Index of

Last updated : Thu Jun 22 02:29:55 JST 2017
Total : 121 (92) in this page
051200224.b3lyp_6-31g(d).inp

051200224.b3lyp_6-31g(d).qchem.inp (generated)

051200224.b3lyp_6-31g(d).gjf (generated)

051200224.b3lyp_6-31g(d).firefly.inp (generated)

051200224.b3lyp_6-31g(d).smash.inp (generated)

051200224.b3lyp_6-31g(d).nwchem.inp (generated) 051200224.b3lyp_6-31g(d).log.xz 051200224.td-b3lyp_6-31g+(d).inp 051200224.td-b3lyp_6-31g+(d).log.xz

051200224.td-b3lyp_6-31+g(d).qchem.inp (generated)

051200224.td-b3lyp_6-31+g(d).gjf (generated)

051200224.td-b3lyp_6-31+g(d).firefly.inp (generated)

051200224.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051200224.mol 051200224.PUBCHEM 051200224.mol (via Jmol)
051200280.b3lyp_6-31g(d).inp

051200280.b3lyp_6-31g(d).qchem.inp (generated)

051200280.b3lyp_6-31g(d).gjf (generated)

051200280.b3lyp_6-31g(d).firefly.inp (generated)

051200280.b3lyp_6-31g(d).smash.inp (generated)

051200280.b3lyp_6-31g(d).nwchem.inp (generated) 051200280.b3lyp_6-31g(d).log.xz 051200280.td-b3lyp_6-31g+(d).inp 051200280.td-b3lyp_6-31g+(d).log.xz

051200280.td-b3lyp_6-31+g(d).qchem.inp (generated)

051200280.td-b3lyp_6-31+g(d).gjf (generated)

051200280.td-b3lyp_6-31+g(d).firefly.inp (generated)

051200280.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051200280.mol 051200280.PUBCHEM 051200280.mol (via Jmol)
051202681.b3lyp_6-31g(d).inp

051202681.b3lyp_6-31g(d).qchem.inp (generated)

051202681.b3lyp_6-31g(d).gjf (generated)

051202681.b3lyp_6-31g(d).firefly.inp (generated)

051202681.b3lyp_6-31g(d).smash.inp (generated)

051202681.b3lyp_6-31g(d).nwchem.inp (generated) 051202681.b3lyp_6-31g(d).log.xz 051202681.td-b3lyp_6-31g+(d).inp 051202681.td-b3lyp_6-31g+(d).log.xz

051202681.td-b3lyp_6-31+g(d).qchem.inp (generated)

051202681.td-b3lyp_6-31+g(d).gjf (generated)

051202681.td-b3lyp_6-31+g(d).firefly.inp (generated)

051202681.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051202681.mol 051202681.PUBCHEM 051202681.mol (via Jmol)
051202683.b3lyp_6-31g(d).inp

051202683.b3lyp_6-31g(d).qchem.inp (generated)

051202683.b3lyp_6-31g(d).gjf (generated)

051202683.b3lyp_6-31g(d).firefly.inp (generated)

051202683.b3lyp_6-31g(d).smash.inp (generated)

051202683.b3lyp_6-31g(d).nwchem.inp (generated) 051202683.b3lyp_6-31g(d).log.xz 051202683.td-b3lyp_6-31g+(d).inp 051202683.td-b3lyp_6-31g+(d).log.xz

051202683.td-b3lyp_6-31+g(d).qchem.inp (generated)

051202683.td-b3lyp_6-31+g(d).gjf (generated)

051202683.td-b3lyp_6-31+g(d).firefly.inp (generated)

051202683.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051202683.mol 051202683.PUBCHEM 051202683.mol (via Jmol)
051202702.b3lyp_6-31g(d).inp

051202702.b3lyp_6-31g(d).qchem.inp (generated)

051202702.b3lyp_6-31g(d).gjf (generated)

051202702.b3lyp_6-31g(d).firefly.inp (generated)

051202702.b3lyp_6-31g(d).smash.inp (generated)

051202702.b3lyp_6-31g(d).nwchem.inp (generated) 051202702.b3lyp_6-31g(d).log.xz 051202702.td-b3lyp_6-31g+(d).inp 051202702.td-b3lyp_6-31g+(d).log.xz

051202702.td-b3lyp_6-31+g(d).qchem.inp (generated)

051202702.td-b3lyp_6-31+g(d).gjf (generated)

051202702.td-b3lyp_6-31+g(d).firefly.inp (generated)

051202702.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051202702.mol 051202702.PUBCHEM 051202702.mol (via Jmol)
051202740.b3lyp_6-31g(d).inp

051202740.b3lyp_6-31g(d).qchem.inp (generated)

051202740.b3lyp_6-31g(d).gjf (generated)

051202740.b3lyp_6-31g(d).firefly.inp (generated)

051202740.b3lyp_6-31g(d).smash.inp (generated)

051202740.b3lyp_6-31g(d).nwchem.inp (generated) 051202740.b3lyp_6-31g(d).log.xz 051202740.mol 051202740.PUBCHEM 051202740.mol (via Jmol)
051202760.b3lyp_6-31g(d).inp

051202760.b3lyp_6-31g(d).qchem.inp (generated)

051202760.b3lyp_6-31g(d).gjf (generated)

051202760.b3lyp_6-31g(d).firefly.inp (generated)

051202760.b3lyp_6-31g(d).smash.inp (generated)

051202760.b3lyp_6-31g(d).nwchem.inp (generated) 051202760.b3lyp_6-31g(d).log.xz 051202760.mol 051202760.PUBCHEM 051202760.mol (via Jmol)
051203496.b3lyp_6-31g(d).inp

051203496.b3lyp_6-31g(d).qchem.inp (generated)

051203496.b3lyp_6-31g(d).gjf (generated)

051203496.b3lyp_6-31g(d).firefly.inp (generated)

051203496.b3lyp_6-31g(d).smash.inp (generated)

051203496.b3lyp_6-31g(d).nwchem.inp (generated) 051203496.b3lyp_6-31g(d).log.xz 051203496.td-b3lyp_6-31g+(d).inp 051203496.td-b3lyp_6-31g+(d).log.xz

051203496.td-b3lyp_6-31+g(d).qchem.inp (generated)

051203496.td-b3lyp_6-31+g(d).gjf (generated)

051203496.td-b3lyp_6-31+g(d).firefly.inp (generated)

051203496.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051203496.mol 051203496.PUBCHEM 051203496.mol (via Jmol)
051203870.b3lyp_6-31g(d).inp

051203870.b3lyp_6-31g(d).qchem.inp (generated)

051203870.b3lyp_6-31g(d).gjf (generated)

051203870.b3lyp_6-31g(d).firefly.inp (generated)

051203870.b3lyp_6-31g(d).smash.inp (generated)

051203870.b3lyp_6-31g(d).nwchem.inp (generated) 051203870.b3lyp_6-31g(d).log.xz 051203870.td-b3lyp_6-31g+(d).inp 051203870.td-b3lyp_6-31g+(d).log.xz

051203870.td-b3lyp_6-31+g(d).qchem.inp (generated)

051203870.td-b3lyp_6-31+g(d).gjf (generated)

051203870.td-b3lyp_6-31+g(d).firefly.inp (generated)

051203870.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051203870.mol 051203870.PUBCHEM 051203870.mol (via Jmol)
051204237.b3lyp_6-31g(d).inp

051204237.b3lyp_6-31g(d).qchem.inp (generated)

051204237.b3lyp_6-31g(d).gjf (generated)

051204237.b3lyp_6-31g(d).firefly.inp (generated)

051204237.b3lyp_6-31g(d).smash.inp (generated)

051204237.b3lyp_6-31g(d).nwchem.inp (generated) 051204237.b3lyp_6-31g(d).log.xz 051204237.td-b3lyp_6-31g+(d).inp 051204237.td-b3lyp_6-31g+(d).log.xz

051204237.td-b3lyp_6-31+g(d).qchem.inp (generated)

051204237.td-b3lyp_6-31+g(d).gjf (generated)

051204237.td-b3lyp_6-31+g(d).firefly.inp (generated)

051204237.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051204237.mol 051204237.PUBCHEM 051204237.mol (via Jmol)
051204632.b3lyp_6-31g(d).inp

051204632.b3lyp_6-31g(d).qchem.inp (generated)

051204632.b3lyp_6-31g(d).gjf (generated)

051204632.b3lyp_6-31g(d).firefly.inp (generated)

051204632.b3lyp_6-31g(d).smash.inp (generated)

051204632.b3lyp_6-31g(d).nwchem.inp (generated) 051204632.b3lyp_6-31g(d).log.xz 051204632.mol 051204632.PUBCHEM 051204632.mol (via Jmol)
051204747.b3lyp_6-31g(d).inp

051204747.b3lyp_6-31g(d).qchem.inp (generated)

051204747.b3lyp_6-31g(d).gjf (generated)

051204747.b3lyp_6-31g(d).firefly.inp (generated)

051204747.b3lyp_6-31g(d).smash.inp (generated)

051204747.b3lyp_6-31g(d).nwchem.inp (generated) 051204747.b3lyp_6-31g(d).log.xz 051204747.td-b3lyp_6-31g+(d).inp 051204747.td-b3lyp_6-31g+(d).log.xz

051204747.td-b3lyp_6-31+g(d).qchem.inp (generated)

051204747.td-b3lyp_6-31+g(d).gjf (generated)

051204747.td-b3lyp_6-31+g(d).firefly.inp (generated)

051204747.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051204747.mol 051204747.PUBCHEM 051204747.mol (via Jmol)
051204771.b3lyp_6-31g(d).inp

051204771.b3lyp_6-31g(d).qchem.inp (generated)

051204771.b3lyp_6-31g(d).gjf (generated)

051204771.b3lyp_6-31g(d).firefly.inp (generated)

051204771.b3lyp_6-31g(d).smash.inp (generated)

051204771.b3lyp_6-31g(d).nwchem.inp (generated) 051204771.b3lyp_6-31g(d).log.xz 051204771.td-b3lyp_6-31g+(d).inp 051204771.td-b3lyp_6-31g+(d).log.xz

051204771.td-b3lyp_6-31+g(d).qchem.inp (generated)

051204771.td-b3lyp_6-31+g(d).gjf (generated)

051204771.td-b3lyp_6-31+g(d).firefly.inp (generated)

051204771.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051204771.mol 051204771.PUBCHEM 051204771.mol (via Jmol)
051204913.b3lyp_6-31g(d).inp

051204913.b3lyp_6-31g(d).qchem.inp (generated)

051204913.b3lyp_6-31g(d).gjf (generated)

051204913.b3lyp_6-31g(d).firefly.inp (generated)

051204913.b3lyp_6-31g(d).smash.inp (generated)

051204913.b3lyp_6-31g(d).nwchem.inp (generated) 051204913.b3lyp_6-31g(d).log.xz 051204913.mol 051204913.PUBCHEM 051204913.mol (via Jmol)
051205436.b3lyp_6-31g(d).inp

051205436.b3lyp_6-31g(d).qchem.inp (generated)

051205436.b3lyp_6-31g(d).gjf (generated)

051205436.b3lyp_6-31g(d).firefly.inp (generated)

051205436.b3lyp_6-31g(d).smash.inp (generated)

051205436.b3lyp_6-31g(d).nwchem.inp (generated) 051205436.b3lyp_6-31g(d).log.xz 051205436.mol 051205436.PUBCHEM 051205436.mol (via Jmol)
051205754.b3lyp_6-31g(d).inp

051205754.b3lyp_6-31g(d).qchem.inp (generated)

051205754.b3lyp_6-31g(d).gjf (generated)

051205754.b3lyp_6-31g(d).firefly.inp (generated)

051205754.b3lyp_6-31g(d).smash.inp (generated)

051205754.b3lyp_6-31g(d).nwchem.inp (generated) 051205754.b3lyp_6-31g(d).log.xz 051205754.td-b3lyp_6-31g+(d).inp 051205754.td-b3lyp_6-31g+(d).log.xz

