Index of

Last updated : Thu Apr 27 02:27:22 JST 2017
Total : 276 (227) in this page
045125098.b3lyp_6-31g(d).inp

045125098.b3lyp_6-31g(d).qchem.inp (generated)

045125098.b3lyp_6-31g(d).gjf (generated)

045125098.b3lyp_6-31g(d).firefly.inp (generated)

045125098.b3lyp_6-31g(d).smash.inp (generated)

045125098.b3lyp_6-31g(d).nwchem.inp (generated) 045125098.b3lyp_6-31g(d).log.xz 045125098.td-b3lyp_6-31g+(d).inp 045125098.td-b3lyp_6-31g+(d).log.xz

045125098.td-b3lyp_6-31+g(d).qchem.inp (generated)

045125098.td-b3lyp_6-31+g(d).gjf (generated)

045125098.td-b3lyp_6-31+g(d).firefly.inp (generated)

045125098.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045125098.mol 045125098.PUBCHEM 045125098.mol (via Jmol)
045125693.b3lyp_6-31g(d).inp

045125693.b3lyp_6-31g(d).qchem.inp (generated)

045125693.b3lyp_6-31g(d).gjf (generated)

045125693.b3lyp_6-31g(d).firefly.inp (generated)

045125693.b3lyp_6-31g(d).smash.inp (generated)

045125693.b3lyp_6-31g(d).nwchem.inp (generated) 045125693.b3lyp_6-31g(d).log.xz 045125693.td-b3lyp_6-31g+(d).inp 045125693.td-b3lyp_6-31g+(d).log.xz

045125693.td-b3lyp_6-31+g(d).qchem.inp (generated)

045125693.td-b3lyp_6-31+g(d).gjf (generated)

045125693.td-b3lyp_6-31+g(d).firefly.inp (generated)

045125693.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045125693.mol 045125693.PUBCHEM 045125693.mol (via Jmol)
045125769.b3lyp_6-31g(d).inp

045125769.b3lyp_6-31g(d).qchem.inp (generated)

045125769.b3lyp_6-31g(d).gjf (generated)

045125769.b3lyp_6-31g(d).firefly.inp (generated)

045125769.b3lyp_6-31g(d).smash.inp (generated)

045125769.b3lyp_6-31g(d).nwchem.inp (generated) 045125769.b3lyp_6-31g(d).log.xz 045125769.td-b3lyp_6-31g+(d).inp 045125769.td-b3lyp_6-31g+(d).log.xz

045125769.td-b3lyp_6-31+g(d).qchem.inp (generated)

045125769.td-b3lyp_6-31+g(d).gjf (generated)

045125769.td-b3lyp_6-31+g(d).firefly.inp (generated)

045125769.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045125769.mol 045125769.PUBCHEM 045125769.mol (via Jmol)
045125798.b3lyp_6-31g(d).inp

045125798.b3lyp_6-31g(d).qchem.inp (generated)

045125798.b3lyp_6-31g(d).gjf (generated)

045125798.b3lyp_6-31g(d).firefly.inp (generated)

045125798.b3lyp_6-31g(d).smash.inp (generated)

045125798.b3lyp_6-31g(d).nwchem.inp (generated) 045125798.b3lyp_6-31g(d).log.xz 045125798.td-b3lyp_6-31g+(d).inp 045125798.td-b3lyp_6-31g+(d).log.xz

045125798.td-b3lyp_6-31+g(d).qchem.inp (generated)

045125798.td-b3lyp_6-31+g(d).gjf (generated)

045125798.td-b3lyp_6-31+g(d).firefly.inp (generated)

045125798.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045125798.mol 045125798.PUBCHEM 045125798.mol (via Jmol)
045125845.b3lyp_6-31g(d).inp

045125845.b3lyp_6-31g(d).qchem.inp (generated)

045125845.b3lyp_6-31g(d).gjf (generated)

045125845.b3lyp_6-31g(d).firefly.inp (generated)

045125845.b3lyp_6-31g(d).smash.inp (generated)

045125845.b3lyp_6-31g(d).nwchem.inp (generated) 045125845.b3lyp_6-31g(d).log.xz 045125845.td-b3lyp_6-31g+(d).inp 045125845.td-b3lyp_6-31g+(d).log.xz

045125845.td-b3lyp_6-31+g(d).qchem.inp (generated)

045125845.td-b3lyp_6-31+g(d).gjf (generated)

045125845.td-b3lyp_6-31+g(d).firefly.inp (generated)

045125845.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045125845.mol 045125845.PUBCHEM 045125845.mol (via Jmol)
045126332.b3lyp_6-31g(d).inp

045126332.b3lyp_6-31g(d).qchem.inp (generated)

045126332.b3lyp_6-31g(d).gjf (generated)

045126332.b3lyp_6-31g(d).firefly.inp (generated)

045126332.b3lyp_6-31g(d).smash.inp (generated)

045126332.b3lyp_6-31g(d).nwchem.inp (generated) 045126332.b3lyp_6-31g(d).log.xz 045126332.mol 045126332.PUBCHEM 045126332.mol (via Jmol)
045126560.b3lyp_6-31g(d).inp

045126560.b3lyp_6-31g(d).qchem.inp (generated)

045126560.b3lyp_6-31g(d).gjf (generated)

045126560.b3lyp_6-31g(d).firefly.inp (generated)

045126560.b3lyp_6-31g(d).smash.inp (generated)

045126560.b3lyp_6-31g(d).nwchem.inp (generated) 045126560.b3lyp_6-31g(d).log.xz 045126560.td-b3lyp_6-31g+(d).inp 045126560.td-b3lyp_6-31g+(d).log.xz

045126560.td-b3lyp_6-31+g(d).qchem.inp (generated)

045126560.td-b3lyp_6-31+g(d).gjf (generated)

045126560.td-b3lyp_6-31+g(d).firefly.inp (generated)

045126560.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045126560.mol 045126560.PUBCHEM 045126560.mol (via Jmol)
045126589.b3lyp_6-31g(d).inp

045126589.b3lyp_6-31g(d).qchem.inp (generated)

045126589.b3lyp_6-31g(d).gjf (generated)

045126589.b3lyp_6-31g(d).firefly.inp (generated)

045126589.b3lyp_6-31g(d).smash.inp (generated)

045126589.b3lyp_6-31g(d).nwchem.inp (generated) 045126589.b3lyp_6-31g(d).log.xz 045126589.td-b3lyp_6-31g+(d).inp 045126589.td-b3lyp_6-31g+(d).log.xz

045126589.td-b3lyp_6-31+g(d).qchem.inp (generated)

045126589.td-b3lyp_6-31+g(d).gjf (generated)

045126589.td-b3lyp_6-31+g(d).firefly.inp (generated)

045126589.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045126589.mol 045126589.PUBCHEM 045126589.mol (via Jmol)
045126642.b3lyp_6-31g(d).inp

045126642.b3lyp_6-31g(d).qchem.inp (generated)

045126642.b3lyp_6-31g(d).gjf (generated)

045126642.b3lyp_6-31g(d).firefly.inp (generated)

045126642.b3lyp_6-31g(d).smash.inp (generated)

045126642.b3lyp_6-31g(d).nwchem.inp (generated) 045126642.b3lyp_6-31g(d).log.xz 045126642.td-b3lyp_6-31g+(d).inp 045126642.td-b3lyp_6-31g+(d).log.xz

045126642.td-b3lyp_6-31+g(d).qchem.inp (generated)

045126642.td-b3lyp_6-31+g(d).gjf (generated)

045126642.td-b3lyp_6-31+g(d).firefly.inp (generated)

045126642.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045126642.mol 045126642.PUBCHEM 045126642.mol (via Jmol)
045126895.b3lyp_6-31g(d).inp

045126895.b3lyp_6-31g(d).qchem.inp (generated)

045126895.b3lyp_6-31g(d).gjf (generated)

045126895.b3lyp_6-31g(d).firefly.inp (generated)

045126895.b3lyp_6-31g(d).smash.inp (generated)

045126895.b3lyp_6-31g(d).nwchem.inp (generated) 045126895.b3lyp_6-31g(d).log.xz 045126895.td-b3lyp_6-31g+(d).inp 045126895.td-b3lyp_6-31g+(d).log.xz

045126895.td-b3lyp_6-31+g(d).qchem.inp (generated)

045126895.td-b3lyp_6-31+g(d).gjf (generated)

045126895.td-b3lyp_6-31+g(d).firefly.inp (generated)

045126895.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045126895.mol 045126895.PUBCHEM 045126895.mol (via Jmol)
045126968.b3lyp_6-31g(d).inp

045126968.b3lyp_6-31g(d).qchem.inp (generated)

045126968.b3lyp_6-31g(d).gjf (generated)

045126968.b3lyp_6-31g(d).firefly.inp (generated)

045126968.b3lyp_6-31g(d).smash.inp (generated)

045126968.b3lyp_6-31g(d).nwchem.inp (generated) 045126968.b3lyp_6-31g(d).log.xz 045126968.td-b3lyp_6-31g+(d).inp 045126968.td-b3lyp_6-31g+(d).log.xz

045126968.td-b3lyp_6-31+g(d).qchem.inp (generated)

045126968.td-b3lyp_6-31+g(d).gjf (generated)

045126968.td-b3lyp_6-31+g(d).firefly.inp (generated)

045126968.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045126968.mol 045126968.PUBCHEM 045126968.mol (via Jmol)
045127280.b3lyp_6-31g(d).inp

045127280.b3lyp_6-31g(d).qchem.inp (generated)

045127280.b3lyp_6-31g(d).gjf (generated)

045127280.b3lyp_6-31g(d).firefly.inp (generated)

045127280.b3lyp_6-31g(d).smash.inp (generated)

045127280.b3lyp_6-31g(d).nwchem.inp (generated) 045127280.b3lyp_6-31g(d).log.xz 045127280.td-b3lyp_6-31g+(d).inp 045127280.td-b3lyp_6-31g+(d).log.xz

045127280.td-b3lyp_6-31+g(d).qchem.inp (generated)

045127280.td-b3lyp_6-31+g(d).gjf (generated)

045127280.td-b3lyp_6-31+g(d).firefly.inp (generated)

045127280.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045127280.mol 045127280.PUBCHEM 045127280.mol (via Jmol)
045128009.b3lyp_6-31g(d).inp

045128009.b3lyp_6-31g(d).qchem.inp (generated)

045128009.b3lyp_6-31g(d).gjf (generated)

045128009.b3lyp_6-31g(d).firefly.inp (generated)

045128009.b3lyp_6-31g(d).smash.inp (generated)

045128009.b3lyp_6-31g(d).nwchem.inp (generated) 045128009.b3lyp_6-31g(d).log.xz 045128009.mol 045128009.PUBCHEM 045128009.mol (via Jmol)
045128193.b3lyp_6-31g(d).inp

045128193.b3lyp_6-31g(d).qchem.inp (generated)

045128193.b3lyp_6-31g(d).gjf (generated)

045128193.b3lyp_6-31g(d).firefly.inp (generated)

045128193.b3lyp_6-31g(d).smash.inp (generated)

045128193.b3lyp_6-31g(d).nwchem.inp (generated) 045128193.b3lyp_6-31g(d).log.xz 045128193.td-b3lyp_6-31g+(d).inp 045128193.td-b3lyp_6-31g+(d).log.xz

045128193.td-b3lyp_6-31+g(d).qchem.inp (generated)

045128193.td-b3lyp_6-31+g(d).gjf (generated)

045128193.td-b3lyp_6-31+g(d).firefly.inp (generated)

045128193.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045128193.mol 045128193.PUBCHEM 045128193.mol (via Jmol)
045130585.b3lyp_6-31g(d).inp

045130585.b3lyp_6-31g(d).qchem.inp (generated)

045130585.b3lyp_6-31g(d).gjf (generated)

045130585.b3lyp_6-31g(d).firefly.inp (generated)

045130585.b3lyp_6-31g(d).smash.inp (generated)

045130585.b3lyp_6-31g(d).nwchem.inp (generated) 045130585.b3lyp_6-31g(d).log.xz 045130585.td-b3lyp_6-31g+(d).inp 045130585.td-b3lyp_6-31g+(d).log.xz

045130585.td-b3lyp_6-31+g(d).qchem.inp (generated)

045130585.td-b3lyp_6-31+g(d).gjf (generated)

045130585.td-b3lyp_6-31+g(d).firefly.inp (generated)

045130585.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045130585.mol 045130585.PUBCHEM 045130585.mol (via Jmol)
045132241.b3lyp_6-31g(d).inp

045132241.b3lyp_6-31g(d).qchem.inp (generated)

045132241.b3lyp_6-31g(d).gjf (generated)

045132241.b3lyp_6-31g(d).firefly.inp (generated)

045132241.b3lyp_6-31g(d).smash.inp (generated)

045132241.b3lyp_6-31g(d).nwchem.inp (generated) 045132241.b3lyp_6-31g(d).log.xz 045132241.td-b3lyp_6-31g+(d).inp 045132241.td-b3lyp_6-31g+(d).log.xz

045132241.td-b3lyp_6-31+g(d).qchem.inp (generated)

045132241.td-b3lyp_6-31+g(d).gjf (generated)

045132241.td-b3lyp_6-31+g(d).firefly.inp (generated)

045132241.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045132241.mol 045132241.PUBCHEM 045132241.mol (via Jmol)
045132363.b3lyp_6-31g(d).inp

045132363.b3lyp_6-31g(d).qchem.inp (generated)

045132363.b3lyp_6-31g(d).gjf (generated)

045132363.b3lyp_6-31g(d).firefly.inp (generated)

045132363.b3lyp_6-31g(d).smash.inp (generated)

045132363.b3lyp_6-31g(d).nwchem.inp (generated) 045132363.b3lyp_6-31g(d).log.xz 045132363.mol 045132363.PUBCHEM 045132363.mol (via Jmol)
045132636.b3lyp_6-31g(d).inp

045132636.b3lyp_6-31g(d).qchem.inp (generated)

045132636.b3lyp_6-31g(d).gjf (generated)

045132636.b3lyp_6-31g(d).firefly.inp (generated)

045132636.b3lyp_6-31g(d).smash.inp (generated)

045132636.b3lyp_6-31g(d).nwchem.inp (generated) 045132636.b3lyp_6-31g(d).log.xz 045132636.td-b3lyp_6-31g+(d).inp 045132636.td-b3lyp_6-31g+(d).log.xz

045132636.td-b3lyp_6-31+g(d).qchem.inp (generated)

045132636.td-b3lyp_6-31+g(d).gjf (generated)

045132636.td-b3lyp_6-31+g(d).firefly.inp (generated)

045132636.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045132636.mol 045132636.PUBCHEM 045132636.mol (via Jmol)
045132726.b3lyp_6-31g(d).inp

045132726.b3lyp_6-31g(d).qchem.inp (generated)

045132726.b3lyp_6-31g(d).gjf (generated)

045132726.b3lyp_6-31g(d).firefly.inp (generated)

045132726.b3lyp_6-31g(d).smash.inp (generated)

045132726.b3lyp_6-31g(d).nwchem.inp (generated) 045132726.b3lyp_6-31g(d).log.xz 045132726.td-b3lyp_6-31g+(d).inp 045132726.td-b3lyp_6-31g+(d).log.xz

045132726.td-b3lyp_6-31+g(d).qchem.inp (generated)

045132726.td-b3lyp_6-31+g(d).gjf (generated)

045132726.td-b3lyp_6-31+g(d).firefly.inp (generated)

045132726.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045132726.mol 045132726.PUBCHEM 045132726.mol (via Jmol)
045133115.b3lyp_6-31g(d).inp

045133115.b3lyp_6-31g(d).qchem.inp (generated)

045133115.b3lyp_6-31g(d).gjf (generated)

045133115.b3lyp_6-31g(d).firefly.inp (generated)

045133115.b3lyp_6-31g(d).smash.inp (generated)

045133115.b3lyp_6-31g(d).nwchem.inp (generated) 045133115.b3lyp_6-31g(d).log.xz 045133115.td-b3lyp_6-31g+(d).inp 045133115.td-b3lyp_6-31g+(d).log.xz

045133115.td-b3lyp_6-31+g(d).qchem.inp (generated)

045133115.td-b3lyp_6-31+g(d).gjf (generated)

045133115.td-b3lyp_6-31+g(d).firefly.inp (generated)

045133115.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045133115.mol 045133115.PUBCHEM 045133115.mol (via Jmol)
045133116.b3lyp_6-31g(d).inp

045133116.b3lyp_6-31g(d).qchem.inp (generated)

045133116.b3lyp_6-31g(d).gjf (generated)

045133116.b3lyp_6-31g(d).firefly.inp (generated)

045133116.b3lyp_6-31g(d).smash.inp (generated)

045133116.b3lyp_6-31g(d).nwchem.inp (generated) 045133116.b3lyp_6-31g(d).log.xz 045133116.td-b3lyp_6-31g+(d).inp 045133116.td-b3lyp_6-31g+(d).log.xz

045133116.td-b3lyp_6-31+g(d).qchem.inp (generated)

045133116.td-b3lyp_6-31+g(d).gjf (generated)

045133116.td-b3lyp_6-31+g(d).firefly.inp (generated)

