Index of

Last updated : Thu May 25 01:35:26 JST 2017
Total : 65 (44) in this page
033100012.b3lyp_6-31g(d).inp

033100012.b3lyp_6-31g(d).qchem.inp (generated)

033100012.b3lyp_6-31g(d).gjf (generated)

033100012.b3lyp_6-31g(d).firefly.inp (generated)

033100012.b3lyp_6-31g(d).smash.inp (generated)

033100012.b3lyp_6-31g(d).nwchem.inp (generated) 033100012.b3lyp_6-31g(d).log.xz 033100012.td-b3lyp_6-31g+(d).inp 033100012.td-b3lyp_6-31g+(d).log.xz

033100012.td-b3lyp_6-31+g(d).qchem.inp (generated)

033100012.td-b3lyp_6-31+g(d).gjf (generated)

033100012.td-b3lyp_6-31+g(d).firefly.inp (generated)

033100012.td-b3lyp_6-31+g(d).nwchem.inp (generated) 033100012.mol 033100012.PUBCHEM 033100012.mol (via Jmol)
033100078.b3lyp_6-31g(d).inp

033100078.b3lyp_6-31g(d).qchem.inp (generated)

033100078.b3lyp_6-31g(d).gjf (generated)

033100078.b3lyp_6-31g(d).firefly.inp (generated)

033100078.b3lyp_6-31g(d).smash.inp (generated)

033100078.b3lyp_6-31g(d).nwchem.inp (generated) 033100078.b3lyp_6-31g(d).log.xz 033100078.td-b3lyp_6-31g+(d).inp 033100078.td-b3lyp_6-31g+(d).log.xz

033100078.td-b3lyp_6-31+g(d).qchem.inp (generated)

033100078.td-b3lyp_6-31+g(d).gjf (generated)

033100078.td-b3lyp_6-31+g(d).firefly.inp (generated)

033100078.td-b3lyp_6-31+g(d).nwchem.inp (generated) 033100078.mol 033100078.PUBCHEM 033100078.mol (via Jmol)
033100101.b3lyp_6-31g(d).inp

033100101.b3lyp_6-31g(d).qchem.inp (generated)

033100101.b3lyp_6-31g(d).gjf (generated)

033100101.b3lyp_6-31g(d).firefly.inp (generated)

033100101.b3lyp_6-31g(d).smash.inp (generated)

033100101.b3lyp_6-31g(d).nwchem.inp (generated) 033100101.b3lyp_6-31g(d).log.xz 033100101.td-b3lyp_6-31g+(d).inp 033100101.td-b3lyp_6-31g+(d).log.xz

033100101.td-b3lyp_6-31+g(d).qchem.inp (generated)

033100101.td-b3lyp_6-31+g(d).gjf (generated)

033100101.td-b3lyp_6-31+g(d).firefly.inp (generated)

033100101.td-b3lyp_6-31+g(d).nwchem.inp (generated) 033100101.mol 033100101.PUBCHEM 033100101.mol (via Jmol)
033100111.b3lyp_6-31g(d).inp

033100111.b3lyp_6-31g(d).qchem.inp (generated)

033100111.b3lyp_6-31g(d).gjf (generated)

033100111.b3lyp_6-31g(d).firefly.inp (generated)

033100111.b3lyp_6-31g(d).smash.inp (generated)

033100111.b3lyp_6-31g(d).nwchem.inp (generated) 033100111.b3lyp_6-31g(d).log.xz 033100111.td-b3lyp_6-31g+(d).inp 033100111.td-b3lyp_6-31g+(d).log.xz

033100111.td-b3lyp_6-31+g(d).qchem.inp (generated)

033100111.td-b3lyp_6-31+g(d).gjf (generated)

033100111.td-b3lyp_6-31+g(d).firefly.inp (generated)

033100111.td-b3lyp_6-31+g(d).nwchem.inp (generated) 033100111.mol 033100111.PUBCHEM 033100111.mol (via Jmol)
033100148.b3lyp_6-31g(d).inp

033100148.b3lyp_6-31g(d).qchem.inp (generated)

033100148.b3lyp_6-31g(d).gjf (generated)

033100148.b3lyp_6-31g(d).firefly.inp (generated)

033100148.b3lyp_6-31g(d).smash.inp (generated)

033100148.b3lyp_6-31g(d).nwchem.inp (generated) 033100148.b3lyp_6-31g(d).log.xz 033100148.mol 033100148.PUBCHEM 033100148.mol (via Jmol)
033100152.b3lyp_6-31g(d).inp

033100152.b3lyp_6-31g(d).qchem.inp (generated)

033100152.b3lyp_6-31g(d).gjf (generated)

033100152.b3lyp_6-31g(d).firefly.inp (generated)

033100152.b3lyp_6-31g(d).smash.inp (generated)

033100152.b3lyp_6-31g(d).nwchem.inp (generated) 033100152.b3lyp_6-31g(d).log.xz 033100152.td-b3lyp_6-31g+(d).inp 033100152.td-b3lyp_6-31g+(d).log.xz

033100152.td-b3lyp_6-31+g(d).qchem.inp (generated)

033100152.td-b3lyp_6-31+g(d).gjf (generated)

033100152.td-b3lyp_6-31+g(d).firefly.inp (generated)

033100152.td-b3lyp_6-31+g(d).nwchem.inp (generated) 033100152.mol 033100152.PUBCHEM 033100152.mol (via Jmol)
033100210.b3lyp_6-31g(d).inp

033100210.b3lyp_6-31g(d).qchem.inp (generated)

033100210.b3lyp_6-31g(d).gjf (generated)

033100210.b3lyp_6-31g(d).firefly.inp (generated)

033100210.b3lyp_6-31g(d).smash.inp (generated)

033100210.b3lyp_6-31g(d).nwchem.inp (generated) 033100210.b3lyp_6-31g(d).log.xz 033100210.td-b3lyp_6-31g+(d).inp 033100210.td-b3lyp_6-31g+(d).log.xz

033100210.td-b3lyp_6-31+g(d).qchem.inp (generated)

033100210.td-b3lyp_6-31+g(d).gjf (generated)

033100210.td-b3lyp_6-31+g(d).firefly.inp (generated)

033100210.td-b3lyp_6-31+g(d).nwchem.inp (generated) 033100210.mol 033100210.PUBCHEM 033100210.mol (via Jmol)
033100244.b3lyp_6-31g(d).inp

033100244.b3lyp_6-31g(d).qchem.inp (generated)

033100244.b3lyp_6-31g(d).gjf (generated)

033100244.b3lyp_6-31g(d).firefly.inp (generated)

033100244.b3lyp_6-31g(d).smash.inp (generated)

