qchem.inp (generated)

000406307.td-b3lyp_6-31+g(d).gjf (generated)

000406307.td-b3lyp_6-31+g(d).firefly.inp (generated)

000406307.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000406307.mol 000406307.PUBCHEM 000406307.mol (via Jmol)
000406308.b3lyp_6-31g(d).inp

000406308.b3lyp_6-31g(d).qchem.inp (generated)

000406308.b3lyp_6-31g(d).gjf (generated)

000406308.b3lyp_6-31g(d).firefly.inp (generated)

000406308.b3lyp_6-31g(d).smash.inp (generated)

000406308.b3lyp_6-31g(d).nwchem.inp (generated) 000406308.b3lyp_6-31g(d).log.xz 000406308.td-b3lyp_6-31g+(d).inp 000406308.td-b3lyp_6-31g+(d).log.xz

000406308.td-b3lyp_6-31+g(d).qchem.inp (generated)

000406308.td-b3lyp_6-31+g(d).gjf (generated)

000406308.td-b3lyp_6-31+g(d).firefly.inp (generated)

000406308.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000406308.mol 000406308.PUBCHEM 000406308.mol (via Jmol)
000406334.b3lyp_6-31g(d).inp

000406334.b3lyp_6-31g(d).qchem.inp (generated)

000406334.b3lyp_6-31g(d).gjf (generated)

000406334.b3lyp_6-31g(d).firefly.inp (generated)

000406334.b3lyp_6-31g(d).smash.inp (generated)

000406334.b3lyp_6-31g(d).nwchem.inp (generated) 000406334.b3lyp_6-31g(d).log.xz 000406334.td-b3lyp_6-31g+(d).inp 000406334.td-b3lyp_6-31g+(d).log.xz

000406334.td-b3lyp_6-31+g(d).qchem.inp (generated)

000406334.td-b3lyp_6-31+g(d).gjf (generated)

000406334.td-b3lyp_6-31+g(d).firefly.inp (generated)

000406334.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000406334.mol 000406334.PUBCHEM 000406334.mol (via Jmol)
000406335.b3lyp_6-31g(d).inp

000406335.b3lyp_6-31g(d).qchem.inp (generated)

000406335.b3lyp_6-31g(d).gjf (generated)

000406335.b3lyp_6-31g(d).firefly.inp (generated)

000406335.b3lyp_6-31g(d).smash.inp (generated)

000406335.b3lyp_6-31g(d).nwchem.inp (generated) 000406335.b3lyp_6-31g(d).log.xz 000406335.td-b3lyp_6-31g+(d).inp 000406335.td-b3lyp_6-31g+(d).log.xz

000406335.td-b3lyp_6-31+g(d).qchem.inp (generated)

000406335.td-b3lyp_6-31+g(d).gjf (generated)

000406335.td-b3lyp_6-31+g(d).firefly.inp (generated)

000406335.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000406335.mol 000406335.PUBCHEM 000406335.mol (via Jmol)
000406357.b3lyp_6-31g(d).inp

000406357.b3lyp_6-31g(d).qchem.inp (generated)

000406357.b3lyp_6-31g(d).gjf (generated)

000406357.b3lyp_6-31g(d).firefly.inp (generated)

000406357.b3lyp_6-31g(d).smash.inp (generated)

000406357.b3lyp_6-31g(d).nwchem.inp (generated) 000406357.b3lyp_6-31g(d).log.xz 000406357.td-b3lyp_6-31g+(d).inp 000406357.td-b3lyp_6-31g+(d).log.xz

000406357.td-b3lyp_6-31+g(d).qchem.inp (generated)

000406357.td-b3lyp_6-31+g(d).gjf (generated)

000406357.td-b3lyp_6-31+g(d).firefly.inp (generated)

000406357.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000406357.mol 000406357.PUBCHEM 000406357.mol (via Jmol)
000406361.b3lyp_6-31g(d).inp

000406361.b3lyp_6-31g(d).qchem.inp (generated)

000406361.b3lyp_6-31g(d).gjf (generated)

000406361.b3lyp_6-31g(d).firefly.inp (generated)

000406361.b3lyp_6-31g(d).smash.inp (generated)

000406361.b3lyp_6-31g(d).nwchem.inp (generated) 000406361.b3lyp_6-31g(d).log.xz 000406361.td-b3lyp_6-31g+(d).inp 000406361.td-b3lyp_6-31g+(d).log.xz

000406361.td-b3lyp_6-31+g(d).qchem.inp (generated)

000406361.td-b3lyp_6-31+g(d).gjf (generated)

000406361.td-b3lyp_6-31+g(d).firefly.inp (generated)

000406361.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000406361.mol 000406361.PUBCHEM 000406361.mol (via Jmol)
000406384.b3lyp_6-31g(d).inp

000406384.b3lyp_6-31g(d).qchem.inp (generated)

000406384.b3lyp_6-31g(d).gjf (generated)

000406384.b3lyp_6-31g(d).firefly.inp (generated)

000406384.b3lyp_6-31g(d).smash.inp (generated)

000406384.b3lyp_6-31g(d).nwchem.inp (generated) 000406384.b3lyp_6-31g(d).log.xz 000406384.td-b3lyp_6-31g+(d).inp 000406384.td-b3lyp_6-31g+(d).log.xz

000406384.td-b3lyp_6-31+g(d).qchem.inp (generated)

000406384.td-b3lyp_6-31+g(d).gjf (generated)

000406384.td-b3lyp_6-31+g(d).firefly.inp (generated)

000406384.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000406384.mol 000406384.PUBCHEM 000406384.mol (via Jmol)
000406389.b3lyp_6-31g(d).inp

000406389.b3lyp_6-31g(d).qchem.inp (generated)

000406389.b3lyp_6-31g(d).gjf (generated)

000406389.b3lyp_6-31g(d).firefly.inp (generated)

000406389.b3lyp_6-31g(d).smash.inp (generated)

000406389.b3lyp_6-31g(d).nwchem.inp (generated) 000406389.b3lyp_6-31g(d).log.xz 000406389.td-b3lyp_6-31g+(d).inp 000406389.td-b3lyp_6-31g+(d).log.xz

000406389.td-b3lyp_6-31+g(d).qchem.inp (generated)

000406389.td-b3lyp_6-31+g(d).gjf (generated)

000406389.td-b3lyp_6-31+g(d).firefly.inp (generated)

000406389.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000406389.mol 000406389.PUBCHEM 000406389.mol (via Jmol)
000406427.b3lyp_6-31g(d).inp

000406427.b3lyp_6-31g(d).qchem.inp (generated)

000406427.b3lyp_6-31g(d).gjf (generated)

000406427.b3lyp_6-31g(d).firefly.inp (generated)

000406427.b3lyp_6-31g(d).smash.inp (generated)

000406427.b3lyp_6-31g(d).nwchem.inp (generated) 000406427.b3lyp_6-31g(d).log.xz 000406427.td-b3lyp_6-31g+(d).inp 000406427.td-b3lyp_6-31g+(d).log.xz

000406427.td-b3lyp_6-31+g(d).qchem.inp (generated)

000406427.td-b3lyp_6-31+g(d).gjf (generated)

000406427.td-b3lyp_6-31+g(d).firefly.inp (generated)

000406427.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000406427.mol 000406427.PUBCHEM 000406427.mol (via Jmol)
000406475.b3lyp_6-31g(d).inp

000406475.b3lyp_6-31g(d).qchem.inp (generated)

000406475.b3lyp_6-31g(d).gjf (generated)

000406475.b3lyp_6-31g(d).firefly.inp (generated)

000406475.b3lyp_6-31g(d).smash.inp (generated)

000406475.b3lyp_6-31g(d).nwchem.inp (generated) 000406475.b3lyp_6-31g(d).log.xz 000406475.td-b3lyp_6-31g+(d).inp 000406475.td-b3lyp_6-31g+(d).log.xz

000406475.td-b3lyp_6-31+g(d).qchem.inp (generated)

000406475.td-b3lyp_6-31+g(d).gjf (generated)

000406475.td-b3lyp_6-31+g(d).firefly.inp (generated)

000406475.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000406475.mol 000406475.PUBCHEM 000406475.mol (via Jmol)
000406476.b3lyp_6-31g(d).inp

000406476.b3lyp_6-31g(d).qchem.inp (generated)

000406476.b3lyp_6-31g(d).gjf (generated)

000406476.b3lyp_6-31g(d).firefly.inp (generated)

000406476.b3lyp_6-31g(d).smash.inp (generated)

000406476.b3lyp_6-31g(d).nwchem.inp (generated) 000406476.b3lyp_6-31g(d).log.xz 000406476.td-b3lyp_6-31g+(d).inp 000406476.td-b3lyp_6-31g+(d).log.xz

000406476.td-b3lyp_6-31+g(d).qchem.inp (generated)

000406476.td-b3lyp_6-31+g(d).gjf (generated)

000406476.td-b3lyp_6-31+g(d).firefly.inp (generated)

000406476.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000406476.mol 000406476.PUBCHEM 000406476.mol (via Jmol)
000406557.b3lyp_6-31g(d).inp

000406557.b3lyp_6-31g(d).qchem.inp (generated)

000406557.b3lyp_6-31g(d).gjf (generated)

000406557.b3lyp_6-31g(d).firefly.inp (generated)

000406557.b3lyp_6-31g(d).smash.inp (generated)

000406557.b3lyp_6-31g(d).nwchem.inp (generated) 000406557.b3lyp_6-31g(d).log.xz 000406557.td-b3lyp_6-31g+(d).inp 000406557.td-b3lyp_6-31g+(d).log.xz

000406557.td-b3lyp_6-31+g(d).qchem.inp (generated)

000406557.td-b3lyp_6-31+g(d).gjf (generated)

000406557.td-b3lyp_6-31+g(d).firefly.inp (generated)

000406557.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000406557.mol 000406557.PUBCHEM 000406557.mol (via Jmol)
000406583.b3lyp_6-31g(d).inp

000406583.b3lyp_6-31g(d).qchem.inp (generated)

000406583.b3lyp_6-31g(d).gjf (generated)

000406583.b3lyp_6-31g(d).firefly.inp (generated)

000406583.b3lyp_6-31g(d).smash.inp (generated)

000406583.b3lyp_6-31g(d).nwchem.inp (generated) 000406583.b3lyp_6-31g(d).log.xz 000406583.td-b3lyp_6-31g+(d).inp 000406583.td-b3lyp_6-31g+(d).log.xz

000406583.td-b3lyp_6-31+g(d).qchem.inp (generated)

000406583.td-b3lyp_6-31+g(d).gjf (generated)

000406583.td-b3lyp_6-31+g(d).firefly.inp (generated)

000406583.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000406583.mol 000406583.PUBCHEM 000406583.mol (via Jmol)
000406589.b3lyp_6-31g(d).inp

000406589.b3lyp_6-31g(d).qchem.inp (generated)

000406589.b3lyp_6-31g(d).gjf (generated)

000406589.b3lyp_6-31g(d).firefly.inp (generated)

000406589.b3lyp_6-31g(d).smash.inp (generated)

000406589.b3lyp_6-31g(d).nwchem.inp (generated) 000406589.b3lyp_6-31g(d).log.xz 000406589.td-b3lyp_6-31g+(d).inp 000406589.td-b3lyp_6-31g+(d).log.xz

000406589.td-b3lyp_6-31+g(d).qchem.inp (generated)

000406589.td-b3lyp_6-31+g(d).gjf (generated)

000406589.td-b3lyp_6-31+g(d).firefly.inp (generated)

000406589.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000406589.mol 000406589.PUBCHEM 000406589.mol (via Jmol)
000406590.b3lyp_6-31g(d).inp

000406590.b3lyp_6-31g(d).qchem.inp (generated)

000406590.b3lyp_6-31g(d).gjf (generated)

000406590.b3lyp_6-31g(d).firefly.inp (generated)

000406590.b3lyp_6-31g(d).smash.inp (generated)

000406590.b3lyp_6-31g(d).nwchem.inp (generated) 000406590.b3lyp_6-31g(d).log.xz 000406590.td-b3lyp_6-31g+(d).inp 000406590.td-b3lyp_6-31g+(d).log.xz

000406590.td-b3lyp_6-31+g(d).qchem.inp (generated)

000406590.td-b3lyp_6-31+g(d).gjf (generated)

000406590.td-b3lyp_6-31+g(d).firefly.inp (generated)

000406590.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000406590.mol 000406590.PUBCHEM 000406590.mol (via Jmol)
000406591.b3lyp_6-31g(d).inp

000406591.b3lyp_6-31g(d).qchem.inp (generated)

000406591.b3lyp_6-31g(d).gjf (generated)

000406591.b3lyp_6-31g(d).firefly.inp (generated)

000406591.b3lyp_6-31g(d).smash.inp (generated)

000406591.b3lyp_6-31g(d).nwchem.inp (generated) 000406591.b3lyp_6-31g(d).log.xz 000406591.td-b3lyp_6-31g+(d).inp 000406591.td-b3lyp_6-31g+(d).log.xz

000406591.td-b3lyp_6-31+g(d).qchem.inp (generated)

000406591.td-b3lyp_6-31+g(d).gjf (generated)

000406591.td-b3lyp_6-31+g(d).firefly.inp (generated)

000406591.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000406591.mol 000406591.PUBCHEM 000406591.mol (via Jmol)
000406592.b3lyp_6-31g(d).inp

000406592.b3lyp_6-31g(d).qchem.inp (generated)

000406592.b3lyp_6-31g(d).gjf (generated)

000406592.b3lyp_6-31g(d).firefly.inp (generated)

000406592.b3lyp_6-31g(d).smash.inp (generated)

000406592.b3lyp_6-31g(d).nwchem.inp (generated) 000406592.b3lyp_6-31g(d).log.xz 000406592.td-b3lyp_6-31g+(d).inp 000406592.td-b3lyp_6-31g+(d).log.xz

000406592.td-b3lyp_6-31+g(d).qchem.inp (generated)

000406592.td-b3lyp_6-31+g(d).gjf (generated)

000406592.td-b3lyp_6-31+g(d).firefly.inp (generated)

000406592.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000406592.mol 000406592.PUBCHEM 000406592.mol (via Jmol)
000406593.b3lyp_6-31g(d).inp

000406593.b3lyp_6-31g(d).qchem.inp (generated)

000406593.b3lyp_6-31g(d).gjf (generated)

000406593.b3lyp_6-31g(d).firefly.inp (generated)

000406593.b3lyp_6-31g(d).smash.inp (generated)

000406593.b3lyp_6-31g(d).nwchem.inp (generated) 000406593.b3lyp_6-31g(d).log.xz 000406593.td-b3lyp_6-31g+(d).inp 000406593.td-b3lyp_6-31g+(d).log.xz

000406593.td-b3lyp_6-31+g(d).qchem.inp (generated)

000406593.td-b3lyp_6-31+g(d).gjf (generated)

000406593.td-b3lyp_6-31+g(d).firefly.inp (generated)

000406593.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000406593.mol 000406593.PUBCHEM 000406593.mol (via Jmol)
000406597.b3lyp_6-31g(d).inp

000406597.b3lyp_6-31g(d).qchem.inp (generated)

000406597.b3lyp_6-31g(d).gjf (generated)

000406597.b3lyp_6-31g(d).firefly.inp (generated)

000406597.b3lyp_6-31g(d).smash.inp (generated)

000406597.b3lyp_6-31g(d).nwchem.inp (generated) 000406597.b3lyp_6-31g(d).log.xz 000406597.td-b3lyp_6-31g+(d).inp 000406597.td-b3lyp_6-31g+(d).log.xz

000406597.td-b3lyp_6-31+g(d).qchem.inp (generated)

000406597.td-b3lyp_6-31+g(d).gjf (generated)

000406597.td-b3lyp_6-31+g(d).firefly.inp (generated)

000406597.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000406597.mol 000406597.PUBCHEM 000406597.mol (via Jmol)
000406598.b3lyp_6-31g(d).inp

000406598.b3lyp_6-31g(d).qchem.inp (generated)

000406598.b3lyp_6-31g(d).gjf (generated)

000406598.b3lyp_6-31g(d).firefly.inp (generated)

000406598.b3lyp_6-31g(d).smash.inp (generated)

000406598.b3lyp_6-31g(d).nwchem.inp (generated) 000406598.b3lyp_6-31g(d).log.xz 000406598.td-b3lyp_6-31g+(d).inp 000406598.td-b3lyp_6-31g+(d).log.xz

000406598.td-b3lyp_6-31+g(d).qchem.inp (generated)

000406598.td-b3lyp_6-31+g(d).gjf (generated)

000406598.td-b3lyp_6-31+g(d).firefly.inp (generated)

000406598.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000406598.mol 000406598.PUBCHEM 000406598.mol (via Jmol)
000406614.b3lyp_6-31g(d).inp

000406614.b3lyp_6-31g(d).qchem.inp (generated)

000406614.b3lyp_6-31g(d).gjf (generated)

000406614.b3lyp_6-31g(d).firefly.inp (generated)

000406614.b3lyp_6-31g(d).smash.inp (generated)

000406614.b3lyp_6-31g(d).nwchem.inp (generated) 000406614.b3lyp_6-31g(d).log.xz 000406614.td-b3lyp_6-31g+(d).inp 000406614.td-b3lyp_6-31g+(d).log.xz

000406614.td-b3lyp_6-31+g(d).qchem.inp (generated)

000406614.td-b3lyp_6-31+g(d).gjf (generated)

000406614.td-b3lyp_6-31+g(d).firefly.inp (generated)

000406614.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000406614.mol 000406614.PUBCHEM 000406614.mol (via Jmol)
000406685.b3lyp_6-31g(d).inp

000406685.b3lyp_6-31g(d).qchem.inp (generated)

000406685.b3lyp_6-31g(d).gjf (generated)

000406685.b3lyp_6-31g(d).firefly.inp (generated)

000406685.b3lyp_6-31g(d).smash.inp (generated)

000406685.b3lyp_6-31g(d).nwchem.inp (generated) 000406685.b3lyp_6-31g(d).log.xz 000406685.td-b3lyp_6-31g+(d).inp 000406685.td-b3lyp_6-31g+(d).log.xz

000406685.td-b3lyp_6-31+g(d).qchem.inp (generated)

000406685.td-b3lyp_6-31+g(d).gjf (generated)

000406685.td-b3lyp_6-31+g(d).firefly.inp (generated)

000406685.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000406685.mol 000406685.PUBCHEM 000406685.mol (via Jmol)
000406689.b3lyp_6-31g(d).inp