045133116.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045133116.mol 045133116.PUBCHEM 045133116.mol (via Jmol)
045133161.b3lyp_6-31g(d).inp

045133161.b3lyp_6-31g(d).qchem.inp (generated)

045133161.b3lyp_6-31g(d).gjf (generated)

045133161.b3lyp_6-31g(d).firefly.inp (generated)

045133161.b3lyp_6-31g(d).smash.inp (generated)

045133161.b3lyp_6-31g(d).nwchem.inp (generated) 045133161.b3lyp_6-31g(d).log.xz 045133161.td-b3lyp_6-31g+(d).inp 045133161.td-b3lyp_6-31g+(d).log.xz

045133161.td-b3lyp_6-31+g(d).qchem.inp (generated)

045133161.td-b3lyp_6-31+g(d).gjf (generated)

045133161.td-b3lyp_6-31+g(d).firefly.inp (generated)

045133161.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045133161.mol 045133161.PUBCHEM 045133161.mol (via Jmol)
045133344.b3lyp_6-31g(d).inp

045133344.b3lyp_6-31g(d).qchem.inp (generated)

045133344.b3lyp_6-31g(d).gjf (generated)

045133344.b3lyp_6-31g(d).firefly.inp (generated)

045133344.b3lyp_6-31g(d).smash.inp (generated)

045133344.b3lyp_6-31g(d).nwchem.inp (generated) 045133344.b3lyp_6-31g(d).log.xz 045133344.td-b3lyp_6-31g+(d).inp 045133344.td-b3lyp_6-31g+(d).log.xz

045133344.td-b3lyp_6-31+g(d).qchem.inp (generated)

045133344.td-b3lyp_6-31+g(d).gjf (generated)

045133344.td-b3lyp_6-31+g(d).firefly.inp (generated)

045133344.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045133344.mol 045133344.PUBCHEM 045133344.mol (via Jmol)
045133345.b3lyp_6-31g(d).inp

045133345.b3lyp_6-31g(d).qchem.inp (generated)

045133345.b3lyp_6-31g(d).gjf (generated)

045133345.b3lyp_6-31g(d).firefly.inp (generated)

045133345.b3lyp_6-31g(d).smash.inp (generated)

045133345.b3lyp_6-31g(d).nwchem.inp (generated) 045133345.b3lyp_6-31g(d).log.xz 045133345.td-b3lyp_6-31g+(d).inp 045133345.td-b3lyp_6-31g+(d).log.xz

045133345.td-b3lyp_6-31+g(d).qchem.inp (generated)

045133345.td-b3lyp_6-31+g(d).gjf (generated)

045133345.td-b3lyp_6-31+g(d).firefly.inp (generated)

045133345.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045133345.mol 045133345.PUBCHEM 045133345.mol (via Jmol)
045133407.b3lyp_6-31g(d).inp

045133407.b3lyp_6-31g(d).qchem.inp (generated)

045133407.b3lyp_6-31g(d).gjf (generated)

045133407.b3lyp_6-31g(d).firefly.inp (generated)

045133407.b3lyp_6-31g(d).smash.inp (generated)

045133407.b3lyp_6-31g(d).nwchem.inp (generated) 045133407.b3lyp_6-31g(d).log.xz 045133407.td-b3lyp_6-31g+(d).inp 045133407.td-b3lyp_6-31g+(d).log.xz

045133407.td-b3lyp_6-31+g(d).qchem.inp (generated)

045133407.td-b3lyp_6-31+g(d).gjf (generated)

045133407.td-b3lyp_6-31+g(d).firefly.inp (generated)

045133407.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045133407.mol 045133407.PUBCHEM 045133407.mol (via Jmol)
045133411.b3lyp_6-31g(d).inp

045133411.b3lyp_6-31g(d).qchem.inp (generated)

045133411.b3lyp_6-31g(d).gjf (generated)

045133411.b3lyp_6-31g(d).firefly.inp (generated)

045133411.b3lyp_6-31g(d).smash.inp (generated)

045133411.b3lyp_6-31g(d).nwchem.inp (generated) 045133411.b3lyp_6-31g(d).log.xz 045133411.mol 045133411.PUBCHEM 045133411.mol (via Jmol)
045133667.b3lyp_6-31g(d).inp

045133667.b3lyp_6-31g(d).qchem.inp (generated)

045133667.b3lyp_6-31g(d).gjf (generated)

045133667.b3lyp_6-31g(d).firefly.inp (generated)

045133667.b3lyp_6-31g(d).smash.inp (generated)

045133667.b3lyp_6-31g(d).nwchem.inp (generated) 045133667.b3lyp_6-31g(d).log.xz 045133667.td-b3lyp_6-31g+(d).inp 045133667.td-b3lyp_6-31g+(d).log.xz

045133667.td-b3lyp_6-31+g(d).qchem.inp (generated)

045133667.td-b3lyp_6-31+g(d).gjf (generated)

045133667.td-b3lyp_6-31+g(d).firefly.inp (generated)

045133667.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045133667.mol 045133667.PUBCHEM 045133667.mol (via Jmol)
045133669.b3lyp_6-31g(d).inp

045133669.b3lyp_6-31g(d).qchem.inp (generated)

045133669.b3lyp_6-31g(d).gjf (generated)

045133669.b3lyp_6-31g(d).firefly.inp (generated)

045133669.b3lyp_6-31g(d).smash.inp (generated)

045133669.b3lyp_6-31g(d).nwchem.inp (generated) 045133669.b3lyp_6-31g(d).log.xz 045133669.td-b3lyp_6-31g+(d).inp 045133669.td-b3lyp_6-31g+(d).log.xz

045133669.td-b3lyp_6-31+g(d).qchem.inp (generated)

045133669.td-b3lyp_6-31+g(d).gjf (generated)

045133669.td-b3lyp_6-31+g(d).firefly.inp (generated)

045133669.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045133669.mol 045133669.PUBCHEM 045133669.mol (via Jmol)
045134919.b3lyp_6-31g(d).inp

045134919.b3lyp_6-31g(d).qchem.inp (generated)

045134919.b3lyp_6-31g(d).gjf (generated)

045134919.b3lyp_6-31g(d).firefly.inp (generated)

045134919.b3lyp_6-31g(d).smash.inp (generated)

045134919.b3lyp_6-31g(d).nwchem.inp (generated) 045134919.b3lyp_6-31g(d).log.xz 045134919.td-b3lyp_6-31g+(d).inp 045134919.td-b3lyp_6-31g+(d).log.xz

045134919.td-b3lyp_6-31+g(d).qchem.inp (generated)

045134919.td-b3lyp_6-31+g(d).gjf (generated)

045134919.td-b3lyp_6-31+g(d).firefly.inp (generated)

045134919.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045134919.mol 045134919.PUBCHEM 045134919.mol (via Jmol)
045134922.b3lyp_6-31g(d).inp

045134922.b3lyp_6-31g(d).qchem.inp (generated)

045134922.b3lyp_6-31g(d).gjf (generated)

045134922.b3lyp_6-31g(d).firefly.inp (generated)

045134922.b3lyp_6-31g(d).smash.inp (generated)

045134922.b3lyp_6-31g(d).nwchem.inp (generated) 045134922.b3lyp_6-31g(d).log.xz 045134922.mol 045134922.PUBCHEM 045134922.mol (via Jmol)
045134923.b3lyp_6-31g(d).inp

045134923.b3lyp_6-31g(d).qchem.inp (generated)

045134923.b3lyp_6-31g(d).gjf (generated)

045134923.b3lyp_6-31g(d).firefly.inp (generated)

045134923.b3lyp_6-31g(d).smash.inp (generated)

045134923.b3lyp_6-31g(d).nwchem.inp (generated) 045134923.b3lyp_6-31g(d).log.xz 045134923.td-b3lyp_6-31g+(d).inp 045134923.td-b3lyp_6-31g+(d).log.xz

045134923.td-b3lyp_6-31+g(d).qchem.inp (generated)

045134923.td-b3lyp_6-31+g(d).gjf (generated)

045134923.td-b3lyp_6-31+g(d).firefly.inp (generated)

045134923.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045134923.mol 045134923.PUBCHEM 045134923.mol (via Jmol)
045135307.b3lyp_6-31g(d).inp

045135307.b3lyp_6-31g(d).qchem.inp (generated)

045135307.b3lyp_6-31g(d).gjf (generated)

045135307.b3lyp_6-31g(d).firefly.inp (generated)

045135307.b3lyp_6-31g(d).smash.inp (generated)

045135307.b3lyp_6-31g(d).nwchem.inp (generated) 045135307.b3lyp_6-31g(d).log.xz 045135307.td-b3lyp_6-31g+(d).inp 045135307.td-b3lyp_6-31g+(d).log.xz

045135307.td-b3lyp_6-31+g(d).qchem.inp (generated)

045135307.td-b3lyp_6-31+g(d).gjf (generated)

045135307.td-b3lyp_6-31+g(d).firefly.inp (generated)

045135307.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045135307.mol 045135307.PUBCHEM 045135307.mol (via Jmol)
045135781.b3lyp_6-31g(d).inp

045135781.b3lyp_6-31g(d).qchem.inp (generated)

045135781.b3lyp_6-31g(d).gjf (generated)

045135781.b3lyp_6-31g(d).firefly.inp (generated)

045135781.b3lyp_6-31g(d).smash.inp (generated)

045135781.b3lyp_6-31g(d).nwchem.inp (generated) 045135781.b3lyp_6-31g(d).log.xz 045135781.td-b3lyp_6-31g+(d).inp 045135781.td-b3lyp_6-31g+(d).log.xz

045135781.td-b3lyp_6-31+g(d).qchem.inp (generated)

045135781.td-b3lyp_6-31+g(d).gjf (generated)

045135781.td-b3lyp_6-31+g(d).firefly.inp (generated)

045135781.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045135781.mol 045135781.PUBCHEM 045135781.mol (via Jmol)
045135795.b3lyp_6-31g(d).inp

045135795.b3lyp_6-31g(d).qchem.inp (generated)

045135795.b3lyp_6-31g(d).gjf (generated)

045135795.b3lyp_6-31g(d).firefly.inp (generated)

045135795.b3lyp_6-31g(d).smash.inp (generated)

045135795.b3lyp_6-31g(d).nwchem.inp (generated) 045135795.b3lyp_6-31g(d).log.xz 045135795.td-b3lyp_6-31g+(d).inp 045135795.td-b3lyp_6-31g+(d).log.xz

045135795.td-b3lyp_6-31+g(d).qchem.inp (generated)

045135795.td-b3lyp_6-31+g(d).gjf (generated)

045135795.td-b3lyp_6-31+g(d).firefly.inp (generated)

045135795.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045135795.mol 045135795.PUBCHEM 045135795.mol (via Jmol)
045135828.b3lyp_6-31g(d).inp

045135828.b3lyp_6-31g(d).qchem.inp (generated)

045135828.b3lyp_6-31g(d).gjf (generated)

045135828.b3lyp_6-31g(d).firefly.inp (generated)

045135828.b3lyp_6-31g(d).smash.inp (generated)

045135828.b3lyp_6-31g(d).nwchem.inp (generated) 045135828.b3lyp_6-31g(d).log.xz 045135828.mol 045135828.PUBCHEM 045135828.mol (via Jmol)
045136581.b3lyp_6-31g(d).inp

045136581.b3lyp_6-31g(d).qchem.inp (generated)

045136581.b3lyp_6-31g(d).gjf (generated)

045136581.b3lyp_6-31g(d).firefly.inp (generated)

045136581.b3lyp_6-31g(d).smash.inp (generated)

045136581.b3lyp_6-31g(d).nwchem.inp (generated) 045136581.b3lyp_6-31g(d).log.xz 045136581.td-b3lyp_6-31g+(d).inp 045136581.td-b3lyp_6-31g+(d).log.xz

045136581.td-b3lyp_6-31+g(d).qchem.inp (generated)

045136581.td-b3lyp_6-31+g(d).gjf (generated)

045136581.td-b3lyp_6-31+g(d).firefly.inp (generated)

045136581.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045136581.mol 045136581.PUBCHEM 045136581.mol (via Jmol)
045136767.b3lyp_6-31g(d).inp

045136767.b3lyp_6-31g(d).qchem.inp (generated)

045136767.b3lyp_6-31g(d).gjf (generated)

045136767.b3lyp_6-31g(d).firefly.inp (generated)

045136767.b3lyp_6-31g(d).smash.inp (generated)

045136767.b3lyp_6-31g(d).nwchem.inp (generated) 045136767.b3lyp_6-31g(d).log.xz 045136767.td-b3lyp_6-31g+(d).inp 045136767.td-b3lyp_6-31g+(d).log.xz

045136767.td-b3lyp_6-31+g(d).qchem.inp (generated)

045136767.td-b3lyp_6-31+g(d).gjf (generated)

045136767.td-b3lyp_6-31+g(d).firefly.inp (generated)

045136767.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045136767.mol 045136767.PUBCHEM 045136767.mol (via Jmol)
045136910.b3lyp_6-31g(d).inp

045136910.b3lyp_6-31g(d).qchem.inp (generated)

045136910.b3lyp_6-31g(d).gjf (generated)

045136910.b3lyp_6-31g(d).firefly.inp (generated)

045136910.b3lyp_6-31g(d).smash.inp (generated)

045136910.b3lyp_6-31g(d).nwchem.inp (generated) 045136910.b3lyp_6-31g(d).log.xz 045136910.td-b3lyp_6-31g+(d).inp 045136910.td-b3lyp_6-31g+(d).log.xz

045136910.td-b3lyp_6-31+g(d).qchem.inp (generated)

045136910.td-b3lyp_6-31+g(d).gjf (generated)

045136910.td-b3lyp_6-31+g(d).firefly.inp (generated)

045136910.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045136910.mol 045136910.PUBCHEM 045136910.mol (via Jmol)
045137019.b3lyp_6-31g(d).inp

045137019.b3lyp_6-31g(d).qchem.inp (generated)

045137019.b3lyp_6-31g(d).gjf (generated)

045137019.b3lyp_6-31g(d).firefly.inp (generated)

045137019.b3lyp_6-31g(d).smash.inp (generated)

045137019.b3lyp_6-31g(d).nwchem.inp (generated) 045137019.b3lyp_6-31g(d).log.xz 045137019.td-b3lyp_6-31g+(d).inp 045137019.td-b3lyp_6-31g+(d).log.xz

045137019.td-b3lyp_6-31+g(d).qchem.inp (generated)

045137019.td-b3lyp_6-31+g(d).gjf (generated)

045137019.td-b3lyp_6-31+g(d).firefly.inp (generated)

045137019.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045137019.mol 045137019.PUBCHEM 045137019.mol (via Jmol)
045137024.b3lyp_6-31g(d).inp

045137024.b3lyp_6-31g(d).qchem.inp (generated)

045137024.b3lyp_6-31g(d).gjf (generated)

045137024.b3lyp_6-31g(d).firefly.inp (generated)

045137024.b3lyp_6-31g(d).smash.inp (generated)

045137024.b3lyp_6-31g(d).nwchem.inp (generated) 045137024.b3lyp_6-31g(d).log.xz 045137024.td-b3lyp_6-31g+(d).inp 045137024.td-b3lyp_6-31g+(d).log.xz

045137024.td-b3lyp_6-31+g(d).qchem.inp (generated)

045137024.td-b3lyp_6-31+g(d).gjf (generated)

045137024.td-b3lyp_6-31+g(d).firefly.inp (generated)

045137024.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045137024.mol 045137024.PUBCHEM 045137024.mol (via Jmol)
045137344.b3lyp_6-31g(d).inp

045137344.b3lyp_6-31g(d).qchem.inp (generated)

045137344.b3lyp_6-31g(d).gjf (generated)

045137344.b3lyp_6-31g(d).firefly.inp (generated)

045137344.b3lyp_6-31g(d).smash.inp (generated)

045137344.b3lyp_6-31g(d).nwchem.inp (generated) 045137344.b3lyp_6-31g(d).log.xz 045137344.td-b3lyp_6-31g+(d).inp 045137344.td-b3lyp_6-31g+(d).log.xz

045137344.td-b3lyp_6-31+g(d).qchem.inp (generated)

045137344.td-b3lyp_6-31+g(d).gjf (generated)

045137344.td-b3lyp_6-31+g(d).firefly.inp (generated)

045137344.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045137344.mol 045137344.PUBCHEM 045137344.mol (via Jmol)
045137355.b3lyp_6-31g(d).inp

045137355.b3lyp_6-31g(d).qchem.inp (generated)

045137355.b3lyp_6-31g(d).gjf (generated)

045137355.b3lyp_6-31g(d).firefly.inp (generated)

045137355.b3lyp_6-31g(d).smash.inp (generated)

045137355.b3lyp_6-31g(d).nwchem.inp (generated) 045137355.b3lyp_6-31g(d).log.xz 045137355.mol 045137355.PUBCHEM 045137355.mol (via Jmol)
045137560.b3lyp_6-31g(d).inp

045137560.b3lyp_6-31g(d).qchem.inp (generated)

045137560.b3lyp_6-31g(d).gjf (generated)

045137560.b3lyp_6-31g(d).firefly.inp (generated)

045137560.b3lyp_6-31g(d).smash.inp (generated)