033100244.b3lyp_6-31g(d).nwchem.inp (generated) 033100244.b3lyp_6-31g(d).log.xz 033100244.td-b3lyp_6-31g+(d).inp 033100244.td-b3lyp_6-31g+(d).log.xz

033100244.td-b3lyp_6-31+g(d).qchem.inp (generated)

033100244.td-b3lyp_6-31+g(d).gjf (generated)

033100244.td-b3lyp_6-31+g(d).firefly.inp (generated)

033100244.td-b3lyp_6-31+g(d).nwchem.inp (generated) 033100244.mol 033100244.PUBCHEM 033100244.mol (via Jmol)
033100322.b3lyp_6-31g(d).inp

033100322.b3lyp_6-31g(d).qchem.inp (generated)

033100322.b3lyp_6-31g(d).gjf (generated)

033100322.b3lyp_6-31g(d).firefly.inp (generated)

033100322.b3lyp_6-31g(d).smash.inp (generated)

033100322.b3lyp_6-31g(d).nwchem.inp (generated) 033100322.b3lyp_6-31g(d).log.xz 033100322.mol 033100322.PUBCHEM 033100322.mol (via Jmol)
033100327.b3lyp_6-31g(d).inp

033100327.b3lyp_6-31g(d).qchem.inp (generated)

033100327.b3lyp_6-31g(d).gjf (generated)

033100327.b3lyp_6-31g(d).firefly.inp (generated)

033100327.b3lyp_6-31g(d).smash.inp (generated)

033100327.b3lyp_6-31g(d).nwchem.inp (generated) 033100327.b3lyp_6-31g(d).log.xz 033100327.td-b3lyp_6-31g+(d).inp 033100327.td-b3lyp_6-31g+(d).log.xz

033100327.td-b3lyp_6-31+g(d).qchem.inp (generated)

033100327.td-b3lyp_6-31+g(d).gjf (generated)

033100327.td-b3lyp_6-31+g(d).firefly.inp (generated)

033100327.td-b3lyp_6-31+g(d).nwchem.inp (generated) 033100327.mol 033100327.PUBCHEM 033100327.mol (via Jmol)
033100338.b3lyp_6-31g(d).inp

033100338.b3lyp_6-31g(d).qchem.inp (generated)

033100338.b3lyp_6-31g(d).gjf (generated)

033100338.b3lyp_6-31g(d).firefly.inp (generated)

033100338.b3lyp_6-31g(d).smash.inp (generated)

033100338.b3lyp_6-31g(d).nwchem.inp (generated) 033100338.b3lyp_6-31g(d).log.xz 033100338.td-b3lyp_6-31g+(d).inp 033100338.td-b3lyp_6-31g+(d).log.xz

033100338.td-b3lyp_6-31+g(d).qchem.inp (generated)

033100338.td-b3lyp_6-31+g(d).gjf (generated)

033100338.td-b3lyp_6-31+g(d).firefly.inp (generated)

033100338.td-b3lyp_6-31+g(d).nwchem.inp (generated) 033100338.mol 033100338.PUBCHEM 033100338.mol (via Jmol)
033100384.b3lyp_6-31g(d).inp

033100384.b3lyp_6-31g(d).qchem.inp (generated)

033100384.b3lyp_6-31g(d).gjf (generated)

033100384.b3lyp_6-31g(d).firefly.inp (generated)

033100384.b3lyp_6-31g(d).smash.inp (generated)

033100384.b3lyp_6-31g(d).nwchem.inp (generated) 033100384.b3lyp_6-31g(d).log.xz 033100384.td-b3lyp_6-31g+(d).inp 033100384.td-b3lyp_6-31g+(d).log.xz

033100384.td-b3lyp_6-31+g(d).qchem.inp (generated)

033100384.td-b3lyp_6-31+g(d).gjf (generated)

033100384.td-b3lyp_6-31+g(d).firefly.inp (generated)

033100384.td-b3lyp_6-31+g(d).nwchem.inp (generated) 033100384.mol 033100384.PUBCHEM 033100384.mol (via Jmol)
033100444.b3lyp_6-31g(d).inp

033100444.b3lyp_6-31g(d).qchem.inp (generated)

033100444.b3lyp_6-31g(d).gjf (generated)

033100444.b3lyp_6-31g(d).firefly.inp (generated)

033100444.b3lyp_6-31g(d).smash.inp (generated)

033100444.b3lyp_6-31g(d).nwchem.inp (generated) 033100444.b3lyp_6-31g(d).log.xz 033100444.td-b3lyp_6-31g+(d).inp 033100444.td-b3lyp_6-31g+(d).log.xz

033100444.td-b3lyp_6-31+g(d).qchem.inp (generated)

033100444.td-b3lyp_6-31+g(d).gjf (generated)

033100444.td-b3lyp_6-31+g(d).firefly.inp (generated)

033100444.td-b3lyp_6-31+g(d).nwchem.inp (generated) 033100444.mol 033100444.PUBCHEM 033100444.mol (via Jmol)
033100534.b3lyp_6-31g(d).inp

033100534.b3lyp_6-31g(d).qchem.inp (generated)

033100534.b3lyp_6-31g(d).gjf (generated)

033100534.b3lyp_6-31g(d).firefly.inp (generated)

033100534.b3lyp_6-31g(d).smash.inp (generated)

033100534.b3lyp_6-31g(d).nwchem.inp (generated) 033100534.b3lyp_6-31g(d).log.xz 033100534.td-b3lyp_6-31g+(d).inp 033100534.td-b3lyp_6-31g+(d).log.xz

033100534.td-b3lyp_6-31+g(d).qchem.inp (generated)

033100534.td-b3lyp_6-31+g(d).gjf (generated)

033100534.td-b3lyp_6-31+g(d).firefly.inp (generated)

033100534.td-b3lyp_6-31+g(d).nwchem.inp (generated) 033100534.mol 033100534.PUBCHEM 033100534.mol (via Jmol)
033100559.b3lyp_6-31g(d).inp

033100559.b3lyp_6-31g(d).qchem.inp (generated)

033100559.b3lyp_6-31g(d).gjf (generated)

033100559.b3lyp_6-31g(d).firefly.inp (generated)

033100559.b3lyp_6-31g(d).smash.inp (generated)

033100559.b3lyp_6-31g(d).nwchem.inp (generated) 033100559.b3lyp_6-31g(d).log.xz 033100559.td-b3lyp_6-31g+(d).inp 033100559.td-b3lyp_6-31g+(d).log.xz

033100559.td-b3lyp_6-31+g(d).qchem.inp (generated)

033100559.td-b3lyp_6-31+g(d).gjf (generated)