000406689.b3lyp_6-31g(d).qchem.inp (generated)

000406689.b3lyp_6-31g(d).gjf (generated)

000406689.b3lyp_6-31g(d).firefly.inp (generated)

000406689.b3lyp_6-31g(d).smash.inp (generated)

000406689.b3lyp_6-31g(d).nwchem.inp (generated) 000406689.b3lyp_6-31g(d).log.xz 000406689.td-b3lyp_6-31g+(d).inp 000406689.td-b3lyp_6-31g+(d).log.xz

000406689.td-b3lyp_6-31+g(d).qchem.inp (generated)

000406689.td-b3lyp_6-31+g(d).gjf (generated)

000406689.td-b3lyp_6-31+g(d).firefly.inp (generated)

000406689.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000406689.mol 000406689.PUBCHEM 000406689.mol (via Jmol)
000406697.b3lyp_6-31g(d).inp

000406697.b3lyp_6-31g(d).qchem.inp (generated)

000406697.b3lyp_6-31g(d).gjf (generated)

000406697.b3lyp_6-31g(d).firefly.inp (generated)

000406697.b3lyp_6-31g(d).smash.inp (generated)

000406697.b3lyp_6-31g(d).nwchem.inp (generated) 000406697.b3lyp_6-31g(d).log.xz 000406697.td-b3lyp_6-31g+(d).inp 000406697.td-b3lyp_6-31g+(d).log.xz

000406697.td-b3lyp_6-31+g(d).qchem.inp (generated)

000406697.td-b3lyp_6-31+g(d).gjf (generated)

000406697.td-b3lyp_6-31+g(d).firefly.inp (generated)

000406697.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000406697.mol 000406697.PUBCHEM 000406697.mol (via Jmol)
000406701.b3lyp_6-31g(d).inp

000406701.b3lyp_6-31g(d).qchem.inp (generated)

000406701.b3lyp_6-31g(d).gjf (generated)

000406701.b3lyp_6-31g(d).firefly.inp (generated)

000406701.b3lyp_6-31g(d).smash.inp (generated)

000406701.b3lyp_6-31g(d).nwchem.inp (generated) 000406701.b3lyp_6-31g(d).log.xz 000406701.td-b3lyp_6-31g+(d).inp 000406701.td-b3lyp_6-31g+(d).log.xz

000406701.td-b3lyp_6-31+g(d).qchem.inp (generated)

000406701.td-b3lyp_6-31+g(d).gjf (generated)

000406701.td-b3lyp_6-31+g(d).firefly.inp (generated)

000406701.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000406701.mol 000406701.PUBCHEM 000406701.mol (via Jmol)
000406753.b3lyp_6-31g(d).inp

000406753.b3lyp_6-31g(d).qchem.inp (generated)

000406753.b3lyp_6-31g(d).gjf (generated)

000406753.b3lyp_6-31g(d).firefly.inp (generated)

000406753.b3lyp_6-31g(d).smash.inp (generated)

000406753.b3lyp_6-31g(d).nwchem.inp (generated) 000406753.b3lyp_6-31g(d).log.xz 000406753.td-b3lyp_6-31g+(d).inp 000406753.td-b3lyp_6-31g+(d).log.xz

000406753.td-b3lyp_6-31+g(d).qchem.inp (generated)

000406753.td-b3lyp_6-31+g(d).gjf (generated)

000406753.td-b3lyp_6-31+g(d).firefly.inp (generated)

000406753.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000406753.mol 000406753.PUBCHEM 000406753.mol (via Jmol)
000406819.b3lyp_6-31g(d).inp

000406819.b3lyp_6-31g(d).qchem.inp (generated)

000406819.b3lyp_6-31g(d).gjf (generated)

000406819.b3lyp_6-31g(d).firefly.inp (generated)

000406819.b3lyp_6-31g(d).smash.inp (generated)

000406819.b3lyp_6-31g(d).nwchem.inp (generated) 000406819.b3lyp_6-31g(d).log.xz 000406819.mol 000406819.PUBCHEM 000406819.mol (via Jmol)
000406908.b3lyp_6-31g(d).inp

000406908.b3lyp_6-31g(d).qchem.inp (generated)

000406908.b3lyp_6-31g(d).gjf (generated)

000406908.b3lyp_6-31g(d).firefly.inp (generated)

000406908.b3lyp_6-31g(d).smash.inp (generated)

000406908.b3lyp_6-31g(d).nwchem.inp (generated) 000406908.b3lyp_6-31g(d).log.xz 000406908.td-b3lyp_6-31g+(d).inp 000406908.td-b3lyp_6-31g+(d).log.xz

000406908.td-b3lyp_6-31+g(d).qchem.inp (generated)

000406908.td-b3lyp_6-31+g(d).gjf (generated)

000406908.td-b3lyp_6-31+g(d).firefly.inp (generated)

000406908.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000406908.mol 000406908.PUBCHEM 000406908.mol (via Jmol)
000406960.b3lyp_6-31g(d).inp

000406960.b3lyp_6-31g(d).qchem.inp (generated)

000406960.b3lyp_6-31g(d).gjf (generated)

000406960.b3lyp_6-31g(d).firefly.inp (generated)

000406960.b3lyp_6-31g(d).smash.inp (generated)

000406960.b3lyp_6-31g(d).nwchem.inp (generated) 000406960.b3lyp_6-31g(d).log.xz 000406960.td-b3lyp_6-31g+(d).inp 000406960.td-b3lyp_6-31g+(d).log.xz

000406960.td-b3lyp_6-31+g(d).qchem.inp (generated)

000406960.td-b3lyp_6-31+g(d).gjf (generated)

000406960.td-b3lyp_6-31+g(d).firefly.inp (generated)

000406960.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000406960.mol 000406960.PUBCHEM 000406960.mol (via Jmol)
000406961.b3lyp_6-31g(d).inp

000406961.b3lyp_6-31g(d).qchem.inp (generated)

000406961.b3lyp_6-31g(d).gjf (generated)

000406961.b3lyp_6-31g(d).firefly.inp (generated)

000406961.b3lyp_6-31g(d).smash.inp (generated)

000406961.b3lyp_6-31g(d).nwchem.inp (generated) 000406961.b3lyp_6-31g(d).log.xz 000406961.td-b3lyp_6-31g+(d).inp 000406961.td-b3lyp_6-31g+(d).log.xz

000406961.td-b3lyp_6-31+g(d).qchem.inp (generated)

000406961.td-b3lyp_6-31+g(d).gjf (generated)

000406961.td-b3lyp_6-31+g(d).firefly.inp (generated)

000406961.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000406961.mol 000406961.PUBCHEM 000406961.mol (via Jmol)
000406963.b3lyp_6-31g(d).inp

000406963.b3lyp_6-31g(d).qchem.inp (generated)

000406963.b3lyp_6-31g(d).gjf (generated)

000406963.b3lyp_6-31g(d).firefly.inp (generated)

000406963.b3lyp_6-31g(d).smash.inp (generated)

000406963.b3lyp_6-31g(d).nwchem.inp (generated) 000406963.b3lyp_6-31g(d).log.xz 000406963.td-b3lyp_6-31g+(d).inp 000406963.td-b3lyp_6-31g+(d).log.xz

000406963.td-b3lyp_6-31+g(d).qchem.inp (generated)

000406963.td-b3lyp_6-31+g(d).gjf (generated)

000406963.td-b3lyp_6-31+g(d).firefly.inp (generated)

000406963.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000406963.mol 000406963.PUBCHEM 000406963.mol (via Jmol)
000406966.b3lyp_6-31g(d).inp

000406966.b3lyp_6-31g(d).qchem.inp (generated)

000406966.b3lyp_6-31g(d).gjf (generated)

000406966.b3lyp_6-31g(d).firefly.inp (generated)

000406966.b3lyp_6-31g(d).smash.inp (generated)

000406966.b3lyp_6-31g(d).nwchem.inp (generated) 000406966.b3lyp_6-31g(d).log.xz 000406966.td-b3lyp_6-31g+(d).inp 000406966.td-b3lyp_6-31g+(d).log.xz

000406966.td-b3lyp_6-31+g(d).qchem.inp (generated)

000406966.td-b3lyp_6-31+g(d).gjf (generated)

000406966.td-b3lyp_6-31+g(d).firefly.inp (generated)

000406966.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000406966.mol 000406966.PUBCHEM 000406966.mol (via Jmol)
000406967.b3lyp_6-31g(d).inp

000406967.b3lyp_6-31g(d).qchem.inp (generated)

000406967.b3lyp_6-31g(d).gjf (generated)

000406967.b3lyp_6-31g(d).firefly.inp (generated)

000406967.b3lyp_6-31g(d).smash.inp (generated)

000406967.b3lyp_6-31g(d).nwchem.inp (generated) 000406967.b3lyp_6-31g(d).log.xz 000406967.td-b3lyp_6-31g+(d).inp 000406967.td-b3lyp_6-31g+(d).log.xz

000406967.td-b3lyp_6-31+g(d).qchem.inp (generated)

000406967.td-b3lyp_6-31+g(d).gjf (generated)

000406967.td-b3lyp_6-31+g(d).firefly.inp (generated)

000406967.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000406967.mol 000406967.PUBCHEM 000406967.mol (via Jmol)
000406968.b3lyp_6-31g(d).inp

000406968.b3lyp_6-31g(d).qchem.inp (generated)

000406968.b3lyp_6-31g(d).gjf (generated)

000406968.b3lyp_6-31g(d).firefly.inp (generated)

000406968.b3lyp_6-31g(d).smash.inp (generated)

000406968.b3lyp_6-31g(d).nwchem.inp (generated) 000406968.b3lyp_6-31g(d).log.xz 000406968.td-b3lyp_6-31g+(d).inp 000406968.td-b3lyp_6-31g+(d).log.xz

000406968.td-b3lyp_6-31+g(d).qchem.inp (generated)

000406968.td-b3lyp_6-31+g(d).gjf (generated)

000406968.td-b3lyp_6-31+g(d).firefly.inp (generated)

000406968.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000406968.mol 000406968.PUBCHEM 000406968.mol (via Jmol)
000406970.b3lyp_6-31g(d).inp

000406970.b3lyp_6-31g(d).qchem.inp (generated)

000406970.b3lyp_6-31g(d).gjf (generated)

000406970.b3lyp_6-31g(d).firefly.inp (generated)

000406970.b3lyp_6-31g(d).smash.inp (generated)

000406970.b3lyp_6-31g(d).nwchem.inp (generated) 000406970.b3lyp_6-31g(d).log.xz 000406970.td-b3lyp_6-31g+(d).inp 000406970.td-b3lyp_6-31g+(d).log.xz

000406970.td-b3lyp_6-31+g(d).qchem.inp (generated)

000406970.td-b3lyp_6-31+g(d).gjf (generated)

000406970.td-b3lyp_6-31+g(d).firefly.inp (generated)

000406970.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000406970.mol 000406970.PUBCHEM 000406970.mol (via Jmol)
000406971.b3lyp_6-31g(d).inp

000406971.b3lyp_6-31g(d).qchem.inp (generated)

000406971.b3lyp_6-31g(d).gjf (generated)

000406971.b3lyp_6-31g(d).firefly.inp (generated)

000406971.b3lyp_6-31g(d).smash.inp (generated)

000406971.b3lyp_6-31g(d).nwchem.inp (generated) 000406971.b3lyp_6-31g(d).log.xz 000406971.td-b3lyp_6-31g+(d).inp 000406971.td-b3lyp_6-31g+(d).log.xz

000406971.td-b3lyp_6-31+g(d).qchem.inp (generated)

000406971.td-b3lyp_6-31+g(d).gjf (generated)

000406971.td-b3lyp_6-31+g(d).firefly.inp (generated)

000406971.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000406971.mol 000406971.PUBCHEM 000406971.mol (via Jmol)
000406972.b3lyp_6-31g(d).inp

000406972.b3lyp_6-31g(d).qchem.inp (generated)

000406972.b3lyp_6-31g(d).gjf (generated)

000406972.b3lyp_6-31g(d).firefly.inp (generated)

000406972.b3lyp_6-31g(d).smash.inp (generated)

000406972.b3lyp_6-31g(d).nwchem.inp (generated) 000406972.b3lyp_6-31g(d).log.xz 000406972.td-b3lyp_6-31g+(d).inp 000406972.td-b3lyp_6-31g+(d).log.xz

000406972.td-b3lyp_6-31+g(d).qchem.inp (generated)

000406972.td-b3lyp_6-31+g(d).gjf (generated)

000406972.td-b3lyp_6-31+g(d).firefly.inp (generated)

000406972.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000406972.mol 000406972.PUBCHEM 000406972.mol (via Jmol)
000406973.b3lyp_6-31g(d).inp

000406973.b3lyp_6-31g(d).qchem.inp (generated)

000406973.b3lyp_6-31g(d).gjf (generated)

000406973.b3lyp_6-31g(d).firefly.inp (generated)

000406973.b3lyp_6-31g(d).smash.inp (generated)

000406973.b3lyp_6-31g(d).nwchem.inp (generated) 000406973.b3lyp_6-31g(d).log.xz 000406973.td-b3lyp_6-31g+(d).inp 000406973.td-b3lyp_6-31g+(d).log.xz

000406973.td-b3lyp_6-31+g(d).qchem.inp (generated)

000406973.td-b3lyp_6-31+g(d).gjf (generated)

000406973.td-b3lyp_6-31+g(d).firefly.inp (generated)

000406973.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000406973.mol 000406973.PUBCHEM 000406973.mol (via Jmol)
000406976.b3lyp_6-31g(d).inp

000406976.b3lyp_6-31g(d).qchem.inp (generated)

000406976.b3lyp_6-31g(d).gjf (generated)

000406976.b3lyp_6-31g(d).firefly.inp (generated)

000406976.b3lyp_6-31g(d).smash.inp (generated)

000406976.b3lyp_6-31g(d).nwchem.inp (generated) 000406976.b3lyp_6-31g(d).log.xz 000406976.td-b3lyp_6-31g+(d).inp 000406976.td-b3lyp_6-31g+(d).log.xz

000406976.td-b3lyp_6-31+g(d).qchem.inp (generated)

000406976.td-b3lyp_6-31+g(d).gjf (generated)

000406976.td-b3lyp_6-31+g(d).firefly.inp (generated)

000406976.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000406976.mol 000406976.PUBCHEM 000406976.mol (via Jmol)
000406979.b3lyp_6-31g(d).inp

000406979.b3lyp_6-31g(d).qchem.inp (generated)

000406979.b3lyp_6-31g(d).gjf (generated)

000406979.b3lyp_6-31g(d).firefly.inp (generated)

000406979.b3lyp_6-31g(d).smash.inp (generated)

000406979.b3lyp_6-31g(d).nwchem.inp (generated) 000406979.b3lyp_6-31g(d).log.xz 000406979.td-b3lyp_6-31g+(d).inp 000406979.td-b3lyp_6-31g+(d).log.xz

000406979.td-b3lyp_6-31+g(d).qchem.inp (generated)

000406979.td-b3lyp_6-31+g(d).gjf (generated)

000406979.td-b3lyp_6-31+g(d).firefly.inp (generated)

000406979.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000406979.mol 000406979.PUBCHEM 000406979.mol (via Jmol)
000406980.b3lyp_6-31g(d).inp

000406980.b3lyp_6-31g(d).qchem.inp (generated)

000406980.b3lyp_6-31g(d).gjf (generated)

000406980.b3lyp_6-31g(d).firefly.inp (generated)

000406980.b3lyp_6-31g(d).smash.inp (generated)

000406980.b3lyp_6-31g(d).nwchem.inp (generated) 000406980.b3lyp_6-31g(d).log.xz 000406980.td-b3lyp_6-31g+(d).inp 000406980.td-b3lyp_6-31g+(d).log.xz

000406980.td-b3lyp_6-31+g(d).qchem.inp (generated)

000406980.td-b3lyp_6-31+g(d).gjf (generated)

000406980.td-b3lyp_6-31+g(d).firefly.inp (generated)

000406980.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000406980.mol 000406980.PUBCHEM 000406980.mol (via Jmol)
000406988.b3lyp_6-31g(d).inp

000406988.b3lyp_6-31g(d).qchem.inp (generated)

000406988.b3lyp_6-31g(d).gjf (generated)

000406988.b3lyp_6-31g(d).firefly.inp (generated)

000406988.b3lyp_6-31g(d).smash.inp (generated)

000406988.b3lyp_6-31g(d).nwchem.inp (generated) 000406988.b3lyp_6-31g(d).log.xz 000406988.td-b3lyp_6-31g+(d).inp 000406988.td-b3lyp_6-31g+(d).log.xz

000406988.td-b3lyp_6-31+g(d).qchem.inp (generated)

000406988.td-b3lyp_6-31+g(d).gjf (generated)

000406988.td-b3lyp_6-31+g(d).firefly.inp (generated)

000406988.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000406988.mol 000406988.PUBCHEM 000406988.mol (via Jmol)
000406989.b3lyp_6-31g(d).inp

000406989.b3lyp_6-31g(d).qchem.inp (generated)

000406989.b3lyp_6-31g(d).gjf (generated)

000406989.b3lyp_6-31g(d).firefly.inp (generated)

000406989.b3lyp_6-31g(d).smash.inp (generated)

000406989.b3lyp_6-31g(d).nwchem.inp (generated) 000406989.b3lyp_6-31g(d).log.xz 000406989.td-b3lyp_6-31g+(d).inp 000406989.td-b3lyp_6-31g+(d).log.xz

000406989.td-b3lyp_6-31+g(d).qchem.inp (generated)

000406989.td-b3lyp_6-31+g(d).gjf (generated)

000406989.td-b3lyp_6-31+g(d).firefly.inp (generated)

000406989.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000406989.mol 000406989.PUBCHEM 000406989.mol (via Jmol)
000406990.b3lyp_6-31g(d).inp

000406990.b3lyp_6-31g(d).qchem.inp (generated)

000406990.b3lyp_6-31g(d).gjf (generated)

000406990.b3lyp_6-31g(d).firefly.inp (generated)

000406990.b3lyp_6-31g(d).smash.inp (generated)

000406990.b3lyp_6-31g(d).nwchem.inp (generated) 000406990.b3lyp_6-31g(d).log.xz 000406990.td-b3lyp_6-31g+(d).inp 000406990.td-b3lyp_6-31g+(d).log.xz

000406990.td-b3lyp_6-31+g(d).qchem.inp (generated)