051205754.td-b3lyp_6-31+g(d).qchem.inp (generated)

051205754.td-b3lyp_6-31+g(d).gjf (generated)

051205754.td-b3lyp_6-31+g(d).firefly.inp (generated)

051205754.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051205754.mol 051205754.PUBCHEM 051205754.mol (via Jmol)
051206319.b3lyp_6-31g(d).inp

051206319.b3lyp_6-31g(d).qchem.inp (generated)

051206319.b3lyp_6-31g(d).gjf (generated)

051206319.b3lyp_6-31g(d).firefly.inp (generated)

051206319.b3lyp_6-31g(d).smash.inp (generated)

051206319.b3lyp_6-31g(d).nwchem.inp (generated) 051206319.b3lyp_6-31g(d).log.xz 051206319.td-b3lyp_6-31g+(d).inp 051206319.td-b3lyp_6-31g+(d).log.xz

051206319.td-b3lyp_6-31+g(d).qchem.inp (generated)

051206319.td-b3lyp_6-31+g(d).gjf (generated)

051206319.td-b3lyp_6-31+g(d).firefly.inp (generated)

051206319.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051206319.mol 051206319.PUBCHEM 051206319.mol (via Jmol)
051208849.b3lyp_6-31g(d).inp

051208849.b3lyp_6-31g(d).qchem.inp (generated)

051208849.b3lyp_6-31g(d).gjf (generated)

051208849.b3lyp_6-31g(d).firefly.inp (generated)

051208849.b3lyp_6-31g(d).smash.inp (generated)

051208849.b3lyp_6-31g(d).nwchem.inp (generated) 051208849.b3lyp_6-31g(d).log.xz 051208849.td-b3lyp_6-31g+(d).inp 051208849.td-b3lyp_6-31g+(d).log.xz

051208849.td-b3lyp_6-31+g(d).qchem.inp (generated)

051208849.td-b3lyp_6-31+g(d).gjf (generated)

051208849.td-b3lyp_6-31+g(d).firefly.inp (generated)

051208849.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051208849.mol 051208849.PUBCHEM 051208849.mol (via Jmol)
051208864.b3lyp_6-31g(d).inp

051208864.b3lyp_6-31g(d).qchem.inp (generated)

051208864.b3lyp_6-31g(d).gjf (generated)

051208864.b3lyp_6-31g(d).firefly.inp (generated)

051208864.b3lyp_6-31g(d).smash.inp (generated)

051208864.b3lyp_6-31g(d).nwchem.inp (generated) 051208864.b3lyp_6-31g(d).log.xz 051208864.td-b3lyp_6-31g+(d).inp 051208864.td-b3lyp_6-31g+(d).log.xz

051208864.td-b3lyp_6-31+g(d).qchem.inp (generated)

051208864.td-b3lyp_6-31+g(d).gjf (generated)

051208864.td-b3lyp_6-31+g(d).firefly.inp (generated)

051208864.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051208864.mol 051208864.PUBCHEM 051208864.mol (via Jmol)
051209432.b3lyp_6-31g(d).inp

051209432.b3lyp_6-31g(d).qchem.inp (generated)

051209432.b3lyp_6-31g(d).gjf (generated)

051209432.b3lyp_6-31g(d).firefly.inp (generated)

051209432.b3lyp_6-31g(d).smash.inp (generated)

051209432.b3lyp_6-31g(d).nwchem.inp (generated) 051209432.b3lyp_6-31g(d).log.xz 051209432.td-b3lyp_6-31g+(d).inp 051209432.td-b3lyp_6-31g+(d).log.xz

051209432.td-b3lyp_6-31+g(d).qchem.inp (generated)

051209432.td-b3lyp_6-31+g(d).gjf (generated)

051209432.td-b3lyp_6-31+g(d).firefly.inp (generated)

051209432.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051209432.mol 051209432.PUBCHEM 051209432.mol (via Jmol)
051209580.b3lyp_6-31g(d).inp

051209580.b3lyp_6-31g(d).qchem.inp (generated)

051209580.b3lyp_6-31g(d).gjf (generated)

051209580.b3lyp_6-31g(d).firefly.inp (generated)

051209580.b3lyp_6-31g(d).smash.inp (generated)

051209580.b3lyp_6-31g(d).nwchem.inp (generated) 051209580.b3lyp_6-31g(d).log.xz 051209580.td-b3lyp_6-31g+(d).inp 051209580.td-b3lyp_6-31g+(d).log.xz

051209580.td-b3lyp_6-31+g(d).qchem.inp (generated)

051209580.td-b3lyp_6-31+g(d).gjf (generated)

051209580.td-b3lyp_6-31+g(d).firefly.inp (generated)

051209580.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051209580.mol 051209580.PUBCHEM 051209580.mol (via Jmol)
051209711.b3lyp_6-31g(d).inp

051209711.b3lyp_6-31g(d).qchem.inp (generated)

051209711.b3lyp_6-31g(d).gjf (generated)

051209711.b3lyp_6-31g(d).firefly.inp (generated)

051209711.b3lyp_6-31g(d).smash.inp (generated)

051209711.b3lyp_6-31g(d).nwchem.inp (generated) 051209711.b3lyp_6-31g(d).log.xz 051209711.mol 051209711.PUBCHEM 051209711.mol (via Jmol)
051209851.b3lyp_6-31g(d).inp

051209851.b3lyp_6-31g(d).qchem.inp (generated)

051209851.b3lyp_6-31g(d).gjf (generated)

051209851.b3lyp_6-31g(d).firefly.inp (generated)

051209851.b3lyp_6-31g(d).smash.inp (generated)

051209851.b3lyp_6-31g(d).nwchem.inp (generated) 051209851.b3lyp_6-31g(d).log.xz 051209851.td-b3lyp_6-31g+(d).inp 051209851.td-b3lyp_6-31g+(d).log.xz

051209851.td-b3lyp_6-31+g(d).qchem.inp (generated)

051209851.td-b3lyp_6-31+g(d).gjf (generated)

051209851.td-b3lyp_6-31+g(d).firefly.inp (generated)

051209851.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051209851.mol 051209851.PUBCHEM 051209851.mol (via Jmol)
051210233.b3lyp_6-31g(d).inp

051210233.b3lyp_6-31g(d).qchem.inp (generated)

051210233.b3lyp_6-31g(d).gjf (generated)

051210233.b3lyp_6-31g(d).firefly.inp (generated)

051210233.b3lyp_6-31g(d).smash.inp (generated)

051210233.b3lyp_6-31g(d).nwchem.inp (generated) 051210233.b3lyp_6-31g(d).log.xz 051210233.td-b3lyp_6-31g+(d).inp 051210233.td-b3lyp_6-31g+(d).log.xz

051210233.td-b3lyp_6-31+g(d).qchem.inp (generated)

051210233.td-b3lyp_6-31+g(d).gjf (generated)

051210233.td-b3lyp_6-31+g(d).firefly.inp (generated)

051210233.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051210233.mol 051210233.PUBCHEM 051210233.mol (via Jmol)
051210435.b3lyp_6-31g(d).inp

051210435.b3lyp_6-31g(d).qchem.inp (generated)

051210435.b3lyp_6-31g(d).gjf (generated)

051210435.b3lyp_6-31g(d).firefly.inp (generated)

051210435.b3lyp_6-31g(d).smash.inp (generated)

051210435.b3lyp_6-31g(d).nwchem.inp (generated) 051210435.b3lyp_6-31g(d).log.xz 051210435.mol 051210435.PUBCHEM 051210435.mol (via Jmol)
051210450.b3lyp_6-31g(d).inp

051210450.b3lyp_6-31g(d).qchem.inp (generated)

051210450.b3lyp_6-31g(d).gjf (generated)

051210450.b3lyp_6-31g(d).firefly.inp (generated)

051210450.b3lyp_6-31g(d).smash.inp (generated)

051210450.b3lyp_6-31g(d).nwchem.inp (generated) 051210450.b3lyp_6-31g(d).log.xz 051210450.mol 051210450.PUBCHEM 051210450.mol (via Jmol)
051210474.b3lyp_6-31g(d).inp

051210474.b3lyp_6-31g(d).qchem.inp (generated)

051210474.b3lyp_6-31g(d).gjf (generated)

051210474.b3lyp_6-31g(d).firefly.inp (generated)

051210474.b3lyp_6-31g(d).smash.inp (generated)

051210474.b3lyp_6-31g(d).nwchem.inp (generated) 051210474.b3lyp_6-31g(d).log.xz 051210474.td-b3lyp_6-31g+(d).inp 051210474.td-b3lyp_6-31g+(d).log.xz

051210474.td-b3lyp_6-31+g(d).qchem.inp (generated)

051210474.td-b3lyp_6-31+g(d).gjf (generated)

051210474.td-b3lyp_6-31+g(d).firefly.inp (generated)

051210474.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051210474.mol 051210474.PUBCHEM 051210474.mol (via Jmol)
051210501.b3lyp_6-31g(d).inp

051210501.b3lyp_6-31g(d).qchem.inp (generated)

051210501.b3lyp_6-31g(d).gjf (generated)

051210501.b3lyp_6-31g(d).firefly.inp (generated)

051210501.b3lyp_6-31g(d).smash.inp (generated)

051210501.b3lyp_6-31g(d).nwchem.inp (generated) 051210501.b3lyp_6-31g(d).log.xz 051210501.td-b3lyp_6-31g+(d).inp 051210501.td-b3lyp_6-31g+(d).log.xz

051210501.td-b3lyp_6-31+g(d).qchem.inp (generated)

051210501.td-b3lyp_6-31+g(d).gjf (generated)

051210501.td-b3lyp_6-31+g(d).firefly.inp (generated)

051210501.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051210501.mol 051210501.PUBCHEM 051210501.mol (via Jmol)
051210611.b3lyp_6-31g(d).inp

051210611.b3lyp_6-31g(d).qchem.inp (generated)

051210611.b3lyp_6-31g(d).gjf (generated)

051210611.b3lyp_6-31g(d).firefly.inp (generated)

051210611.b3lyp_6-31g(d).smash.inp (generated)

051210611.b3lyp_6-31g(d).nwchem.inp (generated) 051210611.b3lyp_6-31g(d).log.xz 051210611.td-b3lyp_6-31g+(d).inp 051210611.td-b3lyp_6-31g+(d).log.xz

051210611.td-b3lyp_6-31+g(d).qchem.inp (generated)

051210611.td-b3lyp_6-31+g(d).gjf (generated)

051210611.td-b3lyp_6-31+g(d).firefly.inp (generated)

051210611.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051210611.mol 051210611.PUBCHEM 051210611.mol (via Jmol)
051210643.b3lyp_6-31g(d).inp

051210643.b3lyp_6-31g(d).qchem.inp (generated)

051210643.b3lyp_6-31g(d).gjf (generated)

051210643.b3lyp_6-31g(d).firefly.inp (generated)

051210643.b3lyp_6-31g(d).smash.inp (generated)

051210643.b3lyp_6-31g(d).nwchem.inp (generated) 051210643.b3lyp_6-31g(d).log.xz 051210643.mol 051210643.PUBCHEM 051210643.mol (via Jmol)
051210679.b3lyp_6-31g(d).inp

051210679.b3lyp_6-31g(d).qchem.inp (generated)

051210679.b3lyp_6-31g(d).gjf (generated)

051210679.b3lyp_6-31g(d).firefly.inp (generated)

051210679.b3lyp_6-31g(d).smash.inp (generated)

051210679.b3lyp_6-31g(d).nwchem.inp (generated) 051210679.b3lyp_6-31g(d).log.xz 051210679.td-b3lyp_6-31g+(d).inp 051210679.td-b3lyp_6-31g+(d).log.xz

051210679.td-b3lyp_6-31+g(d).qchem.inp (generated)

051210679.td-b3lyp_6-31+g(d).gjf (generated)

051210679.td-b3lyp_6-31+g(d).firefly.inp (generated)