045137560.b3lyp_6-31g(d).nwchem.inp (generated) 045137560.b3lyp_6-31g(d).log.xz 045137560.mol 045137560.PUBCHEM 045137560.mol (via Jmol)
045137996.b3lyp_6-31g(d).inp

045137996.b3lyp_6-31g(d).qchem.inp (generated)

045137996.b3lyp_6-31g(d).gjf (generated)

045137996.b3lyp_6-31g(d).firefly.inp (generated)

045137996.b3lyp_6-31g(d).smash.inp (generated)

045137996.b3lyp_6-31g(d).nwchem.inp (generated) 045137996.b3lyp_6-31g(d).log.xz 045137996.td-b3lyp_6-31g+(d).inp 045137996.td-b3lyp_6-31g+(d).log.xz

045137996.td-b3lyp_6-31+g(d).qchem.inp (generated)

045137996.td-b3lyp_6-31+g(d).gjf (generated)

045137996.td-b3lyp_6-31+g(d).firefly.inp (generated)

045137996.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045137996.mol 045137996.PUBCHEM 045137996.mol (via Jmol)
045137997.b3lyp_6-31g(d).inp

045137997.b3lyp_6-31g(d).qchem.inp (generated)

045137997.b3lyp_6-31g(d).gjf (generated)

045137997.b3lyp_6-31g(d).firefly.inp (generated)

045137997.b3lyp_6-31g(d).smash.inp (generated)

045137997.b3lyp_6-31g(d).nwchem.inp (generated) 045137997.b3lyp_6-31g(d).log.xz 045137997.td-b3lyp_6-31g+(d).inp 045137997.td-b3lyp_6-31g+(d).log.xz

045137997.td-b3lyp_6-31+g(d).qchem.inp (generated)

045137997.td-b3lyp_6-31+g(d).gjf (generated)

045137997.td-b3lyp_6-31+g(d).firefly.inp (generated)

045137997.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045137997.mol 045137997.PUBCHEM 045137997.mol (via Jmol)
045138271.b3lyp_6-31g(d).inp

045138271.b3lyp_6-31g(d).qchem.inp (generated)

045138271.b3lyp_6-31g(d).gjf (generated)

045138271.b3lyp_6-31g(d).firefly.inp (generated)

045138271.b3lyp_6-31g(d).smash.inp (generated)

045138271.b3lyp_6-31g(d).nwchem.inp (generated) 045138271.b3lyp_6-31g(d).log.xz 045138271.td-b3lyp_6-31g+(d).inp 045138271.td-b3lyp_6-31g+(d).log.xz

045138271.td-b3lyp_6-31+g(d).qchem.inp (generated)

045138271.td-b3lyp_6-31+g(d).gjf (generated)

045138271.td-b3lyp_6-31+g(d).firefly.inp (generated)

045138271.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045138271.mol 045138271.PUBCHEM 045138271.mol (via Jmol)
045138410.b3lyp_6-31g(d).inp

045138410.b3lyp_6-31g(d).qchem.inp (generated)

045138410.b3lyp_6-31g(d).gjf (generated)

045138410.b3lyp_6-31g(d).firefly.inp (generated)

045138410.b3lyp_6-31g(d).smash.inp (generated)

045138410.b3lyp_6-31g(d).nwchem.inp (generated) 045138410.b3lyp_6-31g(d).log.xz 045138410.td-b3lyp_6-31g+(d).inp 045138410.td-b3lyp_6-31g+(d).log.xz

045138410.td-b3lyp_6-31+g(d).qchem.inp (generated)

045138410.td-b3lyp_6-31+g(d).gjf (generated)

045138410.td-b3lyp_6-31+g(d).firefly.inp (generated)

045138410.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045138410.mol 045138410.PUBCHEM 045138410.mol (via Jmol)
045138411.b3lyp_6-31g(d).inp

045138411.b3lyp_6-31g(d).qchem.inp (generated)

045138411.b3lyp_6-31g(d).gjf (generated)

045138411.b3lyp_6-31g(d).firefly.inp (generated)

045138411.b3lyp_6-31g(d).smash.inp (generated)

045138411.b3lyp_6-31g(d).nwchem.inp (generated) 045138411.b3lyp_6-31g(d).log.xz 045138411.td-b3lyp_6-31g+(d).inp 045138411.td-b3lyp_6-31g+(d).log.xz

045138411.td-b3lyp_6-31+g(d).qchem.inp (generated)

045138411.td-b3lyp_6-31+g(d).gjf (generated)

045138411.td-b3lyp_6-31+g(d).firefly.inp (generated)

045138411.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045138411.mol 045138411.PUBCHEM 045138411.mol (via Jmol)
045138532.b3lyp_6-31g(d).inp

045138532.b3lyp_6-31g(d).qchem.inp (generated)

045138532.b3lyp_6-31g(d).gjf (generated)

045138532.b3lyp_6-31g(d).firefly.inp (generated)

045138532.b3lyp_6-31g(d).smash.inp (generated)

045138532.b3lyp_6-31g(d).nwchem.inp (generated) 045138532.b3lyp_6-31g(d).log.xz 045138532.td-b3lyp_6-31g+(d).inp 045138532.td-b3lyp_6-31g+(d).log.xz

045138532.td-b3lyp_6-31+g(d).qchem.inp (generated)

045138532.td-b3lyp_6-31+g(d).gjf (generated)

045138532.td-b3lyp_6-31+g(d).firefly.inp (generated)

045138532.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045138532.mol 045138532.PUBCHEM 045138532.mol (via Jmol)
045138781.b3lyp_6-31g(d).inp

045138781.b3lyp_6-31g(d).qchem.inp (generated)

045138781.b3lyp_6-31g(d).gjf (generated)

045138781.b3lyp_6-31g(d).firefly.inp (generated)

045138781.b3lyp_6-31g(d).smash.inp (generated)

045138781.b3lyp_6-31g(d).nwchem.inp (generated) 045138781.b3lyp_6-31g(d).log.xz 045138781.mol 045138781.PUBCHEM 045138781.mol (via Jmol)
045138821.b3lyp_6-31g(d).inp

045138821.b3lyp_6-31g(d).qchem.inp (generated)

045138821.b3lyp_6-31g(d).gjf (generated)

045138821.b3lyp_6-31g(d).firefly.inp (generated)

045138821.b3lyp_6-31g(d).smash.inp (generated)

045138821.b3lyp_6-31g(d).nwchem.inp (generated) 045138821.b3lyp_6-31g(d).log.xz 045138821.td-b3lyp_6-31g+(d).inp 045138821.td-b3lyp_6-31g+(d).log.xz

045138821.td-b3lyp_6-31+g(d).qchem.inp (generated)

045138821.td-b3lyp_6-31+g(d).gjf (generated)

045138821.td-b3lyp_6-31+g(d).firefly.inp (generated)

045138821.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045138821.mol 045138821.PUBCHEM 045138821.mol (via Jmol)
045138822.b3lyp_6-31g(d).inp

045138822.b3lyp_6-31g(d).qchem.inp (generated)

045138822.b3lyp_6-31g(d).gjf (generated)

045138822.b3lyp_6-31g(d).firefly.inp (generated)

045138822.b3lyp_6-31g(d).smash.inp (generated)

045138822.b3lyp_6-31g(d).nwchem.inp (generated) 045138822.b3lyp_6-31g(d).log.xz 045138822.td-b3lyp_6-31g+(d).inp 045138822.td-b3lyp_6-31g+(d).log.xz

045138822.td-b3lyp_6-31+g(d).qchem.inp (generated)

045138822.td-b3lyp_6-31+g(d).gjf (generated)

045138822.td-b3lyp_6-31+g(d).firefly.inp (generated)

045138822.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045138822.mol 045138822.PUBCHEM 045138822.mol (via Jmol)
045139129.b3lyp_6-31g(d).inp

045139129.b3lyp_6-31g(d).qchem.inp (generated)

045139129.b3lyp_6-31g(d).gjf (generated)

045139129.b3lyp_6-31g(d).firefly.inp (generated)

045139129.b3lyp_6-31g(d).smash.inp (generated)

045139129.b3lyp_6-31g(d).nwchem.inp (generated) 045139129.b3lyp_6-31g(d).log.xz 045139129.td-b3lyp_6-31g+(d).inp 045139129.td-b3lyp_6-31g+(d).log.xz

045139129.td-b3lyp_6-31+g(d).qchem.inp (generated)

045139129.td-b3lyp_6-31+g(d).gjf (generated)

045139129.td-b3lyp_6-31+g(d).firefly.inp (generated)

045139129.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045139129.mol 045139129.PUBCHEM 045139129.mol (via Jmol)
045139331.b3lyp_6-31g(d).inp

045139331.b3lyp_6-31g(d).qchem.inp (generated)

045139331.b3lyp_6-31g(d).gjf (generated)

045139331.b3lyp_6-31g(d).firefly.inp (generated)

045139331.b3lyp_6-31g(d).smash.inp (generated)

045139331.b3lyp_6-31g(d).nwchem.inp (generated) 045139331.b3lyp_6-31g(d).log.xz 045139331.td-b3lyp_6-31g+(d).inp 045139331.td-b3lyp_6-31g+(d).log.xz

045139331.td-b3lyp_6-31+g(d).qchem.inp (generated)

045139331.td-b3lyp_6-31+g(d).gjf (generated)

045139331.td-b3lyp_6-31+g(d).firefly.inp (generated)

045139331.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045139331.mol 045139331.PUBCHEM 045139331.mol (via Jmol)
045139332.b3lyp_6-31g(d).inp

045139332.b3lyp_6-31g(d).qchem.inp (generated)

045139332.b3lyp_6-31g(d).gjf (generated)

045139332.b3lyp_6-31g(d).firefly.inp (generated)

045139332.b3lyp_6-31g(d).smash.inp (generated)

045139332.b3lyp_6-31g(d).nwchem.inp (generated) 045139332.b3lyp_6-31g(d).log.xz 045139332.td-b3lyp_6-31g+(d).inp 045139332.td-b3lyp_6-31g+(d).log.xz

045139332.td-b3lyp_6-31+g(d).qchem.inp (generated)

045139332.td-b3lyp_6-31+g(d).gjf (generated)

045139332.td-b3lyp_6-31+g(d).firefly.inp (generated)

045139332.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045139332.mol 045139332.PUBCHEM 045139332.mol (via Jmol)
045139337.b3lyp_6-31g(d).inp

045139337.b3lyp_6-31g(d).qchem.inp (generated)

045139337.b3lyp_6-31g(d).gjf (generated)

045139337.b3lyp_6-31g(d).firefly.inp (generated)

045139337.b3lyp_6-31g(d).smash.inp (generated)

045139337.b3lyp_6-31g(d).nwchem.inp (generated) 045139337.b3lyp_6-31g(d).log.xz 045139337.td-b3lyp_6-31g+(d).inp 045139337.td-b3lyp_6-31g+(d).log.xz

045139337.td-b3lyp_6-31+g(d).qchem.inp (generated)

045139337.td-b3lyp_6-31+g(d).gjf (generated)

045139337.td-b3lyp_6-31+g(d).firefly.inp (generated)

045139337.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045139337.mol 045139337.PUBCHEM 045139337.mol (via Jmol)
045139351.b3lyp_6-31g(d).inp

045139351.b3lyp_6-31g(d).qchem.inp (generated)

045139351.b3lyp_6-31g(d).gjf (generated)

045139351.b3lyp_6-31g(d).firefly.inp (generated)

045139351.b3lyp_6-31g(d).smash.inp (generated)

045139351.b3lyp_6-31g(d).nwchem.inp (generated) 045139351.b3lyp_6-31g(d).log.xz 045139351.td-b3lyp_6-31g+(d).inp 045139351.td-b3lyp_6-31g+(d).log.xz

045139351.td-b3lyp_6-31+g(d).qchem.inp (generated)

045139351.td-b3lyp_6-31+g(d).gjf (generated)

045139351.td-b3lyp_6-31+g(d).firefly.inp (generated)

045139351.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045139351.mol 045139351.PUBCHEM 045139351.mol (via Jmol)
045139409.b3lyp_6-31g(d).inp

045139409.b3lyp_6-31g(d).qchem.inp (generated)

045139409.b3lyp_6-31g(d).gjf (generated)

045139409.b3lyp_6-31g(d).firefly.inp (generated)

045139409.b3lyp_6-31g(d).smash.inp (generated)

045139409.b3lyp_6-31g(d).nwchem.inp (generated) 045139409.b3lyp_6-31g(d).log.xz 045139409.td-b3lyp_6-31g+(d).inp 045139409.td-b3lyp_6-31g+(d).log.xz

045139409.td-b3lyp_6-31+g(d).qchem.inp (generated)

045139409.td-b3lyp_6-31+g(d).gjf (generated)

045139409.td-b3lyp_6-31+g(d).firefly.inp (generated)

045139409.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045139409.mol 045139409.PUBCHEM 045139409.mol (via Jmol)
045139677.b3lyp_6-31g(d).inp

045139677.b3lyp_6-31g(d).qchem.inp (generated)

045139677.b3lyp_6-31g(d).gjf (generated)

045139677.b3lyp_6-31g(d).firefly.inp (generated)

045139677.b3lyp_6-31g(d).smash.inp (generated)

045139677.b3lyp_6-31g(d).nwchem.inp (generated) 045139677.b3lyp_6-31g(d).log.xz 045139677.td-b3lyp_6-31g+(d).inp 045139677.td-b3lyp_6-31g+(d).log.xz

045139677.td-b3lyp_6-31+g(d).qchem.inp (generated)

045139677.td-b3lyp_6-31+g(d).gjf (generated)

045139677.td-b3lyp_6-31+g(d).firefly.inp (generated)

045139677.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045139677.mol 045139677.PUBCHEM 045139677.mol (via Jmol)
045139679.b3lyp_6-31g(d).inp

045139679.b3lyp_6-31g(d).qchem.inp (generated)

045139679.b3lyp_6-31g(d).gjf (generated)

045139679.b3lyp_6-31g(d).firefly.inp (generated)

045139679.b3lyp_6-31g(d).smash.inp (generated)

045139679.b3lyp_6-31g(d).nwchem.inp (generated) 045139679.b3lyp_6-31g(d).log.xz 045139679.td-b3lyp_6-31g+(d).inp 045139679.td-b3lyp_6-31g+(d).log.xz

045139679.td-b3lyp_6-31+g(d).qchem.inp (generated)

045139679.td-b3lyp_6-31+g(d).gjf (generated)

045139679.td-b3lyp_6-31+g(d).firefly.inp (generated)

045139679.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045139679.mol 045139679.PUBCHEM 045139679.mol (via Jmol)
045139680.b3lyp_6-31g(d).inp

045139680.b3lyp_6-31g(d).qchem.inp (generated)

045139680.b3lyp_6-31g(d).gjf (generated)

045139680.b3lyp_6-31g(d).firefly.inp (generated)

045139680.b3lyp_6-31g(d).smash.inp (generated)

045139680.b3lyp_6-31g(d).nwchem.inp (generated) 045139680.b3lyp_6-31g(d).log.xz 045139680.td-b3lyp_6-31g+(d).inp 045139680.td-b3lyp_6-31g+(d).log.xz

045139680.td-b3lyp_6-31+g(d).qchem.inp (generated)

045139680.td-b3lyp_6-31+g(d).gjf (generated)

045139680.td-b3lyp_6-31+g(d).firefly.inp (generated)

045139680.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045139680.mol 045139680.PUBCHEM 045139680.mol (via Jmol)
045139683.b3lyp_6-31g(d).inp

045139683.b3lyp_6-31g(d).qchem.inp (generated)

045139683.b3lyp_6-31g(d).gjf (generated)

045139683.b3lyp_6-31g(d).firefly.inp (generated)

045139683.b3lyp_6-31g(d).smash.inp (generated)

045139683.b3lyp_6-31g(d).nwchem.inp (generated) 045139683.b3lyp_6-31g(d).log.xz 045139683.mol 045139683.PUBCHEM 045139683.mol (via Jmol)
045139703.b3lyp_6-31g(d).inp

045139703.b3lyp_6-31g(d).qchem.inp (generated)

045139703.b3lyp_6-31g(d).gjf (generated)

045139703.b3lyp_6-31g(d).firefly.inp (generated)

045139703.b3lyp_6-31g(d).smash.inp (generated)

045139703.b3lyp_6-31g(d).nwchem.inp (generated) 045139703.b3lyp_6-31g(d).log.xz 045139703.td-b3lyp_6-31g+(d).inp 045139703.td-b3lyp_6-31g+(d).log.xz

045139703.td-b3lyp_6-31+g(d).qchem.inp (generated)

045139703.td-b3lyp_6-31+g(d).gjf (generated)

045139703.td-b3lyp_6-31+g(d).firefly.inp (generated)

045139703.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045139703.mol 045139703.PUBCHEM 045139703.mol (via Jmol)
045139730.b3lyp_6-31g(d).inp

045139730.b3lyp_6-31g(d).qchem.inp (generated)

045139730.b3lyp_6-31g(d).gjf (generated)

045139730.b3lyp_6-31g(d).firefly.inp (generated)

045139730.b3lyp_6-31g(d).smash.inp (generated)

045139730.b3lyp_6-31g(d).nwchem.inp (generated) 045139730.b3lyp_6-31g(d).log.xz 045139730.td-b3lyp_6-31g+(d).inp 045139730.td-b3lyp_6-31g+(d).log.xz