000406990.td-b3lyp_6-31+g(d).gjf (generated)

000406990.td-b3lyp_6-31+g(d).firefly.inp (generated)

000406990.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000406990.mol 000406990.PUBCHEM 000406990.mol (via Jmol)
000406994.b3lyp_6-31g(d).inp

000406994.b3lyp_6-31g(d).qchem.inp (generated)

000406994.b3lyp_6-31g(d).gjf (generated)

000406994.b3lyp_6-31g(d).firefly.inp (generated)

000406994.b3lyp_6-31g(d).smash.inp (generated)

000406994.b3lyp_6-31g(d).nwchem.inp (generated) 000406994.b3lyp_6-31g(d).log.xz 000406994.td-b3lyp_6-31g+(d).inp 000406994.td-b3lyp_6-31g+(d).log.xz

000406994.td-b3lyp_6-31+g(d).qchem.inp (generated)

000406994.td-b3lyp_6-31+g(d).gjf (generated)

000406994.td-b3lyp_6-31+g(d).firefly.inp (generated)

000406994.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000406994.mol 000406994.PUBCHEM 000406994.mol (via Jmol)
000406997.b3lyp_6-31g(d).inp

000406997.b3lyp_6-31g(d).qchem.inp (generated)

000406997.b3lyp_6-31g(d).gjf (generated)

000406997.b3lyp_6-31g(d).firefly.inp (generated)

000406997.b3lyp_6-31g(d).smash.inp (generated)

000406997.b3lyp_6-31g(d).nwchem.inp (generated) 000406997.b3lyp_6-31g(d).log.xz 000406997.td-b3lyp_6-31g+(d).inp 000406997.td-b3lyp_6-31g+(d).log.xz

000406997.td-b3lyp_6-31+g(d).qchem.inp (generated)

000406997.td-b3lyp_6-31+g(d).gjf (generated)

000406997.td-b3lyp_6-31+g(d).firefly.inp (generated)

000406997.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000406997.mol 000406997.PUBCHEM 000406997.mol (via Jmol)
000407001.b3lyp_6-31g(d).inp

000407001.b3lyp_6-31g(d).qchem.inp (generated)

000407001.b3lyp_6-31g(d).gjf (generated)

000407001.b3lyp_6-31g(d).firefly.inp (generated)

000407001.b3lyp_6-31g(d).smash.inp (generated)

000407001.b3lyp_6-31g(d).nwchem.inp (generated) 000407001.b3lyp_6-31g(d).log.xz 000407001.td-b3lyp_6-31g+(d).inp 000407001.td-b3lyp_6-31g+(d).log.xz

000407001.td-b3lyp_6-31+g(d).qchem.inp (generated)

000407001.td-b3lyp_6-31+g(d).gjf (generated)

000407001.td-b3lyp_6-31+g(d).firefly.inp (generated)

000407001.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000407001.mol 000407001.PUBCHEM 000407001.mol (via Jmol)
000407005.b3lyp_6-31g(d).inp

000407005.b3lyp_6-31g(d).qchem.inp (generated)

000407005.b3lyp_6-31g(d).gjf (generated)

000407005.b3lyp_6-31g(d).firefly.inp (generated)

000407005.b3lyp_6-31g(d).smash.inp (generated)

000407005.b3lyp_6-31g(d).nwchem.inp (generated) 000407005.b3lyp_6-31g(d).log.xz 000407005.td-b3lyp_6-31g+(d).inp 000407005.td-b3lyp_6-31g+(d).log.xz

000407005.td-b3lyp_6-31+g(d).qchem.inp (generated)

000407005.td-b3lyp_6-31+g(d).gjf (generated)

000407005.td-b3lyp_6-31+g(d).firefly.inp (generated)

000407005.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000407005.mol 000407005.PUBCHEM 000407005.mol (via Jmol)
000407006.b3lyp_6-31g(d).inp

000407006.b3lyp_6-31g(d).qchem.inp (generated)

000407006.b3lyp_6-31g(d).gjf (generated)

000407006.b3lyp_6-31g(d).firefly.inp (generated)

000407006.b3lyp_6-31g(d).smash.inp (generated)

000407006.b3lyp_6-31g(d).nwchem.inp (generated) 000407006.b3lyp_6-31g(d).log.xz 000407006.td-b3lyp_6-31g+(d).inp 000407006.td-b3lyp_6-31g+(d).log.xz

000407006.td-b3lyp_6-31+g(d).qchem.inp (generated)

000407006.td-b3lyp_6-31+g(d).gjf (generated)

000407006.td-b3lyp_6-31+g(d).firefly.inp (generated)

000407006.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000407006.mol 000407006.PUBCHEM 000407006.mol (via Jmol)
000407007.b3lyp_6-31g(d).inp

000407007.b3lyp_6-31g(d).qchem.inp (generated)

000407007.b3lyp_6-31g(d).gjf (generated)

000407007.b3lyp_6-31g(d).firefly.inp (generated)

000407007.b3lyp_6-31g(d).smash.inp (generated)

000407007.b3lyp_6-31g(d).nwchem.inp (generated) 000407007.b3lyp_6-31g(d).log.xz 000407007.td-b3lyp_6-31g+(d).inp 000407007.td-b3lyp_6-31g+(d).log.xz

000407007.td-b3lyp_6-31+g(d).qchem.inp (generated)

000407007.td-b3lyp_6-31+g(d).gjf (generated)

000407007.td-b3lyp_6-31+g(d).firefly.inp (generated)

000407007.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000407007.mol 000407007.PUBCHEM 000407007.mol (via Jmol)
000407009.b3lyp_6-31g(d).inp

000407009.b3lyp_6-31g(d).qchem.inp (generated)

000407009.b3lyp_6-31g(d).gjf (generated)

000407009.b3lyp_6-31g(d).firefly.inp (generated)

000407009.b3lyp_6-31g(d).smash.inp (generated)

000407009.b3lyp_6-31g(d).nwchem.inp (generated) 000407009.b3lyp_6-31g(d).log.xz 000407009.td-b3lyp_6-31g+(d).inp 000407009.td-b3lyp_6-31g+(d).log.xz

000407009.td-b3lyp_6-31+g(d).qchem.inp (generated)

000407009.td-b3lyp_6-31+g(d).gjf (generated)

000407009.td-b3lyp_6-31+g(d).firefly.inp (generated)

000407009.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000407009.mol 000407009.PUBCHEM 000407009.mol (via Jmol)
000407011.b3lyp_6-31g(d).inp

000407011.b3lyp_6-31g(d).qchem.inp (generated)

000407011.b3lyp_6-31g(d).gjf (generated)

000407011.b3lyp_6-31g(d).firefly.inp (generated)

000407011.b3lyp_6-31g(d).smash.inp (generated)

000407011.b3lyp_6-31g(d).nwchem.inp (generated) 000407011.b3lyp_6-31g(d).log.xz 000407011.td-b3lyp_6-31g+(d).inp 000407011.td-b3lyp_6-31g+(d).log.xz

000407011.td-b3lyp_6-31+g(d).qchem.inp (generated)

000407011.td-b3lyp_6-31+g(d).gjf (generated)

000407011.td-b3lyp_6-31+g(d).firefly.inp (generated)

000407011.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000407011.mol 000407011.PUBCHEM 000407011.mol (via Jmol)
000407012.b3lyp_6-31g(d).inp

000407012.b3lyp_6-31g(d).qchem.inp (generated)

000407012.b3lyp_6-31g(d).gjf (generated)

000407012.b3lyp_6-31g(d).firefly.inp (generated)

000407012.b3lyp_6-31g(d).smash.inp (generated)

000407012.b3lyp_6-31g(d).nwchem.inp (generated) 000407012.b3lyp_6-31g(d).log.xz 000407012.td-b3lyp_6-31g+(d).inp 000407012.td-b3lyp_6-31g+(d).log.xz

000407012.td-b3lyp_6-31+g(d).qchem.inp (generated)

000407012.td-b3lyp_6-31+g(d).gjf (generated)

000407012.td-b3lyp_6-31+g(d).firefly.inp (generated)

000407012.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000407012.mol 000407012.PUBCHEM 000407012.mol (via Jmol)
000407019.b3lyp_6-31g(d).inp

000407019.b3lyp_6-31g(d).qchem.inp (generated)

000407019.b3lyp_6-31g(d).gjf (generated)

000407019.b3lyp_6-31g(d).firefly.inp (generated)

000407019.b3lyp_6-31g(d).smash.inp (generated)

000407019.b3lyp_6-31g(d).nwchem.inp (generated) 000407019.b3lyp_6-31g(d).log.xz 000407019.td-b3lyp_6-31g+(d).inp 000407019.td-b3lyp_6-31g+(d).log.xz

000407019.td-b3lyp_6-31+g(d).qchem.inp (generated)

000407019.td-b3lyp_6-31+g(d).gjf (generated)

000407019.td-b3lyp_6-31+g(d).firefly.inp (generated)

000407019.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000407019.mol 000407019.PUBCHEM 000407019.mol (via Jmol)
000407020.b3lyp_6-31g(d).inp

000407020.b3lyp_6-31g(d).qchem.inp (generated)

000407020.b3lyp_6-31g(d).gjf (generated)

000407020.b3lyp_6-31g(d).firefly.inp (generated)

000407020.b3lyp_6-31g(d).smash.inp (generated)

000407020.b3lyp_6-31g(d).nwchem.inp (generated) 000407020.b3lyp_6-31g(d).log.xz 000407020.td-b3lyp_6-31g+(d).inp 000407020.td-b3lyp_6-31g+(d).log.xz

000407020.td-b3lyp_6-31+g(d).qchem.inp (generated)

000407020.td-b3lyp_6-31+g(d).gjf (generated)

000407020.td-b3lyp_6-31+g(d).firefly.inp (generated)

000407020.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000407020.mol 000407020.PUBCHEM 000407020.mol (via Jmol)
000407023.b3lyp_6-31g(d).inp

000407023.b3lyp_6-31g(d).qchem.inp (generated)

000407023.b3lyp_6-31g(d).gjf (generated)

000407023.b3lyp_6-31g(d).firefly.inp (generated)

000407023.b3lyp_6-31g(d).smash.inp (generated)

000407023.b3lyp_6-31g(d).nwchem.inp (generated) 000407023.b3lyp_6-31g(d).log.xz 000407023.td-b3lyp_6-31g+(d).inp 000407023.td-b3lyp_6-31g+(d).log.xz

000407023.td-b3lyp_6-31+g(d).qchem.inp (generated)

000407023.td-b3lyp_6-31+g(d).gjf (generated)

000407023.td-b3lyp_6-31+g(d).firefly.inp (generated)

000407023.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000407023.mol 000407023.PUBCHEM 000407023.mol (via Jmol)
000407024.b3lyp_6-31g(d).inp

000407024.b3lyp_6-31g(d).qchem.inp (generated)

000407024.b3lyp_6-31g(d).gjf (generated)

000407024.b3lyp_6-31g(d).firefly.inp (generated)

000407024.b3lyp_6-31g(d).smash.inp (generated)

000407024.b3lyp_6-31g(d).nwchem.inp (generated) 000407024.b3lyp_6-31g(d).log.xz 000407024.td-b3lyp_6-31g+(d).inp 000407024.td-b3lyp_6-31g+(d).log.xz

000407024.td-b3lyp_6-31+g(d).qchem.inp (generated)

000407024.td-b3lyp_6-31+g(d).gjf (generated)

000407024.td-b3lyp_6-31+g(d).firefly.inp (generated)

000407024.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000407024.mol 000407024.PUBCHEM 000407024.mol (via Jmol)
000407028.b3lyp_6-31g(d).inp

000407028.b3lyp_6-31g(d).qchem.inp (generated)

000407028.b3lyp_6-31g(d).gjf (generated)

000407028.b3lyp_6-31g(d).firefly.inp (generated)

000407028.b3lyp_6-31g(d).smash.inp (generated)

000407028.b3lyp_6-31g(d).nwchem.inp (generated) 000407028.b3lyp_6-31g(d).log.xz 000407028.td-b3lyp_6-31g+(d).inp 000407028.td-b3lyp_6-31g+(d).log.xz

000407028.td-b3lyp_6-31+g(d).qchem.inp (generated)

000407028.td-b3lyp_6-31+g(d).gjf (generated)

000407028.td-b3lyp_6-31+g(d).firefly.inp (generated)

000407028.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000407028.mol 000407028.PUBCHEM 000407028.mol (via Jmol)
000407029.b3lyp_6-31g(d).inp

000407029.b3lyp_6-31g(d).qchem.inp (generated)

000407029.b3lyp_6-31g(d).gjf (generated)

000407029.b3lyp_6-31g(d).firefly.inp (generated)

000407029.b3lyp_6-31g(d).smash.inp (generated)

000407029.b3lyp_6-31g(d).nwchem.inp (generated) 000407029.b3lyp_6-31g(d).log.xz 000407029.td-b3lyp_6-31g+(d).inp 000407029.td-b3lyp_6-31g+(d).log.xz

000407029.td-b3lyp_6-31+g(d).qchem.inp (generated)

000407029.td-b3lyp_6-31+g(d).gjf (generated)

000407029.td-b3lyp_6-31+g(d).firefly.inp (generated)

000407029.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000407029.mol 000407029.PUBCHEM 000407029.mol (via Jmol)
000407031.b3lyp_6-31g(d).inp

000407031.b3lyp_6-31g(d).qchem.inp (generated)

000407031.b3lyp_6-31g(d).gjf (generated)

000407031.b3lyp_6-31g(d).firefly.inp (generated)

000407031.b3lyp_6-31g(d).smash.inp (generated)

000407031.b3lyp_6-31g(d).nwchem.inp (generated) 000407031.b3lyp_6-31g(d).log.xz 000407031.td-b3lyp_6-31g+(d).inp 000407031.td-b3lyp_6-31g+(d).log.xz

000407031.td-b3lyp_6-31+g(d).qchem.inp (generated)

000407031.td-b3lyp_6-31+g(d).gjf (generated)

000407031.td-b3lyp_6-31+g(d).firefly.inp (generated)

000407031.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000407031.mol 000407031.PUBCHEM 000407031.mol (via Jmol)
000407032.b3lyp_6-31g(d).inp

000407032.b3lyp_6-31g(d).qchem.inp (generated)

000407032.b3lyp_6-31g(d).gjf (generated)

000407032.b3lyp_6-31g(d).firefly.inp (generated)

000407032.b3lyp_6-31g(d).smash.inp (generated)

000407032.b3lyp_6-31g(d).nwchem.inp (generated) 000407032.b3lyp_6-31g(d).log.xz 000407032.td-b3lyp_6-31g+(d).inp 000407032.td-b3lyp_6-31g+(d).log.xz

000407032.td-b3lyp_6-31+g(d).qchem.inp (generated)

000407032.td-b3lyp_6-31+g(d).gjf (generated)

000407032.td-b3lyp_6-31+g(d).firefly.inp (generated)

000407032.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000407032.mol 000407032.PUBCHEM 000407032.mol (via Jmol)
000407036.b3lyp_6-31g(d).inp

000407036.b3lyp_6-31g(d).qchem.inp (generated)

000407036.b3lyp_6-31g(d).gjf (generated)

000407036.b3lyp_6-31g(d).firefly.inp (generated)

000407036.b3lyp_6-31g(d).smash.inp (generated)

000407036.b3lyp_6-31g(d).nwchem.inp (generated) 000407036.b3lyp_6-31g(d).log.xz 000407036.td-b3lyp_6-31g+(d).inp 000407036.td-b3lyp_6-31g+(d).log.xz

000407036.td-b3lyp_6-31+g(d).qchem.inp (generated)

000407036.td-b3lyp_6-31+g(d).gjf (generated)

000407036.td-b3lyp_6-31+g(d).firefly.inp (generated)

000407036.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000407036.mol 000407036.PUBCHEM 000407036.mol (via Jmol)
000407038.b3lyp_6-31g(d).inp

000407038.b3lyp_6-31g(d).qchem.inp (generated)

000407038.b3lyp_6-31g(d).gjf (generated)

000407038.b3lyp_6-31g(d).firefly.inp (generated)

000407038.b3lyp_6-31g(d).smash.inp (generated)

000407038.b3lyp_6-31g(d).nwchem.inp (generated) 000407038.b3lyp_6-31g(d).log.xz 000407038.td-b3lyp_6-31g+(d).inp 000407038.td-b3lyp_6-31g+(d).log.xz

000407038.td-b3lyp_6-31+g(d).qchem.inp (generated)

000407038.td-b3lyp_6-31+g(d).gjf (generated)

000407038.td-b3lyp_6-31+g(d).firefly.inp (generated)

000407038.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000407038.mol 000407038.PUBCHEM 000407038.mol (via Jmol)
000407041.b3lyp_6-31g(d).inp

000407041.b3lyp_6-31g(d).qchem.inp (generated)

000407041.b3lyp_6-31g(d).gjf (generated)

000407041.b3lyp_6-31g(d).firefly.inp (generated)

000407041.b3lyp_6-31g(d).smash.inp (generated)

000407041.b3lyp_6-31g(d).nwchem.inp (generated) 000407041.b3lyp_6-31g(d).log.xz 000407041.td-b3lyp_6-31g+(d).inp 000407041.td-b3lyp_6-31g+(d).log.xz

000407041.td-b3lyp_6-31+g(d).qchem.inp (generated)

000407041.td-b3lyp_6-31+g(d).gjf (generated)

000407041.td-b3lyp_6-31+g(d).firefly.inp (generated)

000407041.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000407041.mol 000407041.PUBCHEM 000407041.mol (via Jmol)
000407042.b3lyp_6-31g(d).inp

000407042.b3lyp_6-31g(d).qchem.inp (generated)

000407042.b3lyp_6-31g(d).gjf (generated)

000407042.b3lyp_6-31g(d).firefly.inp (generated)

000407042.b3lyp_6-31g(d).smash.inp (generated)

000407042.b3lyp_6-31g(d).nwchem.inp (generated) 000407042.b3lyp_6-31g(d).log.xz 000407042.td-b3lyp_6-31g+(d).inp 000407042.td-b3lyp_6-31g+(d).log.xz

000407042.td-b3lyp_6-31+g(d).qchem.inp (generated)

000407042.td-b3lyp_6-31+g(d).gjf (generated)

000407042.td-b3lyp_6-31+g(d).firefly.inp (generated)

000407042.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000407042.mol 000407042.PUBCHEM 000407042.mol (via Jmol)
000407044.b3lyp_6-31g(d).inp