033100559.td-b3lyp_6-31+g(d).firefly.inp (generated)

033100559.td-b3lyp_6-31+g(d).nwchem.inp (generated) 033100559.mol 033100559.PUBCHEM 033100559.mol (via Jmol)
033100584.b3lyp_6-31g(d).inp

033100584.b3lyp_6-31g(d).qchem.inp (generated)

033100584.b3lyp_6-31g(d).gjf (generated)

033100584.b3lyp_6-31g(d).firefly.inp (generated)

033100584.b3lyp_6-31g(d).smash.inp (generated)

033100584.b3lyp_6-31g(d).nwchem.inp (generated) 033100584.b3lyp_6-31g(d).log.xz 033100584.td-b3lyp_6-31g+(d).inp 033100584.td-b3lyp_6-31g+(d).log.xz

033100584.td-b3lyp_6-31+g(d).qchem.inp (generated)

033100584.td-b3lyp_6-31+g(d).gjf (generated)

033100584.td-b3lyp_6-31+g(d).firefly.inp (generated)

033100584.td-b3lyp_6-31+g(d).nwchem.inp (generated) 033100584.mol 033100584.PUBCHEM 033100584.mol (via Jmol)
033100696.b3lyp_6-31g(d).inp

033100696.b3lyp_6-31g(d).qchem.inp (generated)

033100696.b3lyp_6-31g(d).gjf (generated)

033100696.b3lyp_6-31g(d).firefly.inp (generated)

033100696.b3lyp_6-31g(d).smash.inp (generated)

033100696.b3lyp_6-31g(d).nwchem.inp (generated) 033100696.b3lyp_6-31g(d).log.xz 033100696.td-b3lyp_6-31g+(d).inp 033100696.td-b3lyp_6-31g+(d).log.xz

033100696.td-b3lyp_6-31+g(d).qchem.inp (generated)

033100696.td-b3lyp_6-31+g(d).gjf (generated)

033100696.td-b3lyp_6-31+g(d).firefly.inp (generated)

033100696.td-b3lyp_6-31+g(d).nwchem.inp (generated) 033100696.mol 033100696.PUBCHEM 033100696.mol (via Jmol)
033100739.b3lyp_6-31g(d).inp

033100739.b3lyp_6-31g(d).qchem.inp (generated)

033100739.b3lyp_6-31g(d).gjf (generated)

033100739.b3lyp_6-31g(d).firefly.inp (generated)

033100739.b3lyp_6-31g(d).smash.inp (generated)

033100739.b3lyp_6-31g(d).nwchem.inp (generated) 033100739.b3lyp_6-31g(d).log.xz 033100739.mol 033100739.PUBCHEM 033100739.mol (via Jmol)
033100868.b3lyp_6-31g(d).inp

033100868.b3lyp_6-31g(d).qchem.inp (generated)

033100868.b3lyp_6-31g(d).gjf (generated)

033100868.b3lyp_6-31g(d).firefly.inp (generated)

033100868.b3lyp_6-31g(d).smash.inp (generated)

033100868.b3lyp_6-31g(d).nwchem.inp (generated) 033100868.b3lyp_6-31g(d).log.xz 033100868.mol 033100868.PUBCHEM 033100868.mol (via Jmol)
033100874.b3lyp_6-31g(d).inp

033100874.b3lyp_6-31g(d).qchem.inp (generated)

033100874.b3lyp_6-31g(d).gjf (generated)

033100874.b3lyp_6-31g(d).firefly.inp (generated)

033100874.b3lyp_6-31g(d).smash.inp (generated)

033100874.b3lyp_6-31g(d).nwchem.inp (generated) 033100874.b3lyp_6-31g(d).log.xz 033100874.td-b3lyp_6-31g+(d).inp 033100874.td-b3lyp_6-31g+(d).log.xz

033100874.td-b3lyp_6-31+g(d).qchem.inp (generated)

033100874.td-b3lyp_6-31+g(d).gjf (generated)

033100874.td-b3lyp_6-31+g(d).firefly.inp (generated)

033100874.td-b3lyp_6-31+g(d).nwchem.inp (generated) 033100874.mol 033100874.PUBCHEM 033100874.mol (via Jmol)
033101023.b3lyp_6-31g(d).inp

033101023.b3lyp_6-31g(d).qchem.inp (generated)

033101023.b3lyp_6-31g(d).gjf (generated)

033101023.b3lyp_6-31g(d).firefly.inp (generated)

033101023.b3lyp_6-31g(d).smash.inp (generated)

033101023.b3lyp_6-31g(d).nwchem.inp (generated) 033101023.b3lyp_6-31g(d).log.xz 033101023.mol 033101023.PUBCHEM 033101023.mol (via Jmol)
033101125.b3lyp_6-31g(d).inp

033101125.b3lyp_6-31g(d).qchem.inp (generated)

033101125.b3lyp_6-31g(d).gjf (generated)

033101125.b3lyp_6-31g(d).firefly.inp (generated)

033101125.b3lyp_6-31g(d).smash.inp (generated)

033101125.b3lyp_6-31g(d).nwchem.inp (generated) 033101125.b3lyp_6-31g(d).log.xz 033101125.mol 033101125.PUBCHEM 033101125.mol (via Jmol)
033101201.b3lyp_6-31g(d).inp

033101201.b3lyp_6-31g(d).qchem.inp (generated)

033101201.b3lyp_6-31g(d).gjf (generated)

033101201.b3lyp_6-31g(d).firefly.inp (generated)

033101201.b3lyp_6-31g(d).smash.inp (generated)

033101201.b3lyp_6-31g(d).nwchem.inp (generated) 033101201.b3lyp_6-31g(d).log.xz 033101201.td-b3lyp_6-31g+(d).inp 033101201.td-b3lyp_6-31g+(d).log.xz

033101201.td-b3lyp_6-31+g(d).qchem.inp (generated)

033101201.td-b3lyp_6-31+g(d).gjf (generated)

033101201.td-b3lyp_6-31+g(d).firefly.inp (generated)

033101201.td-b3lyp_6-31+g(d).nwchem.inp (generated) 033101201.mol 033101201.PUBCHEM 033101201.mol (via Jmol)
033101280.b3lyp_6-31g(d).inp

033101280.b3lyp_6-31g(d).qchem.inp (generated)

033101280.b3lyp_6-31g(d).gjf (generated)

033101280.b3lyp_6-31g(d).firefly.inp (generated)

033101280.b3lyp_6-31g(d).smash.inp (generated)

033101280.b3lyp_6-31g(d).nwchem.inp (generated) 033101280.b3lyp_6-31g(d).log.xz 033101280.mol 033101280.PUBCHEM 033101280.mol (via Jmol)
033101305.b3lyp_6-31g(d).inp