051210679.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051210679.mol 051210679.PUBCHEM 051210679.mol (via Jmol)
051210689.b3lyp_6-31g(d).inp

051210689.b3lyp_6-31g(d).qchem.inp (generated)

051210689.b3lyp_6-31g(d).gjf (generated)

051210689.b3lyp_6-31g(d).firefly.inp (generated)

051210689.b3lyp_6-31g(d).smash.inp (generated)

051210689.b3lyp_6-31g(d).nwchem.inp (generated) 051210689.b3lyp_6-31g(d).log.xz 051210689.td-b3lyp_6-31g+(d).inp 051210689.td-b3lyp_6-31g+(d).log.xz

051210689.td-b3lyp_6-31+g(d).qchem.inp (generated)

051210689.td-b3lyp_6-31+g(d).gjf (generated)

051210689.td-b3lyp_6-31+g(d).firefly.inp (generated)

051210689.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051210689.mol 051210689.PUBCHEM 051210689.mol (via Jmol)
051210695.b3lyp_6-31g(d).inp

051210695.b3lyp_6-31g(d).qchem.inp (generated)

051210695.b3lyp_6-31g(d).gjf (generated)

051210695.b3lyp_6-31g(d).firefly.inp (generated)

051210695.b3lyp_6-31g(d).smash.inp (generated)

051210695.b3lyp_6-31g(d).nwchem.inp (generated) 051210695.b3lyp_6-31g(d).log.xz 051210695.td-b3lyp_6-31g+(d).inp 051210695.td-b3lyp_6-31g+(d).log.xz

051210695.td-b3lyp_6-31+g(d).qchem.inp (generated)

051210695.td-b3lyp_6-31+g(d).gjf (generated)

051210695.td-b3lyp_6-31+g(d).firefly.inp (generated)

051210695.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051210695.mol 051210695.PUBCHEM 051210695.mol (via Jmol)
051210697.b3lyp_6-31g(d).inp

051210697.b3lyp_6-31g(d).qchem.inp (generated)

051210697.b3lyp_6-31g(d).gjf (generated)

051210697.b3lyp_6-31g(d).firefly.inp (generated)

051210697.b3lyp_6-31g(d).smash.inp (generated)

051210697.b3lyp_6-31g(d).nwchem.inp (generated) 051210697.b3lyp_6-31g(d).log.xz 051210697.td-b3lyp_6-31g+(d).inp 051210697.td-b3lyp_6-31g+(d).log.xz

051210697.td-b3lyp_6-31+g(d).qchem.inp (generated)

051210697.td-b3lyp_6-31+g(d).gjf (generated)

051210697.td-b3lyp_6-31+g(d).firefly.inp (generated)

051210697.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051210697.mol 051210697.PUBCHEM 051210697.mol (via Jmol)
051210699.b3lyp_6-31g(d).inp

051210699.b3lyp_6-31g(d).qchem.inp (generated)

051210699.b3lyp_6-31g(d).gjf (generated)

051210699.b3lyp_6-31g(d).firefly.inp (generated)

051210699.b3lyp_6-31g(d).smash.inp (generated)

051210699.b3lyp_6-31g(d).nwchem.inp (generated) 051210699.b3lyp_6-31g(d).log.xz 051210699.td-b3lyp_6-31g+(d).inp 051210699.td-b3lyp_6-31g+(d).log.xz

051210699.td-b3lyp_6-31+g(d).qchem.inp (generated)

051210699.td-b3lyp_6-31+g(d).gjf (generated)

051210699.td-b3lyp_6-31+g(d).firefly.inp (generated)

051210699.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051210699.mol 051210699.PUBCHEM 051210699.mol (via Jmol)
051210703.b3lyp_6-31g(d).inp

051210703.b3lyp_6-31g(d).qchem.inp (generated)

051210703.b3lyp_6-31g(d).gjf (generated)

051210703.b3lyp_6-31g(d).firefly.inp (generated)

051210703.b3lyp_6-31g(d).smash.inp (generated)

051210703.b3lyp_6-31g(d).nwchem.inp (generated) 051210703.b3lyp_6-31g(d).log.xz 051210703.td-b3lyp_6-31g+(d).inp 051210703.td-b3lyp_6-31g+(d).log.xz

051210703.td-b3lyp_6-31+g(d).qchem.inp (generated)

051210703.td-b3lyp_6-31+g(d).gjf (generated)

051210703.td-b3lyp_6-31+g(d).firefly.inp (generated)

051210703.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051210703.mol 051210703.PUBCHEM 051210703.mol (via Jmol)
051210756.b3lyp_6-31g(d).inp

051210756.b3lyp_6-31g(d).qchem.inp (generated)

051210756.b3lyp_6-31g(d).gjf (generated)

051210756.b3lyp_6-31g(d).firefly.inp (generated)

051210756.b3lyp_6-31g(d).smash.inp (generated)

051210756.b3lyp_6-31g(d).nwchem.inp (generated) 051210756.b3lyp_6-31g(d).log.xz 051210756.td-b3lyp_6-31g+(d).inp 051210756.td-b3lyp_6-31g+(d).log.xz

051210756.td-b3lyp_6-31+g(d).qchem.inp (generated)

051210756.td-b3lyp_6-31+g(d).gjf (generated)

051210756.td-b3lyp_6-31+g(d).firefly.inp (generated)

051210756.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051210756.mol 051210756.PUBCHEM 051210756.mol (via Jmol)
051210759.b3lyp_6-31g(d).inp

051210759.b3lyp_6-31g(d).qchem.inp (generated)

051210759.b3lyp_6-31g(d).gjf (generated)

051210759.b3lyp_6-31g(d).firefly.inp (generated)

051210759.b3lyp_6-31g(d).smash.inp (generated)

051210759.b3lyp_6-31g(d).nwchem.inp (generated) 051210759.b3lyp_6-31g(d).log.xz 051210759.td-b3lyp_6-31g+(d).inp 051210759.td-b3lyp_6-31g+(d).log.xz

051210759.td-b3lyp_6-31+g(d).qchem.inp (generated)

051210759.td-b3lyp_6-31+g(d).gjf (generated)

051210759.td-b3lyp_6-31+g(d).firefly.inp (generated)

051210759.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051210759.mol 051210759.PUBCHEM 051210759.mol (via Jmol)
051210761.b3lyp_6-31g(d).inp

051210761.b3lyp_6-31g(d).qchem.inp (generated)

051210761.b3lyp_6-31g(d).gjf (generated)

051210761.b3lyp_6-31g(d).firefly.inp (generated)

051210761.b3lyp_6-31g(d).smash.inp (generated)

051210761.b3lyp_6-31g(d).nwchem.inp (generated) 051210761.b3lyp_6-31g(d).log.xz 051210761.mol 051210761.PUBCHEM 051210761.mol (via Jmol)
051210762.b3lyp_6-31g(d).inp

051210762.b3lyp_6-31g(d).qchem.inp (generated)

051210762.b3lyp_6-31g(d).gjf (generated)

051210762.b3lyp_6-31g(d).firefly.inp (generated)

051210762.b3lyp_6-31g(d).smash.inp (generated)

051210762.b3lyp_6-31g(d).nwchem.inp (generated) 051210762.b3lyp_6-31g(d).log.xz 051210762.td-b3lyp_6-31g+(d).inp 051210762.td-b3lyp_6-31g+(d).log.xz

051210762.td-b3lyp_6-31+g(d).qchem.inp (generated)

051210762.td-b3lyp_6-31+g(d).gjf (generated)

051210762.td-b3lyp_6-31+g(d).firefly.inp (generated)

051210762.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051210762.mol 051210762.PUBCHEM 051210762.mol (via Jmol)
051210764.b3lyp_6-31g(d).inp

051210764.b3lyp_6-31g(d).qchem.inp (generated)

051210764.b3lyp_6-31g(d).gjf (generated)

051210764.b3lyp_6-31g(d).firefly.inp (generated)

051210764.b3lyp_6-31g(d).smash.inp (generated)

051210764.b3lyp_6-31g(d).nwchem.inp (generated) 051210764.b3lyp_6-31g(d).log.xz 051210764.mol 051210764.PUBCHEM 051210764.mol (via Jmol)
051210808.b3lyp_6-31g(d).inp

051210808.b3lyp_6-31g(d).qchem.inp (generated)

051210808.b3lyp_6-31g(d).gjf (generated)

051210808.b3lyp_6-31g(d).firefly.inp (generated)

051210808.b3lyp_6-31g(d).smash.inp (generated)

051210808.b3lyp_6-31g(d).nwchem.inp (generated) 051210808.b3lyp_6-31g(d).log.xz 051210808.td-b3lyp_6-31g+(d).inp 051210808.td-b3lyp_6-31g+(d).log.xz

051210808.td-b3lyp_6-31+g(d).qchem.inp (generated)

051210808.td-b3lyp_6-31+g(d).gjf (generated)

051210808.td-b3lyp_6-31+g(d).firefly.inp (generated)

051210808.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051210808.mol 051210808.PUBCHEM 051210808.mol (via Jmol)
051210810.b3lyp_6-31g(d).inp

051210810.b3lyp_6-31g(d).qchem.inp (generated)

051210810.b3lyp_6-31g(d).gjf (generated)

051210810.b3lyp_6-31g(d).firefly.inp (generated)

051210810.b3lyp_6-31g(d).smash.inp (generated)

051210810.b3lyp_6-31g(d).nwchem.inp (generated) 051210810.b3lyp_6-31g(d).log.xz 051210810.td-b3lyp_6-31g+(d).inp 051210810.td-b3lyp_6-31g+(d).log.xz

051210810.td-b3lyp_6-31+g(d).qchem.inp (generated)

051210810.td-b3lyp_6-31+g(d).gjf (generated)

051210810.td-b3lyp_6-31+g(d).firefly.inp (generated)

051210810.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051210810.mol 051210810.PUBCHEM 051210810.mol (via Jmol)
051210856.b3lyp_6-31g(d).inp

051210856.b3lyp_6-31g(d).qchem.inp (generated)

051210856.b3lyp_6-31g(d).gjf (generated)

051210856.b3lyp_6-31g(d).firefly.inp (generated)

051210856.b3lyp_6-31g(d).smash.inp (generated)

051210856.b3lyp_6-31g(d).nwchem.inp (generated) 051210856.b3lyp_6-31g(d).log.xz 051210856.td-b3lyp_6-31g+(d).inp 051210856.td-b3lyp_6-31g+(d).log.xz

051210856.td-b3lyp_6-31+g(d).qchem.inp (generated)

051210856.td-b3lyp_6-31+g(d).gjf (generated)

051210856.td-b3lyp_6-31+g(d).firefly.inp (generated)

051210856.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051210856.mol 051210856.PUBCHEM 051210856.mol (via Jmol)
051210897.b3lyp_6-31g(d).inp

051210897.b3lyp_6-31g(d).qchem.inp (generated)

051210897.b3lyp_6-31g(d).gjf (generated)

051210897.b3lyp_6-31g(d).firefly.inp (generated)

051210897.b3lyp_6-31g(d).smash.inp (generated)

051210897.b3lyp_6-31g(d).nwchem.inp (generated) 051210897.b3lyp_6-31g(d).log.xz 051210897.td-b3lyp_6-31g+(d).inp 051210897.td-b3lyp_6-31g+(d).log.xz

051210897.td-b3lyp_6-31+g(d).qchem.inp (generated)

051210897.td-b3lyp_6-31+g(d).gjf (generated)

051210897.td-b3lyp_6-31+g(d).firefly.inp (generated)

051210897.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051210897.mol 051210897.PUBCHEM 051210897.mol (via Jmol)
051210903.b3lyp_6-31g(d).inp

051210903.b3lyp_6-31g(d).qchem.inp (generated)

051210903.b3lyp_6-31g(d).gjf (generated)

051210903.b3lyp_6-31g(d).firefly.inp (generated)

051210903.b3lyp_6-31g(d).smash.inp (generated)