045139730.td-b3lyp_6-31+g(d).qchem.inp (generated)

045139730.td-b3lyp_6-31+g(d).gjf (generated)

045139730.td-b3lyp_6-31+g(d).firefly.inp (generated)

045139730.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045139730.mol 045139730.PUBCHEM 045139730.mol (via Jmol)
045139735.b3lyp_6-31g(d).inp

045139735.b3lyp_6-31g(d).qchem.inp (generated)

045139735.b3lyp_6-31g(d).gjf (generated)

045139735.b3lyp_6-31g(d).firefly.inp (generated)

045139735.b3lyp_6-31g(d).smash.inp (generated)

045139735.b3lyp_6-31g(d).nwchem.inp (generated) 045139735.b3lyp_6-31g(d).log.xz 045139735.td-b3lyp_6-31g+(d).inp 045139735.td-b3lyp_6-31g+(d).log.xz

045139735.td-b3lyp_6-31+g(d).qchem.inp (generated)

045139735.td-b3lyp_6-31+g(d).gjf (generated)

045139735.td-b3lyp_6-31+g(d).firefly.inp (generated)

045139735.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045139735.mol 045139735.PUBCHEM 045139735.mol (via Jmol)
045139858.b3lyp_6-31g(d).inp

045139858.b3lyp_6-31g(d).qchem.inp (generated)

045139858.b3lyp_6-31g(d).gjf (generated)

045139858.b3lyp_6-31g(d).firefly.inp (generated)

045139858.b3lyp_6-31g(d).smash.inp (generated)

045139858.b3lyp_6-31g(d).nwchem.inp (generated) 045139858.b3lyp_6-31g(d).log.xz 045139858.td-b3lyp_6-31g+(d).inp 045139858.td-b3lyp_6-31g+(d).log.xz

045139858.td-b3lyp_6-31+g(d).qchem.inp (generated)

045139858.td-b3lyp_6-31+g(d).gjf (generated)

045139858.td-b3lyp_6-31+g(d).firefly.inp (generated)

045139858.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045139858.mol 045139858.PUBCHEM 045139858.mol (via Jmol)
045139860.b3lyp_6-31g(d).inp

045139860.b3lyp_6-31g(d).qchem.inp (generated)

045139860.b3lyp_6-31g(d).gjf (generated)

045139860.b3lyp_6-31g(d).firefly.inp (generated)

045139860.b3lyp_6-31g(d).smash.inp (generated)

045139860.b3lyp_6-31g(d).nwchem.inp (generated) 045139860.b3lyp_6-31g(d).log.xz 045139860.td-b3lyp_6-31g+(d).inp 045139860.td-b3lyp_6-31g+(d).log.xz

045139860.td-b3lyp_6-31+g(d).qchem.inp (generated)

045139860.td-b3lyp_6-31+g(d).gjf (generated)

045139860.td-b3lyp_6-31+g(d).firefly.inp (generated)

045139860.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045139860.mol 045139860.PUBCHEM 045139860.mol (via Jmol)
045139861.b3lyp_6-31g(d).inp

045139861.b3lyp_6-31g(d).qchem.inp (generated)

045139861.b3lyp_6-31g(d).gjf (generated)

045139861.b3lyp_6-31g(d).firefly.inp (generated)

045139861.b3lyp_6-31g(d).smash.inp (generated)

045139861.b3lyp_6-31g(d).nwchem.inp (generated) 045139861.b3lyp_6-31g(d).log.xz 045139861.td-b3lyp_6-31g+(d).inp 045139861.td-b3lyp_6-31g+(d).log.xz

045139861.td-b3lyp_6-31+g(d).qchem.inp (generated)

045139861.td-b3lyp_6-31+g(d).gjf (generated)

045139861.td-b3lyp_6-31+g(d).firefly.inp (generated)

045139861.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045139861.mol 045139861.PUBCHEM 045139861.mol (via Jmol)
045139863.b3lyp_6-31g(d).inp

045139863.b3lyp_6-31g(d).qchem.inp (generated)

045139863.b3lyp_6-31g(d).gjf (generated)

045139863.b3lyp_6-31g(d).firefly.inp (generated)

045139863.b3lyp_6-31g(d).smash.inp (generated)

045139863.b3lyp_6-31g(d).nwchem.inp (generated) 045139863.b3lyp_6-31g(d).log.xz 045139863.td-b3lyp_6-31g+(d).inp 045139863.td-b3lyp_6-31g+(d).log.xz

045139863.td-b3lyp_6-31+g(d).qchem.inp (generated)

045139863.td-b3lyp_6-31+g(d).gjf (generated)

045139863.td-b3lyp_6-31+g(d).firefly.inp (generated)

045139863.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045139863.mol 045139863.PUBCHEM 045139863.mol (via Jmol)
045139895.b3lyp_6-31g(d).inp

045139895.b3lyp_6-31g(d).qchem.inp (generated)

045139895.b3lyp_6-31g(d).gjf (generated)

045139895.b3lyp_6-31g(d).firefly.inp (generated)

045139895.b3lyp_6-31g(d).smash.inp (generated)

045139895.b3lyp_6-31g(d).nwchem.inp (generated) 045139895.b3lyp_6-31g(d).log.xz 045139895.td-b3lyp_6-31g+(d).inp 045139895.td-b3lyp_6-31g+(d).log.xz

045139895.td-b3lyp_6-31+g(d).qchem.inp (generated)

045139895.td-b3lyp_6-31+g(d).gjf (generated)

045139895.td-b3lyp_6-31+g(d).firefly.inp (generated)

045139895.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045139895.mol 045139895.PUBCHEM 045139895.mol (via Jmol)
045139897.b3lyp_6-31g(d).inp

045139897.b3lyp_6-31g(d).qchem.inp (generated)

045139897.b3lyp_6-31g(d).gjf (generated)

045139897.b3lyp_6-31g(d).firefly.inp (generated)

045139897.b3lyp_6-31g(d).smash.inp (generated)

045139897.b3lyp_6-31g(d).nwchem.inp (generated) 045139897.b3lyp_6-31g(d).log.xz 045139897.td-b3lyp_6-31g+(d).inp 045139897.td-b3lyp_6-31g+(d).log.xz

045139897.td-b3lyp_6-31+g(d).qchem.inp (generated)

045139897.td-b3lyp_6-31+g(d).gjf (generated)

045139897.td-b3lyp_6-31+g(d).firefly.inp (generated)

045139897.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045139897.mol 045139897.PUBCHEM 045139897.mol (via Jmol)
045139912.b3lyp_6-31g(d).inp

045139912.b3lyp_6-31g(d).qchem.inp (generated)

045139912.b3lyp_6-31g(d).gjf (generated)

045139912.b3lyp_6-31g(d).firefly.inp (generated)

045139912.b3lyp_6-31g(d).smash.inp (generated)

045139912.b3lyp_6-31g(d).nwchem.inp (generated) 045139912.b3lyp_6-31g(d).log.xz 045139912.td-b3lyp_6-31g+(d).inp 045139912.td-b3lyp_6-31g+(d).log.xz

045139912.td-b3lyp_6-31+g(d).qchem.inp (generated)

045139912.td-b3lyp_6-31+g(d).gjf (generated)

045139912.td-b3lyp_6-31+g(d).firefly.inp (generated)

045139912.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045139912.mol 045139912.PUBCHEM 045139912.mol (via Jmol)
045139913.b3lyp_6-31g(d).inp

045139913.b3lyp_6-31g(d).qchem.inp (generated)

045139913.b3lyp_6-31g(d).gjf (generated)

045139913.b3lyp_6-31g(d).firefly.inp (generated)

045139913.b3lyp_6-31g(d).smash.inp (generated)

045139913.b3lyp_6-31g(d).nwchem.inp (generated) 045139913.b3lyp_6-31g(d).log.xz 045139913.td-b3lyp_6-31g+(d).inp 045139913.td-b3lyp_6-31g+(d).log.xz

045139913.td-b3lyp_6-31+g(d).qchem.inp (generated)

045139913.td-b3lyp_6-31+g(d).gjf (generated)

045139913.td-b3lyp_6-31+g(d).firefly.inp (generated)

045139913.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045139913.mol 045139913.PUBCHEM 045139913.mol (via Jmol)
045139914.b3lyp_6-31g(d).inp

045139914.b3lyp_6-31g(d).qchem.inp (generated)

045139914.b3lyp_6-31g(d).gjf (generated)

045139914.b3lyp_6-31g(d).firefly.inp (generated)

045139914.b3lyp_6-31g(d).smash.inp (generated)

045139914.b3lyp_6-31g(d).nwchem.inp (generated) 045139914.b3lyp_6-31g(d).log.xz 045139914.td-b3lyp_6-31g+(d).inp 045139914.td-b3lyp_6-31g+(d).log.xz

045139914.td-b3lyp_6-31+g(d).qchem.inp (generated)

045139914.td-b3lyp_6-31+g(d).gjf (generated)

045139914.td-b3lyp_6-31+g(d).firefly.inp (generated)

045139914.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045139914.mol 045139914.PUBCHEM 045139914.mol (via Jmol)
045140094.b3lyp_6-31g(d).inp

045140094.b3lyp_6-31g(d).qchem.inp (generated)

045140094.b3lyp_6-31g(d).gjf (generated)

045140094.b3lyp_6-31g(d).firefly.inp (generated)

045140094.b3lyp_6-31g(d).smash.inp (generated)

045140094.b3lyp_6-31g(d).nwchem.inp (generated) 045140094.b3lyp_6-31g(d).log.xz 045140094.mol 045140094.PUBCHEM 045140094.mol (via Jmol)
045140120.b3lyp_6-31g(d).inp

045140120.b3lyp_6-31g(d).qchem.inp (generated)

045140120.b3lyp_6-31g(d).gjf (generated)

045140120.b3lyp_6-31g(d).firefly.inp (generated)

045140120.b3lyp_6-31g(d).smash.inp (generated)

045140120.b3lyp_6-31g(d).nwchem.inp (generated) 045140120.b3lyp_6-31g(d).log.xz 045140120.td-b3lyp_6-31g+(d).inp 045140120.td-b3lyp_6-31g+(d).log.xz

045140120.td-b3lyp_6-31+g(d).qchem.inp (generated)

045140120.td-b3lyp_6-31+g(d).gjf (generated)

045140120.td-b3lyp_6-31+g(d).firefly.inp (generated)

045140120.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045140120.mol 045140120.PUBCHEM 045140120.mol (via Jmol)
045140124.b3lyp_6-31g(d).inp

045140124.b3lyp_6-31g(d).qchem.inp (generated)

045140124.b3lyp_6-31g(d).gjf (generated)

045140124.b3lyp_6-31g(d).firefly.inp (generated)

045140124.b3lyp_6-31g(d).smash.inp (generated)

045140124.b3lyp_6-31g(d).nwchem.inp (generated) 045140124.b3lyp_6-31g(d).log.xz 045140124.td-b3lyp_6-31g+(d).inp 045140124.td-b3lyp_6-31g+(d).log.xz

045140124.td-b3lyp_6-31+g(d).qchem.inp (generated)

045140124.td-b3lyp_6-31+g(d).gjf (generated)

045140124.td-b3lyp_6-31+g(d).firefly.inp (generated)

045140124.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045140124.mol 045140124.PUBCHEM 045140124.mol (via Jmol)
045140126.b3lyp_6-31g(d).inp

045140126.b3lyp_6-31g(d).qchem.inp (generated)

045140126.b3lyp_6-31g(d).gjf (generated)

045140126.b3lyp_6-31g(d).firefly.inp (generated)

045140126.b3lyp_6-31g(d).smash.inp (generated)

045140126.b3lyp_6-31g(d).nwchem.inp (generated) 045140126.b3lyp_6-31g(d).log.xz 045140126.td-b3lyp_6-31g+(d).inp 045140126.td-b3lyp_6-31g+(d).log.xz

045140126.td-b3lyp_6-31+g(d).qchem.inp (generated)

045140126.td-b3lyp_6-31+g(d).gjf (generated)

045140126.td-b3lyp_6-31+g(d).firefly.inp (generated)

045140126.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045140126.mol 045140126.PUBCHEM 045140126.mol (via Jmol)
045140127.b3lyp_6-31g(d).inp

045140127.b3lyp_6-31g(d).qchem.inp (generated)

045140127.b3lyp_6-31g(d).gjf (generated)

045140127.b3lyp_6-31g(d).firefly.inp (generated)

045140127.b3lyp_6-31g(d).smash.inp (generated)

045140127.b3lyp_6-31g(d).nwchem.inp (generated) 045140127.b3lyp_6-31g(d).log.xz 045140127.td-b3lyp_6-31g+(d).inp 045140127.td-b3lyp_6-31g+(d).log.xz

045140127.td-b3lyp_6-31+g(d).qchem.inp (generated)

045140127.td-b3lyp_6-31+g(d).gjf (generated)

045140127.td-b3lyp_6-31+g(d).firefly.inp (generated)

045140127.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045140127.mol 045140127.PUBCHEM 045140127.mol (via Jmol)
045140128.b3lyp_6-31g(d).inp

045140128.b3lyp_6-31g(d).qchem.inp (generated)

045140128.b3lyp_6-31g(d).gjf (generated)

045140128.b3lyp_6-31g(d).firefly.inp (generated)

045140128.b3lyp_6-31g(d).smash.inp (generated)

045140128.b3lyp_6-31g(d).nwchem.inp (generated) 045140128.b3lyp_6-31g(d).log.xz 045140128.td-b3lyp_6-31g+(d).inp 045140128.td-b3lyp_6-31g+(d).log.xz

045140128.td-b3lyp_6-31+g(d).qchem.inp (generated)

045140128.td-b3lyp_6-31+g(d).gjf (generated)

045140128.td-b3lyp_6-31+g(d).firefly.inp (generated)

045140128.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045140128.mol 045140128.PUBCHEM 045140128.mol (via Jmol)
045140129.b3lyp_6-31g(d).inp

045140129.b3lyp_6-31g(d).qchem.inp (generated)

045140129.b3lyp_6-31g(d).gjf (generated)

045140129.b3lyp_6-31g(d).firefly.inp (generated)

045140129.b3lyp_6-31g(d).smash.inp (generated)

045140129.b3lyp_6-31g(d).nwchem.inp (generated) 045140129.b3lyp_6-31g(d).log.xz 045140129.td-b3lyp_6-31g+(d).inp 045140129.td-b3lyp_6-31g+(d).log.xz

045140129.td-b3lyp_6-31+g(d).qchem.inp (generated)

045140129.td-b3lyp_6-31+g(d).gjf (generated)

045140129.td-b3lyp_6-31+g(d).firefly.inp (generated)

045140129.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045140129.mol 045140129.PUBCHEM 045140129.mol (via Jmol)
045140206.b3lyp_6-31g(d).inp

045140206.b3lyp_6-31g(d).qchem.inp (generated)

045140206.b3lyp_6-31g(d).gjf (generated)

045140206.b3lyp_6-31g(d).firefly.inp (generated)

045140206.b3lyp_6-31g(d).smash.inp (generated)

045140206.b3lyp_6-31g(d).nwchem.inp (generated) 045140206.b3lyp_6-31g(d).log.xz 045140206.td-b3lyp_6-31g+(d).inp 045140206.td-b3lyp_6-31g+(d).log.xz

045140206.td-b3lyp_6-31+g(d).qchem.inp (generated)

045140206.td-b3lyp_6-31+g(d).gjf (generated)

045140206.td-b3lyp_6-31+g(d).firefly.inp (generated)

045140206.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045140206.mol 045140206.PUBCHEM 045140206.mol (via Jmol)
045140208.b3lyp_6-31g(d).inp

045140208.b3lyp_6-31g(d).qchem.inp (generated)

045140208.b3lyp_6-31g(d).gjf (generated)

045140208.b3lyp_6-31g(d).firefly.inp (generated)

045140208.b3lyp_6-31g(d).smash.inp (generated)

045140208.b3lyp_6-31g(d).nwchem.inp (generated) 045140208.b3lyp_6-31g(d).log.xz 045140208.td-b3lyp_6-31g+(d).inp 045140208.td-b3lyp_6-31g+(d).log.xz

045140208.td-b3lyp_6-31+g(d).qchem.inp (generated)

045140208.td-b3lyp_6-31+g(d).gjf (generated)

045140208.td-b3lyp_6-31+g(d).firefly.inp (generated)

045140208.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045140208.mol 045140208.PUBCHEM 045140208.mol (via Jmol)
045140209.b3lyp_6-31g(d).inp

045140209.b3lyp_6-31g(d).qchem.inp (generated)

045140209.b3lyp_6-31g(d).gjf (generated)

045140209.b3lyp_6-31g(d).firefly.inp (generated)

045140209.b3lyp_6-31g(d).smash.inp (generated)

045140209.b3lyp_6-31g(d).nwchem.inp (generated) 045140209.b3lyp_6-31g(d).log.xz 045140209.td-b3lyp_6-31g+(d).inp 045140209.td-b3lyp_6-31g+(d).log.xz

045140209.td-b3lyp_6-31+g(d).qchem.inp (generated)

045140209.td-b3lyp_6-31+g(d).gjf (generated)