033101305.b3lyp_6-31g(d).qchem.inp (generated)

033101305.b3lyp_6-31g(d).gjf (generated)

033101305.b3lyp_6-31g(d).firefly.inp (generated)

033101305.b3lyp_6-31g(d).smash.inp (generated)

033101305.b3lyp_6-31g(d).nwchem.inp (generated) 033101305.b3lyp_6-31g(d).log.xz 033101305.td-b3lyp_6-31g+(d).inp 033101305.td-b3lyp_6-31g+(d).log.xz

033101305.td-b3lyp_6-31+g(d).qchem.inp (generated)

033101305.td-b3lyp_6-31+g(d).gjf (generated)

033101305.td-b3lyp_6-31+g(d).firefly.inp (generated)

033101305.td-b3lyp_6-31+g(d).nwchem.inp (generated) 033101305.mol 033101305.PUBCHEM 033101305.mol (via Jmol)
033101339.b3lyp_6-31g(d).inp

033101339.b3lyp_6-31g(d).qchem.inp (generated)

033101339.b3lyp_6-31g(d).gjf (generated)

033101339.b3lyp_6-31g(d).firefly.inp (generated)

033101339.b3lyp_6-31g(d).smash.inp (generated)

033101339.b3lyp_6-31g(d).nwchem.inp (generated) 033101339.b3lyp_6-31g(d).log.xz 033101339.td-b3lyp_6-31g+(d).inp 033101339.td-b3lyp_6-31g+(d).log.xz

033101339.td-b3lyp_6-31+g(d).qchem.inp (generated)

033101339.td-b3lyp_6-31+g(d).gjf (generated)

033101339.td-b3lyp_6-31+g(d).firefly.inp (generated)

033101339.td-b3lyp_6-31+g(d).nwchem.inp (generated) 033101339.mol 033101339.PUBCHEM 033101339.mol (via Jmol)
033101389.b3lyp_6-31g(d).inp

033101389.b3lyp_6-31g(d).qchem.inp (generated)

033101389.b3lyp_6-31g(d).gjf (generated)

033101389.b3lyp_6-31g(d).firefly.inp (generated)

033101389.b3lyp_6-31g(d).smash.inp (generated)

033101389.b3lyp_6-31g(d).nwchem.inp (generated) 033101389.b3lyp_6-31g(d).log.xz 033101389.mol 033101389.PUBCHEM 033101389.mol (via Jmol)
033101407.b3lyp_6-31g(d).inp

033101407.b3lyp_6-31g(d).qchem.inp (generated)

033101407.b3lyp_6-31g(d).gjf (generated)

033101407.b3lyp_6-31g(d).firefly.inp (generated)

033101407.b3lyp_6-31g(d).smash.inp (generated)

033101407.b3lyp_6-31g(d).nwchem.inp (generated) 033101407.b3lyp_6-31g(d).log.xz 033101407.td-b3lyp_6-31g+(d).inp 033101407.td-b3lyp_6-31g+(d).log.xz

033101407.td-b3lyp_6-31+g(d).qchem.inp (generated)

033101407.td-b3lyp_6-31+g(d).gjf (generated)

033101407.td-b3lyp_6-31+g(d).firefly.inp (generated)

033101407.td-b3lyp_6-31+g(d).nwchem.inp (generated) 033101407.mol 033101407.PUBCHEM 033101407.mol (via Jmol)
033101453.b3lyp_6-31g(d).inp

033101453.b3lyp_6-31g(d).qchem.inp (generated)

033101453.b3lyp_6-31g(d).gjf (generated)

033101453.b3lyp_6-31g(d).firefly.inp (generated)

033101453.b3lyp_6-31g(d).smash.inp (generated)

033101453.b3lyp_6-31g(d).nwchem.inp (generated) 033101453.b3lyp_6-31g(d).log.xz 033101453.td-b3lyp_6-31g+(d).inp 033101453.td-b3lyp_6-31g+(d).log.xz

033101453.td-b3lyp_6-31+g(d).qchem.inp (generated)

033101453.td-b3lyp_6-31+g(d).gjf (generated)

033101453.td-b3lyp_6-31+g(d).firefly.inp (generated)

033101453.td-b3lyp_6-31+g(d).nwchem.inp (generated) 033101453.mol 033101453.PUBCHEM 033101453.mol (via Jmol)
033101514.b3lyp_6-31g(d).inp

033101514.b3lyp_6-31g(d).qchem.inp (generated)

033101514.b3lyp_6-31g(d).gjf (generated)

033101514.b3lyp_6-31g(d).firefly.inp (generated)

033101514.b3lyp_6-31g(d).smash.inp (generated)

033101514.b3lyp_6-31g(d).nwchem.inp (generated) 033101514.b3lyp_6-31g(d).log.xz 033101514.td-b3lyp_6-31g+(d).inp 033101514.td-b3lyp_6-31g+(d).log.xz

033101514.td-b3lyp_6-31+g(d).qchem.inp (generated)

033101514.td-b3lyp_6-31+g(d).gjf (generated)

033101514.td-b3lyp_6-31+g(d).firefly.inp (generated)

033101514.td-b3lyp_6-31+g(d).nwchem.inp (generated) 033101514.mol 033101514.PUBCHEM 033101514.mol (via Jmol)
033101699.b3lyp_6-31g(d).inp

033101699.b3lyp_6-31g(d).qchem.inp (generated)

033101699.b3lyp_6-31g(d).gjf (generated)

033101699.b3lyp_6-31g(d).firefly.inp (generated)

033101699.b3lyp_6-31g(d).smash.inp (generated)

033101699.b3lyp_6-31g(d).nwchem.inp (generated) 033101699.b3lyp_6-31g(d).log.xz 033101699.td-b3lyp_6-31g+(d).inp 033101699.td-b3lyp_6-31g+(d).log.xz

033101699.td-b3lyp_6-31+g(d).qchem.inp (generated)

033101699.td-b3lyp_6-31+g(d).gjf (generated)

033101699.td-b3lyp_6-31+g(d).firefly.inp (generated)

033101699.td-b3lyp_6-31+g(d).nwchem.inp (generated) 033101699.mol 033101699.PUBCHEM 033101699.mol (via Jmol)
033102056.b3lyp_6-31g(d).inp

033102056.b3lyp_6-31g(d).qchem.inp (generated)

033102056.b3lyp_6-31g(d).gjf (generated)

033102056.b3lyp_6-31g(d).firefly.inp (generated)

033102056.b3lyp_6-31g(d).smash.inp (generated)