051210903.b3lyp_6-31g(d).nwchem.inp (generated) 051210903.b3lyp_6-31g(d).log.xz 051210903.td-b3lyp_6-31g+(d).inp 051210903.td-b3lyp_6-31g+(d).log.xz

051210903.td-b3lyp_6-31+g(d).qchem.inp (generated)

051210903.td-b3lyp_6-31+g(d).gjf (generated)

051210903.td-b3lyp_6-31+g(d).firefly.inp (generated)

051210903.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051210903.mol 051210903.PUBCHEM 051210903.mol (via Jmol)
051210906.b3lyp_6-31g(d).inp

051210906.b3lyp_6-31g(d).qchem.inp (generated)

051210906.b3lyp_6-31g(d).gjf (generated)

051210906.b3lyp_6-31g(d).firefly.inp (generated)

051210906.b3lyp_6-31g(d).smash.inp (generated)

051210906.b3lyp_6-31g(d).nwchem.inp (generated) 051210906.b3lyp_6-31g(d).log.xz 051210906.td-b3lyp_6-31g+(d).inp 051210906.td-b3lyp_6-31g+(d).log.xz

051210906.td-b3lyp_6-31+g(d).qchem.inp (generated)

051210906.td-b3lyp_6-31+g(d).gjf (generated)

051210906.td-b3lyp_6-31+g(d).firefly.inp (generated)

051210906.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051210906.mol 051210906.PUBCHEM 051210906.mol (via Jmol)
051210908.b3lyp_6-31g(d).inp

051210908.b3lyp_6-31g(d).qchem.inp (generated)

051210908.b3lyp_6-31g(d).gjf (generated)

051210908.b3lyp_6-31g(d).firefly.inp (generated)

051210908.b3lyp_6-31g(d).smash.inp (generated)

051210908.b3lyp_6-31g(d).nwchem.inp (generated) 051210908.b3lyp_6-31g(d).log.xz 051210908.td-b3lyp_6-31g+(d).inp 051210908.td-b3lyp_6-31g+(d).log.xz

051210908.td-b3lyp_6-31+g(d).qchem.inp (generated)

051210908.td-b3lyp_6-31+g(d).gjf (generated)

051210908.td-b3lyp_6-31+g(d).firefly.inp (generated)

051210908.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051210908.mol 051210908.PUBCHEM 051210908.mol (via Jmol)
051210917.b3lyp_6-31g(d).inp

051210917.b3lyp_6-31g(d).qchem.inp (generated)

051210917.b3lyp_6-31g(d).gjf (generated)

051210917.b3lyp_6-31g(d).firefly.inp (generated)

051210917.b3lyp_6-31g(d).smash.inp (generated)

051210917.b3lyp_6-31g(d).nwchem.inp (generated) 051210917.b3lyp_6-31g(d).log.xz 051210917.td-b3lyp_6-31g+(d).inp 051210917.td-b3lyp_6-31g+(d).log.xz

051210917.td-b3lyp_6-31+g(d).qchem.inp (generated)

051210917.td-b3lyp_6-31+g(d).gjf (generated)

051210917.td-b3lyp_6-31+g(d).firefly.inp (generated)

051210917.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051210917.mol 051210917.PUBCHEM 051210917.mol (via Jmol)
051210928.b3lyp_6-31g(d).inp

051210928.b3lyp_6-31g(d).qchem.inp (generated)

051210928.b3lyp_6-31g(d).gjf (generated)

051210928.b3lyp_6-31g(d).firefly.inp (generated)

051210928.b3lyp_6-31g(d).smash.inp (generated)

051210928.b3lyp_6-31g(d).nwchem.inp (generated) 051210928.b3lyp_6-31g(d).log.xz 051210928.mol 051210928.PUBCHEM 051210928.mol (via Jmol)
051210952.b3lyp_6-31g(d).inp

051210952.b3lyp_6-31g(d).qchem.inp (generated)

051210952.b3lyp_6-31g(d).gjf (generated)

051210952.b3lyp_6-31g(d).firefly.inp (generated)

051210952.b3lyp_6-31g(d).smash.inp (generated)

051210952.b3lyp_6-31g(d).nwchem.inp (generated) 051210952.b3lyp_6-31g(d).log.xz 051210952.mol 051210952.PUBCHEM 051210952.mol (via Jmol)
051210969.b3lyp_6-31g(d).inp

051210969.b3lyp_6-31g(d).qchem.inp (generated)

051210969.b3lyp_6-31g(d).gjf (generated)

051210969.b3lyp_6-31g(d).firefly.inp (generated)

051210969.b3lyp_6-31g(d).smash.inp (generated)

051210969.b3lyp_6-31g(d).nwchem.inp (generated) 051210969.b3lyp_6-31g(d).log.xz 051210969.td-b3lyp_6-31g+(d).inp 051210969.td-b3lyp_6-31g+(d).log.xz

051210969.td-b3lyp_6-31+g(d).qchem.inp (generated)

051210969.td-b3lyp_6-31+g(d).gjf (generated)

051210969.td-b3lyp_6-31+g(d).firefly.inp (generated)

051210969.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051210969.mol 051210969.PUBCHEM 051210969.mol (via Jmol)
051210974.b3lyp_6-31g(d).inp

051210974.b3lyp_6-31g(d).qchem.inp (generated)

051210974.b3lyp_6-31g(d).gjf (generated)

051210974.b3lyp_6-31g(d).firefly.inp (generated)

051210974.b3lyp_6-31g(d).smash.inp (generated)

051210974.b3lyp_6-31g(d).nwchem.inp (generated) 051210974.b3lyp_6-31g(d).log.xz 051210974.td-b3lyp_6-31g+(d).inp 051210974.td-b3lyp_6-31g+(d).log.xz

051210974.td-b3lyp_6-31+g(d).qchem.inp (generated)

051210974.td-b3lyp_6-31+g(d).gjf (generated)

051210974.td-b3lyp_6-31+g(d).firefly.inp (generated)

051210974.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051210974.mol 051210974.PUBCHEM 051210974.mol (via Jmol)
051211001.b3lyp_6-31g(d).inp

051211001.b3lyp_6-31g(d).qchem.inp (generated)

051211001.b3lyp_6-31g(d).gjf (generated)

051211001.b3lyp_6-31g(d).firefly.inp (generated)

051211001.b3lyp_6-31g(d).smash.inp (generated)

051211001.b3lyp_6-31g(d).nwchem.inp (generated) 051211001.b3lyp_6-31g(d).log.xz 051211001.mol 051211001.PUBCHEM 051211001.mol (via Jmol)
051211026.b3lyp_6-31g(d).inp

051211026.b3lyp_6-31g(d).qchem.inp (generated)

051211026.b3lyp_6-31g(d).gjf (generated)

051211026.b3lyp_6-31g(d).firefly.inp (generated)

051211026.b3lyp_6-31g(d).smash.inp (generated)

051211026.b3lyp_6-31g(d).nwchem.inp (generated) 051211026.b3lyp_6-31g(d).log.xz 051211026.td-b3lyp_6-31g+(d).inp 051211026.td-b3lyp_6-31g+(d).log.xz

051211026.td-b3lyp_6-31+g(d).qchem.inp (generated)

051211026.td-b3lyp_6-31+g(d).gjf (generated)

051211026.td-b3lyp_6-31+g(d).firefly.inp (generated)

051211026.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051211026.mol 051211026.PUBCHEM 051211026.mol (via Jmol)
051211066.b3lyp_6-31g(d).inp

051211066.b3lyp_6-31g(d).qchem.inp (generated)

051211066.b3lyp_6-31g(d).gjf (generated)

051211066.b3lyp_6-31g(d).firefly.inp (generated)

051211066.b3lyp_6-31g(d).smash.inp (generated)

051211066.b3lyp_6-31g(d).nwchem.inp (generated) 051211066.b3lyp_6-31g(d).log.xz 051211066.td-b3lyp_6-31g+(d).inp 051211066.td-b3lyp_6-31g+(d).log.xz

051211066.td-b3lyp_6-31+g(d).qchem.inp (generated)

051211066.td-b3lyp_6-31+g(d).gjf (generated)

051211066.td-b3lyp_6-31+g(d).firefly.inp (generated)

051211066.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051211066.mol 051211066.PUBCHEM 051211066.mol (via Jmol)
051211203.b3lyp_6-31g(d).inp

051211203.b3lyp_6-31g(d).qchem.inp (generated)

051211203.b3lyp_6-31g(d).gjf (generated)

051211203.b3lyp_6-31g(d).firefly.inp (generated)

051211203.b3lyp_6-31g(d).smash.inp (generated)

051211203.b3lyp_6-31g(d).nwchem.inp (generated) 051211203.b3lyp_6-31g(d).log.xz 051211203.mol 051211203.PUBCHEM 051211203.mol (via Jmol)
051211339.b3lyp_6-31g(d).inp

051211339.b3lyp_6-31g(d).qchem.inp (generated)

051211339.b3lyp_6-31g(d).gjf (generated)

051211339.b3lyp_6-31g(d).firefly.inp (generated)

051211339.b3lyp_6-31g(d).smash.inp (generated)

051211339.b3lyp_6-31g(d).nwchem.inp (generated) 051211339.b3lyp_6-31g(d).log.xz 051211339.td-b3lyp_6-31g+(d).inp 051211339.td-b3lyp_6-31g+(d).log.xz

051211339.td-b3lyp_6-31+g(d).qchem.inp (generated)

051211339.td-b3lyp_6-31+g(d).gjf (generated)

051211339.td-b3lyp_6-31+g(d).firefly.inp (generated)

051211339.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051211339.mol 051211339.PUBCHEM 051211339.mol (via Jmol)
051211358.b3lyp_6-31g(d).inp

051211358.b3lyp_6-31g(d).qchem.inp (generated)

051211358.b3lyp_6-31g(d).gjf (generated)

051211358.b3lyp_6-31g(d).firefly.inp (generated)

051211358.b3lyp_6-31g(d).smash.inp (generated)

051211358.b3lyp_6-31g(d).nwchem.inp (generated) 051211358.b3lyp_6-31g(d).log.xz 051211358.td-b3lyp_6-31g+(d).inp 051211358.td-b3lyp_6-31g+(d).log.xz

051211358.td-b3lyp_6-31+g(d).qchem.inp (generated)

051211358.td-b3lyp_6-31+g(d).gjf (generated)

051211358.td-b3lyp_6-31+g(d).firefly.inp (generated)

051211358.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051211358.mol 051211358.PUBCHEM 051211358.mol (via Jmol)
051211671.b3lyp_6-31g(d).inp

051211671.b3lyp_6-31g(d).qchem.inp (generated)

051211671.b3lyp_6-31g(d).gjf (generated)

051211671.b3lyp_6-31g(d).firefly.inp (generated)

051211671.b3lyp_6-31g(d).smash.inp (generated)

051211671.b3lyp_6-31g(d).nwchem.inp (generated) 051211671.b3lyp_6-31g(d).log.xz 051211671.mol 051211671.PUBCHEM 051211671.mol (via Jmol)
051211721.b3lyp_6-31g(d).inp

051211721.b3lyp_6-31g(d).qchem.inp (generated)

051211721.b3lyp_6-31g(d).gjf (generated)

051211721.b3lyp_6-31g(d).firefly.inp (generated)

051211721.b3lyp_6-31g(d).smash.inp (generated)

051211721.b3lyp_6-31g(d).nwchem.inp (generated) 051211721.b3lyp_6-31g(d).log.xz 051211721.mol 051211721.PUBCHEM 051211721.mol (via Jmol)
051211762.b3lyp_6-31g(d).inp

051211762.b3lyp_6-31g(d).qchem.inp (generated)

051211762.b3lyp_6-31g(d).gjf (generated)

051211762.b3lyp_6-31g(d).firefly.inp (generated)

051211762.b3lyp_6-31g(d).smash.inp (generated)