045140209.td-b3lyp_6-31+g(d).firefly.inp (generated)

045140209.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045140209.mol 045140209.PUBCHEM 045140209.mol (via Jmol)
045140254.b3lyp_6-31g(d).inp

045140254.b3lyp_6-31g(d).qchem.inp (generated)

045140254.b3lyp_6-31g(d).gjf (generated)

045140254.b3lyp_6-31g(d).firefly.inp (generated)

045140254.b3lyp_6-31g(d).smash.inp (generated)

045140254.b3lyp_6-31g(d).nwchem.inp (generated) 045140254.b3lyp_6-31g(d).log.xz 045140254.td-b3lyp_6-31g+(d).inp 045140254.td-b3lyp_6-31g+(d).log.xz

045140254.td-b3lyp_6-31+g(d).qchem.inp (generated)

045140254.td-b3lyp_6-31+g(d).gjf (generated)

045140254.td-b3lyp_6-31+g(d).firefly.inp (generated)

045140254.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045140254.mol 045140254.PUBCHEM 045140254.mol (via Jmol)
045140299.b3lyp_6-31g(d).inp

045140299.b3lyp_6-31g(d).qchem.inp (generated)

045140299.b3lyp_6-31g(d).gjf (generated)

045140299.b3lyp_6-31g(d).firefly.inp (generated)

045140299.b3lyp_6-31g(d).smash.inp (generated)

045140299.b3lyp_6-31g(d).nwchem.inp (generated) 045140299.b3lyp_6-31g(d).log.xz 045140299.td-b3lyp_6-31g+(d).inp 045140299.td-b3lyp_6-31g+(d).log.xz

045140299.td-b3lyp_6-31+g(d).qchem.inp (generated)

045140299.td-b3lyp_6-31+g(d).gjf (generated)

045140299.td-b3lyp_6-31+g(d).firefly.inp (generated)

045140299.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045140299.mol 045140299.PUBCHEM 045140299.mol (via Jmol)
045140300.b3lyp_6-31g(d).inp

045140300.b3lyp_6-31g(d).qchem.inp (generated)

045140300.b3lyp_6-31g(d).gjf (generated)

045140300.b3lyp_6-31g(d).firefly.inp (generated)

045140300.b3lyp_6-31g(d).smash.inp (generated)

045140300.b3lyp_6-31g(d).nwchem.inp (generated) 045140300.b3lyp_6-31g(d).log.xz 045140300.td-b3lyp_6-31g+(d).inp 045140300.td-b3lyp_6-31g+(d).log.xz

045140300.td-b3lyp_6-31+g(d).qchem.inp (generated)

045140300.td-b3lyp_6-31+g(d).gjf (generated)

045140300.td-b3lyp_6-31+g(d).firefly.inp (generated)

045140300.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045140300.mol 045140300.PUBCHEM 045140300.mol (via Jmol)
045140327.b3lyp_6-31g(d).inp

045140327.b3lyp_6-31g(d).qchem.inp (generated)

045140327.b3lyp_6-31g(d).gjf (generated)

045140327.b3lyp_6-31g(d).firefly.inp (generated)

045140327.b3lyp_6-31g(d).smash.inp (generated)

045140327.b3lyp_6-31g(d).nwchem.inp (generated) 045140327.b3lyp_6-31g(d).log.xz 045140327.td-b3lyp_6-31g+(d).inp 045140327.td-b3lyp_6-31g+(d).log.xz

045140327.td-b3lyp_6-31+g(d).qchem.inp (generated)

045140327.td-b3lyp_6-31+g(d).gjf (generated)

045140327.td-b3lyp_6-31+g(d).firefly.inp (generated)

045140327.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045140327.mol 045140327.PUBCHEM 045140327.mol (via Jmol)
045140328.b3lyp_6-31g(d).inp

045140328.b3lyp_6-31g(d).qchem.inp (generated)

045140328.b3lyp_6-31g(d).gjf (generated)

045140328.b3lyp_6-31g(d).firefly.inp (generated)

045140328.b3lyp_6-31g(d).smash.inp (generated)

045140328.b3lyp_6-31g(d).nwchem.inp (generated) 045140328.b3lyp_6-31g(d).log.xz 045140328.mol 045140328.PUBCHEM 045140328.mol (via Jmol)
045140356.b3lyp_6-31g(d).inp

045140356.b3lyp_6-31g(d).qchem.inp (generated)

045140356.b3lyp_6-31g(d).gjf (generated)

045140356.b3lyp_6-31g(d).firefly.inp (generated)

045140356.b3lyp_6-31g(d).smash.inp (generated)

045140356.b3lyp_6-31g(d).nwchem.inp (generated) 045140356.b3lyp_6-31g(d).log.xz 045140356.td-b3lyp_6-31g+(d).inp 045140356.td-b3lyp_6-31g+(d).log.xz

045140356.td-b3lyp_6-31+g(d).qchem.inp (generated)

045140356.td-b3lyp_6-31+g(d).gjf (generated)

045140356.td-b3lyp_6-31+g(d).firefly.inp (generated)

045140356.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045140356.mol 045140356.PUBCHEM 045140356.mol (via Jmol)
045140358.b3lyp_6-31g(d).inp

045140358.b3lyp_6-31g(d).qchem.inp (generated)

045140358.b3lyp_6-31g(d).gjf (generated)

045140358.b3lyp_6-31g(d).firefly.inp (generated)

045140358.b3lyp_6-31g(d).smash.inp (generated)

045140358.b3lyp_6-31g(d).nwchem.inp (generated) 045140358.b3lyp_6-31g(d).log.xz 045140358.td-b3lyp_6-31g+(d).inp 045140358.td-b3lyp_6-31g+(d).log.xz

045140358.td-b3lyp_6-31+g(d).qchem.inp (generated)

045140358.td-b3lyp_6-31+g(d).gjf (generated)

045140358.td-b3lyp_6-31+g(d).firefly.inp (generated)

045140358.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045140358.mol 045140358.PUBCHEM 045140358.mol (via Jmol)
045140425.b3lyp_6-31g(d).inp

045140425.b3lyp_6-31g(d).qchem.inp (generated)

045140425.b3lyp_6-31g(d).gjf (generated)

045140425.b3lyp_6-31g(d).firefly.inp (generated)

045140425.b3lyp_6-31g(d).smash.inp (generated)

045140425.b3lyp_6-31g(d).nwchem.inp (generated) 045140425.b3lyp_6-31g(d).log.xz 045140425.td-b3lyp_6-31g+(d).inp 045140425.td-b3lyp_6-31g+(d).log.xz

045140425.td-b3lyp_6-31+g(d).qchem.inp (generated)

045140425.td-b3lyp_6-31+g(d).gjf (generated)

045140425.td-b3lyp_6-31+g(d).firefly.inp (generated)

045140425.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045140425.mol 045140425.PUBCHEM 045140425.mol (via Jmol)
045140426.b3lyp_6-31g(d).inp

045140426.b3lyp_6-31g(d).qchem.inp (generated)

045140426.b3lyp_6-31g(d).gjf (generated)

045140426.b3lyp_6-31g(d).firefly.inp (generated)

045140426.b3lyp_6-31g(d).smash.inp (generated)

045140426.b3lyp_6-31g(d).nwchem.inp (generated) 045140426.b3lyp_6-31g(d).log.xz 045140426.mol 045140426.PUBCHEM 045140426.mol (via Jmol)
045140428.b3lyp_6-31g(d).inp

045140428.b3lyp_6-31g(d).qchem.inp (generated)

045140428.b3lyp_6-31g(d).gjf (generated)

045140428.b3lyp_6-31g(d).firefly.inp (generated)

045140428.b3lyp_6-31g(d).smash.inp (generated)

045140428.b3lyp_6-31g(d).nwchem.inp (generated) 045140428.b3lyp_6-31g(d).log.xz 045140428.td-b3lyp_6-31g+(d).inp 045140428.td-b3lyp_6-31g+(d).log.xz

045140428.td-b3lyp_6-31+g(d).qchem.inp (generated)

045140428.td-b3lyp_6-31+g(d).gjf (generated)

045140428.td-b3lyp_6-31+g(d).firefly.inp (generated)

045140428.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045140428.mol 045140428.PUBCHEM 045140428.mol (via Jmol)
045140429.b3lyp_6-31g(d).inp

045140429.b3lyp_6-31g(d).qchem.inp (generated)

045140429.b3lyp_6-31g(d).gjf (generated)

045140429.b3lyp_6-31g(d).firefly.inp (generated)

045140429.b3lyp_6-31g(d).smash.inp (generated)

045140429.b3lyp_6-31g(d).nwchem.inp (generated) 045140429.b3lyp_6-31g(d).log.xz 045140429.td-b3lyp_6-31g+(d).inp 045140429.td-b3lyp_6-31g+(d).log.xz

045140429.td-b3lyp_6-31+g(d).qchem.inp (generated)

045140429.td-b3lyp_6-31+g(d).gjf (generated)

045140429.td-b3lyp_6-31+g(d).firefly.inp (generated)

045140429.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045140429.mol 045140429.PUBCHEM 045140429.mol (via Jmol)
045140483.b3lyp_6-31g(d).inp

045140483.b3lyp_6-31g(d).qchem.inp (generated)

045140483.b3lyp_6-31g(d).gjf (generated)

045140483.b3lyp_6-31g(d).firefly.inp (generated)

045140483.b3lyp_6-31g(d).smash.inp (generated)

045140483.b3lyp_6-31g(d).nwchem.inp (generated) 045140483.b3lyp_6-31g(d).log.xz 045140483.td-b3lyp_6-31g+(d).inp 045140483.td-b3lyp_6-31g+(d).log.xz

045140483.td-b3lyp_6-31+g(d).qchem.inp (generated)

045140483.td-b3lyp_6-31+g(d).gjf (generated)

045140483.td-b3lyp_6-31+g(d).firefly.inp (generated)

045140483.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045140483.mol 045140483.PUBCHEM 045140483.mol (via Jmol)
045140491.b3lyp_6-31g(d).inp

045140491.b3lyp_6-31g(d).qchem.inp (generated)

045140491.b3lyp_6-31g(d).gjf (generated)

045140491.b3lyp_6-31g(d).firefly.inp (generated)

045140491.b3lyp_6-31g(d).smash.inp (generated)

045140491.b3lyp_6-31g(d).nwchem.inp (generated) 045140491.b3lyp_6-31g(d).log.xz 045140491.td-b3lyp_6-31g+(d).inp 045140491.td-b3lyp_6-31g+(d).log.xz

045140491.td-b3lyp_6-31+g(d).qchem.inp (generated)

045140491.td-b3lyp_6-31+g(d).gjf (generated)

045140491.td-b3lyp_6-31+g(d).firefly.inp (generated)

045140491.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045140491.mol 045140491.PUBCHEM 045140491.mol (via Jmol)
045140516.b3lyp_6-31g(d).inp

045140516.b3lyp_6-31g(d).qchem.inp (generated)

045140516.b3lyp_6-31g(d).gjf (generated)

045140516.b3lyp_6-31g(d).firefly.inp (generated)

045140516.b3lyp_6-31g(d).smash.inp (generated)

045140516.b3lyp_6-31g(d).nwchem.inp (generated) 045140516.b3lyp_6-31g(d).log.xz 045140516.mol 045140516.PUBCHEM 045140516.mol (via Jmol)
045140519.b3lyp_6-31g(d).inp

045140519.b3lyp_6-31g(d).qchem.inp (generated)

045140519.b3lyp_6-31g(d).gjf (generated)

045140519.b3lyp_6-31g(d).firefly.inp (generated)

045140519.b3lyp_6-31g(d).smash.inp (generated)

045140519.b3lyp_6-31g(d).nwchem.inp (generated) 045140519.b3lyp_6-31g(d).log.xz 045140519.mol 045140519.PUBCHEM 045140519.mol (via Jmol)
045140522.b3lyp_6-31g(d).inp

045140522.b3lyp_6-31g(d).qchem.inp (generated)

045140522.b3lyp_6-31g(d).gjf (generated)

045140522.b3lyp_6-31g(d).firefly.inp (generated)

045140522.b3lyp_6-31g(d).smash.inp (generated)

045140522.b3lyp_6-31g(d).nwchem.inp (generated) 045140522.b3lyp_6-31g(d).log.xz 045140522.mol 045140522.PUBCHEM 045140522.mol (via Jmol)
045140630.b3lyp_6-31g(d).inp

045140630.b3lyp_6-31g(d).qchem.inp (generated)

045140630.b3lyp_6-31g(d).gjf (generated)

045140630.b3lyp_6-31g(d).firefly.inp (generated)

045140630.b3lyp_6-31g(d).smash.inp (generated)

045140630.b3lyp_6-31g(d).nwchem.inp (generated) 045140630.b3lyp_6-31g(d).log.xz 045140630.td-b3lyp_6-31g+(d).inp 045140630.td-b3lyp_6-31g+(d).log.xz

045140630.td-b3lyp_6-31+g(d).qchem.inp (generated)

045140630.td-b3lyp_6-31+g(d).gjf (generated)

045140630.td-b3lyp_6-31+g(d).firefly.inp (generated)

045140630.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045140630.mol 045140630.PUBCHEM 045140630.mol (via Jmol)
045140632.b3lyp_6-31g(d).inp

045140632.b3lyp_6-31g(d).qchem.inp (generated)

045140632.b3lyp_6-31g(d).gjf (generated)

045140632.b3lyp_6-31g(d).firefly.inp (generated)

045140632.b3lyp_6-31g(d).smash.inp (generated)

045140632.b3lyp_6-31g(d).nwchem.inp (generated) 045140632.b3lyp_6-31g(d).log.xz 045140632.td-b3lyp_6-31g+(d).inp 045140632.td-b3lyp_6-31g+(d).log.xz

045140632.td-b3lyp_6-31+g(d).qchem.inp (generated)

045140632.td-b3lyp_6-31+g(d).gjf (generated)

045140632.td-b3lyp_6-31+g(d).firefly.inp (generated)

045140632.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045140632.mol 045140632.PUBCHEM 045140632.mol (via Jmol)
045140643.b3lyp_6-31g(d).inp

045140643.b3lyp_6-31g(d).qchem.inp (generated)

045140643.b3lyp_6-31g(d).gjf (generated)

045140643.b3lyp_6-31g(d).firefly.inp (generated)

045140643.b3lyp_6-31g(d).smash.inp (generated)

045140643.b3lyp_6-31g(d).nwchem.inp (generated) 045140643.b3lyp_6-31g(d).log.xz 045140643.mol 045140643.PUBCHEM 045140643.mol (via Jmol)
045140644.b3lyp_6-31g(d).inp

045140644.b3lyp_6-31g(d).qchem.inp (generated)

045140644.b3lyp_6-31g(d).gjf (generated)

045140644.b3lyp_6-31g(d).firefly.inp (generated)

045140644.b3lyp_6-31g(d).smash.inp (generated)

045140644.b3lyp_6-31g(d).nwchem.inp (generated) 045140644.b3lyp_6-31g(d).log.xz 045140644.td-b3lyp_6-31g+(d).inp 045140644.td-b3lyp_6-31g+(d).log.xz

045140644.td-b3lyp_6-31+g(d).qchem.inp (generated)

045140644.td-b3lyp_6-31+g(d).gjf (generated)

045140644.td-b3lyp_6-31+g(d).firefly.inp (generated)

045140644.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045140644.mol 045140644.PUBCHEM 045140644.mol (via Jmol)
045140671.b3lyp_6-31g(d).inp

045140671.b3lyp_6-31g(d).qchem.inp (generated)

045140671.b3lyp_6-31g(d).gjf (generated)

045140671.b3lyp_6-31g(d).firefly.inp (generated)

045140671.b3lyp_6-31g(d).smash.inp (generated)

045140671.b3lyp_6-31g(d).nwchem.inp (generated) 045140671.b3lyp_6-31g(d).log.xz 045140671.td-b3lyp_6-31g+(d).inp 045140671.td-b3lyp_6-31g+(d).log.xz

045140671.td-b3lyp_6-31+g(d).qchem.inp (generated)

045140671.td-b3lyp_6-31+g(d).gjf (generated)

045140671.td-b3lyp_6-31+g(d).firefly.inp (generated)

045140671.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045140671.mol 045140671.PUBCHEM 045140671.mol (via Jmol)
045140672.b3lyp_6-31g(d).inp

045140672.b3lyp_6-31g(d).qchem.inp (generated)

045140672.b3lyp_6-31g(d).gjf (generated)

045140672.b3lyp_6-31g(d).firefly.inp (generated)

045140672.b3lyp_6-31g(d).smash.inp (generated)

045140672.b3lyp_6-31g(d).nwchem.inp (generated) 045140672.b3lyp_6-31g(d).log.xz 045140672.td-b3lyp_6-31g+(d).inp 045140672.td-b3lyp_6-31g+(d).log.xz

045140672.td-b3lyp_6-31+g(d).qchem.inp (generated)

045140672.td-b3lyp_6-31+g(d).gjf (generated)

045140672.td-b3lyp_6-31+g(d).firefly.inp (generated)

045140672.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045140672.mol 045140672.PUBCHEM 045140672.mol (via Jmol)
045140680.b3lyp_6-31g(d).inp

045140680.b3lyp_6-31g(d).qchem.inp (generated)