000407044.b3lyp_6-31g(d).qchem.inp (generated)

000407044.b3lyp_6-31g(d).gjf (generated)

000407044.b3lyp_6-31g(d).firefly.inp (generated)

000407044.b3lyp_6-31g(d).smash.inp (generated)

000407044.b3lyp_6-31g(d).nwchem.inp (generated) 000407044.b3lyp_6-31g(d).log.xz 000407044.td-b3lyp_6-31g+(d).inp 000407044.td-b3lyp_6-31g+(d).log.xz

000407044.td-b3lyp_6-31+g(d).qchem.inp (generated)

000407044.td-b3lyp_6-31+g(d).gjf (generated)

000407044.td-b3lyp_6-31+g(d).firefly.inp (generated)

000407044.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000407044.mol 000407044.PUBCHEM 000407044.mol (via Jmol)
000407046.b3lyp_6-31g(d).inp

000407046.b3lyp_6-31g(d).qchem.inp (generated)

000407046.b3lyp_6-31g(d).gjf (generated)

000407046.b3lyp_6-31g(d).firefly.inp (generated)

000407046.b3lyp_6-31g(d).smash.inp (generated)

000407046.b3lyp_6-31g(d).nwchem.inp (generated) 000407046.b3lyp_6-31g(d).log.xz 000407046.td-b3lyp_6-31g+(d).inp 000407046.td-b3lyp_6-31g+(d).log.xz

000407046.td-b3lyp_6-31+g(d).qchem.inp (generated)

000407046.td-b3lyp_6-31+g(d).gjf (generated)

000407046.td-b3lyp_6-31+g(d).firefly.inp (generated)

000407046.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000407046.mol 000407046.PUBCHEM 000407046.mol (via Jmol)
000407051.b3lyp_6-31g(d).inp

000407051.b3lyp_6-31g(d).qchem.inp (generated)

000407051.b3lyp_6-31g(d).gjf (generated)

000407051.b3lyp_6-31g(d).firefly.inp (generated)

000407051.b3lyp_6-31g(d).smash.inp (generated)

000407051.b3lyp_6-31g(d).nwchem.inp (generated) 000407051.b3lyp_6-31g(d).log.xz 000407051.td-b3lyp_6-31g+(d).inp 000407051.td-b3lyp_6-31g+(d).log.xz

000407051.td-b3lyp_6-31+g(d).qchem.inp (generated)

000407051.td-b3lyp_6-31+g(d).gjf (generated)

000407051.td-b3lyp_6-31+g(d).firefly.inp (generated)

000407051.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000407051.mol 000407051.PUBCHEM 000407051.mol (via Jmol)
000407052.b3lyp_6-31g(d).inp

000407052.b3lyp_6-31g(d).qchem.inp (generated)

000407052.b3lyp_6-31g(d).gjf (generated)

000407052.b3lyp_6-31g(d).firefly.inp (generated)

000407052.b3lyp_6-31g(d).smash.inp (generated)

000407052.b3lyp_6-31g(d).nwchem.inp (generated) 000407052.b3lyp_6-31g(d).log.xz 000407052.td-b3lyp_6-31g+(d).inp 000407052.td-b3lyp_6-31g+(d).log.xz

000407052.td-b3lyp_6-31+g(d).qchem.inp (generated)

000407052.td-b3lyp_6-31+g(d).gjf (generated)

000407052.td-b3lyp_6-31+g(d).firefly.inp (generated)

000407052.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000407052.mol 000407052.PUBCHEM 000407052.mol (via Jmol)
000407054.b3lyp_6-31g(d).inp

000407054.b3lyp_6-31g(d).qchem.inp (generated)

000407054.b3lyp_6-31g(d).gjf (generated)

000407054.b3lyp_6-31g(d).firefly.inp (generated)

000407054.b3lyp_6-31g(d).smash.inp (generated)

000407054.b3lyp_6-31g(d).nwchem.inp (generated) 000407054.b3lyp_6-31g(d).log.xz 000407054.td-b3lyp_6-31g+(d).inp 000407054.td-b3lyp_6-31g+(d).log.xz

000407054.td-b3lyp_6-31+g(d).qchem.inp (generated)

000407054.td-b3lyp_6-31+g(d).gjf (generated)

000407054.td-b3lyp_6-31+g(d).firefly.inp (generated)

000407054.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000407054.mol 000407054.PUBCHEM 000407054.mol (via Jmol)
000407055.b3lyp_6-31g(d).inp

000407055.b3lyp_6-31g(d).qchem.inp (generated)

000407055.b3lyp_6-31g(d).gjf (generated)

000407055.b3lyp_6-31g(d).firefly.inp (generated)

000407055.b3lyp_6-31g(d).smash.inp (generated)

000407055.b3lyp_6-31g(d).nwchem.inp (generated) 000407055.b3lyp_6-31g(d).log.xz 000407055.td-b3lyp_6-31g+(d).inp 000407055.td-b3lyp_6-31g+(d).log.xz

000407055.td-b3lyp_6-31+g(d).qchem.inp (generated)

000407055.td-b3lyp_6-31+g(d).gjf (generated)

000407055.td-b3lyp_6-31+g(d).firefly.inp (generated)

000407055.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000407055.mol 000407055.PUBCHEM 000407055.mol (via Jmol)
000407063.b3lyp_6-31g(d).inp

000407063.b3lyp_6-31g(d).qchem.inp (generated)

000407063.b3lyp_6-31g(d).gjf (generated)

000407063.b3lyp_6-31g(d).firefly.inp (generated)

000407063.b3lyp_6-31g(d).smash.inp (generated)

000407063.b3lyp_6-31g(d).nwchem.inp (generated) 000407063.b3lyp_6-31g(d).log.xz 000407063.td-b3lyp_6-31g+(d).inp 000407063.td-b3lyp_6-31g+(d).log.xz

000407063.td-b3lyp_6-31+g(d).qchem.inp (generated)

000407063.td-b3lyp_6-31+g(d).gjf (generated)

000407063.td-b3lyp_6-31+g(d).firefly.inp (generated)

000407063.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000407063.mol 000407063.PUBCHEM 000407063.mol (via Jmol)
000407075.b3lyp_6-31g(d).inp

000407075.b3lyp_6-31g(d).qchem.inp (generated)

000407075.b3lyp_6-31g(d).gjf (generated)

000407075.b3lyp_6-31g(d).firefly.inp (generated)

000407075.b3lyp_6-31g(d).smash.inp (generated)

000407075.b3lyp_6-31g(d).nwchem.inp (generated) 000407075.b3lyp_6-31g(d).log.xz 000407075.td-b3lyp_6-31g+(d).inp 000407075.td-b3lyp_6-31g+(d).log.xz

000407075.td-b3lyp_6-31+g(d).qchem.inp (generated)

000407075.td-b3lyp_6-31+g(d).gjf (generated)

000407075.td-b3lyp_6-31+g(d).firefly.inp (generated)

000407075.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000407075.mol 000407075.PUBCHEM 000407075.mol (via Jmol)
000407076.b3lyp_6-31g(d).inp

000407076.b3lyp_6-31g(d).qchem.inp (generated)

000407076.b3lyp_6-31g(d).gjf (generated)

000407076.b3lyp_6-31g(d).firefly.inp (generated)

000407076.b3lyp_6-31g(d).smash.inp (generated)

000407076.b3lyp_6-31g(d).nwchem.inp (generated) 000407076.b3lyp_6-31g(d).log.xz 000407076.td-b3lyp_6-31g+(d).inp 000407076.td-b3lyp_6-31g+(d).log.xz

000407076.td-b3lyp_6-31+g(d).qchem.inp (generated)

000407076.td-b3lyp_6-31+g(d).gjf (generated)

000407076.td-b3lyp_6-31+g(d).firefly.inp (generated)

000407076.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000407076.mol 000407076.PUBCHEM 000407076.mol (via Jmol)
000407077.b3lyp_6-31g(d).inp

000407077.b3lyp_6-31g(d).qchem.inp (generated)

000407077.b3lyp_6-31g(d).gjf (generated)

000407077.b3lyp_6-31g(d).firefly.inp (generated)

000407077.b3lyp_6-31g(d).smash.inp (generated)

000407077.b3lyp_6-31g(d).nwchem.inp (generated) 000407077.b3lyp_6-31g(d).log.xz 000407077.td-b3lyp_6-31g+(d).inp 000407077.td-b3lyp_6-31g+(d).log.xz

000407077.td-b3lyp_6-31+g(d).qchem.inp (generated)

000407077.td-b3lyp_6-31+g(d).gjf (generated)

000407077.td-b3lyp_6-31+g(d).firefly.inp (generated)

000407077.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000407077.mol 000407077.PUBCHEM 000407077.mol (via Jmol)
000407081.b3lyp_6-31g(d).inp

000407081.b3lyp_6-31g(d).qchem.inp (generated)

000407081.b3lyp_6-31g(d).gjf (generated)

000407081.b3lyp_6-31g(d).firefly.inp (generated)

000407081.b3lyp_6-31g(d).smash.inp (generated)

000407081.b3lyp_6-31g(d).nwchem.inp (generated) 000407081.b3lyp_6-31g(d).log.xz 000407081.td-b3lyp_6-31g+(d).inp 000407081.td-b3lyp_6-31g+(d).log.xz

000407081.td-b3lyp_6-31+g(d).qchem.inp (generated)

000407081.td-b3lyp_6-31+g(d).gjf (generated)

000407081.td-b3lyp_6-31+g(d).firefly.inp (generated)

000407081.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000407081.mol 000407081.PUBCHEM 000407081.mol (via Jmol)
000407084.b3lyp_6-31g(d).inp

000407084.b3lyp_6-31g(d).qchem.inp (generated)

000407084.b3lyp_6-31g(d).gjf (generated)

000407084.b3lyp_6-31g(d).firefly.inp (generated)

000407084.b3lyp_6-31g(d).smash.inp (generated)

000407084.b3lyp_6-31g(d).nwchem.inp (generated) 000407084.b3lyp_6-31g(d).log.xz 000407084.td-b3lyp_6-31g+(d).inp 000407084.td-b3lyp_6-31g+(d).log.xz

000407084.td-b3lyp_6-31+g(d).qchem.inp (generated)

000407084.td-b3lyp_6-31+g(d).gjf (generated)

000407084.td-b3lyp_6-31+g(d).firefly.inp (generated)

000407084.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000407084.mol 000407084.PUBCHEM 000407084.mol (via Jmol)
000407088.b3lyp_6-31g(d).inp

000407088.b3lyp_6-31g(d).qchem.inp (generated)

000407088.b3lyp_6-31g(d).gjf (generated)

000407088.b3lyp_6-31g(d).firefly.inp (generated)

000407088.b3lyp_6-31g(d).smash.inp (generated)

000407088.b3lyp_6-31g(d).nwchem.inp (generated) 000407088.b3lyp_6-31g(d).log.xz 000407088.td-b3lyp_6-31g+(d).inp 000407088.td-b3lyp_6-31g+(d).log.xz

000407088.td-b3lyp_6-31+g(d).qchem.inp (generated)

000407088.td-b3lyp_6-31+g(d).gjf (generated)

000407088.td-b3lyp_6-31+g(d).firefly.inp (generated)

000407088.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000407088.mol 000407088.PUBCHEM 000407088.mol (via Jmol)
000407089.b3lyp_6-31g(d).inp

000407089.b3lyp_6-31g(d).qchem.inp (generated)

000407089.b3lyp_6-31g(d).gjf (generated)

000407089.b3lyp_6-31g(d).firefly.inp (generated)

000407089.b3lyp_6-31g(d).smash.inp (generated)

000407089.b3lyp_6-31g(d).nwchem.inp (generated) 000407089.b3lyp_6-31g(d).log.xz 000407089.td-b3lyp_6-31g+(d).inp 000407089.td-b3lyp_6-31g+(d).log.xz

000407089.td-b3lyp_6-31+g(d).qchem.inp (generated)

000407089.td-b3lyp_6-31+g(d).gjf (generated)

000407089.td-b3lyp_6-31+g(d).firefly.inp (generated)

000407089.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000407089.mol 000407089.PUBCHEM 000407089.mol (via Jmol)
000407090.b3lyp_6-31g(d).inp

000407090.b3lyp_6-31g(d).qchem.inp (generated)

000407090.b3lyp_6-31g(d).gjf (generated)

000407090.b3lyp_6-31g(d).firefly.inp (generated)

000407090.b3lyp_6-31g(d).smash.inp (generated)

000407090.b3lyp_6-31g(d).nwchem.inp (generated) 000407090.b3lyp_6-31g(d).log.xz 000407090.td-b3lyp_6-31g+(d).inp 000407090.td-b3lyp_6-31g+(d).log.xz

000407090.td-b3lyp_6-31+g(d).qchem.inp (generated)

000407090.td-b3lyp_6-31+g(d).gjf (generated)

000407090.td-b3lyp_6-31+g(d).firefly.inp (generated)

000407090.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000407090.mol 000407090.PUBCHEM 000407090.mol (via Jmol)
000407091.b3lyp_6-31g(d).inp

000407091.b3lyp_6-31g(d).qchem.inp (generated)

000407091.b3lyp_6-31g(d).gjf (generated)

000407091.b3lyp_6-31g(d).firefly.inp (generated)

000407091.b3lyp_6-31g(d).smash.inp (generated)

000407091.b3lyp_6-31g(d).nwchem.inp (generated) 000407091.b3lyp_6-31g(d).log.xz 000407091.td-b3lyp_6-31g+(d).inp 000407091.td-b3lyp_6-31g+(d).log.xz

000407091.td-b3lyp_6-31+g(d).qchem.inp (generated)

000407091.td-b3lyp_6-31+g(d).gjf (generated)

000407091.td-b3lyp_6-31+g(d).firefly.inp (generated)

000407091.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000407091.mol 000407091.PUBCHEM 000407091.mol (via Jmol)
000407094.b3lyp_6-31g(d).inp

000407094.b3lyp_6-31g(d).qchem.inp (generated)

000407094.b3lyp_6-31g(d).gjf (generated)

000407094.b3lyp_6-31g(d).firefly.inp (generated)

000407094.b3lyp_6-31g(d).smash.inp (generated)

000407094.b3lyp_6-31g(d).nwchem.inp (generated) 000407094.b3lyp_6-31g(d).log.xz 000407094.td-b3lyp_6-31g+(d).inp 000407094.td-b3lyp_6-31g+(d).log.xz

000407094.td-b3lyp_6-31+g(d).qchem.inp (generated)

000407094.td-b3lyp_6-31+g(d).gjf (generated)

000407094.td-b3lyp_6-31+g(d).firefly.inp (generated)

000407094.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000407094.mol 000407094.PUBCHEM 000407094.mol (via Jmol)
000407118.b3lyp_6-31g(d).inp

000407118.b3lyp_6-31g(d).qchem.inp (generated)

000407118.b3lyp_6-31g(d).gjf (generated)

000407118.b3lyp_6-31g(d).firefly.inp (generated)

000407118.b3lyp_6-31g(d).smash.inp (generated)

000407118.b3lyp_6-31g(d).nwchem.inp (generated) 000407118.b3lyp_6-31g(d).log.xz 000407118.td-b3lyp_6-31g+(d).inp 000407118.td-b3lyp_6-31g+(d).log.xz

000407118.td-b3lyp_6-31+g(d).qchem.inp (generated)

000407118.td-b3lyp_6-31+g(d).gjf (generated)

000407118.td-b3lyp_6-31+g(d).firefly.inp (generated)

000407118.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000407118.mol 000407118.PUBCHEM 000407118.mol (via Jmol)
000407144.b3lyp_6-31g(d).inp

000407144.b3lyp_6-31g(d).qchem.inp (generated)

000407144.b3lyp_6-31g(d).gjf (generated)

000407144.b3lyp_6-31g(d).firefly.inp (generated)

000407144.b3lyp_6-31g(d).smash.inp (generated)

000407144.b3lyp_6-31g(d).nwchem.inp (generated) 000407144.b3lyp_6-31g(d).log.xz 000407144.td-b3lyp_6-31g+(d).inp 000407144.td-b3lyp_6-31g+(d).log.xz

000407144.td-b3lyp_6-31+g(d).qchem.inp (generated)

000407144.td-b3lyp_6-31+g(d).gjf (generated)

000407144.td-b3lyp_6-31+g(d).firefly.inp (generated)

000407144.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000407144.mol 000407144.PUBCHEM 000407144.mol (via Jmol)
000407147.b3lyp_6-31g(d).inp

000407147.b3lyp_6-31g(d).qchem.inp (generated)

000407147.b3lyp_6-31g(d).gjf (generated)

000407147.b3lyp_6-31g(d).firefly.inp (generated)

000407147.b3lyp_6-31g(d).smash.inp (generated)

000407147.b3lyp_6-31g(d).nwchem.inp (generated) 000407147.b3lyp_6-31g(d).log.xz 000407147.td-b3lyp_6-31g+(d).inp 000407147.td-b3lyp_6-31g+(d).log.xz

000407147.td-b3lyp_6-31+g(d).qchem.inp (generated)

000407147.td-b3lyp_6-31+g(d).gjf (generated)

000407147.td-b3lyp_6-31+g(d).firefly.inp (generated)

000407147.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000407147.mol 000407147.PUBCHEM 000407147.mol (via Jmol)
000407156.b3lyp_6-31g(d).inp

000407156.b3lyp_6-31g(d).qchem.inp (generated)

000407156.b3lyp_6-31g(d).gjf (generated)

000407156.b3lyp_6-31g(d).firefly.inp (generated)

000407156.b3lyp_6-31g(d).smash.inp (generated)

000407156.b3lyp_6-31g(d).nwchem.inp (generated) 000407156.b3lyp_6-31g(d).log.xz 000407156.td-b3lyp_6-31g+(d).inp 000407156.td-b3lyp_6-31g+(d).log.xz

000407156.td-b3lyp_6-31+g(d).qchem.inp (generated)

000407156.td-b3lyp_6-31+g(d).gjf (generated)

000407156.td-b3lyp_6-31+g(d).firefly.inp (generated)

000407156.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000407156.mol 000407156.PUBCHEM 000407156.mol (via Jmol)
000407162.b3lyp_6-31g(d).inp

000407162.b3lyp_6-31g(d).qchem.inp (generated)

000407162.b3lyp_6-31g(d).gjf (generated)

000407162.b3lyp_6-31g(d).firefly.inp (generated)