051211762.b3lyp_6-31g(d).nwchem.inp (generated) 051211762.b3lyp_6-31g(d).log.xz 051211762.td-b3lyp_6-31g+(d).inp 051211762.td-b3lyp_6-31g+(d).log.xz

051211762.td-b3lyp_6-31+g(d).qchem.inp (generated)

051211762.td-b3lyp_6-31+g(d).gjf (generated)

051211762.td-b3lyp_6-31+g(d).firefly.inp (generated)

051211762.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051211762.mol 051211762.PUBCHEM 051211762.mol (via Jmol)
051214837.b3lyp_6-31g(d).inp

051214837.b3lyp_6-31g(d).qchem.inp (generated)

051214837.b3lyp_6-31g(d).gjf (generated)

051214837.b3lyp_6-31g(d).firefly.inp (generated)

051214837.b3lyp_6-31g(d).smash.inp (generated)

051214837.b3lyp_6-31g(d).nwchem.inp (generated) 051214837.b3lyp_6-31g(d).log.xz 051214837.td-b3lyp_6-31g+(d).inp 051214837.td-b3lyp_6-31g+(d).log.xz

051214837.td-b3lyp_6-31+g(d).qchem.inp (generated)

051214837.td-b3lyp_6-31+g(d).gjf (generated)

051214837.td-b3lyp_6-31+g(d).firefly.inp (generated)

051214837.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051214837.mol 051214837.PUBCHEM 051214837.mol (via Jmol)
051215808.b3lyp_6-31g(d).inp

051215808.b3lyp_6-31g(d).qchem.inp (generated)

051215808.b3lyp_6-31g(d).gjf (generated)

051215808.b3lyp_6-31g(d).firefly.inp (generated)

051215808.b3lyp_6-31g(d).smash.inp (generated)

051215808.b3lyp_6-31g(d).nwchem.inp (generated) 051215808.b3lyp_6-31g(d).log.xz 051215808.td-b3lyp_6-31g+(d).inp 051215808.td-b3lyp_6-31g+(d).log.xz

051215808.td-b3lyp_6-31+g(d).qchem.inp (generated)

051215808.td-b3lyp_6-31+g(d).gjf (generated)

051215808.td-b3lyp_6-31+g(d).firefly.inp (generated)

051215808.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051215808.mol 051215808.PUBCHEM 051215808.mol (via Jmol)
051216066.b3lyp_6-31g(d).inp

051216066.b3lyp_6-31g(d).qchem.inp (generated)

051216066.b3lyp_6-31g(d).gjf (generated)

051216066.b3lyp_6-31g(d).firefly.inp (generated)

051216066.b3lyp_6-31g(d).smash.inp (generated)

051216066.b3lyp_6-31g(d).nwchem.inp (generated) 051216066.b3lyp_6-31g(d).log.xz 051216066.td-b3lyp_6-31g+(d).inp 051216066.td-b3lyp_6-31g+(d).log.xz

051216066.td-b3lyp_6-31+g(d).qchem.inp (generated)

051216066.td-b3lyp_6-31+g(d).gjf (generated)

051216066.td-b3lyp_6-31+g(d).firefly.inp (generated)

051216066.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051216066.mol 051216066.PUBCHEM 051216066.mol (via Jmol)
051216344.b3lyp_6-31g(d).inp

051216344.b3lyp_6-31g(d).qchem.inp (generated)

051216344.b3lyp_6-31g(d).gjf (generated)

051216344.b3lyp_6-31g(d).firefly.inp (generated)

051216344.b3lyp_6-31g(d).smash.inp (generated)

051216344.b3lyp_6-31g(d).nwchem.inp (generated) 051216344.b3lyp_6-31g(d).log.xz 051216344.td-b3lyp_6-31g+(d).inp 051216344.td-b3lyp_6-31g+(d).log.xz

051216344.td-b3lyp_6-31+g(d).qchem.inp (generated)

051216344.td-b3lyp_6-31+g(d).gjf (generated)

051216344.td-b3lyp_6-31+g(d).firefly.inp (generated)

051216344.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051216344.mol 051216344.PUBCHEM 051216344.mol (via Jmol)
051218605.b3lyp_6-31g(d).inp

051218605.b3lyp_6-31g(d).qchem.inp (generated)

051218605.b3lyp_6-31g(d).gjf (generated)

051218605.b3lyp_6-31g(d).firefly.inp (generated)

051218605.b3lyp_6-31g(d).smash.inp (generated)

051218605.b3lyp_6-31g(d).nwchem.inp (generated) 051218605.b3lyp_6-31g(d).log.xz 051218605.td-b3lyp_6-31g+(d).inp 051218605.td-b3lyp_6-31g+(d).log.xz

051218605.td-b3lyp_6-31+g(d).qchem.inp (generated)

051218605.td-b3lyp_6-31+g(d).gjf (generated)

051218605.td-b3lyp_6-31+g(d).firefly.inp (generated)

051218605.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051218605.mol 051218605.PUBCHEM 051218605.mol (via Jmol)
051218635.b3lyp_6-31g(d).inp

051218635.b3lyp_6-31g(d).qchem.inp (generated)

051218635.b3lyp_6-31g(d).gjf (generated)

051218635.b3lyp_6-31g(d).firefly.inp (generated)

051218635.b3lyp_6-31g(d).smash.inp (generated)

051218635.b3lyp_6-31g(d).nwchem.inp (generated) 051218635.b3lyp_6-31g(d).log.xz 051218635.td-b3lyp_6-31g+(d).inp 051218635.td-b3lyp_6-31g+(d).log.xz

051218635.td-b3lyp_6-31+g(d).qchem.inp (generated)

051218635.td-b3lyp_6-31+g(d).gjf (generated)

051218635.td-b3lyp_6-31+g(d).firefly.inp (generated)

051218635.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051218635.mol 051218635.PUBCHEM 051218635.mol (via Jmol)
051218711.b3lyp_6-31g(d).inp

051218711.b3lyp_6-31g(d).qchem.inp (generated)

051218711.b3lyp_6-31g(d).gjf (generated)

051218711.b3lyp_6-31g(d).firefly.inp (generated)

051218711.b3lyp_6-31g(d).smash.inp (generated)

051218711.b3lyp_6-31g(d).nwchem.inp (generated) 051218711.b3lyp_6-31g(d).log.xz 051218711.td-b3lyp_6-31g+(d).inp 051218711.td-b3lyp_6-31g+(d).log.xz

051218711.td-b3lyp_6-31+g(d).qchem.inp (generated)

051218711.td-b3lyp_6-31+g(d).gjf (generated)

051218711.td-b3lyp_6-31+g(d).firefly.inp (generated)

051218711.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051218711.mol 051218711.PUBCHEM 051218711.mol (via Jmol)
051218718.b3lyp_6-31g(d).inp

051218718.b3lyp_6-31g(d).qchem.inp (generated)

051218718.b3lyp_6-31g(d).gjf (generated)

051218718.b3lyp_6-31g(d).firefly.inp (generated)

051218718.b3lyp_6-31g(d).smash.inp (generated)

051218718.b3lyp_6-31g(d).nwchem.inp (generated) 051218718.b3lyp_6-31g(d).log.xz 051218718.td-b3lyp_6-31g+(d).inp 051218718.td-b3lyp_6-31g+(d).log.xz

051218718.td-b3lyp_6-31+g(d).qchem.inp (generated)

051218718.td-b3lyp_6-31+g(d).gjf (generated)

051218718.td-b3lyp_6-31+g(d).firefly.inp (generated)

051218718.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051218718.mol 051218718.PUBCHEM 051218718.mol (via Jmol)
051218734.b3lyp_6-31g(d).inp

051218734.b3lyp_6-31g(d).qchem.inp (generated)

051218734.b3lyp_6-31g(d).gjf (generated)

051218734.b3lyp_6-31g(d).firefly.inp (generated)

051218734.b3lyp_6-31g(d).smash.inp (generated)

051218734.b3lyp_6-31g(d).nwchem.inp (generated) 051218734.b3lyp_6-31g(d).log.xz 051218734.td-b3lyp_6-31g+(d).inp 051218734.td-b3lyp_6-31g+(d).log.xz

051218734.td-b3lyp_6-31+g(d).qchem.inp (generated)

051218734.td-b3lyp_6-31+g(d).gjf (generated)

051218734.td-b3lyp_6-31+g(d).firefly.inp (generated)

051218734.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051218734.mol 051218734.PUBCHEM 051218734.mol (via Jmol)
051218767.b3lyp_6-31g(d).inp

051218767.b3lyp_6-31g(d).qchem.inp (generated)

051218767.b3lyp_6-31g(d).gjf (generated)

051218767.b3lyp_6-31g(d).firefly.inp (generated)

051218767.b3lyp_6-31g(d).smash.inp (generated)

051218767.b3lyp_6-31g(d).nwchem.inp (generated) 051218767.b3lyp_6-31g(d).log.xz 051218767.mol 051218767.PUBCHEM 051218767.mol (via Jmol)
051218910.b3lyp_6-31g(d).inp

051218910.b3lyp_6-31g(d).qchem.inp (generated)

051218910.b3lyp_6-31g(d).gjf (generated)

051218910.b3lyp_6-31g(d).firefly.inp (generated)

051218910.b3lyp_6-31g(d).smash.inp (generated)

051218910.b3lyp_6-31g(d).nwchem.inp (generated) 051218910.b3lyp_6-31g(d).log.xz 051218910.td-b3lyp_6-31g+(d).inp 051218910.td-b3lyp_6-31g+(d).log.xz

051218910.td-b3lyp_6-31+g(d).qchem.inp (generated)

051218910.td-b3lyp_6-31+g(d).gjf (generated)

051218910.td-b3lyp_6-31+g(d).firefly.inp (generated)

051218910.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051218910.mol 051218910.PUBCHEM 051218910.mol (via Jmol)
051218920.b3lyp_6-31g(d).inp

051218920.b3lyp_6-31g(d).qchem.inp (generated)

051218920.b3lyp_6-31g(d).gjf (generated)

051218920.b3lyp_6-31g(d).firefly.inp (generated)

051218920.b3lyp_6-31g(d).smash.inp (generated)

051218920.b3lyp_6-31g(d).nwchem.inp (generated) 051218920.b3lyp_6-31g(d).log.xz 051218920.td-b3lyp_6-31g+(d).inp 051218920.td-b3lyp_6-31g+(d).log.xz

051218920.td-b3lyp_6-31+g(d).qchem.inp (generated)

051218920.td-b3lyp_6-31+g(d).gjf (generated)

051218920.td-b3lyp_6-31+g(d).firefly.inp (generated)

051218920.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051218920.mol 051218920.PUBCHEM 051218920.mol (via Jmol)
051218921.b3lyp_6-31g(d).inp

051218921.b3lyp_6-31g(d).qchem.inp (generated)

051218921.b3lyp_6-31g(d).gjf (generated)

051218921.b3lyp_6-31g(d).firefly.inp (generated)

051218921.b3lyp_6-31g(d).smash.inp (generated)

051218921.b3lyp_6-31g(d).nwchem.inp (generated) 051218921.b3lyp_6-31g(d).log.xz 051218921.td-b3lyp_6-31g+(d).inp 051218921.td-b3lyp_6-31g+(d).log.xz

051218921.td-b3lyp_6-31+g(d).qchem.inp (generated)

051218921.td-b3lyp_6-31+g(d).gjf (generated)

051218921.td-b3lyp_6-31+g(d).firefly.inp (generated)

051218921.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051218921.mol 051218921.PUBCHEM 051218921.mol (via Jmol)
051218922.b3lyp_6-31g(d).inp

051218922.b3lyp_6-31g(d).qchem.inp (generated)

051218922.b3lyp_6-31g(d).gjf (generated)

051218922.b3lyp_6-31g(d).firefly.inp (generated)

051218922.b3lyp_6-31g(d).smash.inp (generated)

051218922.b3lyp_6-31g(d).nwchem.inp (generated) 051218922.b3lyp_6-31g(d).log.xz 051218922.td-b3lyp_6-31g+(d).inp 051218922.td-b3lyp_6-31g+(d).log.xz