045140680.b3lyp_6-31g(d).gjf (generated)

045140680.b3lyp_6-31g(d).firefly.inp (generated)

045140680.b3lyp_6-31g(d).smash.inp (generated)

045140680.b3lyp_6-31g(d).nwchem.inp (generated) 045140680.b3lyp_6-31g(d).log.xz 045140680.td-b3lyp_6-31g+(d).inp 045140680.td-b3lyp_6-31g+(d).log.xz

045140680.td-b3lyp_6-31+g(d).qchem.inp (generated)

045140680.td-b3lyp_6-31+g(d).gjf (generated)

045140680.td-b3lyp_6-31+g(d).firefly.inp (generated)

045140680.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045140680.mol 045140680.PUBCHEM 045140680.mol (via Jmol)
045140683.b3lyp_6-31g(d).inp

045140683.b3lyp_6-31g(d).qchem.inp (generated)

045140683.b3lyp_6-31g(d).gjf (generated)

045140683.b3lyp_6-31g(d).firefly.inp (generated)

045140683.b3lyp_6-31g(d).smash.inp (generated)

045140683.b3lyp_6-31g(d).nwchem.inp (generated) 045140683.b3lyp_6-31g(d).log.xz 045140683.td-b3lyp_6-31g+(d).inp 045140683.td-b3lyp_6-31g+(d).log.xz

045140683.td-b3lyp_6-31+g(d).qchem.inp (generated)

045140683.td-b3lyp_6-31+g(d).gjf (generated)

045140683.td-b3lyp_6-31+g(d).firefly.inp (generated)

045140683.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045140683.mol 045140683.PUBCHEM 045140683.mol (via Jmol)
045140691.b3lyp_6-31g(d).inp

045140691.b3lyp_6-31g(d).qchem.inp (generated)

045140691.b3lyp_6-31g(d).gjf (generated)

045140691.b3lyp_6-31g(d).firefly.inp (generated)

045140691.b3lyp_6-31g(d).smash.inp (generated)

045140691.b3lyp_6-31g(d).nwchem.inp (generated) 045140691.b3lyp_6-31g(d).log.xz 045140691.td-b3lyp_6-31g+(d).inp 045140691.td-b3lyp_6-31g+(d).log.xz

045140691.td-b3lyp_6-31+g(d).qchem.inp (generated)

045140691.td-b3lyp_6-31+g(d).gjf (generated)

045140691.td-b3lyp_6-31+g(d).firefly.inp (generated)

045140691.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045140691.mol 045140691.PUBCHEM 045140691.mol (via Jmol)
045140698.b3lyp_6-31g(d).inp

045140698.b3lyp_6-31g(d).qchem.inp (generated)

045140698.b3lyp_6-31g(d).gjf (generated)

045140698.b3lyp_6-31g(d).firefly.inp (generated)

045140698.b3lyp_6-31g(d).smash.inp (generated)

045140698.b3lyp_6-31g(d).nwchem.inp (generated) 045140698.b3lyp_6-31g(d).log.xz 045140698.td-b3lyp_6-31g+(d).inp 045140698.td-b3lyp_6-31g+(d).log.xz

045140698.td-b3lyp_6-31+g(d).qchem.inp (generated)

045140698.td-b3lyp_6-31+g(d).gjf (generated)

045140698.td-b3lyp_6-31+g(d).firefly.inp (generated)

045140698.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045140698.mol 045140698.PUBCHEM 045140698.mol (via Jmol)
045140772.b3lyp_6-31g(d).inp

045140772.b3lyp_6-31g(d).qchem.inp (generated)

045140772.b3lyp_6-31g(d).gjf (generated)

045140772.b3lyp_6-31g(d).firefly.inp (generated)

045140772.b3lyp_6-31g(d).smash.inp (generated)

045140772.b3lyp_6-31g(d).nwchem.inp (generated) 045140772.b3lyp_6-31g(d).log.xz 045140772.td-b3lyp_6-31g+(d).inp 045140772.td-b3lyp_6-31g+(d).log.xz

045140772.td-b3lyp_6-31+g(d).qchem.inp (generated)

045140772.td-b3lyp_6-31+g(d).gjf (generated)

045140772.td-b3lyp_6-31+g(d).firefly.inp (generated)

045140772.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045140772.mol 045140772.PUBCHEM 045140772.mol (via Jmol)
045140807.b3lyp_6-31g(d).inp

045140807.b3lyp_6-31g(d).qchem.inp (generated)

045140807.b3lyp_6-31g(d).gjf (generated)

045140807.b3lyp_6-31g(d).firefly.inp (generated)

045140807.b3lyp_6-31g(d).smash.inp (generated)

045140807.b3lyp_6-31g(d).nwchem.inp (generated) 045140807.b3lyp_6-31g(d).log.xz 045140807.td-b3lyp_6-31g+(d).inp 045140807.td-b3lyp_6-31g+(d).log.xz

045140807.td-b3lyp_6-31+g(d).qchem.inp (generated)

045140807.td-b3lyp_6-31+g(d).gjf (generated)

045140807.td-b3lyp_6-31+g(d).firefly.inp (generated)

045140807.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045140807.mol 045140807.PUBCHEM 045140807.mol (via Jmol)
045140808.b3lyp_6-31g(d).inp

045140808.b3lyp_6-31g(d).qchem.inp (generated)

045140808.b3lyp_6-31g(d).gjf (generated)

045140808.b3lyp_6-31g(d).firefly.inp (generated)

045140808.b3lyp_6-31g(d).smash.inp (generated)

045140808.b3lyp_6-31g(d).nwchem.inp (generated) 045140808.b3lyp_6-31g(d).log.xz 045140808.mol 045140808.PUBCHEM 045140808.mol (via Jmol)
045140824.b3lyp_6-31g(d).inp

045140824.b3lyp_6-31g(d).qchem.inp (generated)

045140824.b3lyp_6-31g(d).gjf (generated)

045140824.b3lyp_6-31g(d).firefly.inp (generated)

045140824.b3lyp_6-31g(d).smash.inp (generated)

045140824.b3lyp_6-31g(d).nwchem.inp (generated) 045140824.b3lyp_6-31g(d).log.xz 045140824.td-b3lyp_6-31g+(d).inp 045140824.td-b3lyp_6-31g+(d).log.xz

045140824.td-b3lyp_6-31+g(d).qchem.inp (generated)

045140824.td-b3lyp_6-31+g(d).gjf (generated)

045140824.td-b3lyp_6-31+g(d).firefly.inp (generated)

045140824.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045140824.mol 045140824.PUBCHEM 045140824.mol (via Jmol)
045140825.b3lyp_6-31g(d).inp

045140825.b3lyp_6-31g(d).qchem.inp (generated)

045140825.b3lyp_6-31g(d).gjf (generated)

045140825.b3lyp_6-31g(d).firefly.inp (generated)

045140825.b3lyp_6-31g(d).smash.inp (generated)

045140825.b3lyp_6-31g(d).nwchem.inp (generated) 045140825.b3lyp_6-31g(d).log.xz 045140825.td-b3lyp_6-31g+(d).inp 045140825.td-b3lyp_6-31g+(d).log.xz

045140825.td-b3lyp_6-31+g(d).qchem.inp (generated)

045140825.td-b3lyp_6-31+g(d).gjf (generated)

045140825.td-b3lyp_6-31+g(d).firefly.inp (generated)

045140825.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045140825.mol 045140825.PUBCHEM 045140825.mol (via Jmol)
045140826.b3lyp_6-31g(d).inp

045140826.b3lyp_6-31g(d).qchem.inp (generated)

045140826.b3lyp_6-31g(d).gjf (generated)

045140826.b3lyp_6-31g(d).firefly.inp (generated)

045140826.b3lyp_6-31g(d).smash.inp (generated)

045140826.b3lyp_6-31g(d).nwchem.inp (generated) 045140826.b3lyp_6-31g(d).log.xz 045140826.td-b3lyp_6-31g+(d).inp 045140826.td-b3lyp_6-31g+(d).log.xz

045140826.td-b3lyp_6-31+g(d).qchem.inp (generated)

045140826.td-b3lyp_6-31+g(d).gjf (generated)

045140826.td-b3lyp_6-31+g(d).firefly.inp (generated)

045140826.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045140826.mol 045140826.PUBCHEM 045140826.mol (via Jmol)
045140828.b3lyp_6-31g(d).inp

045140828.b3lyp_6-31g(d).qchem.inp (generated)

045140828.b3lyp_6-31g(d).gjf (generated)

045140828.b3lyp_6-31g(d).firefly.inp (generated)

045140828.b3lyp_6-31g(d).smash.inp (generated)

045140828.b3lyp_6-31g(d).nwchem.inp (generated) 045140828.b3lyp_6-31g(d).log.xz 045140828.td-b3lyp_6-31g+(d).inp 045140828.td-b3lyp_6-31g+(d).log.xz

045140828.td-b3lyp_6-31+g(d).qchem.inp (generated)

045140828.td-b3lyp_6-31+g(d).gjf (generated)

045140828.td-b3lyp_6-31+g(d).firefly.inp (generated)

045140828.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045140828.mol 045140828.PUBCHEM 045140828.mol (via Jmol)
045140838.b3lyp_6-31g(d).inp

045140838.b3lyp_6-31g(d).qchem.inp (generated)

045140838.b3lyp_6-31g(d).gjf (generated)

045140838.b3lyp_6-31g(d).firefly.inp (generated)

045140838.b3lyp_6-31g(d).smash.inp (generated)

045140838.b3lyp_6-31g(d).nwchem.inp (generated) 045140838.b3lyp_6-31g(d).log.xz 045140838.td-b3lyp_6-31g+(d).inp 045140838.td-b3lyp_6-31g+(d).log.xz

045140838.td-b3lyp_6-31+g(d).qchem.inp (generated)

045140838.td-b3lyp_6-31+g(d).gjf (generated)

045140838.td-b3lyp_6-31+g(d).firefly.inp (generated)

045140838.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045140838.mol 045140838.PUBCHEM 045140838.mol (via Jmol)
045140840.b3lyp_6-31g(d).inp

045140840.b3lyp_6-31g(d).qchem.inp (generated)

045140840.b3lyp_6-31g(d).gjf (generated)

045140840.b3lyp_6-31g(d).firefly.inp (generated)

045140840.b3lyp_6-31g(d).smash.inp (generated)

045140840.b3lyp_6-31g(d).nwchem.inp (generated) 045140840.b3lyp_6-31g(d).log.xz 045140840.td-b3lyp_6-31g+(d).inp 045140840.td-b3lyp_6-31g+(d).log.xz

045140840.td-b3lyp_6-31+g(d).qchem.inp (generated)

045140840.td-b3lyp_6-31+g(d).gjf (generated)

045140840.td-b3lyp_6-31+g(d).firefly.inp (generated)

045140840.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045140840.mol 045140840.PUBCHEM 045140840.mol (via Jmol)
045140871.b3lyp_6-31g(d).inp

045140871.b3lyp_6-31g(d).qchem.inp (generated)

045140871.b3lyp_6-31g(d).gjf (generated)

045140871.b3lyp_6-31g(d).firefly.inp (generated)

045140871.b3lyp_6-31g(d).smash.inp (generated)

045140871.b3lyp_6-31g(d).nwchem.inp (generated) 045140871.b3lyp_6-31g(d).log.xz 045140871.td-b3lyp_6-31g+(d).inp 045140871.td-b3lyp_6-31g+(d).log.xz

045140871.td-b3lyp_6-31+g(d).qchem.inp (generated)

045140871.td-b3lyp_6-31+g(d).gjf (generated)

045140871.td-b3lyp_6-31+g(d).firefly.inp (generated)

045140871.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045140871.mol 045140871.PUBCHEM 045140871.mol (via Jmol)
045140873.b3lyp_6-31g(d).inp

045140873.b3lyp_6-31g(d).qchem.inp (generated)

045140873.b3lyp_6-31g(d).gjf (generated)

045140873.b3lyp_6-31g(d).firefly.inp (generated)

045140873.b3lyp_6-31g(d).smash.inp (generated)

045140873.b3lyp_6-31g(d).nwchem.inp (generated) 045140873.b3lyp_6-31g(d).log.xz 045140873.td-b3lyp_6-31g+(d).inp 045140873.td-b3lyp_6-31g+(d).log.xz

045140873.td-b3lyp_6-31+g(d).qchem.inp (generated)

045140873.td-b3lyp_6-31+g(d).gjf (generated)

045140873.td-b3lyp_6-31+g(d).firefly.inp (generated)

045140873.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045140873.mol 045140873.PUBCHEM 045140873.mol (via Jmol)
045140877.b3lyp_6-31g(d).inp

045140877.b3lyp_6-31g(d).qchem.inp (generated)

045140877.b3lyp_6-31g(d).gjf (generated)

045140877.b3lyp_6-31g(d).firefly.inp (generated)

045140877.b3lyp_6-31g(d).smash.inp (generated)

045140877.b3lyp_6-31g(d).nwchem.inp (generated) 045140877.b3lyp_6-31g(d).log.xz 045140877.td-b3lyp_6-31g+(d).inp 045140877.td-b3lyp_6-31g+(d).log.xz

045140877.td-b3lyp_6-31+g(d).qchem.inp (generated)

045140877.td-b3lyp_6-31+g(d).gjf (generated)

045140877.td-b3lyp_6-31+g(d).firefly.inp (generated)

045140877.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045140877.mol 045140877.PUBCHEM 045140877.mol (via Jmol)
045140878.b3lyp_6-31g(d).inp

045140878.b3lyp_6-31g(d).qchem.inp (generated)

045140878.b3lyp_6-31g(d).gjf (generated)

045140878.b3lyp_6-31g(d).firefly.inp (generated)

045140878.b3lyp_6-31g(d).smash.inp (generated)

045140878.b3lyp_6-31g(d).nwchem.inp (generated) 045140878.b3lyp_6-31g(d).log.xz 045140878.td-b3lyp_6-31g+(d).inp 045140878.td-b3lyp_6-31g+(d).log.xz

045140878.td-b3lyp_6-31+g(d).qchem.inp (generated)

045140878.td-b3lyp_6-31+g(d).gjf (generated)

045140878.td-b3lyp_6-31+g(d).firefly.inp (generated)

045140878.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045140878.mol 045140878.PUBCHEM 045140878.mol (via Jmol)
045140920.b3lyp_6-31g(d).inp

045140920.b3lyp_6-31g(d).qchem.inp (generated)

045140920.b3lyp_6-31g(d).gjf (generated)

045140920.b3lyp_6-31g(d).firefly.inp (generated)

045140920.b3lyp_6-31g(d).smash.inp (generated)

045140920.b3lyp_6-31g(d).nwchem.inp (generated) 045140920.b3lyp_6-31g(d).log.xz 045140920.td-b3lyp_6-31g+(d).inp 045140920.td-b3lyp_6-31g+(d).log.xz

045140920.td-b3lyp_6-31+g(d).qchem.inp (generated)

045140920.td-b3lyp_6-31+g(d).gjf (generated)

045140920.td-b3lyp_6-31+g(d).firefly.inp (generated)

045140920.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045140920.mol 045140920.PUBCHEM 045140920.mol (via Jmol)
045141012.b3lyp_6-31g(d).inp

045141012.b3lyp_6-31g(d).qchem.inp (generated)

045141012.b3lyp_6-31g(d).gjf (generated)

045141012.b3lyp_6-31g(d).firefly.inp (generated)

045141012.b3lyp_6-31g(d).smash.inp (generated)

045141012.b3lyp_6-31g(d).nwchem.inp (generated) 045141012.b3lyp_6-31g(d).log.xz 045141012.td-b3lyp_6-31g+(d).inp 045141012.td-b3lyp_6-31g+(d).log.xz

045141012.td-b3lyp_6-31+g(d).qchem.inp (generated)

045141012.td-b3lyp_6-31+g(d).gjf (generated)

045141012.td-b3lyp_6-31+g(d).firefly.inp (generated)

045141012.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045141012.mol 045141012.PUBCHEM 045141012.mol (via Jmol)
045141026.b3lyp_6-31g(d).inp

045141026.b3lyp_6-31g(d).qchem.inp (generated)

045141026.b3lyp_6-31g(d).gjf (generated)

045141026.b3lyp_6-31g(d).firefly.inp (generated)

045141026.b3lyp_6-31g(d).smash.inp (generated)

045141026.b3lyp_6-31g(d).nwchem.inp (generated) 045141026.b3lyp_6-31g(d).log.xz 045141026.mol 045141026.PUBCHEM 045141026.mol (via Jmol)
045141052.b3lyp_6-31g(d).inp

045141052.b3lyp_6-31g(d).qchem.inp (generated)

045141052.b3lyp_6-31g(d).gjf (generated)

045141052.b3lyp_6-31g(d).firefly.inp (generated)

045141052.b3lyp_6-31g(d).smash.inp (generated)

045141052.b3lyp_6-31g(d).nwchem.inp (generated) 045141052.b3lyp_6-31g(d).log.xz 045141052.td-b3lyp_6-31g+(d).inp 045141052.td-b3lyp_6-31g+(d).log.xz

045141052.td-b3lyp_6-31+g(d).qchem.inp (generated)

045141052.td-b3lyp_6-31+g(d).gjf (generated)