000407162.b3lyp_6-31g(d).smash.inp (generated)

000407162.b3lyp_6-31g(d).nwchem.inp (generated) 000407162.b3lyp_6-31g(d).log.xz 000407162.td-b3lyp_6-31g+(d).inp 000407162.td-b3lyp_6-31g+(d).log.xz

000407162.td-b3lyp_6-31+g(d).qchem.inp (generated)

000407162.td-b3lyp_6-31+g(d).gjf (generated)

000407162.td-b3lyp_6-31+g(d).firefly.inp (generated)

000407162.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000407162.mol 000407162.PUBCHEM 000407162.mol (via Jmol)
000407163.b3lyp_6-31g(d).inp

000407163.b3lyp_6-31g(d).qchem.inp (generated)

000407163.b3lyp_6-31g(d).gjf (generated)

000407163.b3lyp_6-31g(d).firefly.inp (generated)

000407163.b3lyp_6-31g(d).smash.inp (generated)

000407163.b3lyp_6-31g(d).nwchem.inp (generated) 000407163.b3lyp_6-31g(d).log.xz 000407163.td-b3lyp_6-31g+(d).inp 000407163.td-b3lyp_6-31g+(d).log.xz

000407163.td-b3lyp_6-31+g(d).qchem.inp (generated)

000407163.td-b3lyp_6-31+g(d).gjf (generated)

000407163.td-b3lyp_6-31+g(d).firefly.inp (generated)

000407163.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000407163.mol 000407163.PUBCHEM 000407163.mol (via Jmol)
000407168.b3lyp_6-31g(d).inp

000407168.b3lyp_6-31g(d).qchem.inp (generated)

000407168.b3lyp_6-31g(d).gjf (generated)

000407168.b3lyp_6-31g(d).firefly.inp (generated)

000407168.b3lyp_6-31g(d).smash.inp (generated)

000407168.b3lyp_6-31g(d).nwchem.inp (generated) 000407168.b3lyp_6-31g(d).log.xz 000407168.td-b3lyp_6-31g+(d).inp 000407168.td-b3lyp_6-31g+(d).log.xz

000407168.td-b3lyp_6-31+g(d).qchem.inp (generated)

000407168.td-b3lyp_6-31+g(d).gjf (generated)

000407168.td-b3lyp_6-31+g(d).firefly.inp (generated)

000407168.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000407168.mol 000407168.PUBCHEM 000407168.mol (via Jmol)
000407169.b3lyp_6-31g(d).inp

000407169.b3lyp_6-31g(d).qchem.inp (generated)

000407169.b3lyp_6-31g(d).gjf (generated)

000407169.b3lyp_6-31g(d).firefly.inp (generated)

000407169.b3lyp_6-31g(d).smash.inp (generated)

000407169.b3lyp_6-31g(d).nwchem.inp (generated) 000407169.b3lyp_6-31g(d).log.xz 000407169.td-b3lyp_6-31g+(d).inp 000407169.td-b3lyp_6-31g+(d).log.xz

000407169.td-b3lyp_6-31+g(d).qchem.inp (generated)

000407169.td-b3lyp_6-31+g(d).gjf (generated)

000407169.td-b3lyp_6-31+g(d).firefly.inp (generated)

000407169.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000407169.mol 000407169.PUBCHEM 000407169.mol (via Jmol)
000407177.b3lyp_6-31g(d).inp

000407177.b3lyp_6-31g(d).qchem.inp (generated)

000407177.b3lyp_6-31g(d).gjf (generated)

000407177.b3lyp_6-31g(d).firefly.inp (generated)

000407177.b3lyp_6-31g(d).smash.inp (generated)

000407177.b3lyp_6-31g(d).nwchem.inp (generated) 000407177.b3lyp_6-31g(d).log.xz 000407177.td-b3lyp_6-31g+(d).inp 000407177.td-b3lyp_6-31g+(d).log.xz

000407177.td-b3lyp_6-31+g(d).qchem.inp (generated)

000407177.td-b3lyp_6-31+g(d).gjf (generated)

000407177.td-b3lyp_6-31+g(d).firefly.inp (generated)

000407177.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000407177.mol 000407177.PUBCHEM 000407177.mol (via Jmol)
000407179.b3lyp_6-31g(d).inp

000407179.b3lyp_6-31g(d).qchem.inp (generated)

000407179.b3lyp_6-31g(d).gjf (generated)

000407179.b3lyp_6-31g(d).firefly.inp (generated)

000407179.b3lyp_6-31g(d).smash.inp (generated)

000407179.b3lyp_6-31g(d).nwchem.inp (generated) 000407179.b3lyp_6-31g(d).log.xz 000407179.td-b3lyp_6-31g+(d).inp 000407179.td-b3lyp_6-31g+(d).log.xz

000407179.td-b3lyp_6-31+g(d).qchem.inp (generated)

000407179.td-b3lyp_6-31+g(d).gjf (generated)

000407179.td-b3lyp_6-31+g(d).firefly.inp (generated)

000407179.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000407179.mol 000407179.PUBCHEM 000407179.mol (via Jmol)
000407183.b3lyp_6-31g(d).inp

000407183.b3lyp_6-31g(d).qchem.inp (generated)

000407183.b3lyp_6-31g(d).gjf (generated)

000407183.b3lyp_6-31g(d).firefly.inp (generated)

000407183.b3lyp_6-31g(d).smash.inp (generated)

000407183.b3lyp_6-31g(d).nwchem.inp (generated) 000407183.b3lyp_6-31g(d).log.xz 000407183.td-b3lyp_6-31g+(d).inp 000407183.td-b3lyp_6-31g+(d).log.xz

000407183.td-b3lyp_6-31+g(d).qchem.inp (generated)

000407183.td-b3lyp_6-31+g(d).gjf (generated)

000407183.td-b3lyp_6-31+g(d).firefly.inp (generated)

000407183.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000407183.mol 000407183.PUBCHEM 000407183.mol (via Jmol)
000407185.b3lyp_6-31g(d).inp

000407185.b3lyp_6-31g(d).qchem.inp (generated)

000407185.b3lyp_6-31g(d).gjf (generated)

000407185.b3lyp_6-31g(d).firefly.inp (generated)

000407185.b3lyp_6-31g(d).smash.inp (generated)

000407185.b3lyp_6-31g(d).nwchem.inp (generated) 000407185.b3lyp_6-31g(d).log.xz 000407185.td-b3lyp_6-31g+(d).inp 000407185.td-b3lyp_6-31g+(d).log.xz

000407185.td-b3lyp_6-31+g(d).qchem.inp (generated)

000407185.td-b3lyp_6-31+g(d).gjf (generated)

000407185.td-b3lyp_6-31+g(d).firefly.inp (generated)

000407185.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000407185.mol 000407185.PUBCHEM 000407185.mol (via Jmol)
000407187.b3lyp_6-31g(d).inp

000407187.b3lyp_6-31g(d).qchem.inp (generated)

000407187.b3lyp_6-31g(d).gjf (generated)

000407187.b3lyp_6-31g(d).firefly.inp (generated)

000407187.b3lyp_6-31g(d).smash.inp (generated)

000407187.b3lyp_6-31g(d).nwchem.inp (generated) 000407187.b3lyp_6-31g(d).log.xz 000407187.td-b3lyp_6-31g+(d).inp 000407187.td-b3lyp_6-31g+(d).log.xz

000407187.td-b3lyp_6-31+g(d).qchem.inp (generated)

000407187.td-b3lyp_6-31+g(d).gjf (generated)

000407187.td-b3lyp_6-31+g(d).firefly.inp (generated)

000407187.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000407187.mol 000407187.PUBCHEM 000407187.mol (via Jmol)
000407189.b3lyp_6-31g(d).inp

000407189.b3lyp_6-31g(d).qchem.inp (generated)

000407189.b3lyp_6-31g(d).gjf (generated)

000407189.b3lyp_6-31g(d).firefly.inp (generated)

000407189.b3lyp_6-31g(d).smash.inp (generated)

000407189.b3lyp_6-31g(d).nwchem.inp (generated) 000407189.b3lyp_6-31g(d).log.xz 000407189.td-b3lyp_6-31g+(d).inp 000407189.td-b3lyp_6-31g+(d).log.xz

000407189.td-b3lyp_6-31+g(d).qchem.inp (generated)

000407189.td-b3lyp_6-31+g(d).gjf (generated)

000407189.td-b3lyp_6-31+g(d).firefly.inp (generated)

000407189.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000407189.mol 000407189.PUBCHEM 000407189.mol (via Jmol)
000407197.b3lyp_6-31g(d).inp

000407197.b3lyp_6-31g(d).qchem.inp (generated)

000407197.b3lyp_6-31g(d).gjf (generated)

000407197.b3lyp_6-31g(d).firefly.inp (generated)

000407197.b3lyp_6-31g(d).smash.inp (generated)

000407197.b3lyp_6-31g(d).nwchem.inp (generated) 000407197.b3lyp_6-31g(d).log.xz 000407197.td-b3lyp_6-31g+(d).inp 000407197.td-b3lyp_6-31g+(d).log.xz

000407197.td-b3lyp_6-31+g(d).qchem.inp (generated)

000407197.td-b3lyp_6-31+g(d).gjf (generated)

000407197.td-b3lyp_6-31+g(d).firefly.inp (generated)

000407197.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000407197.mol 000407197.PUBCHEM 000407197.mol (via Jmol)
000407198.b3lyp_6-31g(d).inp

000407198.b3lyp_6-31g(d).qchem.inp (generated)

000407198.b3lyp_6-31g(d).gjf (generated)

000407198.b3lyp_6-31g(d).firefly.inp (generated)

000407198.b3lyp_6-31g(d).smash.inp (generated)

000407198.b3lyp_6-31g(d).nwchem.inp (generated) 000407198.b3lyp_6-31g(d).log.xz 000407198.td-b3lyp_6-31g+(d).inp 000407198.td-b3lyp_6-31g+(d).log.xz

000407198.td-b3lyp_6-31+g(d).qchem.inp (generated)

000407198.td-b3lyp_6-31+g(d).gjf (generated)

000407198.td-b3lyp_6-31+g(d).firefly.inp (generated)

000407198.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000407198.mol 000407198.PUBCHEM 000407198.mol (via Jmol)
000407200.b3lyp_6-31g(d).inp

000407200.b3lyp_6-31g(d).qchem.inp (generated)

000407200.b3lyp_6-31g(d).gjf (generated)

000407200.b3lyp_6-31g(d).firefly.inp (generated)

000407200.b3lyp_6-31g(d).smash.inp (generated)

000407200.b3lyp_6-31g(d).nwchem.inp (generated) 000407200.b3lyp_6-31g(d).log.xz 000407200.td-b3lyp_6-31g+(d).inp 000407200.td-b3lyp_6-31g+(d).log.xz

000407200.td-b3lyp_6-31+g(d).qchem.inp (generated)

000407200.td-b3lyp_6-31+g(d).gjf (generated)

000407200.td-b3lyp_6-31+g(d).firefly.inp (generated)

000407200.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000407200.mol 000407200.PUBCHEM 000407200.mol (via Jmol)
000407215.b3lyp_6-31g(d).inp

000407215.b3lyp_6-31g(d).qchem.inp (generated)

000407215.b3lyp_6-31g(d).gjf (generated)

000407215.b3lyp_6-31g(d).firefly.inp (generated)

000407215.b3lyp_6-31g(d).smash.inp (generated)

000407215.b3lyp_6-31g(d).nwchem.inp (generated) 000407215.b3lyp_6-31g(d).log.xz 000407215.td-b3lyp_6-31g+(d).inp 000407215.td-b3lyp_6-31g+(d).log.xz

000407215.td-b3lyp_6-31+g(d).qchem.inp (generated)

000407215.td-b3lyp_6-31+g(d).gjf (generated)

000407215.td-b3lyp_6-31+g(d).firefly.inp (generated)

000407215.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000407215.mol 000407215.PUBCHEM 000407215.mol (via Jmol)
000407218.b3lyp_6-31g(d).inp

000407218.b3lyp_6-31g(d).qchem.inp (generated)

000407218.b3lyp_6-31g(d).gjf (generated)

000407218.b3lyp_6-31g(d).firefly.inp (generated)

000407218.b3lyp_6-31g(d).smash.inp (generated)

000407218.b3lyp_6-31g(d).nwchem.inp (generated) 000407218.b3lyp_6-31g(d).log.xz 000407218.td-b3lyp_6-31g+(d).inp 000407218.td-b3lyp_6-31g+(d).log.xz

000407218.td-b3lyp_6-31+g(d).qchem.inp (generated)

000407218.td-b3lyp_6-31+g(d).gjf (generated)

000407218.td-b3lyp_6-31+g(d).firefly.inp (generated)

000407218.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000407218.mol 000407218.PUBCHEM 000407218.mol (via Jmol)
000407221.b3lyp_6-31g(d).inp

000407221.b3lyp_6-31g(d).qchem.inp (generated)

000407221.b3lyp_6-31g(d).gjf (generated)

000407221.b3lyp_6-31g(d).firefly.inp (generated)

000407221.b3lyp_6-31g(d).smash.inp (generated)

000407221.b3lyp_6-31g(d).nwchem.inp (generated) 000407221.b3lyp_6-31g(d).log.xz 000407221.td-b3lyp_6-31g+(d).inp 000407221.td-b3lyp_6-31g+(d).log.xz

000407221.td-b3lyp_6-31+g(d).qchem.inp (generated)

000407221.td-b3lyp_6-31+g(d).gjf (generated)

000407221.td-b3lyp_6-31+g(d).firefly.inp (generated)

000407221.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000407221.mol 000407221.PUBCHEM 000407221.mol (via Jmol)
000407223.b3lyp_6-31g(d).inp

000407223.b3lyp_6-31g(d).qchem.inp (generated)

000407223.b3lyp_6-31g(d).gjf (generated)

000407223.b3lyp_6-31g(d).firefly.inp (generated)

000407223.b3lyp_6-31g(d).smash.inp (generated)

000407223.b3lyp_6-31g(d).nwchem.inp (generated) 000407223.b3lyp_6-31g(d).log.xz 000407223.td-b3lyp_6-31g+(d).inp 000407223.td-b3lyp_6-31g+(d).log.xz

000407223.td-b3lyp_6-31+g(d).qchem.inp (generated)

000407223.td-b3lyp_6-31+g(d).gjf (generated)

000407223.td-b3lyp_6-31+g(d).firefly.inp (generated)

000407223.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000407223.mol 000407223.PUBCHEM 000407223.mol (via Jmol)
000407228.b3lyp_6-31g(d).inp

000407228.b3lyp_6-31g(d).qchem.inp (generated)

000407228.b3lyp_6-31g(d).gjf (generated)

000407228.b3lyp_6-31g(d).firefly.inp (generated)

000407228.b3lyp_6-31g(d).smash.inp (generated)

000407228.b3lyp_6-31g(d).nwchem.inp (generated) 000407228.b3lyp_6-31g(d).log.xz 000407228.td-b3lyp_6-31g+(d).inp 000407228.td-b3lyp_6-31g+(d).log.xz

000407228.td-b3lyp_6-31+g(d).qchem.inp (generated)

000407228.td-b3lyp_6-31+g(d).gjf (generated)

000407228.td-b3lyp_6-31+g(d).firefly.inp (generated)

000407228.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000407228.mol 000407228.PUBCHEM 000407228.mol (via Jmol)
000407250.b3lyp_6-31g(d).inp

000407250.b3lyp_6-31g(d).qchem.inp (generated)

000407250.b3lyp_6-31g(d).gjf (generated)

000407250.b3lyp_6-31g(d).firefly.inp (generated)

000407250.b3lyp_6-31g(d).smash.inp (generated)

000407250.b3lyp_6-31g(d).nwchem.inp (generated) 000407250.b3lyp_6-31g(d).log.xz 000407250.td-b3lyp_6-31g+(d).inp 000407250.td-b3lyp_6-31g+(d).log.xz

000407250.td-b3lyp_6-31+g(d).qchem.inp (generated)

000407250.td-b3lyp_6-31+g(d).gjf (generated)

000407250.td-b3lyp_6-31+g(d).firefly.inp (generated)

000407250.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000407250.mol 000407250.PUBCHEM 000407250.mol (via Jmol)
000407255.b3lyp_6-31g(d).inp

000407255.b3lyp_6-31g(d).qchem.inp (generated)

000407255.b3lyp_6-31g(d).gjf (generated)

000407255.b3lyp_6-31g(d).firefly.inp (generated)

000407255.b3lyp_6-31g(d).smash.inp (generated)

000407255.b3lyp_6-31g(d).nwchem.inp (generated) 000407255.b3lyp_6-31g(d).log.xz 000407255.td-b3lyp_6-31g+(d).inp 000407255.td-b3lyp_6-31g+(d).log.xz

000407255.td-b3lyp_6-31+g(d).qchem.inp (generated)

000407255.td-b3lyp_6-31+g(d).gjf (generated)

000407255.td-b3lyp_6-31+g(d).firefly.inp (generated)

000407255.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000407255.mol 000407255.PUBCHEM 000407255.mol (via Jmol)
000407256.b3lyp_6-31g(d).inp

000407256.b3lyp_6-31g(d).qchem.inp (generated)

000407256.b3lyp_6-31g(d).gjf (generated)

000407256.b3lyp_6-31g(d).firefly.inp (generated)

000407256.b3lyp_6-31g(d).smash.inp (generated)

000407256.b3lyp_6-31g(d).nwchem.inp (generated) 000407256.b3lyp_6-31g(d).log.xz 000407256.td-b3lyp_6-31g+(d).inp 000407256.td-b3lyp_6-31g+(d).log.xz

000407256.td-b3lyp_6-31+g(d).qchem.inp (generated)

000407256.td-b3lyp_6-31+g(d).gjf (generated)

000407256.td-b3lyp_6-31+g(d).firefly.inp (generated)

000407256.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000407256.mol 000407256.PUBCHEM 000407256.mol (via Jmol)
000407257.b3lyp_6-31g(d).inp

000407257.b3lyp_6-31g(d).qchem.inp (generated)

000407257.b3lyp_6-31g(d).gjf (generated)

000407257.b3lyp_6-31g(d).firefly.inp (generated)

000407257.b3lyp_6-31g(d).smash.inp (generated)

000407257.b3lyp_6-31g(d).nwchem.inp (generated) 000407257.b3lyp_6-31g(d).log.xz 000407257.td-b3lyp_6-31g+(d).inp 000407257.td-b3lyp_6-31g+(d).log.xz