033102056.b3lyp_6-31g(d).nwchem.inp (generated) 033102056.b3lyp_6-31g(d).log.xz 033102056.td-b3lyp_6-31g+(d).inp 033102056.td-b3lyp_6-31g+(d).log.xz

033102056.td-b3lyp_6-31+g(d).qchem.inp (generated)

033102056.td-b3lyp_6-31+g(d).gjf (generated)

033102056.td-b3lyp_6-31+g(d).firefly.inp (generated)

033102056.td-b3lyp_6-31+g(d).nwchem.inp (generated) 033102056.mol 033102056.PUBCHEM 033102056.mol (via Jmol)
033102083.b3lyp_6-31g(d).inp

033102083.b3lyp_6-31g(d).qchem.inp (generated)

033102083.b3lyp_6-31g(d).gjf (generated)

033102083.b3lyp_6-31g(d).firefly.inp (generated)

033102083.b3lyp_6-31g(d).smash.inp (generated)

033102083.b3lyp_6-31g(d).nwchem.inp (generated) 033102083.b3lyp_6-31g(d).log.xz 033102083.td-b3lyp_6-31g+(d).inp 033102083.td-b3lyp_6-31g+(d).log.xz

033102083.td-b3lyp_6-31+g(d).qchem.inp (generated)

033102083.td-b3lyp_6-31+g(d).gjf (generated)

033102083.td-b3lyp_6-31+g(d).firefly.inp (generated)

033102083.td-b3lyp_6-31+g(d).nwchem.inp (generated) 033102083.mol 033102083.PUBCHEM 033102083.mol (via Jmol)
033102156.b3lyp_6-31g(d).inp

033102156.b3lyp_6-31g(d).qchem.inp (generated)

033102156.b3lyp_6-31g(d).gjf (generated)

033102156.b3lyp_6-31g(d).firefly.inp (generated)

033102156.b3lyp_6-31g(d).smash.inp (generated)

033102156.b3lyp_6-31g(d).nwchem.inp (generated) 033102156.b3lyp_6-31g(d).log.xz 033102156.td-b3lyp_6-31g+(d).inp 033102156.td-b3lyp_6-31g+(d).log.xz

033102156.td-b3lyp_6-31+g(d).qchem.inp (generated)

033102156.td-b3lyp_6-31+g(d).gjf (generated)

033102156.td-b3lyp_6-31+g(d).firefly.inp (generated)

033102156.td-b3lyp_6-31+g(d).nwchem.inp (generated) 033102156.mol 033102156.PUBCHEM 033102156.mol (via Jmol)
033102167.b3lyp_6-31g(d).inp

033102167.b3lyp_6-31g(d).qchem.inp (generated)

033102167.b3lyp_6-31g(d).gjf (generated)

033102167.b3lyp_6-31g(d).firefly.inp (generated)

033102167.b3lyp_6-31g(d).smash.inp (generated)

033102167.b3lyp_6-31g(d).nwchem.inp (generated) 033102167.b3lyp_6-31g(d).log.xz 033102167.td-b3lyp_6-31g+(d).inp 033102167.td-b3lyp_6-31g+(d).log.xz

033102167.td-b3lyp_6-31+g(d).qchem.inp (generated)

033102167.td-b3lyp_6-31+g(d).gjf (generated)

033102167.td-b3lyp_6-31+g(d).firefly.inp (generated)

033102167.td-b3lyp_6-31+g(d).nwchem.inp (generated) 033102167.mol 033102167.PUBCHEM 033102167.mol (via Jmol)
033102177.b3lyp_6-31g(d).inp

033102177.b3lyp_6-31g(d).qchem.inp (generated)

033102177.b3lyp_6-31g(d).gjf (generated)

033102177.b3lyp_6-31g(d).firefly.inp (generated)

033102177.b3lyp_6-31g(d).smash.inp (generated)

033102177.b3lyp_6-31g(d).nwchem.inp (generated) 033102177.b3lyp_6-31g(d).log.xz 033102177.mol 033102177.PUBCHEM 033102177.mol (via Jmol)
033102218.b3lyp_6-31g(d).inp

033102218.b3lyp_6-31g(d).qchem.inp (generated)

033102218.b3lyp_6-31g(d).gjf (generated)

033102218.b3lyp_6-31g(d).firefly.inp (generated)

033102218.b3lyp_6-31g(d).smash.inp (generated)

033102218.b3lyp_6-31g(d).nwchem.inp (generated) 033102218.b3lyp_6-31g(d).log.xz 033102218.mol 033102218.PUBCHEM 033102218.mol (via Jmol)
033102260.b3lyp_6-31g(d).inp

033102260.b3lyp_6-31g(d).qchem.inp (generated)

033102260.b3lyp_6-31g(d).gjf (generated)

033102260.b3lyp_6-31g(d).firefly.inp (generated)

033102260.b3lyp_6-31g(d).smash.inp (generated)

033102260.b3lyp_6-31g(d).nwchem.inp (generated) 033102260.b3lyp_6-31g(d).log.xz 033102260.td-b3lyp_6-31g+(d).inp 033102260.td-b3lyp_6-31g+(d).log.xz

033102260.td-b3lyp_6-31+g(d).qchem.inp (generated)

033102260.td-b3lyp_6-31+g(d).gjf (generated)

033102260.td-b3lyp_6-31+g(d).firefly.inp (generated)

033102260.td-b3lyp_6-31+g(d).nwchem.inp (generated) 033102260.mol 033102260.PUBCHEM 033102260.mol (via Jmol)
033102271.b3lyp_6-31g(d).inp

033102271.b3lyp_6-31g(d).qchem.inp (generated)

033102271.b3lyp_6-31g(d).gjf (generated)

033102271.b3lyp_6-31g(d).firefly.inp (generated)

033102271.b3lyp_6-31g(d).smash.inp (generated)

033102271.b3lyp_6-31g(d).nwchem.inp (generated) 033102271.b3lyp_6-31g(d).log.xz 033102271.mol 033102271.PUBCHEM 033102271.mol (via Jmol)
033102491.b3lyp_6-31g(d).inp

033102491.b3lyp_6-31g(d).qchem.inp (generated)

033102491.b3lyp_6-31g(d).gjf (generated)

033102491.b3lyp_6-31g(d).firefly.inp (generated)

033102491.b3lyp_6-31g(d).smash.inp (generated)

033102491.b3lyp_6-31g(d).nwchem.inp (generated) 033102491.b3lyp_6-31g(d).log.xz 033102491.td-b3lyp_6-31g+(d).inp 033102491.td-b3lyp_6-31g+(d).log.xz

033102491.td-b3lyp_6-31+g(d).qchem.inp (generated)