045141052.td-b3lyp_6-31+g(d).firefly.inp (generated)

045141052.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045141052.mol 045141052.PUBCHEM 045141052.mol (via Jmol)
045141058.b3lyp_6-31g(d).inp

045141058.b3lyp_6-31g(d).qchem.inp (generated)

045141058.b3lyp_6-31g(d).gjf (generated)

045141058.b3lyp_6-31g(d).firefly.inp (generated)

045141058.b3lyp_6-31g(d).smash.inp (generated)

045141058.b3lyp_6-31g(d).nwchem.inp (generated) 045141058.b3lyp_6-31g(d).log.xz 045141058.td-b3lyp_6-31g+(d).inp 045141058.td-b3lyp_6-31g+(d).log.xz

045141058.td-b3lyp_6-31+g(d).qchem.inp (generated)

045141058.td-b3lyp_6-31+g(d).gjf (generated)

045141058.td-b3lyp_6-31+g(d).firefly.inp (generated)

045141058.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045141058.mol 045141058.PUBCHEM 045141058.mol (via Jmol)
045141067.b3lyp_6-31g(d).inp

045141067.b3lyp_6-31g(d).qchem.inp (generated)

045141067.b3lyp_6-31g(d).gjf (generated)

045141067.b3lyp_6-31g(d).firefly.inp (generated)

045141067.b3lyp_6-31g(d).smash.inp (generated)

045141067.b3lyp_6-31g(d).nwchem.inp (generated) 045141067.b3lyp_6-31g(d).log.xz 045141067.mol 045141067.PUBCHEM 045141067.mol (via Jmol)
045141068.b3lyp_6-31g(d).inp

045141068.b3lyp_6-31g(d).qchem.inp (generated)

045141068.b3lyp_6-31g(d).gjf (generated)

045141068.b3lyp_6-31g(d).firefly.inp (generated)

045141068.b3lyp_6-31g(d).smash.inp (generated)

045141068.b3lyp_6-31g(d).nwchem.inp (generated) 045141068.b3lyp_6-31g(d).log.xz 045141068.td-b3lyp_6-31g+(d).inp 045141068.td-b3lyp_6-31g+(d).log.xz

045141068.td-b3lyp_6-31+g(d).qchem.inp (generated)

045141068.td-b3lyp_6-31+g(d).gjf (generated)

045141068.td-b3lyp_6-31+g(d).firefly.inp (generated)

045141068.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045141068.mol 045141068.PUBCHEM 045141068.mol (via Jmol)
045141094.b3lyp_6-31g(d).inp

045141094.b3lyp_6-31g(d).qchem.inp (generated)

045141094.b3lyp_6-31g(d).gjf (generated)

045141094.b3lyp_6-31g(d).firefly.inp (generated)

045141094.b3lyp_6-31g(d).smash.inp (generated)

045141094.b3lyp_6-31g(d).nwchem.inp (generated) 045141094.b3lyp_6-31g(d).log.xz 045141094.td-b3lyp_6-31g+(d).inp 045141094.td-b3lyp_6-31g+(d).log.xz

045141094.td-b3lyp_6-31+g(d).qchem.inp (generated)

045141094.td-b3lyp_6-31+g(d).gjf (generated)

045141094.td-b3lyp_6-31+g(d).firefly.inp (generated)

045141094.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045141094.mol 045141094.PUBCHEM 045141094.mol (via Jmol)
045141115.b3lyp_6-31g(d).inp

045141115.b3lyp_6-31g(d).qchem.inp (generated)

045141115.b3lyp_6-31g(d).gjf (generated)

045141115.b3lyp_6-31g(d).firefly.inp (generated)

045141115.b3lyp_6-31g(d).smash.inp (generated)

045141115.b3lyp_6-31g(d).nwchem.inp (generated) 045141115.b3lyp_6-31g(d).log.xz 045141115.td-b3lyp_6-31g+(d).inp 045141115.td-b3lyp_6-31g+(d).log.xz

045141115.td-b3lyp_6-31+g(d).qchem.inp (generated)

045141115.td-b3lyp_6-31+g(d).gjf (generated)

045141115.td-b3lyp_6-31+g(d).firefly.inp (generated)

045141115.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045141115.mol 045141115.PUBCHEM 045141115.mol (via Jmol)
045141188.b3lyp_6-31g(d).inp

045141188.b3lyp_6-31g(d).qchem.inp (generated)

045141188.b3lyp_6-31g(d).gjf (generated)

045141188.b3lyp_6-31g(d).firefly.inp (generated)

045141188.b3lyp_6-31g(d).smash.inp (generated)

045141188.b3lyp_6-31g(d).nwchem.inp (generated) 045141188.b3lyp_6-31g(d).log.xz 045141188.mol 045141188.PUBCHEM 045141188.mol (via Jmol)
045141248.b3lyp_6-31g(d).inp

045141248.b3lyp_6-31g(d).qchem.inp (generated)

045141248.b3lyp_6-31g(d).gjf (generated)

045141248.b3lyp_6-31g(d).firefly.inp (generated)

045141248.b3lyp_6-31g(d).smash.inp (generated)

045141248.b3lyp_6-31g(d).nwchem.inp (generated) 045141248.b3lyp_6-31g(d).log.xz 045141248.td-b3lyp_6-31g+(d).inp 045141248.td-b3lyp_6-31g+(d).log.xz

045141248.td-b3lyp_6-31+g(d).qchem.inp (generated)

045141248.td-b3lyp_6-31+g(d).gjf (generated)

045141248.td-b3lyp_6-31+g(d).firefly.inp (generated)

045141248.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045141248.mol 045141248.PUBCHEM 045141248.mol (via Jmol)
045141249.b3lyp_6-31g(d).inp

045141249.b3lyp_6-31g(d).qchem.inp (generated)

045141249.b3lyp_6-31g(d).gjf (generated)

045141249.b3lyp_6-31g(d).firefly.inp (generated)

045141249.b3lyp_6-31g(d).smash.inp (generated)

045141249.b3lyp_6-31g(d).nwchem.inp (generated) 045141249.b3lyp_6-31g(d).log.xz 045141249.td-b3lyp_6-31g+(d).inp 045141249.td-b3lyp_6-31g+(d).log.xz

045141249.td-b3lyp_6-31+g(d).qchem.inp (generated)

045141249.td-b3lyp_6-31+g(d).gjf (generated)

045141249.td-b3lyp_6-31+g(d).firefly.inp (generated)

045141249.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045141249.mol 045141249.PUBCHEM 045141249.mol (via Jmol)
045141262.b3lyp_6-31g(d).inp

045141262.b3lyp_6-31g(d).qchem.inp (generated)

045141262.b3lyp_6-31g(d).gjf (generated)

045141262.b3lyp_6-31g(d).firefly.inp (generated)

045141262.b3lyp_6-31g(d).smash.inp (generated)

045141262.b3lyp_6-31g(d).nwchem.inp (generated) 045141262.b3lyp_6-31g(d).log.xz 045141262.td-b3lyp_6-31g+(d).inp 045141262.td-b3lyp_6-31g+(d).log.xz

045141262.td-b3lyp_6-31+g(d).qchem.inp (generated)

045141262.td-b3lyp_6-31+g(d).gjf (generated)

045141262.td-b3lyp_6-31+g(d).firefly.inp (generated)

045141262.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045141262.mol 045141262.PUBCHEM 045141262.mol (via Jmol)
045141264.b3lyp_6-31g(d).inp

045141264.b3lyp_6-31g(d).qchem.inp (generated)

045141264.b3lyp_6-31g(d).gjf (generated)

045141264.b3lyp_6-31g(d).firefly.inp (generated)

045141264.b3lyp_6-31g(d).smash.inp (generated)

045141264.b3lyp_6-31g(d).nwchem.inp (generated) 045141264.b3lyp_6-31g(d).log.xz 045141264.td-b3lyp_6-31g+(d).inp 045141264.td-b3lyp_6-31g+(d).log.xz

045141264.td-b3lyp_6-31+g(d).qchem.inp (generated)

045141264.td-b3lyp_6-31+g(d).gjf (generated)

045141264.td-b3lyp_6-31+g(d).firefly.inp (generated)

045141264.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045141264.mol 045141264.PUBCHEM 045141264.mol (via Jmol)
045141266.b3lyp_6-31g(d).inp

045141266.b3lyp_6-31g(d).qchem.inp (generated)

045141266.b3lyp_6-31g(d).gjf (generated)

045141266.b3lyp_6-31g(d).firefly.inp (generated)

045141266.b3lyp_6-31g(d).smash.inp (generated)

045141266.b3lyp_6-31g(d).nwchem.inp (generated) 045141266.b3lyp_6-31g(d).log.xz 045141266.td-b3lyp_6-31g+(d).inp 045141266.td-b3lyp_6-31g+(d).log.xz

045141266.td-b3lyp_6-31+g(d).qchem.inp (generated)

045141266.td-b3lyp_6-31+g(d).gjf (generated)

045141266.td-b3lyp_6-31+g(d).firefly.inp (generated)

045141266.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045141266.mol 045141266.PUBCHEM 045141266.mol (via Jmol)
045141268.b3lyp_6-31g(d).inp

045141268.b3lyp_6-31g(d).qchem.inp (generated)

045141268.b3lyp_6-31g(d).gjf (generated)

045141268.b3lyp_6-31g(d).firefly.inp (generated)

045141268.b3lyp_6-31g(d).smash.inp (generated)

045141268.b3lyp_6-31g(d).nwchem.inp (generated) 045141268.b3lyp_6-31g(d).log.xz 045141268.td-b3lyp_6-31g+(d).inp 045141268.td-b3lyp_6-31g+(d).log.xz

045141268.td-b3lyp_6-31+g(d).qchem.inp (generated)

045141268.td-b3lyp_6-31+g(d).gjf (generated)

045141268.td-b3lyp_6-31+g(d).firefly.inp (generated)

045141268.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045141268.mol 045141268.PUBCHEM 045141268.mol (via Jmol)
045141294.b3lyp_6-31g(d).inp

045141294.b3lyp_6-31g(d).qchem.inp (generated)

045141294.b3lyp_6-31g(d).gjf (generated)

045141294.b3lyp_6-31g(d).firefly.inp (generated)

045141294.b3lyp_6-31g(d).smash.inp (generated)

045141294.b3lyp_6-31g(d).nwchem.inp (generated) 045141294.b3lyp_6-31g(d).log.xz 045141294.td-b3lyp_6-31g+(d).inp 045141294.td-b3lyp_6-31g+(d).log.xz

045141294.td-b3lyp_6-31+g(d).qchem.inp (generated)

045141294.td-b3lyp_6-31+g(d).gjf (generated)

045141294.td-b3lyp_6-31+g(d).firefly.inp (generated)

045141294.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045141294.mol 045141294.PUBCHEM 045141294.mol (via Jmol)
045141299.b3lyp_6-31g(d).inp

045141299.b3lyp_6-31g(d).qchem.inp (generated)

045141299.b3lyp_6-31g(d).gjf (generated)

045141299.b3lyp_6-31g(d).firefly.inp (generated)

045141299.b3lyp_6-31g(d).smash.inp (generated)

045141299.b3lyp_6-31g(d).nwchem.inp (generated) 045141299.b3lyp_6-31g(d).log.xz 045141299.td-b3lyp_6-31g+(d).inp 045141299.td-b3lyp_6-31g+(d).log.xz

045141299.td-b3lyp_6-31+g(d).qchem.inp (generated)

045141299.td-b3lyp_6-31+g(d).gjf (generated)

045141299.td-b3lyp_6-31+g(d).firefly.inp (generated)

045141299.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045141299.mol 045141299.PUBCHEM 045141299.mol (via Jmol)
045141300.b3lyp_6-31g(d).inp

045141300.b3lyp_6-31g(d).qchem.inp (generated)

045141300.b3lyp_6-31g(d).gjf (generated)

045141300.b3lyp_6-31g(d).firefly.inp (generated)

045141300.b3lyp_6-31g(d).smash.inp (generated)

045141300.b3lyp_6-31g(d).nwchem.inp (generated) 045141300.b3lyp_6-31g(d).log.xz 045141300.td-b3lyp_6-31g+(d).inp 045141300.td-b3lyp_6-31g+(d).log.xz

045141300.td-b3lyp_6-31+g(d).qchem.inp (generated)

045141300.td-b3lyp_6-31+g(d).gjf (generated)

045141300.td-b3lyp_6-31+g(d).firefly.inp (generated)

045141300.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045141300.mol 045141300.PUBCHEM 045141300.mol (via Jmol)
045141301.b3lyp_6-31g(d).inp

045141301.b3lyp_6-31g(d).qchem.inp (generated)

045141301.b3lyp_6-31g(d).gjf (generated)

045141301.b3lyp_6-31g(d).firefly.inp (generated)

045141301.b3lyp_6-31g(d).smash.inp (generated)

045141301.b3lyp_6-31g(d).nwchem.inp (generated) 045141301.b3lyp_6-31g(d).log.xz 045141301.td-b3lyp_6-31g+(d).inp 045141301.td-b3lyp_6-31g+(d).log.xz

045141301.td-b3lyp_6-31+g(d).qchem.inp (generated)

045141301.td-b3lyp_6-31+g(d).gjf (generated)

045141301.td-b3lyp_6-31+g(d).firefly.inp (generated)

045141301.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045141301.mol 045141301.PUBCHEM 045141301.mol (via Jmol)
045141302.b3lyp_6-31g(d).inp

045141302.b3lyp_6-31g(d).qchem.inp (generated)

045141302.b3lyp_6-31g(d).gjf (generated)

045141302.b3lyp_6-31g(d).firefly.inp (generated)

045141302.b3lyp_6-31g(d).smash.inp (generated)

045141302.b3lyp_6-31g(d).nwchem.inp (generated) 045141302.b3lyp_6-31g(d).log.xz 045141302.td-b3lyp_6-31g+(d).inp 045141302.td-b3lyp_6-31g+(d).log.xz

045141302.td-b3lyp_6-31+g(d).qchem.inp (generated)

045141302.td-b3lyp_6-31+g(d).gjf (generated)

045141302.td-b3lyp_6-31+g(d).firefly.inp (generated)

045141302.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045141302.mol 045141302.PUBCHEM 045141302.mol (via Jmol)
045141303.b3lyp_6-31g(d).inp

045141303.b3lyp_6-31g(d).qchem.inp (generated)

045141303.b3lyp_6-31g(d).gjf (generated)

045141303.b3lyp_6-31g(d).firefly.inp (generated)

045141303.b3lyp_6-31g(d).smash.inp (generated)

045141303.b3lyp_6-31g(d).nwchem.inp (generated) 045141303.b3lyp_6-31g(d).log.xz 045141303.td-b3lyp_6-31g+(d).inp 045141303.td-b3lyp_6-31g+(d).log.xz

045141303.td-b3lyp_6-31+g(d).qchem.inp (generated)

045141303.td-b3lyp_6-31+g(d).gjf (generated)

045141303.td-b3lyp_6-31+g(d).firefly.inp (generated)

045141303.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045141303.mol 045141303.PUBCHEM 045141303.mol (via Jmol)
045141313.b3lyp_6-31g(d).inp

045141313.b3lyp_6-31g(d).qchem.inp (generated)

045141313.b3lyp_6-31g(d).gjf (generated)

045141313.b3lyp_6-31g(d).firefly.inp (generated)

045141313.b3lyp_6-31g(d).smash.inp (generated)

045141313.b3lyp_6-31g(d).nwchem.inp (generated) 045141313.b3lyp_6-31g(d).log.xz 045141313.td-b3lyp_6-31g+(d).inp 045141313.td-b3lyp_6-31g+(d).log.xz

045141313.td-b3lyp_6-31+g(d).qchem.inp (generated)

045141313.td-b3lyp_6-31+g(d).gjf (generated)

045141313.td-b3lyp_6-31+g(d).firefly.inp (generated)

045141313.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045141313.mol 045141313.PUBCHEM 045141313.mol (via Jmol)
045141314.b3lyp_6-31g(d).inp

045141314.b3lyp_6-31g(d).qchem.inp (generated)

045141314.b3lyp_6-31g(d).gjf (generated)

045141314.b3lyp_6-31g(d).firefly.inp (generated)

045141314.b3lyp_6-31g(d).smash.inp (generated)

045141314.b3lyp_6-31g(d).nwchem.inp (generated) 045141314.b3lyp_6-31g(d).log.xz 045141314.td-b3lyp_6-31g+(d).inp 045141314.td-b3lyp_6-31g+(d).log.xz

045141314.td-b3lyp_6-31+g(d).qchem.inp (generated)

045141314.td-b3lyp_6-31+g(d).gjf (generated)

045141314.td-b3lyp_6-31+g(d).firefly.inp (generated)

045141314.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045141314.mol 045141314.PUBCHEM 045141314.mol (via Jmol)
045141315.b3lyp_6-31g(d).inp

045141315.b3lyp_6-31g(d).qchem.inp (generated)

045141315.b3lyp_6-31g(d).gjf (generated)

045141315.b3lyp_6-31g(d).firefly.inp (generated)

045141315.b3lyp_6-31g(d).smash.inp (generated)