051218922.td-b3lyp_6-31+g(d).qchem.inp (generated)

051218922.td-b3lyp_6-31+g(d).gjf (generated)

051218922.td-b3lyp_6-31+g(d).firefly.inp (generated)

051218922.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051218922.mol 051218922.PUBCHEM 051218922.mol (via Jmol)
051218924.b3lyp_6-31g(d).inp

051218924.b3lyp_6-31g(d).qchem.inp (generated)

051218924.b3lyp_6-31g(d).gjf (generated)

051218924.b3lyp_6-31g(d).firefly.inp (generated)

051218924.b3lyp_6-31g(d).smash.inp (generated)

051218924.b3lyp_6-31g(d).nwchem.inp (generated) 051218924.b3lyp_6-31g(d).log.xz 051218924.mol 051218924.PUBCHEM 051218924.mol (via Jmol)
051218928.b3lyp_6-31g(d).inp

051218928.b3lyp_6-31g(d).qchem.inp (generated)

051218928.b3lyp_6-31g(d).gjf (generated)

051218928.b3lyp_6-31g(d).firefly.inp (generated)

051218928.b3lyp_6-31g(d).smash.inp (generated)

051218928.b3lyp_6-31g(d).nwchem.inp (generated) 051218928.b3lyp_6-31g(d).log.xz 051218928.mol 051218928.PUBCHEM 051218928.mol (via Jmol)
051218952.b3lyp_6-31g(d).inp

051218952.b3lyp_6-31g(d).qchem.inp (generated)

051218952.b3lyp_6-31g(d).gjf (generated)

051218952.b3lyp_6-31g(d).firefly.inp (generated)

051218952.b3lyp_6-31g(d).smash.inp (generated)

051218952.b3lyp_6-31g(d).nwchem.inp (generated) 051218952.b3lyp_6-31g(d).log.xz 051218952.td-b3lyp_6-31g+(d).inp 051218952.td-b3lyp_6-31g+(d).log.xz

051218952.td-b3lyp_6-31+g(d).qchem.inp (generated)

051218952.td-b3lyp_6-31+g(d).gjf (generated)

051218952.td-b3lyp_6-31+g(d).firefly.inp (generated)

051218952.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051218952.mol 051218952.PUBCHEM 051218952.mol (via Jmol)
051219071.b3lyp_6-31g(d).inp

051219071.b3lyp_6-31g(d).qchem.inp (generated)

051219071.b3lyp_6-31g(d).gjf (generated)

051219071.b3lyp_6-31g(d).firefly.inp (generated)

051219071.b3lyp_6-31g(d).smash.inp (generated)

051219071.b3lyp_6-31g(d).nwchem.inp (generated) 051219071.b3lyp_6-31g(d).log.xz 051219071.mol 051219071.PUBCHEM 051219071.mol (via Jmol)
051219143.b3lyp_6-31g(d).inp

051219143.b3lyp_6-31g(d).qchem.inp (generated)

051219143.b3lyp_6-31g(d).gjf (generated)

051219143.b3lyp_6-31g(d).firefly.inp (generated)

051219143.b3lyp_6-31g(d).smash.inp (generated)

051219143.b3lyp_6-31g(d).nwchem.inp (generated) 051219143.b3lyp_6-31g(d).log.xz 051219143.td-b3lyp_6-31g+(d).inp 051219143.td-b3lyp_6-31g+(d).log.xz

051219143.td-b3lyp_6-31+g(d).qchem.inp (generated)

051219143.td-b3lyp_6-31+g(d).gjf (generated)

051219143.td-b3lyp_6-31+g(d).firefly.inp (generated)

051219143.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051219143.mol 051219143.PUBCHEM 051219143.mol (via Jmol)
051219177.b3lyp_6-31g(d).inp

051219177.b3lyp_6-31g(d).qchem.inp (generated)

051219177.b3lyp_6-31g(d).gjf (generated)

051219177.b3lyp_6-31g(d).firefly.inp (generated)

051219177.b3lyp_6-31g(d).smash.inp (generated)

051219177.b3lyp_6-31g(d).nwchem.inp (generated) 051219177.b3lyp_6-31g(d).log.xz 051219177.td-b3lyp_6-31g+(d).inp 051219177.td-b3lyp_6-31g+(d).log.xz

051219177.td-b3lyp_6-31+g(d).qchem.inp (generated)

051219177.td-b3lyp_6-31+g(d).gjf (generated)

051219177.td-b3lyp_6-31+g(d).firefly.inp (generated)

051219177.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051219177.mol 051219177.PUBCHEM 051219177.mol (via Jmol)
051219191.b3lyp_6-31g(d).inp

051219191.b3lyp_6-31g(d).qchem.inp (generated)

051219191.b3lyp_6-31g(d).gjf (generated)

051219191.b3lyp_6-31g(d).firefly.inp (generated)

051219191.b3lyp_6-31g(d).smash.inp (generated)

051219191.b3lyp_6-31g(d).nwchem.inp (generated) 051219191.b3lyp_6-31g(d).log.xz 051219191.td-b3lyp_6-31g+(d).inp 051219191.td-b3lyp_6-31g+(d).log.xz

051219191.td-b3lyp_6-31+g(d).qchem.inp (generated)

051219191.td-b3lyp_6-31+g(d).gjf (generated)

051219191.td-b3lyp_6-31+g(d).firefly.inp (generated)

051219191.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051219191.mol 051219191.PUBCHEM 051219191.mol (via Jmol)
051219192.b3lyp_6-31g(d).inp

051219192.b3lyp_6-31g(d).qchem.inp (generated)

051219192.b3lyp_6-31g(d).gjf (generated)

051219192.b3lyp_6-31g(d).firefly.inp (generated)

051219192.b3lyp_6-31g(d).smash.inp (generated)

051219192.b3lyp_6-31g(d).nwchem.inp (generated) 051219192.b3lyp_6-31g(d).log.xz 051219192.mol 051219192.PUBCHEM 051219192.mol (via Jmol)
051219194.b3lyp_6-31g(d).inp

051219194.b3lyp_6-31g(d).qchem.inp (generated)

051219194.b3lyp_6-31g(d).gjf (generated)

051219194.b3lyp_6-31g(d).firefly.inp (generated)

051219194.b3lyp_6-31g(d).smash.inp (generated)

051219194.b3lyp_6-31g(d).nwchem.inp (generated) 051219194.b3lyp_6-31g(d).log.xz 051219194.td-b3lyp_6-31g+(d).inp 051219194.td-b3lyp_6-31g+(d).log.xz

051219194.td-b3lyp_6-31+g(d).qchem.inp (generated)

051219194.td-b3lyp_6-31+g(d).gjf (generated)

051219194.td-b3lyp_6-31+g(d).firefly.inp (generated)

051219194.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051219194.mol 051219194.PUBCHEM 051219194.mol (via Jmol)
051219688.b3lyp_6-31g(d).inp

051219688.b3lyp_6-31g(d).qchem.inp (generated)

051219688.b3lyp_6-31g(d).gjf (generated)

051219688.b3lyp_6-31g(d).firefly.inp (generated)

051219688.b3lyp_6-31g(d).smash.inp (generated)

051219688.b3lyp_6-31g(d).nwchem.inp (generated) 051219688.b3lyp_6-31g(d).log.xz 051219688.td-b3lyp_6-31g+(d).inp 051219688.td-b3lyp_6-31g+(d).log.xz

051219688.td-b3lyp_6-31+g(d).qchem.inp (generated)

051219688.td-b3lyp_6-31+g(d).gjf (generated)

051219688.td-b3lyp_6-31+g(d).firefly.inp (generated)

051219688.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051219688.mol 051219688.PUBCHEM 051219688.mol (via Jmol)
051219689.b3lyp_6-31g(d).inp

051219689.b3lyp_6-31g(d).qchem.inp (generated)

051219689.b3lyp_6-31g(d).gjf (generated)

051219689.b3lyp_6-31g(d).firefly.inp (generated)

051219689.b3lyp_6-31g(d).smash.inp (generated)

051219689.b3lyp_6-31g(d).nwchem.inp (generated) 051219689.b3lyp_6-31g(d).log.xz 051219689.td-b3lyp_6-31g+(d).inp 051219689.td-b3lyp_6-31g+(d).log.xz

051219689.td-b3lyp_6-31+g(d).qchem.inp (generated)

051219689.td-b3lyp_6-31+g(d).gjf (generated)

051219689.td-b3lyp_6-31+g(d).firefly.inp (generated)

051219689.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051219689.mol 051219689.PUBCHEM 051219689.mol (via Jmol)
051220056.b3lyp_6-31g(d).inp

051220056.b3lyp_6-31g(d).qchem.inp (generated)

051220056.b3lyp_6-31g(d).gjf (generated)

051220056.b3lyp_6-31g(d).firefly.inp (generated)

051220056.b3lyp_6-31g(d).smash.inp (generated)

051220056.b3lyp_6-31g(d).nwchem.inp (generated) 051220056.b3lyp_6-31g(d).log.xz 051220056.td-b3lyp_6-31g+(d).inp 051220056.td-b3lyp_6-31g+(d).log.xz

051220056.td-b3lyp_6-31+g(d).qchem.inp (generated)

051220056.td-b3lyp_6-31+g(d).gjf (generated)

051220056.td-b3lyp_6-31+g(d).firefly.inp (generated)

051220056.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051220056.mol 051220056.PUBCHEM 051220056.mol (via Jmol)
051220147.b3lyp_6-31g(d).inp

051220147.b3lyp_6-31g(d).qchem.inp (generated)

051220147.b3lyp_6-31g(d).gjf (generated)

051220147.b3lyp_6-31g(d).firefly.inp (generated)

051220147.b3lyp_6-31g(d).smash.inp (generated)

051220147.b3lyp_6-31g(d).nwchem.inp (generated) 051220147.b3lyp_6-31g(d).log.xz 051220147.td-b3lyp_6-31g+(d).inp 051220147.td-b3lyp_6-31g+(d).log.xz

051220147.td-b3lyp_6-31+g(d).qchem.inp (generated)

051220147.td-b3lyp_6-31+g(d).gjf (generated)

051220147.td-b3lyp_6-31+g(d).firefly.inp (generated)

051220147.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051220147.mol 051220147.PUBCHEM 051220147.mol (via Jmol)
051220302.b3lyp_6-31g(d).inp

051220302.b3lyp_6-31g(d).qchem.inp (generated)

051220302.b3lyp_6-31g(d).gjf (generated)

051220302.b3lyp_6-31g(d).firefly.inp (generated)

051220302.b3lyp_6-31g(d).smash.inp (generated)

051220302.b3lyp_6-31g(d).nwchem.inp (generated) 051220302.b3lyp_6-31g(d).log.xz 051220302.td-b3lyp_6-31g+(d).inp 051220302.td-b3lyp_6-31g+(d).log.xz

051220302.td-b3lyp_6-31+g(d).qchem.inp (generated)

051220302.td-b3lyp_6-31+g(d).gjf (generated)

051220302.td-b3lyp_6-31+g(d).firefly.inp (generated)

051220302.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051220302.mol 051220302.PUBCHEM 051220302.mol (via Jmol)
051220303.b3lyp_6-31g(d).inp

051220303.b3lyp_6-31g(d).qchem.inp (generated)

051220303.b3lyp_6-31g(d).gjf (generated)

051220303.b3lyp_6-31g(d).firefly.inp (generated)

051220303.b3lyp_6-31g(d).smash.inp (generated)

051220303.b3lyp_6-31g(d).nwchem.inp (generated) 051220303.b3lyp_6-31g(d).log.xz 051220303.mol 051220303.PUBCHEM 051220303.mol (via Jmol)
051220311.b3lyp_6-31g(d).inp

051220311.b3lyp_6-31g(d).qchem.inp (generated)

051220311.b3lyp_6-31g(d).gjf (generated)

051220311.b3lyp_6-31g(d).firefly.inp (generated)