033102491.td-b3lyp_6-31+g(d).gjf (generated)

033102491.td-b3lyp_6-31+g(d).firefly.inp (generated)

033102491.td-b3lyp_6-31+g(d).nwchem.inp (generated) 033102491.mol 033102491.PUBCHEM 033102491.mol (via Jmol)
033102496.b3lyp_6-31g(d).inp

033102496.b3lyp_6-31g(d).qchem.inp (generated)

033102496.b3lyp_6-31g(d).gjf (generated)

033102496.b3lyp_6-31g(d).firefly.inp (generated)

033102496.b3lyp_6-31g(d).smash.inp (generated)

033102496.b3lyp_6-31g(d).nwchem.inp (generated) 033102496.b3lyp_6-31g(d).log.xz 033102496.td-b3lyp_6-31g+(d).inp 033102496.td-b3lyp_6-31g+(d).log.xz

033102496.td-b3lyp_6-31+g(d).qchem.inp (generated)

033102496.td-b3lyp_6-31+g(d).gjf (generated)

033102496.td-b3lyp_6-31+g(d).firefly.inp (generated)

033102496.td-b3lyp_6-31+g(d).nwchem.inp (generated) 033102496.mol 033102496.PUBCHEM 033102496.mol (via Jmol)
033102838.b3lyp_6-31g(d).inp

033102838.b3lyp_6-31g(d).qchem.inp (generated)

033102838.b3lyp_6-31g(d).gjf (generated)

033102838.b3lyp_6-31g(d).firefly.inp (generated)

033102838.b3lyp_6-31g(d).smash.inp (generated)

033102838.b3lyp_6-31g(d).nwchem.inp (generated) 033102838.b3lyp_6-31g(d).log.xz 033102838.td-b3lyp_6-31g+(d).inp 033102838.td-b3lyp_6-31g+(d).log.xz

033102838.td-b3lyp_6-31+g(d).qchem.inp (generated)

033102838.td-b3lyp_6-31+g(d).gjf (generated)

033102838.td-b3lyp_6-31+g(d).firefly.inp (generated)

033102838.td-b3lyp_6-31+g(d).nwchem.inp (generated) 033102838.mol 033102838.PUBCHEM 033102838.mol (via Jmol)
033103061.b3lyp_6-31g(d).inp

033103061.b3lyp_6-31g(d).qchem.inp (generated)

033103061.b3lyp_6-31g(d).gjf (generated)

033103061.b3lyp_6-31g(d).firefly.inp (generated)

033103061.b3lyp_6-31g(d).smash.inp (generated)

033103061.b3lyp_6-31g(d).nwchem.inp (generated) 033103061.b3lyp_6-31g(d).log.xz 033103061.td-b3lyp_6-31g+(d).inp 033103061.td-b3lyp_6-31g+(d).log.xz

033103061.td-b3lyp_6-31+g(d).qchem.inp (generated)

033103061.td-b3lyp_6-31+g(d).gjf (generated)

033103061.td-b3lyp_6-31+g(d).firefly.inp (generated)

033103061.td-b3lyp_6-31+g(d).nwchem.inp (generated) 033103061.mol 033103061.PUBCHEM 033103061.mol (via Jmol)
033103087.b3lyp_6-31g(d).inp

033103087.b3lyp_6-31g(d).qchem.inp (generated)

033103087.b3lyp_6-31g(d).gjf (generated)

033103087.b3lyp_6-31g(d).firefly.inp (generated)

033103087.b3lyp_6-31g(d).smash.inp (generated)

033103087.b3lyp_6-31g(d).nwchem.inp (generated) 033103087.b3lyp_6-31g(d).log.xz 033103087.td-b3lyp_6-31g+(d).inp 033103087.td-b3lyp_6-31g+(d).log.xz

033103087.td-b3lyp_6-31+g(d).qchem.inp (generated)

033103087.td-b3lyp_6-31+g(d).gjf (generated)

033103087.td-b3lyp_6-31+g(d).firefly.inp (generated)

033103087.td-b3lyp_6-31+g(d).nwchem.inp (generated) 033103087.mol 033103087.PUBCHEM 033103087.mol (via Jmol)
033103228.b3lyp_6-31g(d).inp

033103228.b3lyp_6-31g(d).qchem.inp (generated)

033103228.b3lyp_6-31g(d).gjf (generated)

033103228.b3lyp_6-31g(d).firefly.inp (generated)

033103228.b3lyp_6-31g(d).smash.inp (generated)

033103228.b3lyp_6-31g(d).nwchem.inp (generated) 033103228.b3lyp_6-31g(d).log.xz 033103228.td-b3lyp_6-31g+(d).inp 033103228.td-b3lyp_6-31g+(d).log.xz

033103228.td-b3lyp_6-31+g(d).qchem.inp (generated)

033103228.td-b3lyp_6-31+g(d).gjf (generated)

033103228.td-b3lyp_6-31+g(d).firefly.inp (generated)

033103228.td-b3lyp_6-31+g(d).nwchem.inp (generated) 033103228.mol 033103228.PUBCHEM 033103228.mol (via Jmol)
033103341.b3lyp_6-31g(d).inp

033103341.b3lyp_6-31g(d).qchem.inp (generated)

033103341.b3lyp_6-31g(d).gjf (generated)

033103341.b3lyp_6-31g(d).firefly.inp (generated)

033103341.b3lyp_6-31g(d).smash.inp (generated)

033103341.b3lyp_6-31g(d).nwchem.inp (generated) 033103341.b3lyp_6-31g(d).log.xz 033103341.td-b3lyp_6-31g+(d).inp 033103341.td-b3lyp_6-31g+(d).log.xz

033103341.td-b3lyp_6-31+g(d).qchem.inp (generated)

033103341.td-b3lyp_6-31+g(d).gjf (generated)

033103341.td-b3lyp_6-31+g(d).firefly.inp (generated)

033103341.td-b3lyp_6-31+g(d).nwchem.inp (generated) 033103341.mol 033103341.PUBCHEM 033103341.mol (via Jmol)
033103347.b3lyp_6-31g(d).inp

033103347.b3lyp_6-31g(d).qchem.inp (generated)

033103347.b3lyp_6-31g(d).gjf (generated)

033103347.b3lyp_6-31g(d).firefly.inp (generated)

033103347.b3lyp_6-31g(d).smash.inp (generated)

033103347.b3lyp_6-31g(d).nwchem.inp (generated) 033103347.b3lyp_6-31g(d).log.xz 033103347.mol 033103347.PUBCHEM 033103347.mol (via Jmol)
033103380.b3lyp_6-31g(d).inp