000407257.td-b3lyp_6-31+g(d).qchem.inp (generated)

000407257.td-b3lyp_6-31+g(d).gjf (generated)

000407257.td-b3lyp_6-31+g(d).firefly.inp (generated)

000407257.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000407257.mol 000407257.PUBCHEM 000407257.mol (via Jmol)
000407262.b3lyp_6-31g(d).inp

000407262.b3lyp_6-31g(d).qchem.inp (generated)

000407262.b3lyp_6-31g(d).gjf (generated)

000407262.b3lyp_6-31g(d).firefly.inp (generated)

000407262.b3lyp_6-31g(d).smash.inp (generated)

000407262.b3lyp_6-31g(d).nwchem.inp (generated) 000407262.b3lyp_6-31g(d).log.xz 000407262.td-b3lyp_6-31g+(d).inp 000407262.td-b3lyp_6-31g+(d).log.xz

000407262.td-b3lyp_6-31+g(d).qchem.inp (generated)

000407262.td-b3lyp_6-31+g(d).gjf (generated)

000407262.td-b3lyp_6-31+g(d).firefly.inp (generated)

000407262.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000407262.mol 000407262.PUBCHEM 000407262.mol (via Jmol)
000407276.b3lyp_6-31g(d).inp

000407276.b3lyp_6-31g(d).qchem.inp (generated)

000407276.b3lyp_6-31g(d).gjf (generated)

000407276.b3lyp_6-31g(d).firefly.inp (generated)

000407276.b3lyp_6-31g(d).smash.inp (generated)

000407276.b3lyp_6-31g(d).nwchem.inp (generated) 000407276.b3lyp_6-31g(d).log.xz 000407276.td-b3lyp_6-31g+(d).inp 000407276.td-b3lyp_6-31g+(d).log.xz

000407276.td-b3lyp_6-31+g(d).qchem.inp (generated)

000407276.td-b3lyp_6-31+g(d).gjf (generated)

000407276.td-b3lyp_6-31+g(d).firefly.inp (generated)

000407276.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000407276.mol 000407276.PUBCHEM 000407276.mol (via Jmol)
000407283.b3lyp_6-31g(d).inp

000407283.b3lyp_6-31g(d).qchem.inp (generated)

000407283.b3lyp_6-31g(d).gjf (generated)

000407283.b3lyp_6-31g(d).firefly.inp (generated)

000407283.b3lyp_6-31g(d).smash.inp (generated)

000407283.b3lyp_6-31g(d).nwchem.inp (generated) 000407283.b3lyp_6-31g(d).log.xz 000407283.td-b3lyp_6-31g+(d).inp 000407283.td-b3lyp_6-31g+(d).log.xz

000407283.td-b3lyp_6-31+g(d).qchem.inp (generated)

000407283.td-b3lyp_6-31+g(d).gjf (generated)

000407283.td-b3lyp_6-31+g(d).firefly.inp (generated)

000407283.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000407283.mol 000407283.PUBCHEM 000407283.mol (via Jmol)
000407284.b3lyp_6-31g(d).inp

000407284.b3lyp_6-31g(d).qchem.inp (generated)

000407284.b3lyp_6-31g(d).gjf (generated)

000407284.b3lyp_6-31g(d).firefly.inp (generated)

000407284.b3lyp_6-31g(d).smash.inp (generated)

000407284.b3lyp_6-31g(d).nwchem.inp (generated) 000407284.b3lyp_6-31g(d).log.xz 000407284.td-b3lyp_6-31g+(d).inp 000407284.td-b3lyp_6-31g+(d).log.xz

000407284.td-b3lyp_6-31+g(d).qchem.inp (generated)

000407284.td-b3lyp_6-31+g(d).gjf (generated)

000407284.td-b3lyp_6-31+g(d).firefly.inp (generated)

000407284.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000407284.mol 000407284.PUBCHEM 000407284.mol (via Jmol)
000407285.b3lyp_6-31g(d).inp

000407285.b3lyp_6-31g(d).qchem.inp (generated)

000407285.b3lyp_6-31g(d).gjf (generated)

000407285.b3lyp_6-31g(d).firefly.inp (generated)

000407285.b3lyp_6-31g(d).smash.inp (generated)

000407285.b3lyp_6-31g(d).nwchem.inp (generated) 000407285.b3lyp_6-31g(d).log.xz 000407285.td-b3lyp_6-31g+(d).inp 000407285.td-b3lyp_6-31g+(d).log.xz

000407285.td-b3lyp_6-31+g(d).qchem.inp (generated)

000407285.td-b3lyp_6-31+g(d).gjf (generated)

000407285.td-b3lyp_6-31+g(d).firefly.inp (generated)

000407285.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000407285.mol 000407285.PUBCHEM 000407285.mol (via Jmol)
000407289.b3lyp_6-31g(d).inp

000407289.b3lyp_6-31g(d).qchem.inp (generated)

000407289.b3lyp_6-31g(d).gjf (generated)

000407289.b3lyp_6-31g(d).firefly.inp (generated)

000407289.b3lyp_6-31g(d).smash.inp (generated)

000407289.b3lyp_6-31g(d).nwchem.inp (generated) 000407289.b3lyp_6-31g(d).log.xz 000407289.td-b3lyp_6-31g+(d).inp 000407289.td-b3lyp_6-31g+(d).log.xz

000407289.td-b3lyp_6-31+g(d).qchem.inp (generated)

000407289.td-b3lyp_6-31+g(d).gjf (generated)

000407289.td-b3lyp_6-31+g(d).firefly.inp (generated)

000407289.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000407289.mol 000407289.PUBCHEM 000407289.mol (via Jmol)
000407304.b3lyp_6-31g(d).inp

000407304.b3lyp_6-31g(d).qchem.inp (generated)

000407304.b3lyp_6-31g(d).gjf (generated)

000407304.b3lyp_6-31g(d).firefly.inp (generated)

000407304.b3lyp_6-31g(d).smash.inp (generated)

000407304.b3lyp_6-31g(d).nwchem.inp (generated) 000407304.b3lyp_6-31g(d).log.xz 000407304.td-b3lyp_6-31g+(d).inp 000407304.td-b3lyp_6-31g+(d).log.xz

000407304.td-b3lyp_6-31+g(d).qchem.inp (generated)

000407304.td-b3lyp_6-31+g(d).gjf (generated)

000407304.td-b3lyp_6-31+g(d).firefly.inp (generated)

000407304.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000407304.mol 000407304.PUBCHEM 000407304.mol (via Jmol)
000407305.b3lyp_6-31g(d).inp

000407305.b3lyp_6-31g(d).qchem.inp (generated)

000407305.b3lyp_6-31g(d).gjf (generated)

000407305.b3lyp_6-31g(d).firefly.inp (generated)

000407305.b3lyp_6-31g(d).smash.inp (generated)

000407305.b3lyp_6-31g(d).nwchem.inp (generated) 000407305.b3lyp_6-31g(d).log.xz 000407305.td-b3lyp_6-31g+(d).inp 000407305.td-b3lyp_6-31g+(d).log.xz

000407305.td-b3lyp_6-31+g(d).qchem.inp (generated)

000407305.td-b3lyp_6-31+g(d).gjf (generated)

000407305.td-b3lyp_6-31+g(d).firefly.inp (generated)

000407305.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000407305.mol 000407305.PUBCHEM 000407305.mol (via Jmol)
000407308.b3lyp_6-31g(d).inp

000407308.b3lyp_6-31g(d).qchem.inp (generated)

000407308.b3lyp_6-31g(d).gjf (generated)

000407308.b3lyp_6-31g(d).firefly.inp (generated)

000407308.b3lyp_6-31g(d).smash.inp (generated)

000407308.b3lyp_6-31g(d).nwchem.inp (generated) 000407308.b3lyp_6-31g(d).log.xz 000407308.td-b3lyp_6-31g+(d).inp 000407308.td-b3lyp_6-31g+(d).log.xz

000407308.td-b3lyp_6-31+g(d).qchem.inp (generated)

000407308.td-b3lyp_6-31+g(d).gjf (generated)

000407308.td-b3lyp_6-31+g(d).firefly.inp (generated)

000407308.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000407308.mol 000407308.PUBCHEM 000407308.mol (via Jmol)
000407309.b3lyp_6-31g(d).inp

000407309.b3lyp_6-31g(d).qchem.inp (generated)

000407309.b3lyp_6-31g(d).gjf (generated)

000407309.b3lyp_6-31g(d).firefly.inp (generated)

000407309.b3lyp_6-31g(d).smash.inp (generated)

000407309.b3lyp_6-31g(d).nwchem.inp (generated) 000407309.b3lyp_6-31g(d).log.xz 000407309.td-b3lyp_6-31g+(d).inp 000407309.td-b3lyp_6-31g+(d).log.xz

000407309.td-b3lyp_6-31+g(d).qchem.inp (generated)

000407309.td-b3lyp_6-31+g(d).gjf (generated)

000407309.td-b3lyp_6-31+g(d).firefly.inp (generated)

000407309.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000407309.mol 000407309.PUBCHEM 000407309.mol (via Jmol)
000407310.b3lyp_6-31g(d).inp

000407310.b3lyp_6-31g(d).qchem.inp (generated)

000407310.b3lyp_6-31g(d).gjf (generated)

000407310.b3lyp_6-31g(d).firefly.inp (generated)

000407310.b3lyp_6-31g(d).smash.inp (generated)

000407310.b3lyp_6-31g(d).nwchem.inp (generated) 000407310.b3lyp_6-31g(d).log.xz 000407310.td-b3lyp_6-31g+(d).inp 000407310.td-b3lyp_6-31g+(d).log.xz

000407310.td-b3lyp_6-31+g(d).qchem.inp (generated)

000407310.td-b3lyp_6-31+g(d).gjf (generated)

000407310.td-b3lyp_6-31+g(d).firefly.inp (generated)

000407310.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000407310.mol 000407310.PUBCHEM 000407310.mol (via Jmol)
000407311.b3lyp_6-31g(d).inp

000407311.b3lyp_6-31g(d).qchem.inp (generated)

000407311.b3lyp_6-31g(d).gjf (generated)

000407311.b3lyp_6-31g(d).firefly.inp (generated)

000407311.b3lyp_6-31g(d).smash.inp (generated)

000407311.b3lyp_6-31g(d).nwchem.inp (generated) 000407311.b3lyp_6-31g(d).log.xz 000407311.td-b3lyp_6-31g+(d).inp 000407311.td-b3lyp_6-31g+(d).log.xz

000407311.td-b3lyp_6-31+g(d).qchem.inp (generated)

000407311.td-b3lyp_6-31+g(d).gjf (generated)

000407311.td-b3lyp_6-31+g(d).firefly.inp (generated)

000407311.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000407311.mol 000407311.PUBCHEM 000407311.mol (via Jmol)
000407312.b3lyp_6-31g(d).inp

000407312.b3lyp_6-31g(d).qchem.inp (generated)

000407312.b3lyp_6-31g(d).gjf (generated)

000407312.b3lyp_6-31g(d).firefly.inp (generated)

000407312.b3lyp_6-31g(d).smash.inp (generated)

000407312.b3lyp_6-31g(d).nwchem.inp (generated) 000407312.b3lyp_6-31g(d).log.xz 000407312.td-b3lyp_6-31g+(d).inp 000407312.td-b3lyp_6-31g+(d).log.xz

000407312.td-b3lyp_6-31+g(d).qchem.inp (generated)

000407312.td-b3lyp_6-31+g(d).gjf (generated)

000407312.td-b3lyp_6-31+g(d).firefly.inp (generated)

000407312.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000407312.mol 000407312.PUBCHEM 000407312.mol (via Jmol)
000407314.b3lyp_6-31g(d).inp

000407314.b3lyp_6-31g(d).qchem.inp (generated)

000407314.b3lyp_6-31g(d).gjf (generated)

000407314.b3lyp_6-31g(d).firefly.inp (generated)

000407314.b3lyp_6-31g(d).smash.inp (generated)

000407314.b3lyp_6-31g(d).nwchem.inp (generated) 000407314.b3lyp_6-31g(d).log.xz 000407314.td-b3lyp_6-31g+(d).inp 000407314.td-b3lyp_6-31g+(d).log.xz

000407314.td-b3lyp_6-31+g(d).qchem.inp (generated)

000407314.td-b3lyp_6-31+g(d).gjf (generated)

000407314.td-b3lyp_6-31+g(d).firefly.inp (generated)

000407314.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000407314.mol 000407314.PUBCHEM 000407314.mol (via Jmol)
000407315.b3lyp_6-31g(d).inp

000407315.b3lyp_6-31g(d).qchem.inp (generated)

000407315.b3lyp_6-31g(d).gjf (generated)

000407315.b3lyp_6-31g(d).firefly.inp (generated)

000407315.b3lyp_6-31g(d).smash.inp (generated)

000407315.b3lyp_6-31g(d).nwchem.inp (generated) 000407315.b3lyp_6-31g(d).log.xz 000407315.mol 000407315.PUBCHEM 000407315.mol (via Jmol)
000407322.b3lyp_6-31g(d).inp

000407322.b3lyp_6-31g(d).qchem.inp (generated)

000407322.b3lyp_6-31g(d).gjf (generated)

000407322.b3lyp_6-31g(d).firefly.inp (generated)

000407322.b3lyp_6-31g(d).smash.inp (generated)

000407322.b3lyp_6-31g(d).nwchem.inp (generated) 000407322.b3lyp_6-31g(d).log.xz 000407322.td-b3lyp_6-31g+(d).inp 000407322.td-b3lyp_6-31g+(d).log.xz

000407322.td-b3lyp_6-31+g(d).qchem.inp (generated)

000407322.td-b3lyp_6-31+g(d).gjf (generated)

000407322.td-b3lyp_6-31+g(d).firefly.inp (generated)

000407322.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000407322.mol 000407322.PUBCHEM 000407322.mol (via Jmol)
000407323.b3lyp_6-31g(d).inp

000407323.b3lyp_6-31g(d).qchem.inp (generated)

000407323.b3lyp_6-31g(d).gjf (generated)

000407323.b3lyp_6-31g(d).firefly.inp (generated)

000407323.b3lyp_6-31g(d).smash.inp (generated)

000407323.b3lyp_6-31g(d).nwchem.inp (generated) 000407323.b3lyp_6-31g(d).log.xz 000407323.td-b3lyp_6-31g+(d).inp 000407323.td-b3lyp_6-31g+(d).log.xz

000407323.td-b3lyp_6-31+g(d).qchem.inp (generated)

000407323.td-b3lyp_6-31+g(d).gjf (generated)

000407323.td-b3lyp_6-31+g(d).firefly.inp (generated)

000407323.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000407323.mol 000407323.PUBCHEM 000407323.mol (via Jmol)
000407359.b3lyp_6-31g(d).inp

000407359.b3lyp_6-31g(d).qchem.inp (generated)

000407359.b3lyp_6-31g(d).gjf (generated)

000407359.b3lyp_6-31g(d).firefly.inp (generated)

000407359.b3lyp_6-31g(d).smash.inp (generated)

000407359.b3lyp_6-31g(d).nwchem.inp (generated) 000407359.b3lyp_6-31g(d).log.xz 000407359.td-b3lyp_6-31g+(d).inp 000407359.td-b3lyp_6-31g+(d).log.xz

000407359.td-b3lyp_6-31+g(d).qchem.inp (generated)

000407359.td-b3lyp_6-31+g(d).gjf (generated)

000407359.td-b3lyp_6-31+g(d).firefly.inp (generated)

000407359.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000407359.mol 000407359.PUBCHEM 000407359.mol (via Jmol)
000407364.b3lyp_6-31g(d).inp

000407364.b3lyp_6-31g(d).qchem.inp (generated)

000407364.b3lyp_6-31g(d).gjf (generated)

000407364.b3lyp_6-31g(d).firefly.inp (generated)

000407364.b3lyp_6-31g(d).smash.inp (generated)

000407364.b3lyp_6-31g(d).nwchem.inp (generated) 000407364.b3lyp_6-31g(d).log.xz 000407364.td-b3lyp_6-31g+(d).inp 000407364.td-b3lyp_6-31g+(d).log.xz

000407364.td-b3lyp_6-31+g(d).qchem.inp (generated)

000407364.td-b3lyp_6-31+g(d).gjf (generated)

000407364.td-b3lyp_6-31+g(d).firefly.inp (generated)

000407364.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000407364.mol 000407364.PUBCHEM 000407364.mol (via Jmol)
000407379.b3lyp_6-31g(d).inp

000407379.b3lyp_6-31g(d).qchem.inp (generated)

000407379.b3lyp_6-31g(d).gjf (generated)

000407379.b3lyp_6-31g(d).firefly.inp (generated)

000407379.b3lyp_6-31g(d).smash.inp (generated)

000407379.b3lyp_6-31g(d).nwchem.inp (generated) 000407379.b3lyp_6-31g(d).log.xz 000407379.td-b3lyp_6-31g+(d).inp 000407379.td-b3lyp_6-31g+(d).log.xz

000407379.td-b3lyp_6-31+g(d).qchem.inp (generated)

000407379.td-b3lyp_6-31+g(d).gjf (generated)

000407379.td-b3lyp_6-31+g(d).firefly.inp (generated)

000407379.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000407379.mol 000407379.PUBCHEM 000407379.mol (via Jmol)
000407380.b3lyp_6-31g(d).inp

000407380.b3lyp_6-31g(d).qchem.inp (generated)

000407380.b3lyp_6-31g(d).gjf (generated)

000407380.b3lyp_6-31g(d).firefly.inp (generated)

000407380.b3lyp_6-31g(d).smash.inp (generated)

000407380.b3lyp_6-31g(d).nwchem.inp (generated) 000407380.b3lyp_6-31g(d).log.xz 000407380.td-b3lyp_6-31g+(d).inp 000407380.td-b3lyp_6-31g+(d).log.xz

000407380.td-b3lyp_6-31+g(d).qchem.inp (generated)

000407380.td-b3lyp_6-31+g(d).gjf (generated)

000407380.td-b3lyp_6-31+g(d).firefly.inp (generated)

000407380.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000407380.mol 000407380.PUBCHEM 000407380.mol (via Jmol)
000407381.b3lyp_6-31g(d).inp

000407381.b3lyp_6-31g(d).qchem.inp (generated)

000407381.b3lyp_6-31g(d).gjf (generated)

000407381.b3lyp_6-31g(d).firefly.inp (generated)