051220311.b3lyp_6-31g(d).smash.inp (generated)

051220311.b3lyp_6-31g(d).nwchem.inp (generated) 051220311.b3lyp_6-31g(d).log.xz 051220311.mol 051220311.PUBCHEM 051220311.mol (via Jmol)
051220334.b3lyp_6-31g(d).inp

051220334.b3lyp_6-31g(d).qchem.inp (generated)

051220334.b3lyp_6-31g(d).gjf (generated)

051220334.b3lyp_6-31g(d).firefly.inp (generated)

051220334.b3lyp_6-31g(d).smash.inp (generated)

051220334.b3lyp_6-31g(d).nwchem.inp (generated) 051220334.b3lyp_6-31g(d).log.xz 051220334.td-b3lyp_6-31g+(d).inp 051220334.td-b3lyp_6-31g+(d).log.xz

051220334.td-b3lyp_6-31+g(d).qchem.inp (generated)

051220334.td-b3lyp_6-31+g(d).gjf (generated)

051220334.td-b3lyp_6-31+g(d).firefly.inp (generated)

051220334.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051220334.mol 051220334.PUBCHEM 051220334.mol (via Jmol)
051220463.b3lyp_6-31g(d).inp

051220463.b3lyp_6-31g(d).qchem.inp (generated)

051220463.b3lyp_6-31g(d).gjf (generated)

051220463.b3lyp_6-31g(d).firefly.inp (generated)

051220463.b3lyp_6-31g(d).smash.inp (generated)

051220463.b3lyp_6-31g(d).nwchem.inp (generated) 051220463.b3lyp_6-31g(d).log.xz 051220463.mol 051220463.PUBCHEM 051220463.mol (via Jmol)
051220466.b3lyp_6-31g(d).inp

051220466.b3lyp_6-31g(d).qchem.inp (generated)

051220466.b3lyp_6-31g(d).gjf (generated)

051220466.b3lyp_6-31g(d).firefly.inp (generated)

051220466.b3lyp_6-31g(d).smash.inp (generated)

051220466.b3lyp_6-31g(d).nwchem.inp (generated) 051220466.b3lyp_6-31g(d).log.xz 051220466.td-b3lyp_6-31g+(d).inp 051220466.td-b3lyp_6-31g+(d).log.xz

051220466.td-b3lyp_6-31+g(d).qchem.inp (generated)

051220466.td-b3lyp_6-31+g(d).gjf (generated)

051220466.td-b3lyp_6-31+g(d).firefly.inp (generated)

051220466.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051220466.mol 051220466.PUBCHEM 051220466.mol (via Jmol)
051220494.b3lyp_6-31g(d).inp

051220494.b3lyp_6-31g(d).qchem.inp (generated)

051220494.b3lyp_6-31g(d).gjf (generated)

051220494.b3lyp_6-31g(d).firefly.inp (generated)

051220494.b3lyp_6-31g(d).smash.inp (generated)

051220494.b3lyp_6-31g(d).nwchem.inp (generated) 051220494.b3lyp_6-31g(d).log.xz 051220494.td-b3lyp_6-31g+(d).inp 051220494.td-b3lyp_6-31g+(d).log.xz

051220494.td-b3lyp_6-31+g(d).qchem.inp (generated)

051220494.td-b3lyp_6-31+g(d).gjf (generated)

051220494.td-b3lyp_6-31+g(d).firefly.inp (generated)

051220494.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051220494.mol 051220494.PUBCHEM 051220494.mol (via Jmol)
051220512.b3lyp_6-31g(d).inp

051220512.b3lyp_6-31g(d).qchem.inp (generated)

051220512.b3lyp_6-31g(d).gjf (generated)

051220512.b3lyp_6-31g(d).firefly.inp (generated)

051220512.b3lyp_6-31g(d).smash.inp (generated)

051220512.b3lyp_6-31g(d).nwchem.inp (generated) 051220512.b3lyp_6-31g(d).log.xz 051220512.mol 051220512.PUBCHEM 051220512.mol (via Jmol)
051220545.b3lyp_6-31g(d).inp

051220545.b3lyp_6-31g(d).qchem.inp (generated)

051220545.b3lyp_6-31g(d).gjf (generated)

051220545.b3lyp_6-31g(d).firefly.inp (generated)

051220545.b3lyp_6-31g(d).smash.inp (generated)

051220545.b3lyp_6-31g(d).nwchem.inp (generated) 051220545.b3lyp_6-31g(d).log.xz 051220545.mol 051220545.PUBCHEM 051220545.mol (via Jmol)
051221411.b3lyp_6-31g(d).inp

051221411.b3lyp_6-31g(d).qchem.inp (generated)

051221411.b3lyp_6-31g(d).gjf (generated)

051221411.b3lyp_6-31g(d).firefly.inp (generated)

051221411.b3lyp_6-31g(d).smash.inp (generated)

051221411.b3lyp_6-31g(d).nwchem.inp (generated) 051221411.b3lyp_6-31g(d).log.xz 051221411.mol 051221411.PUBCHEM 051221411.mol (via Jmol)
051221645.b3lyp_6-31g(d).inp

051221645.b3lyp_6-31g(d).qchem.inp (generated)

051221645.b3lyp_6-31g(d).gjf (generated)

051221645.b3lyp_6-31g(d).firefly.inp (generated)

051221645.b3lyp_6-31g(d).smash.inp (generated)

051221645.b3lyp_6-31g(d).nwchem.inp (generated) 051221645.b3lyp_6-31g(d).log.xz 051221645.td-b3lyp_6-31g+(d).inp 051221645.td-b3lyp_6-31g+(d).log.xz

051221645.td-b3lyp_6-31+g(d).qchem.inp (generated)

051221645.td-b3lyp_6-31+g(d).gjf (generated)

051221645.td-b3lyp_6-31+g(d).firefly.inp (generated)

051221645.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051221645.mol 051221645.PUBCHEM 051221645.mol (via Jmol)
051221646.b3lyp_6-31g(d).inp

051221646.b3lyp_6-31g(d).qchem.inp (generated)

051221646.b3lyp_6-31g(d).gjf (generated)

051221646.b3lyp_6-31g(d).firefly.inp (generated)

051221646.b3lyp_6-31g(d).smash.inp (generated)

051221646.b3lyp_6-31g(d).nwchem.inp (generated) 051221646.b3lyp_6-31g(d).log.xz 051221646.td-b3lyp_6-31g+(d).inp 051221646.td-b3lyp_6-31g+(d).log.xz

051221646.td-b3lyp_6-31+g(d).qchem.inp (generated)

051221646.td-b3lyp_6-31+g(d).gjf (generated)

051221646.td-b3lyp_6-31+g(d).firefly.inp (generated)

051221646.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051221646.mol 051221646.PUBCHEM 051221646.mol (via Jmol)
051221653.b3lyp_6-31g(d).inp

051221653.b3lyp_6-31g(d).qchem.inp (generated)

051221653.b3lyp_6-31g(d).gjf (generated)

051221653.b3lyp_6-31g(d).firefly.inp (generated)

051221653.b3lyp_6-31g(d).smash.inp (generated)

051221653.b3lyp_6-31g(d).nwchem.inp (generated) 051221653.b3lyp_6-31g(d).log.xz 051221653.td-b3lyp_6-31g+(d).inp 051221653.td-b3lyp_6-31g+(d).log.xz

051221653.td-b3lyp_6-31+g(d).qchem.inp (generated)

051221653.td-b3lyp_6-31+g(d).gjf (generated)

051221653.td-b3lyp_6-31+g(d).firefly.inp (generated)

051221653.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051221653.mol 051221653.PUBCHEM 051221653.mol (via Jmol)
051221735.b3lyp_6-31g(d).inp

051221735.b3lyp_6-31g(d).qchem.inp (generated)

051221735.b3lyp_6-31g(d).gjf (generated)

051221735.b3lyp_6-31g(d).firefly.inp (generated)

051221735.b3lyp_6-31g(d).smash.inp (generated)

051221735.b3lyp_6-31g(d).nwchem.inp (generated) 051221735.b3lyp_6-31g(d).log.xz 051221735.td-b3lyp_6-31g+(d).inp 051221735.td-b3lyp_6-31g+(d).log.xz

051221735.td-b3lyp_6-31+g(d).qchem.inp (generated)

051221735.td-b3lyp_6-31+g(d).gjf (generated)

051221735.td-b3lyp_6-31+g(d).firefly.inp (generated)

051221735.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051221735.mol 051221735.PUBCHEM 051221735.mol (via Jmol)
051221762.b3lyp_6-31g(d).inp

051221762.b3lyp_6-31g(d).qchem.inp (generated)

051221762.b3lyp_6-31g(d).gjf (generated)

051221762.b3lyp_6-31g(d).firefly.inp (generated)

051221762.b3lyp_6-31g(d).smash.inp (generated)

051221762.b3lyp_6-31g(d).nwchem.inp (generated) 051221762.b3lyp_6-31g(d).log.xz 051221762.td-b3lyp_6-31g+(d).inp 051221762.td-b3lyp_6-31g+(d).log.xz

051221762.td-b3lyp_6-31+g(d).qchem.inp (generated)

051221762.td-b3lyp_6-31+g(d).gjf (generated)

051221762.td-b3lyp_6-31+g(d).firefly.inp (generated)

051221762.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051221762.mol 051221762.PUBCHEM 051221762.mol (via Jmol)
051221778.b3lyp_6-31g(d).inp

051221778.b3lyp_6-31g(d).qchem.inp (generated)

051221778.b3lyp_6-31g(d).gjf (generated)

051221778.b3lyp_6-31g(d).firefly.inp (generated)

051221778.b3lyp_6-31g(d).smash.inp (generated)

051221778.b3lyp_6-31g(d).nwchem.inp (generated) 051221778.b3lyp_6-31g(d).log.xz 051221778.td-b3lyp_6-31g+(d).inp 051221778.td-b3lyp_6-31g+(d).log.xz

051221778.td-b3lyp_6-31+g(d).qchem.inp (generated)

051221778.td-b3lyp_6-31+g(d).gjf (generated)

051221778.td-b3lyp_6-31+g(d).firefly.inp (generated)

051221778.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051221778.mol 051221778.PUBCHEM 051221778.mol (via Jmol)
051221847.b3lyp_6-31g(d).inp

051221847.b3lyp_6-31g(d).qchem.inp (generated)

051221847.b3lyp_6-31g(d).gjf (generated)

051221847.b3lyp_6-31g(d).firefly.inp (generated)

051221847.b3lyp_6-31g(d).smash.inp (generated)

051221847.b3lyp_6-31g(d).nwchem.inp (generated) 051221847.b3lyp_6-31g(d).log.xz 051221847.td-b3lyp_6-31g+(d).inp 051221847.td-b3lyp_6-31g+(d).log.xz

051221847.td-b3lyp_6-31+g(d).qchem.inp (generated)

051221847.td-b3lyp_6-31+g(d).gjf (generated)

051221847.td-b3lyp_6-31+g(d).firefly.inp (generated)

051221847.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051221847.mol 051221847.PUBCHEM 051221847.mol (via Jmol)
051222191.b3lyp_6-31g(d).inp

051222191.b3lyp_6-31g(d).qchem.inp (generated)

051222191.b3lyp_6-31g(d).gjf (generated)

051222191.b3lyp_6-31g(d).firefly.inp (generated)

051222191.b3lyp_6-31g(d).smash.inp (generated)

051222191.b3lyp_6-31g(d).nwchem.inp (generated) 051222191.b3lyp_6-31g(d).log.xz 051222191.td-b3lyp_6-31g+(d).inp 051222191.td-b3lyp_6-31g+(d).log.xz

051222191.td-b3lyp_6-31+g(d).qchem.inp (generated)

051222191.td-b3lyp_6-31+g(d).gjf (generated)

051222191.td-b3lyp_6-31+g(d).firefly.inp (generated)

051222191.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051222191.mol 051222191.PUBCHEM 051222191.mol (via Jmol)
051222253.b3lyp_6-31g(d).inp