033103380.b3lyp_6-31g(d).qchem.inp (generated)

033103380.b3lyp_6-31g(d).gjf (generated)

033103380.b3lyp_6-31g(d).firefly.inp (generated)

033103380.b3lyp_6-31g(d).smash.inp (generated)

033103380.b3lyp_6-31g(d).nwchem.inp (generated) 033103380.b3lyp_6-31g(d).log.xz 033103380.td-b3lyp_6-31g+(d).inp 033103380.td-b3lyp_6-31g+(d).log.xz

033103380.td-b3lyp_6-31+g(d).qchem.inp (generated)

033103380.td-b3lyp_6-31+g(d).gjf (generated)

033103380.td-b3lyp_6-31+g(d).firefly.inp (generated)

033103380.td-b3lyp_6-31+g(d).nwchem.inp (generated) 033103380.mol 033103380.PUBCHEM 033103380.mol (via Jmol)
033103452.b3lyp_6-31g(d).inp

033103452.b3lyp_6-31g(d).qchem.inp (generated)

033103452.b3lyp_6-31g(d).gjf (generated)

033103452.b3lyp_6-31g(d).firefly.inp (generated)

033103452.b3lyp_6-31g(d).smash.inp (generated)

033103452.b3lyp_6-31g(d).nwchem.inp (generated) 033103452.b3lyp_6-31g(d).log.xz 033103452.mol 033103452.PUBCHEM 033103452.mol (via Jmol)
033103495.b3lyp_6-31g(d).inp

033103495.b3lyp_6-31g(d).qchem.inp (generated)

033103495.b3lyp_6-31g(d).gjf (generated)

033103495.b3lyp_6-31g(d).firefly.inp (generated)

033103495.b3lyp_6-31g(d).smash.inp (generated)

033103495.b3lyp_6-31g(d).nwchem.inp (generated) 033103495.b3lyp_6-31g(d).log.xz 033103495.mol 033103495.PUBCHEM 033103495.mol (via Jmol)
033103502.b3lyp_6-31g(d).inp

033103502.b3lyp_6-31g(d).qchem.inp (generated)

033103502.b3lyp_6-31g(d).gjf (generated)

033103502.b3lyp_6-31g(d).firefly.inp (generated)

033103502.b3lyp_6-31g(d).smash.inp (generated)

033103502.b3lyp_6-31g(d).nwchem.inp (generated) 033103502.b3lyp_6-31g(d).log.xz 033103502.td-b3lyp_6-31g+(d).inp 033103502.td-b3lyp_6-31g+(d).log.xz

033103502.td-b3lyp_6-31+g(d).qchem.inp (generated)

033103502.td-b3lyp_6-31+g(d).gjf (generated)

033103502.td-b3lyp_6-31+g(d).firefly.inp (generated)

033103502.td-b3lyp_6-31+g(d).nwchem.inp (generated) 033103502.mol 033103502.PUBCHEM 033103502.mol (via Jmol)
033103518.b3lyp_6-31g(d).inp

033103518.b3lyp_6-31g(d).qchem.inp (generated)

033103518.b3lyp_6-31g(d).gjf (generated)

033103518.b3lyp_6-31g(d).firefly.inp (generated)

033103518.b3lyp_6-31g(d).smash.inp (generated)

033103518.b3lyp_6-31g(d).nwchem.inp (generated) 033103518.b3lyp_6-31g(d).log.xz 033103518.td-b3lyp_6-31g+(d).inp 033103518.td-b3lyp_6-31g+(d).log.xz

033103518.td-b3lyp_6-31+g(d).qchem.inp (generated)

033103518.td-b3lyp_6-31+g(d).gjf (generated)

033103518.td-b3lyp_6-31+g(d).firefly.inp (generated)

033103518.td-b3lyp_6-31+g(d).nwchem.inp (generated) 033103518.mol 033103518.PUBCHEM 033103518.mol (via Jmol)
033103560.b3lyp_6-31g(d).inp

033103560.b3lyp_6-31g(d).qchem.inp (generated)

033103560.b3lyp_6-31g(d).gjf (generated)

033103560.b3lyp_6-31g(d).firefly.inp (generated)

033103560.b3lyp_6-31g(d).smash.inp (generated)

033103560.b3lyp_6-31g(d).nwchem.inp (generated) 033103560.b3lyp_6-31g(d).log.xz 033103560.td-b3lyp_6-31g+(d).inp 033103560.td-b3lyp_6-31g+(d).log.xz

033103560.td-b3lyp_6-31+g(d).qchem.inp (generated)

033103560.td-b3lyp_6-31+g(d).gjf (generated)

033103560.td-b3lyp_6-31+g(d).firefly.inp (generated)

033103560.td-b3lyp_6-31+g(d).nwchem.inp (generated) 033103560.mol 033103560.PUBCHEM 033103560.mol (via Jmol)
033103825.b3lyp_6-31g(d).inp

033103825.b3lyp_6-31g(d).qchem.inp (generated)

033103825.b3lyp_6-31g(d).gjf (generated)

033103825.b3lyp_6-31g(d).firefly.inp (generated)

033103825.b3lyp_6-31g(d).smash.inp (generated)

033103825.b3lyp_6-31g(d).nwchem.inp (generated) 033103825.b3lyp_6-31g(d).log.xz 033103825.td-b3lyp_6-31g+(d).inp 033103825.td-b3lyp_6-31g+(d).log.xz

033103825.td-b3lyp_6-31+g(d).qchem.inp (generated)

033103825.td-b3lyp_6-31+g(d).gjf (generated)

033103825.td-b3lyp_6-31+g(d).firefly.inp (generated)

033103825.td-b3lyp_6-31+g(d).nwchem.inp (generated) 033103825.mol 033103825.PUBCHEM 033103825.mol (via Jmol)
033103903.b3lyp_6-31g(d).inp

033103903.b3lyp_6-31g(d).qchem.inp (generated)

033103903.b3lyp_6-31g(d).gjf (generated)

033103903.b3lyp_6-31g(d).firefly.inp (generated)

033103903.b3lyp_6-31g(d).smash.inp (generated)

033103903.b3lyp_6-31g(d).nwchem.inp (generated) 033103903.b3lyp_6-31g(d).log.xz 033103903.mol 033103903.PUBCHEM 033103903.mol (via Jmol)
033104443.b3lyp_6-31g(d).inp

033104443.b3lyp_6-31g(d).qchem.inp (generated)

033104443.b3lyp_6-31g(d).gjf (generated)

033104443.b3lyp_6-31g(d).firefly.inp (generated)

033104443.b3lyp_6-31g(d).smash.inp (generated)