000407381.b3lyp_6-31g(d).smash.inp (generated)

000407381.b3lyp_6-31g(d).nwchem.inp (generated) 000407381.b3lyp_6-31g(d).log.xz 000407381.td-b3lyp_6-31g+(d).inp 000407381.td-b3lyp_6-31g+(d).log.xz

000407381.td-b3lyp_6-31+g(d).qchem.inp (generated)

000407381.td-b3lyp_6-31+g(d).gjf (generated)

000407381.td-b3lyp_6-31+g(d).firefly.inp (generated)

000407381.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000407381.mol 000407381.PUBCHEM 000407381.mol (via Jmol)
000407391.b3lyp_6-31g(d).inp

000407391.b3lyp_6-31g(d).qchem.inp (generated)

000407391.b3lyp_6-31g(d).gjf (generated)

000407391.b3lyp_6-31g(d).firefly.inp (generated)

000407391.b3lyp_6-31g(d).smash.inp (generated)

000407391.b3lyp_6-31g(d).nwchem.inp (generated) 000407391.b3lyp_6-31g(d).log.xz 000407391.td-b3lyp_6-31g+(d).inp 000407391.td-b3lyp_6-31g+(d).log.xz

000407391.td-b3lyp_6-31+g(d).qchem.inp (generated)

000407391.td-b3lyp_6-31+g(d).gjf (generated)

000407391.td-b3lyp_6-31+g(d).firefly.inp (generated)

000407391.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000407391.mol 000407391.PUBCHEM 000407391.mol (via Jmol)
000407392.b3lyp_6-31g(d).inp

000407392.b3lyp_6-31g(d).qchem.inp (generated)

000407392.b3lyp_6-31g(d).gjf (generated)

000407392.b3lyp_6-31g(d).firefly.inp (generated)

000407392.b3lyp_6-31g(d).smash.inp (generated)

000407392.b3lyp_6-31g(d).nwchem.inp (generated) 000407392.b3lyp_6-31g(d).log.xz 000407392.td-b3lyp_6-31g+(d).inp 000407392.td-b3lyp_6-31g+(d).log.xz

000407392.td-b3lyp_6-31+g(d).qchem.inp (generated)

000407392.td-b3lyp_6-31+g(d).gjf (generated)

000407392.td-b3lyp_6-31+g(d).firefly.inp (generated)

000407392.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000407392.mol 000407392.PUBCHEM 000407392.mol (via Jmol)
000407405.b3lyp_6-31g(d).inp

000407405.b3lyp_6-31g(d).qchem.inp (generated)

000407405.b3lyp_6-31g(d).gjf (generated)

000407405.b3lyp_6-31g(d).firefly.inp (generated)

000407405.b3lyp_6-31g(d).smash.inp (generated)

000407405.b3lyp_6-31g(d).nwchem.inp (generated) 000407405.b3lyp_6-31g(d).log.xz 000407405.td-b3lyp_6-31g+(d).inp 000407405.td-b3lyp_6-31g+(d).log.xz

000407405.td-b3lyp_6-31+g(d).qchem.inp (generated)

000407405.td-b3lyp_6-31+g(d).gjf (generated)

000407405.td-b3lyp_6-31+g(d).firefly.inp (generated)

000407405.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000407405.mol 000407405.PUBCHEM 000407405.mol (via Jmol)
000407421.b3lyp_6-31g(d).inp

000407421.b3lyp_6-31g(d).qchem.inp (generated)

000407421.b3lyp_6-31g(d).gjf (generated)

000407421.b3lyp_6-31g(d).firefly.inp (generated)

000407421.b3lyp_6-31g(d).smash.inp (generated)

000407421.b3lyp_6-31g(d).nwchem.inp (generated) 000407421.b3lyp_6-31g(d).log.xz 000407421.td-b3lyp_6-31g+(d).inp 000407421.td-b3lyp_6-31g+(d).log.xz

000407421.td-b3lyp_6-31+g(d).qchem.inp (generated)

000407421.td-b3lyp_6-31+g(d).gjf (generated)

000407421.td-b3lyp_6-31+g(d).firefly.inp (generated)

000407421.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000407421.mol 000407421.PUBCHEM 000407421.mol (via Jmol)
000407432.b3lyp_6-31g(d).inp

000407432.b3lyp_6-31g(d).qchem.inp (generated)

000407432.b3lyp_6-31g(d).gjf (generated)

000407432.b3lyp_6-31g(d).firefly.inp (generated)

000407432.b3lyp_6-31g(d).smash.inp (generated)

000407432.b3lyp_6-31g(d).nwchem.inp (generated) 000407432.b3lyp_6-31g(d).log.xz 000407432.td-b3lyp_6-31g+(d).inp 000407432.td-b3lyp_6-31g+(d).log.xz

000407432.td-b3lyp_6-31+g(d).qchem.inp (generated)

000407432.td-b3lyp_6-31+g(d).gjf (generated)

000407432.td-b3lyp_6-31+g(d).firefly.inp (generated)

000407432.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000407432.mol 000407432.PUBCHEM 000407432.mol (via Jmol)
000407433.b3lyp_6-31g(d).inp

000407433.b3lyp_6-31g(d).qchem.inp (generated)

000407433.b3lyp_6-31g(d).gjf (generated)

000407433.b3lyp_6-31g(d).firefly.inp (generated)

000407433.b3lyp_6-31g(d).smash.inp (generated)

000407433.b3lyp_6-31g(d).nwchem.inp (generated) 000407433.b3lyp_6-31g(d).log.xz 000407433.td-b3lyp_6-31g+(d).inp 000407433.td-b3lyp_6-31g+(d).log.xz

000407433.td-b3lyp_6-31+g(d).qchem.inp (generated)

000407433.td-b3lyp_6-31+g(d).gjf (generated)

000407433.td-b3lyp_6-31+g(d).firefly.inp (generated)

000407433.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000407433.mol 000407433.PUBCHEM 000407433.mol (via Jmol)
000407434.b3lyp_6-31g(d).inp

000407434.b3lyp_6-31g(d).qchem.inp (generated)

000407434.b3lyp_6-31g(d).gjf (generated)

000407434.b3lyp_6-31g(d).firefly.inp (generated)

000407434.b3lyp_6-31g(d).smash.inp (generated)

000407434.b3lyp_6-31g(d).nwchem.inp (generated) 000407434.b3lyp_6-31g(d).log.xz 000407434.td-b3lyp_6-31g+(d).inp 000407434.td-b3lyp_6-31g+(d).log.xz

000407434.td-b3lyp_6-31+g(d).qchem.inp (generated)

000407434.td-b3lyp_6-31+g(d).gjf (generated)

000407434.td-b3lyp_6-31+g(d).firefly.inp (generated)

000407434.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000407434.mol 000407434.PUBCHEM 000407434.mol (via Jmol)
000407447.b3lyp_6-31g(d).inp

000407447.b3lyp_6-31g(d).qchem.inp (generated)

000407447.b3lyp_6-31g(d).gjf (generated)

000407447.b3lyp_6-31g(d).firefly.inp (generated)

000407447.b3lyp_6-31g(d).smash.inp (generated)

000407447.b3lyp_6-31g(d).nwchem.inp (generated) 000407447.b3lyp_6-31g(d).log.xz 000407447.td-b3lyp_6-31g+(d).inp 000407447.td-b3lyp_6-31g+(d).log.xz

000407447.td-b3lyp_6-31+g(d).qchem.inp (generated)

000407447.td-b3lyp_6-31+g(d).gjf (generated)

000407447.td-b3lyp_6-31+g(d).firefly.inp (generated)

000407447.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000407447.mol 000407447.PUBCHEM 000407447.mol (via Jmol)
000407448.b3lyp_6-31g(d).inp

000407448.b3lyp_6-31g(d).qchem.inp (generated)

000407448.b3lyp_6-31g(d).gjf (generated)

000407448.b3lyp_6-31g(d).firefly.inp (generated)

000407448.b3lyp_6-31g(d).smash.inp (generated)

000407448.b3lyp_6-31g(d).nwchem.inp (generated) 000407448.b3lyp_6-31g(d).log.xz 000407448.td-b3lyp_6-31g+(d).inp 000407448.td-b3lyp_6-31g+(d).log.xz

000407448.td-b3lyp_6-31+g(d).qchem.inp (generated)

000407448.td-b3lyp_6-31+g(d).gjf (generated)

000407448.td-b3lyp_6-31+g(d).firefly.inp (generated)

000407448.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000407448.mol 000407448.PUBCHEM 000407448.mol (via Jmol)
000407462.b3lyp_6-31g(d).inp

000407462.b3lyp_6-31g(d).qchem.inp (generated)

000407462.b3lyp_6-31g(d).gjf (generated)

000407462.b3lyp_6-31g(d).firefly.inp (generated)

000407462.b3lyp_6-31g(d).smash.inp (generated)

000407462.b3lyp_6-31g(d).nwchem.inp (generated) 000407462.b3lyp_6-31g(d).log.xz 000407462.td-b3lyp_6-31g+(d).inp 000407462.td-b3lyp_6-31g+(d).log.xz

000407462.td-b3lyp_6-31+g(d).qchem.inp (generated)

000407462.td-b3lyp_6-31+g(d).gjf (generated)

000407462.td-b3lyp_6-31+g(d).firefly.inp (generated)

000407462.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000407462.mol 000407462.PUBCHEM 000407462.mol (via Jmol)
000407468.b3lyp_6-31g(d).inp

000407468.b3lyp_6-31g(d).qchem.inp (generated)

000407468.b3lyp_6-31g(d).gjf (generated)

000407468.b3lyp_6-31g(d).firefly.inp (generated)

000407468.b3lyp_6-31g(d).smash.inp (generated)

000407468.b3lyp_6-31g(d).nwchem.inp (generated) 000407468.b3lyp_6-31g(d).log.xz 000407468.td-b3lyp_6-31g+(d).inp 000407468.td-b3lyp_6-31g+(d).log.xz

000407468.td-b3lyp_6-31+g(d).qchem.inp (generated)

000407468.td-b3lyp_6-31+g(d).gjf (generated)

000407468.td-b3lyp_6-31+g(d).firefly.inp (generated)

000407468.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000407468.mol 000407468.PUBCHEM 000407468.mol (via Jmol)
000407470.b3lyp_6-31g(d).inp

000407470.b3lyp_6-31g(d).qchem.inp (generated)

000407470.b3lyp_6-31g(d).gjf (generated)

000407470.b3lyp_6-31g(d).firefly.inp (generated)

000407470.b3lyp_6-31g(d).smash.inp (generated)

000407470.b3lyp_6-31g(d).nwchem.inp (generated) 000407470.b3lyp_6-31g(d).log.xz 000407470.td-b3lyp_6-31g+(d).inp 000407470.td-b3lyp_6-31g+(d).log.xz

000407470.td-b3lyp_6-31+g(d).qchem.inp (generated)

000407470.td-b3lyp_6-31+g(d).gjf (generated)

000407470.td-b3lyp_6-31+g(d).firefly.inp (generated)

000407470.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000407470.mol 000407470.PUBCHEM 000407470.mol (via Jmol)
000407498.b3lyp_6-31g(d).inp

000407498.b3lyp_6-31g(d).qchem.inp (generated)

000407498.b3lyp_6-31g(d).gjf (generated)

000407498.b3lyp_6-31g(d).firefly.inp (generated)

000407498.b3lyp_6-31g(d).smash.inp (generated)

000407498.b3lyp_6-31g(d).nwchem.inp (generated) 000407498.b3lyp_6-31g(d).log.xz 000407498.td-b3lyp_6-31g+(d).inp 000407498.td-b3lyp_6-31g+(d).log.xz

000407498.td-b3lyp_6-31+g(d).qchem.inp (generated)

000407498.td-b3lyp_6-31+g(d).gjf (generated)

000407498.td-b3lyp_6-31+g(d).firefly.inp (generated)

000407498.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000407498.mol 000407498.PUBCHEM 000407498.mol (via Jmol)
000407500.b3lyp_6-31g(d).inp

000407500.b3lyp_6-31g(d).qchem.inp (generated)

000407500.b3lyp_6-31g(d).gjf (generated)

000407500.b3lyp_6-31g(d).firefly.inp (generated)

000407500.b3lyp_6-31g(d).smash.inp (generated)

000407500.b3lyp_6-31g(d).nwchem.inp (generated) 000407500.b3lyp_6-31g(d).log.xz 000407500.td-b3lyp_6-31g+(d).inp 000407500.td-b3lyp_6-31g+(d).log.xz

000407500.td-b3lyp_6-31+g(d).qchem.inp (generated)

000407500.td-b3lyp_6-31+g(d).gjf (generated)

000407500.td-b3lyp_6-31+g(d).firefly.inp (generated)

000407500.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000407500.mol 000407500.PUBCHEM 000407500.mol (via Jmol)
000407511.b3lyp_6-31g(d).inp

000407511.b3lyp_6-31g(d).qchem.inp (generated)

000407511.b3lyp_6-31g(d).gjf (generated)

000407511.b3lyp_6-31g(d).firefly.inp (generated)

000407511.b3lyp_6-31g(d).smash.inp (generated)

000407511.b3lyp_6-31g(d).nwchem.inp (generated) 000407511.b3lyp_6-31g(d).log.xz 000407511.td-b3lyp_6-31g+(d).inp 000407511.td-b3lyp_6-31g+(d).log.xz

000407511.td-b3lyp_6-31+g(d).qchem.inp (generated)

000407511.td-b3lyp_6-31+g(d).gjf (generated)

000407511.td-b3lyp_6-31+g(d).firefly.inp (generated)

000407511.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000407511.mol 000407511.PUBCHEM 000407511.mol (via Jmol)
000407512.b3lyp_6-31g(d).inp

000407512.b3lyp_6-31g(d).qchem.inp (generated)

000407512.b3lyp_6-31g(d).gjf (generated)

000407512.b3lyp_6-31g(d).firefly.inp (generated)

000407512.b3lyp_6-31g(d).smash.inp (generated)

000407512.b3lyp_6-31g(d).nwchem.inp (generated) 000407512.b3lyp_6-31g(d).log.xz 000407512.td-b3lyp_6-31g+(d).inp 000407512.td-b3lyp_6-31g+(d).log.xz

000407512.td-b3lyp_6-31+g(d).qchem.inp (generated)

000407512.td-b3lyp_6-31+g(d).gjf (generated)

000407512.td-b3lyp_6-31+g(d).firefly.inp (generated)

000407512.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000407512.mol 000407512.PUBCHEM 000407512.mol (via Jmol)
000407539.b3lyp_6-31g(d).inp

000407539.b3lyp_6-31g(d).qchem.inp (generated)

000407539.b3lyp_6-31g(d).gjf (generated)

000407539.b3lyp_6-31g(d).firefly.inp (generated)

000407539.b3lyp_6-31g(d).smash.inp (generated)

000407539.b3lyp_6-31g(d).nwchem.inp (generated) 000407539.b3lyp_6-31g(d).log.xz 000407539.td-b3lyp_6-31g+(d).inp 000407539.td-b3lyp_6-31g+(d).log.xz

000407539.td-b3lyp_6-31+g(d).qchem.inp (generated)

000407539.td-b3lyp_6-31+g(d).gjf (generated)

000407539.td-b3lyp_6-31+g(d).firefly.inp (generated)

000407539.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000407539.mol 000407539.PUBCHEM 000407539.mol (via Jmol)
000407544.b3lyp_6-31g(d).inp

000407544.b3lyp_6-31g(d).qchem.inp (generated)

000407544.b3lyp_6-31g(d).gjf (generated)

000407544.b3lyp_6-31g(d).firefly.inp (generated)

000407544.b3lyp_6-31g(d).smash.inp (generated)

000407544.b3lyp_6-31g(d).nwchem.inp (generated) 000407544.b3lyp_6-31g(d).log.xz 000407544.td-b3lyp_6-31g+(d).inp 000407544.td-b3lyp_6-31g+(d).log.xz

000407544.td-b3lyp_6-31+g(d).qchem.inp (generated)

000407544.td-b3lyp_6-31+g(d).gjf (generated)

000407544.td-b3lyp_6-31+g(d).firefly.inp (generated)

000407544.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000407544.mol 000407544.PUBCHEM 000407544.mol (via Jmol)
000407545.b3lyp_6-31g(d).inp

000407545.b3lyp_6-31g(d).qchem.inp (generated)

000407545.b3lyp_6-31g(d).gjf (generated)

000407545.b3lyp_6-31g(d).firefly.inp (generated)

000407545.b3lyp_6-31g(d).smash.inp (generated)

000407545.b3lyp_6-31g(d).nwchem.inp (generated) 000407545.b3lyp_6-31g(d).log.xz 000407545.td-b3lyp_6-31g+(d).inp 000407545.td-b3lyp_6-31g+(d).log.xz

000407545.td-b3lyp_6-31+g(d).qchem.inp (generated)

000407545.td-b3lyp_6-31+g(d).gjf (generated)

000407545.td-b3lyp_6-31+g(d).firefly.inp (generated)

000407545.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000407545.mol 000407545.PUBCHEM 000407545.mol (via Jmol)
000407546.b3lyp_6-31g(d).inp

000407546.b3lyp_6-31g(d).qchem.inp (generated)

000407546.b3lyp_6-31g(d).gjf (generated)

000407546.b3lyp_6-31g(d).firefly.inp (generated)

000407546.b3lyp_6-31g(d).smash.inp (generated)

000407546.b3lyp_6-31g(d).nwchem.inp (generated) 000407546.b3lyp_6-31g(d).log.xz 000407546.td-b3lyp_6-31g+(d).inp 000407546.td-b3lyp_6-31g+(d).log.xz

000407546.td-b3lyp_6-31+g(d).qchem.inp (generated)

000407546.td-b3lyp_6-31+g(d).gjf (generated)

000407546.td-b3lyp_6-31+g(d).firefly.inp (generated)

000407546.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000407546.mol 000407546.PUBCHEM 000407546.mol (via Jmol)
000407547.b3lyp_6-31g(d).inp

000407547.b3lyp_6-31g(d).qchem.inp (generated)

000407547.b3lyp_6-31g(d).gjf (generated)

000407547.b3lyp_6-31g(d).firefly.inp (generated)

000407547.b3lyp_6-31g(d).smash.inp (generated)

000407547.b3lyp_6-31g(d).nwchem.inp (generated) 000407547.b3lyp_6-31g(d).log.xz 000407547.td-b3lyp_6-31g+(d).inp 000407547.td-b3lyp_6-31g+(d).log.xz