051222253.b3lyp_6-31g(d).qchem.inp (generated)

051222253.b3lyp_6-31g(d).gjf (generated)

051222253.b3lyp_6-31g(d).firefly.inp (generated)

051222253.b3lyp_6-31g(d).smash.inp (generated)

051222253.b3lyp_6-31g(d).nwchem.inp (generated) 051222253.b3lyp_6-31g(d).log.xz 051222253.td-b3lyp_6-31g+(d).inp 051222253.td-b3lyp_6-31g+(d).log.xz

051222253.td-b3lyp_6-31+g(d).qchem.inp (generated)

051222253.td-b3lyp_6-31+g(d).gjf (generated)

051222253.td-b3lyp_6-31+g(d).firefly.inp (generated)

051222253.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051222253.mol 051222253.PUBCHEM 051222253.mol (via Jmol)
051222813.b3lyp_6-31g(d).inp

051222813.b3lyp_6-31g(d).qchem.inp (generated)

051222813.b3lyp_6-31g(d).gjf (generated)

051222813.b3lyp_6-31g(d).firefly.inp (generated)

051222813.b3lyp_6-31g(d).smash.inp (generated)

051222813.b3lyp_6-31g(d).nwchem.inp (generated) 051222813.b3lyp_6-31g(d).log.xz 051222813.td-b3lyp_6-31g+(d).inp 051222813.td-b3lyp_6-31g+(d).log.xz

051222813.td-b3lyp_6-31+g(d).qchem.inp (generated)

051222813.td-b3lyp_6-31+g(d).gjf (generated)

051222813.td-b3lyp_6-31+g(d).firefly.inp (generated)

051222813.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051222813.mol 051222813.PUBCHEM 051222813.mol (via Jmol)
051223155.b3lyp_6-31g(d).inp

051223155.b3lyp_6-31g(d).qchem.inp (generated)

051223155.b3lyp_6-31g(d).gjf (generated)

051223155.b3lyp_6-31g(d).firefly.inp (generated)

051223155.b3lyp_6-31g(d).smash.inp (generated)

051223155.b3lyp_6-31g(d).nwchem.inp (generated) 051223155.b3lyp_6-31g(d).log.xz 051223155.td-b3lyp_6-31g+(d).inp 051223155.td-b3lyp_6-31g+(d).log.xz

051223155.td-b3lyp_6-31+g(d).qchem.inp (generated)

051223155.td-b3lyp_6-31+g(d).gjf (generated)

051223155.td-b3lyp_6-31+g(d).firefly.inp (generated)

051223155.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051223155.mol 051223155.PUBCHEM 051223155.mol (via Jmol)
051223629.b3lyp_6-31g(d).inp

051223629.b3lyp_6-31g(d).qchem.inp (generated)

051223629.b3lyp_6-31g(d).gjf (generated)

051223629.b3lyp_6-31g(d).firefly.inp (generated)

051223629.b3lyp_6-31g(d).smash.inp (generated)

051223629.b3lyp_6-31g(d).nwchem.inp (generated) 051223629.b3lyp_6-31g(d).log.xz 051223629.td-b3lyp_6-31g+(d).inp 051223629.td-b3lyp_6-31g+(d).log.xz

051223629.td-b3lyp_6-31+g(d).qchem.inp (generated)

051223629.td-b3lyp_6-31+g(d).gjf (generated)

051223629.td-b3lyp_6-31+g(d).firefly.inp (generated)

051223629.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051223629.mol 051223629.PUBCHEM 051223629.mol (via Jmol)
051223863.b3lyp_6-31g(d).inp

051223863.b3lyp_6-31g(d).qchem.inp (generated)

051223863.b3lyp_6-31g(d).gjf (generated)

051223863.b3lyp_6-31g(d).firefly.inp (generated)

051223863.b3lyp_6-31g(d).smash.inp (generated)

051223863.b3lyp_6-31g(d).nwchem.inp (generated) 051223863.b3lyp_6-31g(d).log.xz 051223863.td-b3lyp_6-31g+(d).inp 051223863.td-b3lyp_6-31g+(d).log.xz

051223863.td-b3lyp_6-31+g(d).qchem.inp (generated)

051223863.td-b3lyp_6-31+g(d).gjf (generated)

051223863.td-b3lyp_6-31+g(d).firefly.inp (generated)

051223863.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051223863.mol 051223863.PUBCHEM 051223863.mol (via Jmol)
051223917.b3lyp_6-31g(d).inp

051223917.b3lyp_6-31g(d).qchem.inp (generated)

051223917.b3lyp_6-31g(d).gjf (generated)

051223917.b3lyp_6-31g(d).firefly.inp (generated)

051223917.b3lyp_6-31g(d).smash.inp (generated)

051223917.b3lyp_6-31g(d).nwchem.inp (generated) 051223917.b3lyp_6-31g(d).log.xz 051223917.td-b3lyp_6-31g+(d).inp 051223917.td-b3lyp_6-31g+(d).log.xz

051223917.td-b3lyp_6-31+g(d).qchem.inp (generated)

051223917.td-b3lyp_6-31+g(d).gjf (generated)

051223917.td-b3lyp_6-31+g(d).firefly.inp (generated)

051223917.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051223917.mol 051223917.PUBCHEM 051223917.mol (via Jmol)
051223938.b3lyp_6-31g(d).inp

051223938.b3lyp_6-31g(d).qchem.inp (generated)

051223938.b3lyp_6-31g(d).gjf (generated)

051223938.b3lyp_6-31g(d).firefly.inp (generated)

051223938.b3lyp_6-31g(d).smash.inp (generated)

051223938.b3lyp_6-31g(d).nwchem.inp (generated) 051223938.b3lyp_6-31g(d).log.xz 051223938.td-b3lyp_6-31g+(d).inp 051223938.td-b3lyp_6-31g+(d).log.xz

051223938.td-b3lyp_6-31+g(d).qchem.inp (generated)

051223938.td-b3lyp_6-31+g(d).gjf (generated)

051223938.td-b3lyp_6-31+g(d).firefly.inp (generated)

051223938.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051223938.mol 051223938.PUBCHEM 051223938.mol (via Jmol)
051223967.b3lyp_6-31g(d).inp

051223967.b3lyp_6-31g(d).qchem.inp (generated)

051223967.b3lyp_6-31g(d).gjf (generated)

051223967.b3lyp_6-31g(d).firefly.inp (generated)

051223967.b3lyp_6-31g(d).smash.inp (generated)

051223967.b3lyp_6-31g(d).nwchem.inp (generated) 051223967.b3lyp_6-31g(d).log.xz 051223967.td-b3lyp_6-31g+(d).inp 051223967.td-b3lyp_6-31g+(d).log.xz

051223967.td-b3lyp_6-31+g(d).qchem.inp (generated)

051223967.td-b3lyp_6-31+g(d).gjf (generated)

051223967.td-b3lyp_6-31+g(d).firefly.inp (generated)

051223967.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051223967.mol 051223967.PUBCHEM 051223967.mol (via Jmol)
051224020.b3lyp_6-31g(d).inp

051224020.b3lyp_6-31g(d).qchem.inp (generated)

051224020.b3lyp_6-31g(d).gjf (generated)

051224020.b3lyp_6-31g(d).firefly.inp (generated)

051224020.b3lyp_6-31g(d).smash.inp (generated)

051224020.b3lyp_6-31g(d).nwchem.inp (generated) 051224020.b3lyp_6-31g(d).log.xz 051224020.td-b3lyp_6-31g+(d).inp 051224020.td-b3lyp_6-31g+(d).log.xz

051224020.td-b3lyp_6-31+g(d).qchem.inp (generated)

051224020.td-b3lyp_6-31+g(d).gjf (generated)

051224020.td-b3lyp_6-31+g(d).firefly.inp (generated)

051224020.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051224020.mol 051224020.PUBCHEM 051224020.mol (via Jmol)
051224023.b3lyp_6-31g(d).inp

051224023.b3lyp_6-31g(d).qchem.inp (generated)

051224023.b3lyp_6-31g(d).gjf (generated)

051224023.b3lyp_6-31g(d).firefly.inp (generated)

051224023.b3lyp_6-31g(d).smash.inp (generated)

051224023.b3lyp_6-31g(d).nwchem.inp (generated) 051224023.b3lyp_6-31g(d).log.xz 051224023.td-b3lyp_6-31g+(d).inp 051224023.td-b3lyp_6-31g+(d).log.xz

051224023.td-b3lyp_6-31+g(d).qchem.inp (generated)

051224023.td-b3lyp_6-31+g(d).gjf (generated)

051224023.td-b3lyp_6-31+g(d).firefly.inp (generated)

051224023.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051224023.mol 051224023.PUBCHEM 051224023.mol (via Jmol)
051224026.b3lyp_6-31g(d).inp

051224026.b3lyp_6-31g(d).qchem.inp (generated)

051224026.b3lyp_6-31g(d).gjf (generated)

051224026.b3lyp_6-31g(d).firefly.inp (generated)

051224026.b3lyp_6-31g(d).smash.inp (generated)

051224026.b3lyp_6-31g(d).nwchem.inp (generated) 051224026.b3lyp_6-31g(d).log.xz 051224026.td-b3lyp_6-31g+(d).inp 051224026.td-b3lyp_6-31g+(d).log.xz

051224026.td-b3lyp_6-31+g(d).qchem.inp (generated)

051224026.td-b3lyp_6-31+g(d).gjf (generated)

051224026.td-b3lyp_6-31+g(d).firefly.inp (generated)

051224026.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051224026.mol 051224026.PUBCHEM 051224026.mol (via Jmol)
051224218.b3lyp_6-31g(d).inp

051224218.b3lyp_6-31g(d).qchem.inp (generated)

051224218.b3lyp_6-31g(d).gjf (generated)

051224218.b3lyp_6-31g(d).firefly.inp (generated)

051224218.b3lyp_6-31g(d).smash.inp (generated)

051224218.b3lyp_6-31g(d).nwchem.inp (generated) 051224218.b3lyp_6-31g(d).log.xz 051224218.mol 051224218.PUBCHEM 051224218.mol (via Jmol)
051224286.b3lyp_6-31g(d).inp

051224286.b3lyp_6-31g(d).qchem.inp (generated)

051224286.b3lyp_6-31g(d).gjf (generated)

051224286.b3lyp_6-31g(d).firefly.inp (generated)

051224286.b3lyp_6-31g(d).smash.inp (generated)

051224286.b3lyp_6-31g(d).nwchem.inp (generated) 051224286.b3lyp_6-31g(d).log.xz 051224286.td-b3lyp_6-31g+(d).inp 051224286.td-b3lyp_6-31g+(d).log.xz

051224286.td-b3lyp_6-31+g(d).qchem.inp (generated)

051224286.td-b3lyp_6-31+g(d).gjf (generated)

051224286.td-b3lyp_6-31+g(d).firefly.inp (generated)

051224286.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051224286.mol 051224286.PUBCHEM 051224286.mol (via Jmol)
051224411.b3lyp_6-31g(d).inp

051224411.b3lyp_6-31g(d).qchem.inp (generated)

051224411.b3lyp_6-31g(d).gjf (generated)

051224411.b3lyp_6-31g(d).firefly.inp (generated)

051224411.b3lyp_6-31g(d).smash.inp (generated)

051224411.b3lyp_6-31g(d).nwchem.inp (generated) 051224411.b3lyp_6-31g(d).log.xz 051224411.td-b3lyp_6-31g+(d).inp 051224411.td-b3lyp_6-31g+(d).log.xz

051224411.td-b3lyp_6-31+g(d).qchem.inp (generated)

051224411.td-b3lyp_6-31+g(d).gjf (generated)

051224411.td-b3lyp_6-31+g(d).firefly.inp (generated)

051224411.td-b3lyp_6-31+g(d).nwchem.inp (generated) 051224411.mol 051224411.PUBCHEM 051224411.mol (via Jmol)


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