033104443.b3lyp_6-31g(d).nwchem.inp (generated) 033104443.b3lyp_6-31g(d).log.xz 033104443.mol 033104443.PUBCHEM 033104443.mol (via Jmol)
033104491.b3lyp_6-31g(d).inp

033104491.b3lyp_6-31g(d).qchem.inp (generated)

033104491.b3lyp_6-31g(d).gjf (generated)

033104491.b3lyp_6-31g(d).firefly.inp (generated)

033104491.b3lyp_6-31g(d).smash.inp (generated)

033104491.b3lyp_6-31g(d).nwchem.inp (generated) 033104491.b3lyp_6-31g(d).log.xz 033104491.mol 033104491.PUBCHEM 033104491.mol (via Jmol)
033104704.b3lyp_6-31g(d).inp

033104704.b3lyp_6-31g(d).qchem.inp (generated)

033104704.b3lyp_6-31g(d).gjf (generated)

033104704.b3lyp_6-31g(d).firefly.inp (generated)

033104704.b3lyp_6-31g(d).smash.inp (generated)

033104704.b3lyp_6-31g(d).nwchem.inp (generated) 033104704.b3lyp_6-31g(d).log.xz 033104704.td-b3lyp_6-31g+(d).inp 033104704.td-b3lyp_6-31g+(d).log.xz

033104704.td-b3lyp_6-31+g(d).qchem.inp (generated)

033104704.td-b3lyp_6-31+g(d).gjf (generated)

033104704.td-b3lyp_6-31+g(d).firefly.inp (generated)

033104704.td-b3lyp_6-31+g(d).nwchem.inp (generated) 033104704.mol 033104704.PUBCHEM 033104704.mol (via Jmol)
033104787.b3lyp_6-31g(d).inp

033104787.b3lyp_6-31g(d).qchem.inp (generated)

033104787.b3lyp_6-31g(d).gjf (generated)

033104787.b3lyp_6-31g(d).firefly.inp (generated)

033104787.b3lyp_6-31g(d).smash.inp (generated)

033104787.b3lyp_6-31g(d).nwchem.inp (generated) 033104787.b3lyp_6-31g(d).log.xz 033104787.td-b3lyp_6-31g+(d).inp 033104787.td-b3lyp_6-31g+(d).log.xz

033104787.td-b3lyp_6-31+g(d).qchem.inp (generated)

033104787.td-b3lyp_6-31+g(d).gjf (generated)

033104787.td-b3lyp_6-31+g(d).firefly.inp (generated)

033104787.td-b3lyp_6-31+g(d).nwchem.inp (generated) 033104787.mol 033104787.PUBCHEM 033104787.mol (via Jmol)
033104830.b3lyp_6-31g(d).inp

033104830.b3lyp_6-31g(d).qchem.inp (generated)

033104830.b3lyp_6-31g(d).gjf (generated)

033104830.b3lyp_6-31g(d).firefly.inp (generated)

033104830.b3lyp_6-31g(d).smash.inp (generated)

033104830.b3lyp_6-31g(d).nwchem.inp (generated) 033104830.b3lyp_6-31g(d).log.xz 033104830.mol 033104830.PUBCHEM 033104830.mol (via Jmol)
033104846.b3lyp_6-31g(d).inp

033104846.b3lyp_6-31g(d).qchem.inp (generated)

033104846.b3lyp_6-31g(d).gjf (generated)

033104846.b3lyp_6-31g(d).firefly.inp (generated)

033104846.b3lyp_6-31g(d).smash.inp (generated)

033104846.b3lyp_6-31g(d).nwchem.inp (generated) 033104846.b3lyp_6-31g(d).log.xz 033104846.mol 033104846.PUBCHEM 033104846.mol (via Jmol)
033104864.b3lyp_6-31g(d).inp

033104864.b3lyp_6-31g(d).qchem.inp (generated)

033104864.b3lyp_6-31g(d).gjf (generated)

033104864.b3lyp_6-31g(d).firefly.inp (generated)

033104864.b3lyp_6-31g(d).smash.inp (generated)

033104864.b3lyp_6-31g(d).nwchem.inp (generated) 033104864.b3lyp_6-31g(d).log.xz 033104864.td-b3lyp_6-31g+(d).inp 033104864.td-b3lyp_6-31g+(d).log.xz

033104864.td-b3lyp_6-31+g(d).qchem.inp (generated)

033104864.td-b3lyp_6-31+g(d).gjf (generated)

033104864.td-b3lyp_6-31+g(d).firefly.inp (generated)

033104864.td-b3lyp_6-31+g(d).nwchem.inp (generated) 033104864.mol 033104864.PUBCHEM 033104864.mol (via Jmol)
033104905.b3lyp_6-31g(d).inp

033104905.b3lyp_6-31g(d).qchem.inp (generated)

033104905.b3lyp_6-31g(d).gjf (generated)

033104905.b3lyp_6-31g(d).firefly.inp (generated)

033104905.b3lyp_6-31g(d).smash.inp (generated)

033104905.b3lyp_6-31g(d).nwchem.inp (generated) 033104905.b3lyp_6-31g(d).log.xz 033104905.td-b3lyp_6-31g+(d).inp 033104905.td-b3lyp_6-31g+(d).log.xz

033104905.td-b3lyp_6-31+g(d).qchem.inp (generated)

033104905.td-b3lyp_6-31+g(d).gjf (generated)

033104905.td-b3lyp_6-31+g(d).firefly.inp (generated)

033104905.td-b3lyp_6-31+g(d).nwchem.inp (generated) 033104905.mol 033104905.PUBCHEM 033104905.mol (via Jmol)
033115908.b3lyp_6-31g(d).inp

033115908.b3lyp_6-31g(d).qchem.inp (generated)

033115908.b3lyp_6-31g(d).gjf (generated)

033115908.b3lyp_6-31g(d).firefly.inp (generated)

033115908.b3lyp_6-31g(d).smash.inp (generated)

033115908.b3lyp_6-31g(d).nwchem.inp (generated) 033115908.b3lyp_6-31g(d).log.xz 033115908.mol 033115908.PUBCHEM 033115908.mol (via Jmol)
033121798.b3lyp_6-31g(d).inp

033121798.b3lyp_6-31g(d).qchem.inp (generated)

033121798.b3lyp_6-31g(d).gjf (generated)

033121798.b3lyp_6-31g(d).firefly.inp (generated)

033121798.b3lyp_6-31g(d).smash.inp (generated)

033121798.b3lyp_6-31g(d).nwchem.inp (generated) 033121798.b3lyp_6-31g(d).log.xz 033121798.mol 033121798.PUBCHEM 033121798.mol (via Jmol)


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