000407547.td-b3lyp_6-31+g(d).qchem.inp (generated)

000407547.td-b3lyp_6-31+g(d).gjf (generated)

000407547.td-b3lyp_6-31+g(d).firefly.inp (generated)

000407547.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000407547.mol 000407547.PUBCHEM 000407547.mol (via Jmol)
000407548.b3lyp_6-31g(d).inp

000407548.b3lyp_6-31g(d).qchem.inp (generated)

000407548.b3lyp_6-31g(d).gjf (generated)

000407548.b3lyp_6-31g(d).firefly.inp (generated)

000407548.b3lyp_6-31g(d).smash.inp (generated)

000407548.b3lyp_6-31g(d).nwchem.inp (generated) 000407548.b3lyp_6-31g(d).log.xz 000407548.td-b3lyp_6-31g+(d).inp 000407548.td-b3lyp_6-31g+(d).log.xz

000407548.td-b3lyp_6-31+g(d).qchem.inp (generated)

000407548.td-b3lyp_6-31+g(d).gjf (generated)

000407548.td-b3lyp_6-31+g(d).firefly.inp (generated)

000407548.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000407548.mol 000407548.PUBCHEM 000407548.mol (via Jmol)
000407552.b3lyp_6-31g(d).inp

000407552.b3lyp_6-31g(d).qchem.inp (generated)

000407552.b3lyp_6-31g(d).gjf (generated)

000407552.b3lyp_6-31g(d).firefly.inp (generated)

000407552.b3lyp_6-31g(d).smash.inp (generated)

000407552.b3lyp_6-31g(d).nwchem.inp (generated) 000407552.b3lyp_6-31g(d).log.xz 000407552.td-b3lyp_6-31g+(d).inp 000407552.td-b3lyp_6-31g+(d).log.xz

000407552.td-b3lyp_6-31+g(d).qchem.inp (generated)

000407552.td-b3lyp_6-31+g(d).gjf (generated)

000407552.td-b3lyp_6-31+g(d).firefly.inp (generated)

000407552.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000407552.mol 000407552.PUBCHEM 000407552.mol (via Jmol)
000407578.b3lyp_6-31g(d).inp

000407578.b3lyp_6-31g(d).qchem.inp (generated)

000407578.b3lyp_6-31g(d).gjf (generated)

000407578.b3lyp_6-31g(d).firefly.inp (generated)

000407578.b3lyp_6-31g(d).smash.inp (generated)

000407578.b3lyp_6-31g(d).nwchem.inp (generated) 000407578.b3lyp_6-31g(d).log.xz 000407578.td-b3lyp_6-31g+(d).inp 000407578.td-b3lyp_6-31g+(d).log.xz

000407578.td-b3lyp_6-31+g(d).qchem.inp (generated)

000407578.td-b3lyp_6-31+g(d).gjf (generated)

000407578.td-b3lyp_6-31+g(d).firefly.inp (generated)

000407578.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000407578.mol 000407578.PUBCHEM 000407578.mol (via Jmol)
000407586.b3lyp_6-31g(d).inp

000407586.b3lyp_6-31g(d).qchem.inp (generated)

000407586.b3lyp_6-31g(d).gjf (generated)

000407586.b3lyp_6-31g(d).firefly.inp (generated)

000407586.b3lyp_6-31g(d).smash.inp (generated)

000407586.b3lyp_6-31g(d).nwchem.inp (generated) 000407586.b3lyp_6-31g(d).log.xz 000407586.td-b3lyp_6-31g+(d).inp 000407586.td-b3lyp_6-31g+(d).log.xz

000407586.td-b3lyp_6-31+g(d).qchem.inp (generated)

000407586.td-b3lyp_6-31+g(d).gjf (generated)

000407586.td-b3lyp_6-31+g(d).firefly.inp (generated)

000407586.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000407586.mol 000407586.PUBCHEM 000407586.mol (via Jmol)
000407588.b3lyp_6-31g(d).inp

000407588.b3lyp_6-31g(d).qchem.inp (generated)

000407588.b3lyp_6-31g(d).gjf (generated)

000407588.b3lyp_6-31g(d).firefly.inp (generated)

000407588.b3lyp_6-31g(d).smash.inp (generated)

000407588.b3lyp_6-31g(d).nwchem.inp (generated) 000407588.b3lyp_6-31g(d).log.xz 000407588.td-b3lyp_6-31g+(d).inp 000407588.td-b3lyp_6-31g+(d).log.xz

000407588.td-b3lyp_6-31+g(d).qchem.inp (generated)

000407588.td-b3lyp_6-31+g(d).gjf (generated)

000407588.td-b3lyp_6-31+g(d).firefly.inp (generated)

000407588.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000407588.mol 000407588.PUBCHEM 000407588.mol (via Jmol)
000407614.b3lyp_6-31g(d).inp

000407614.b3lyp_6-31g(d).qchem.inp (generated)

000407614.b3lyp_6-31g(d).gjf (generated)

000407614.b3lyp_6-31g(d).firefly.inp (generated)

000407614.b3lyp_6-31g(d).smash.inp (generated)

000407614.b3lyp_6-31g(d).nwchem.inp (generated) 000407614.b3lyp_6-31g(d).log.xz 000407614.td-b3lyp_6-31g+(d).inp 000407614.td-b3lyp_6-31g+(d).log.xz

000407614.td-b3lyp_6-31+g(d).qchem.inp (generated)

000407614.td-b3lyp_6-31+g(d).gjf (generated)

000407614.td-b3lyp_6-31+g(d).firefly.inp (generated)

000407614.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000407614.mol 000407614.PUBCHEM 000407614.mol (via Jmol)
000407623.b3lyp_6-31g(d).inp

000407623.b3lyp_6-31g(d).qchem.inp (generated)

000407623.b3lyp_6-31g(d).gjf (generated)

000407623.b3lyp_6-31g(d).firefly.inp (generated)

000407623.b3lyp_6-31g(d).smash.inp (generated)

000407623.b3lyp_6-31g(d).nwchem.inp (generated) 000407623.b3lyp_6-31g(d).log.xz 000407623.td-b3lyp_6-31g+(d).inp 000407623.td-b3lyp_6-31g+(d).log.xz

000407623.td-b3lyp_6-31+g(d).qchem.inp (generated)

000407623.td-b3lyp_6-31+g(d).gjf (generated)

000407623.td-b3lyp_6-31+g(d).firefly.inp (generated)

000407623.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000407623.mol 000407623.PUBCHEM 000407623.mol (via Jmol)
000407624.b3lyp_6-31g(d).inp

000407624.b3lyp_6-31g(d).qchem.inp (generated)

000407624.b3lyp_6-31g(d).gjf (generated)

000407624.b3lyp_6-31g(d).firefly.inp (generated)

000407624.b3lyp_6-31g(d).smash.inp (generated)

000407624.b3lyp_6-31g(d).nwchem.inp (generated) 000407624.b3lyp_6-31g(d).log.xz 000407624.td-b3lyp_6-31g+(d).inp 000407624.td-b3lyp_6-31g+(d).log.xz

000407624.td-b3lyp_6-31+g(d).qchem.inp (generated)

000407624.td-b3lyp_6-31+g(d).gjf (generated)

000407624.td-b3lyp_6-31+g(d).firefly.inp (generated)

000407624.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000407624.mol 000407624.PUBCHEM 000407624.mol (via Jmol)
000407629.b3lyp_6-31g(d).inp

000407629.b3lyp_6-31g(d).qchem.inp (generated)

000407629.b3lyp_6-31g(d).gjf (generated)

000407629.b3lyp_6-31g(d).firefly.inp (generated)

000407629.b3lyp_6-31g(d).smash.inp (generated)

000407629.b3lyp_6-31g(d).nwchem.inp (generated) 000407629.b3lyp_6-31g(d).log.xz 000407629.td-b3lyp_6-31g+(d).inp 000407629.td-b3lyp_6-31g+(d).log.xz

000407629.td-b3lyp_6-31+g(d).qchem.inp (generated)

000407629.td-b3lyp_6-31+g(d).gjf (generated)

000407629.td-b3lyp_6-31+g(d).firefly.inp (generated)

000407629.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000407629.mol 000407629.PUBCHEM 000407629.mol (via Jmol)
000407642.b3lyp_6-31g(d).inp

000407642.b3lyp_6-31g(d).qchem.inp (generated)

000407642.b3lyp_6-31g(d).gjf (generated)

000407642.b3lyp_6-31g(d).firefly.inp (generated)

000407642.b3lyp_6-31g(d).smash.inp (generated)

000407642.b3lyp_6-31g(d).nwchem.inp (generated) 000407642.b3lyp_6-31g(d).log.xz 000407642.td-b3lyp_6-31g+(d).inp 000407642.td-b3lyp_6-31g+(d).log.xz

000407642.td-b3lyp_6-31+g(d).qchem.inp (generated)

000407642.td-b3lyp_6-31+g(d).gjf (generated)

000407642.td-b3lyp_6-31+g(d).firefly.inp (generated)

000407642.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000407642.mol 000407642.PUBCHEM 000407642.mol (via Jmol)
000407651.b3lyp_6-31g(d).inp

000407651.b3lyp_6-31g(d).qchem.inp (generated)

000407651.b3lyp_6-31g(d).gjf (generated)

000407651.b3lyp_6-31g(d).firefly.inp (generated)

000407651.b3lyp_6-31g(d).smash.inp (generated)

000407651.b3lyp_6-31g(d).nwchem.inp (generated) 000407651.b3lyp_6-31g(d).log.xz 000407651.td-b3lyp_6-31g+(d).inp 000407651.td-b3lyp_6-31g+(d).log.xz

000407651.td-b3lyp_6-31+g(d).qchem.inp (generated)

000407651.td-b3lyp_6-31+g(d).gjf (generated)

000407651.td-b3lyp_6-31+g(d).firefly.inp (generated)

000407651.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000407651.mol 000407651.PUBCHEM 000407651.mol (via Jmol)
000407653.b3lyp_6-31g(d).inp

000407653.b3lyp_6-31g(d).qchem.inp (generated)

000407653.b3lyp_6-31g(d).gjf (generated)

000407653.b3lyp_6-31g(d).firefly.inp (generated)

000407653.b3lyp_6-31g(d).smash.inp (generated)

000407653.b3lyp_6-31g(d).nwchem.inp (generated) 000407653.b3lyp_6-31g(d).log.xz 000407653.td-b3lyp_6-31g+(d).inp 000407653.td-b3lyp_6-31g+(d).log.xz

000407653.td-b3lyp_6-31+g(d).qchem.inp (generated)

000407653.td-b3lyp_6-31+g(d).gjf (generated)

000407653.td-b3lyp_6-31+g(d).firefly.inp (generated)

000407653.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000407653.mol 000407653.PUBCHEM 000407653.mol (via Jmol)
000407658.b3lyp_6-31g(d).inp

000407658.b3lyp_6-31g(d).qchem.inp (generated)

000407658.b3lyp_6-31g(d).gjf (generated)

000407658.b3lyp_6-31g(d).firefly.inp (generated)

000407658.b3lyp_6-31g(d).smash.inp (generated)

000407658.b3lyp_6-31g(d).nwchem.inp (generated) 000407658.b3lyp_6-31g(d).log.xz 000407658.td-b3lyp_6-31g+(d).inp 000407658.td-b3lyp_6-31g+(d).log.xz

000407658.td-b3lyp_6-31+g(d).qchem.inp (generated)

000407658.td-b3lyp_6-31+g(d).gjf (generated)

000407658.td-b3lyp_6-31+g(d).firefly.inp (generated)

000407658.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000407658.mol 000407658.PUBCHEM 000407658.mol (via Jmol)
000407662.b3lyp_6-31g(d).inp

000407662.b3lyp_6-31g(d).qchem.inp (generated)

000407662.b3lyp_6-31g(d).gjf (generated)

000407662.b3lyp_6-31g(d).firefly.inp (generated)

000407662.b3lyp_6-31g(d).smash.inp (generated)

000407662.b3lyp_6-31g(d).nwchem.inp (generated) 000407662.b3lyp_6-31g(d).log.xz 000407662.td-b3lyp_6-31g+(d).inp 000407662.td-b3lyp_6-31g+(d).log.xz

000407662.td-b3lyp_6-31+g(d).qchem.inp (generated)

000407662.td-b3lyp_6-31+g(d).gjf (generated)

000407662.td-b3lyp_6-31+g(d).firefly.inp (generated)

000407662.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000407662.mol 000407662.PUBCHEM 000407662.mol (via Jmol)
000407664.b3lyp_6-31g(d).inp

000407664.b3lyp_6-31g(d).qchem.inp (generated)

000407664.b3lyp_6-31g(d).gjf (generated)

000407664.b3lyp_6-31g(d).firefly.inp (generated)

000407664.b3lyp_6-31g(d).smash.inp (generated)

000407664.b3lyp_6-31g(d).nwchem.inp (generated) 000407664.b3lyp_6-31g(d).log.xz 000407664.td-b3lyp_6-31g+(d).inp 000407664.td-b3lyp_6-31g+(d).log.xz

000407664.td-b3lyp_6-31+g(d).qchem.inp (generated)

000407664.td-b3lyp_6-31+g(d).gjf (generated)

000407664.td-b3lyp_6-31+g(d).firefly.inp (generated)

000407664.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000407664.mol 000407664.PUBCHEM 000407664.mol (via Jmol)
000407716.b3lyp_6-31g(d).inp

000407716.b3lyp_6-31g(d).qchem.inp (generated)

000407716.b3lyp_6-31g(d).gjf (generated)

000407716.b3lyp_6-31g(d).firefly.inp (generated)

000407716.b3lyp_6-31g(d).smash.inp (generated)

000407716.b3lyp_6-31g(d).nwchem.inp (generated) 000407716.b3lyp_6-31g(d).log.xz 000407716.td-b3lyp_6-31g+(d).inp 000407716.td-b3lyp_6-31g+(d).log.xz

000407716.td-b3lyp_6-31+g(d).qchem.inp (generated)

000407716.td-b3lyp_6-31+g(d).gjf (generated)

000407716.td-b3lyp_6-31+g(d).firefly.inp (generated)

000407716.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000407716.mol 000407716.PUBCHEM 000407716.mol (via Jmol)
000407722.b3lyp_6-31g(d).inp

000407722.b3lyp_6-31g(d).qchem.inp (generated)

000407722.b3lyp_6-31g(d).gjf (generated)

000407722.b3lyp_6-31g(d).firefly.inp (generated)

000407722.b3lyp_6-31g(d).smash.inp (generated)

000407722.b3lyp_6-31g(d).nwchem.inp (generated) 000407722.b3lyp_6-31g(d).log.xz 000407722.td-b3lyp_6-31g+(d).inp 000407722.td-b3lyp_6-31g+(d).log.xz

000407722.td-b3lyp_6-31+g(d).qchem.inp (generated)

000407722.td-b3lyp_6-31+g(d).gjf (generated)

000407722.td-b3lyp_6-31+g(d).firefly.inp (generated)

000407722.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000407722.mol 000407722.PUBCHEM 000407722.mol (via Jmol)
000407725.b3lyp_6-31g(d).inp

000407725.b3lyp_6-31g(d).qchem.inp (generated)

000407725.b3lyp_6-31g(d).gjf (generated)

000407725.b3lyp_6-31g(d).firefly.inp (generated)

000407725.b3lyp_6-31g(d).smash.inp (generated)

000407725.b3lyp_6-31g(d).nwchem.inp (generated) 000407725.b3lyp_6-31g(d).log.xz 000407725.td-b3lyp_6-31g+(d).inp 000407725.td-b3lyp_6-31g+(d).log.xz

000407725.td-b3lyp_6-31+g(d).qchem.inp (generated)

000407725.td-b3lyp_6-31+g(d).gjf (generated)

000407725.td-b3lyp_6-31+g(d).firefly.inp (generated)

000407725.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000407725.mol 000407725.PUBCHEM 000407725.mol (via Jmol)
000407726.b3lyp_6-31g(d).inp

000407726.b3lyp_6-31g(d).qchem.inp (generated)

000407726.b3lyp_6-31g(d).gjf (generated)

000407726.b3lyp_6-31g(d).firefly.inp (generated)

000407726.b3lyp_6-31g(d).smash.inp (generated)

000407726.b3lyp_6-31g(d).nwchem.inp (generated) 000407726.b3lyp_6-31g(d).log.xz 000407726.td-b3lyp_6-31g+(d).inp 000407726.td-b3lyp_6-31g+(d).log.xz

000407726.td-b3lyp_6-31+g(d).qchem.inp (generated)

000407726.td-b3lyp_6-31+g(d).gjf (generated)

000407726.td-b3lyp_6-31+g(d).firefly.inp (generated)

000407726.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000407726.mol 000407726.PUBCHEM 000407726.mol (via Jmol)
000407728.b3lyp_6-31g(d).inp

000407728.b3lyp_6-31g(d).qchem.inp (generated)

000407728.b3lyp_6-31g(d).gjf (generated)

000407728.b3lyp_6-31g(d).firefly.inp (generated)

000407728.b3lyp_6-31g(d).smash.inp (generated)

000407728.b3lyp_6-31g(d).nwchem.inp (generated) 000407728.b3lyp_6-31g(d).log.xz 000407728.td-b3lyp_6-31g+(d).inp 000407728.td-b3lyp_6-31g+(d).log.xz

000407728.td-b3lyp_6-31+g(d).qchem.inp (generated)

000407728.td-b3lyp_6-31+g(d).gjf (generated)

000407728.td-b3lyp_6-31+g(d).firefly.inp (generated)

000407728.td-b3lyp_6-31+g(d).nwchem.inp (generated) 000407728.mol 000407728.PUBCHEM 000407728.mol (via Jmol)
000407729.b3lyp_6-31g(d).inp

000407729.b3lyp_6-31g(d).qchem.inp (generated)

000407729.b3lyp_6-31g(d).gjf (generated)

000407729.b3lyp_6-31g(d).firefly.inp (generated)

000407729.b3lyp_6-31g(d).smash.inp (generated)

000407729.b3lyp_6-31g(d).nwchem.inp (generated) 000407729.b3lyp_6-31g(d).log.xz 000407729.td-b3lyp_6-31g+(d).inp 000407729.td-b3lyp_6-31g+(d).log.xz

000407729.td-b3lyp_6-31+g(d).qchem.inp (generated)

000407729.td-b3lyp_6-31+g(d).gj