045141315.b3lyp_6-31g(d).nwchem.inp (generated) 045141315.b3lyp_6-31g(d).log.xz 045141315.td-b3lyp_6-31g+(d).inp 045141315.td-b3lyp_6-31g+(d).log.xz

045141315.td-b3lyp_6-31+g(d).qchem.inp (generated)

045141315.td-b3lyp_6-31+g(d).gjf (generated)

045141315.td-b3lyp_6-31+g(d).firefly.inp (generated)

045141315.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045141315.mol 045141315.PUBCHEM 045141315.mol (via Jmol)
045141316.b3lyp_6-31g(d).inp

045141316.b3lyp_6-31g(d).qchem.inp (generated)

045141316.b3lyp_6-31g(d).gjf (generated)

045141316.b3lyp_6-31g(d).firefly.inp (generated)

045141316.b3lyp_6-31g(d).smash.inp (generated)

045141316.b3lyp_6-31g(d).nwchem.inp (generated) 045141316.b3lyp_6-31g(d).log.xz 045141316.mol 045141316.PUBCHEM 045141316.mol (via Jmol)
045141355.b3lyp_6-31g(d).inp

045141355.b3lyp_6-31g(d).qchem.inp (generated)

045141355.b3lyp_6-31g(d).gjf (generated)

045141355.b3lyp_6-31g(d).firefly.inp (generated)

045141355.b3lyp_6-31g(d).smash.inp (generated)

045141355.b3lyp_6-31g(d).nwchem.inp (generated) 045141355.b3lyp_6-31g(d).log.xz 045141355.td-b3lyp_6-31g+(d).inp 045141355.td-b3lyp_6-31g+(d).log.xz

045141355.td-b3lyp_6-31+g(d).qchem.inp (generated)

045141355.td-b3lyp_6-31+g(d).gjf (generated)

045141355.td-b3lyp_6-31+g(d).firefly.inp (generated)

045141355.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045141355.mol 045141355.PUBCHEM 045141355.mol (via Jmol)
045141356.b3lyp_6-31g(d).inp

045141356.b3lyp_6-31g(d).qchem.inp (generated)

045141356.b3lyp_6-31g(d).gjf (generated)

045141356.b3lyp_6-31g(d).firefly.inp (generated)

045141356.b3lyp_6-31g(d).smash.inp (generated)

045141356.b3lyp_6-31g(d).nwchem.inp (generated) 045141356.b3lyp_6-31g(d).log.xz 045141356.td-b3lyp_6-31g+(d).inp 045141356.td-b3lyp_6-31g+(d).log.xz

045141356.td-b3lyp_6-31+g(d).qchem.inp (generated)

045141356.td-b3lyp_6-31+g(d).gjf (generated)

045141356.td-b3lyp_6-31+g(d).firefly.inp (generated)

045141356.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045141356.mol 045141356.PUBCHEM 045141356.mol (via Jmol)
045141377.b3lyp_6-31g(d).inp

045141377.b3lyp_6-31g(d).qchem.inp (generated)

045141377.b3lyp_6-31g(d).gjf (generated)

045141377.b3lyp_6-31g(d).firefly.inp (generated)

045141377.b3lyp_6-31g(d).smash.inp (generated)

045141377.b3lyp_6-31g(d).nwchem.inp (generated) 045141377.b3lyp_6-31g(d).log.xz 045141377.td-b3lyp_6-31g+(d).inp 045141377.td-b3lyp_6-31g+(d).log.xz

045141377.td-b3lyp_6-31+g(d).qchem.inp (generated)

045141377.td-b3lyp_6-31+g(d).gjf (generated)

045141377.td-b3lyp_6-31+g(d).firefly.inp (generated)

045141377.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045141377.mol 045141377.PUBCHEM 045141377.mol (via Jmol)
045141379.b3lyp_6-31g(d).inp

045141379.b3lyp_6-31g(d).qchem.inp (generated)

045141379.b3lyp_6-31g(d).gjf (generated)

045141379.b3lyp_6-31g(d).firefly.inp (generated)

045141379.b3lyp_6-31g(d).smash.inp (generated)

045141379.b3lyp_6-31g(d).nwchem.inp (generated) 045141379.b3lyp_6-31g(d).log.xz 045141379.td-b3lyp_6-31g+(d).inp 045141379.td-b3lyp_6-31g+(d).log.xz

045141379.td-b3lyp_6-31+g(d).qchem.inp (generated)

045141379.td-b3lyp_6-31+g(d).gjf (generated)

045141379.td-b3lyp_6-31+g(d).firefly.inp (generated)

045141379.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045141379.mol 045141379.PUBCHEM 045141379.mol (via Jmol)
045141381.b3lyp_6-31g(d).inp

045141381.b3lyp_6-31g(d).qchem.inp (generated)

045141381.b3lyp_6-31g(d).gjf (generated)

045141381.b3lyp_6-31g(d).firefly.inp (generated)

045141381.b3lyp_6-31g(d).smash.inp (generated)

045141381.b3lyp_6-31g(d).nwchem.inp (generated) 045141381.b3lyp_6-31g(d).log.xz 045141381.mol 045141381.PUBCHEM 045141381.mol (via Jmol)
045141401.b3lyp_6-31g(d).inp

045141401.b3lyp_6-31g(d).qchem.inp (generated)

045141401.b3lyp_6-31g(d).gjf (generated)

045141401.b3lyp_6-31g(d).firefly.inp (generated)

045141401.b3lyp_6-31g(d).smash.inp (generated)

045141401.b3lyp_6-31g(d).nwchem.inp (generated) 045141401.b3lyp_6-31g(d).log.xz 045141401.mol 045141401.PUBCHEM 045141401.mol (via Jmol)
045141402.b3lyp_6-31g(d).inp

045141402.b3lyp_6-31g(d).qchem.inp (generated)

045141402.b3lyp_6-31g(d).gjf (generated)

045141402.b3lyp_6-31g(d).firefly.inp (generated)

045141402.b3lyp_6-31g(d).smash.inp (generated)

045141402.b3lyp_6-31g(d).nwchem.inp (generated) 045141402.b3lyp_6-31g(d).log.xz 045141402.td-b3lyp_6-31g+(d).inp 045141402.td-b3lyp_6-31g+(d).log.xz

045141402.td-b3lyp_6-31+g(d).qchem.inp (generated)

045141402.td-b3lyp_6-31+g(d).gjf (generated)

045141402.td-b3lyp_6-31+g(d).firefly.inp (generated)

045141402.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045141402.mol 045141402.PUBCHEM 045141402.mol (via Jmol)
045141403.b3lyp_6-31g(d).inp

045141403.b3lyp_6-31g(d).qchem.inp (generated)

045141403.b3lyp_6-31g(d).gjf (generated)

045141403.b3lyp_6-31g(d).firefly.inp (generated)

045141403.b3lyp_6-31g(d).smash.inp (generated)

045141403.b3lyp_6-31g(d).nwchem.inp (generated) 045141403.b3lyp_6-31g(d).log.xz 045141403.td-b3lyp_6-31g+(d).inp 045141403.td-b3lyp_6-31g+(d).log.xz

045141403.td-b3lyp_6-31+g(d).qchem.inp (generated)

045141403.td-b3lyp_6-31+g(d).gjf (generated)

045141403.td-b3lyp_6-31+g(d).firefly.inp (generated)

045141403.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045141403.mol 045141403.PUBCHEM 045141403.mol (via Jmol)
045141404.b3lyp_6-31g(d).inp

045141404.b3lyp_6-31g(d).qchem.inp (generated)

045141404.b3lyp_6-31g(d).gjf (generated)

045141404.b3lyp_6-31g(d).firefly.inp (generated)

045141404.b3lyp_6-31g(d).smash.inp (generated)

045141404.b3lyp_6-31g(d).nwchem.inp (generated) 045141404.b3lyp_6-31g(d).log.xz 045141404.td-b3lyp_6-31g+(d).inp 045141404.td-b3lyp_6-31g+(d).log.xz

045141404.td-b3lyp_6-31+g(d).qchem.inp (generated)

045141404.td-b3lyp_6-31+g(d).gjf (generated)

045141404.td-b3lyp_6-31+g(d).firefly.inp (generated)

045141404.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045141404.mol 045141404.PUBCHEM 045141404.mol (via Jmol)
045141405.b3lyp_6-31g(d).inp

045141405.b3lyp_6-31g(d).qchem.inp (generated)

045141405.b3lyp_6-31g(d).gjf (generated)

045141405.b3lyp_6-31g(d).firefly.inp (generated)

045141405.b3lyp_6-31g(d).smash.inp (generated)

045141405.b3lyp_6-31g(d).nwchem.inp (generated) 045141405.b3lyp_6-31g(d).log.xz 045141405.td-b3lyp_6-31g+(d).inp 045141405.td-b3lyp_6-31g+(d).log.xz

045141405.td-b3lyp_6-31+g(d).qchem.inp (generated)

045141405.td-b3lyp_6-31+g(d).gjf (generated)

045141405.td-b3lyp_6-31+g(d).firefly.inp (generated)

045141405.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045141405.mol 045141405.PUBCHEM 045141405.mol (via Jmol)
045141406.b3lyp_6-31g(d).inp

045141406.b3lyp_6-31g(d).qchem.inp (generated)

045141406.b3lyp_6-31g(d).gjf (generated)

045141406.b3lyp_6-31g(d).firefly.inp (generated)

045141406.b3lyp_6-31g(d).smash.inp (generated)

045141406.b3lyp_6-31g(d).nwchem.inp (generated) 045141406.b3lyp_6-31g(d).log.xz 045141406.mol 045141406.PUBCHEM 045141406.mol (via Jmol)
045141431.b3lyp_6-31g(d).inp

045141431.b3lyp_6-31g(d).qchem.inp (generated)

045141431.b3lyp_6-31g(d).gjf (generated)

045141431.b3lyp_6-31g(d).firefly.inp (generated)

045141431.b3lyp_6-31g(d).smash.inp (generated)

045141431.b3lyp_6-31g(d).nwchem.inp (generated) 045141431.b3lyp_6-31g(d).log.xz 045141431.td-b3lyp_6-31g+(d).inp 045141431.td-b3lyp_6-31g+(d).log.xz

045141431.td-b3lyp_6-31+g(d).qchem.inp (generated)

045141431.td-b3lyp_6-31+g(d).gjf (generated)

045141431.td-b3lyp_6-31+g(d).firefly.inp (generated)

045141431.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045141431.mol 045141431.PUBCHEM 045141431.mol (via Jmol)
045141503.b3lyp_6-31g(d).inp

045141503.b3lyp_6-31g(d).qchem.inp (generated)

045141503.b3lyp_6-31g(d).gjf (generated)

045141503.b3lyp_6-31g(d).firefly.inp (generated)

045141503.b3lyp_6-31g(d).smash.inp (generated)

045141503.b3lyp_6-31g(d).nwchem.inp (generated) 045141503.b3lyp_6-31g(d).log.xz 045141503.td-b3lyp_6-31g+(d).inp 045141503.td-b3lyp_6-31g+(d).log.xz

045141503.td-b3lyp_6-31+g(d).qchem.inp (generated)

045141503.td-b3lyp_6-31+g(d).gjf (generated)

045141503.td-b3lyp_6-31+g(d).firefly.inp (generated)

045141503.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045141503.mol 045141503.PUBCHEM 045141503.mol (via Jmol)
045141513.b3lyp_6-31g(d).inp

045141513.b3lyp_6-31g(d).qchem.inp (generated)

045141513.b3lyp_6-31g(d).gjf (generated)

045141513.b3lyp_6-31g(d).firefly.inp (generated)

045141513.b3lyp_6-31g(d).smash.inp (generated)

045141513.b3lyp_6-31g(d).nwchem.inp (generated) 045141513.b3lyp_6-31g(d).log.xz 045141513.td-b3lyp_6-31g+(d).inp 045141513.td-b3lyp_6-31g+(d).log.xz

045141513.td-b3lyp_6-31+g(d).qchem.inp (generated)

045141513.td-b3lyp_6-31+g(d).gjf (generated)

045141513.td-b3lyp_6-31+g(d).firefly.inp (generated)

045141513.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045141513.mol 045141513.PUBCHEM 045141513.mol (via Jmol)
045141525.b3lyp_6-31g(d).inp

045141525.b3lyp_6-31g(d).qchem.inp (generated)

045141525.b3lyp_6-31g(d).gjf (generated)

045141525.b3lyp_6-31g(d).firefly.inp (generated)

045141525.b3lyp_6-31g(d).smash.inp (generated)

045141525.b3lyp_6-31g(d).nwchem.inp (generated) 045141525.b3lyp_6-31g(d).log.xz 045141525.td-b3lyp_6-31g+(d).inp 045141525.td-b3lyp_6-31g+(d).log.xz

045141525.td-b3lyp_6-31+g(d).qchem.inp (generated)

045141525.td-b3lyp_6-31+g(d).gjf (generated)

045141525.td-b3lyp_6-31+g(d).firefly.inp (generated)

045141525.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045141525.mol 045141525.PUBCHEM 045141525.mol (via Jmol)
045141527.b3lyp_6-31g(d).inp

045141527.b3lyp_6-31g(d).qchem.inp (generated)

045141527.b3lyp_6-31g(d).gjf (generated)

045141527.b3lyp_6-31g(d).firefly.inp (generated)

045141527.b3lyp_6-31g(d).smash.inp (generated)

045141527.b3lyp_6-31g(d).nwchem.inp (generated) 045141527.b3lyp_6-31g(d).log.xz 045141527.td-b3lyp_6-31g+(d).inp 045141527.td-b3lyp_6-31g+(d).log.xz

045141527.td-b3lyp_6-31+g(d).qchem.inp (generated)

045141527.td-b3lyp_6-31+g(d).gjf (generated)

045141527.td-b3lyp_6-31+g(d).firefly.inp (generated)

045141527.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045141527.mol 045141527.PUBCHEM 045141527.mol (via Jmol)
045141528.b3lyp_6-31g(d).inp

045141528.b3lyp_6-31g(d).qchem.inp (generated)

045141528.b3lyp_6-31g(d).gjf (generated)

045141528.b3lyp_6-31g(d).firefly.inp (generated)

045141528.b3lyp_6-31g(d).smash.inp (generated)

045141528.b3lyp_6-31g(d).nwchem.inp (generated) 045141528.b3lyp_6-31g(d).log.xz 045141528.td-b3lyp_6-31g+(d).inp 045141528.td-b3lyp_6-31g+(d).log.xz

045141528.td-b3lyp_6-31+g(d).qchem.inp (generated)

045141528.td-b3lyp_6-31+g(d).gjf (generated)

045141528.td-b3lyp_6-31+g(d).firefly.inp (generated)

045141528.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045141528.mol 045141528.PUBCHEM 045141528.mol (via Jmol)
045141530.b3lyp_6-31g(d).inp

045141530.b3lyp_6-31g(d).qchem.inp (generated)

045141530.b3lyp_6-31g(d).gjf (generated)

045141530.b3lyp_6-31g(d).firefly.inp (generated)

045141530.b3lyp_6-31g(d).smash.inp (generated)

045141530.b3lyp_6-31g(d).nwchem.inp (generated) 045141530.b3lyp_6-31g(d).log.xz 045141530.td-b3lyp_6-31g+(d).inp 045141530.td-b3lyp_6-31g+(d).log.xz

045141530.td-b3lyp_6-31+g(d).qchem.inp (generated)

045141530.td-b3lyp_6-31+g(d).gjf (generated)

045141530.td-b3lyp_6-31+g(d).firefly.inp (generated)

045141530.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045141530.mol 045141530.PUBCHEM 045141530.mol (via Jmol)
045141544.b3lyp_6-31g(d).inp

045141544.b3lyp_6-31g(d).qchem.inp (generated)

045141544.b3lyp_6-31g(d).gjf (generated)

045141544.b3lyp_6-31g(d).firefly.inp (generated)

045141544.b3lyp_6-31g(d).smash.inp (generated)

045141544.b3lyp_6-31g(d).nwchem.inp (generated) 045141544.b3lyp_6-31g(d).log.xz 045141544.td-b3lyp_6-31g+(d).inp 045141544.td-b3lyp_6-31g+(d).log.xz

045141544.td-b3lyp_6-31+g(d).qchem.inp (generated)

045141544.td-b3lyp_6-31+g(d).gjf (generated)

045141544.td-b3lyp_6-31+g(d).firefly.inp (generated)

045141544.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045141544.mol 045141544.PUBCHEM 045141544.mol (via Jmol)
045141545.b3lyp_6-31g(d).inp

045141545.b3lyp_6-31g(d).qchem.inp (generated)

045141545.b3lyp_6-31g(d).gjf (generated)

045141545.b3lyp_6-31g(d).firefly.inp (generated)

045141545.b3lyp_6-31g(d).smash.inp (generated)

045141545.b3lyp_6-31g(d).nwchem.inp (generated) 045141545.b3lyp_6-31g(d).log.xz 045141545.td-b3lyp_6-31g+(d).inp 045141545.td-b3lyp_6-31g+(d).log.xz

045141545.td-b3lyp_6-31+g(d).qchem.inp (generated)

045141545.td-b3lyp_6-31+g(d).gjf (generated)

045141545.td-b3lyp_6-31+g(d).firefly.inp (generated)

045141545.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045141545.mol 045141545.PUBCHEM 045141545.mol (via Jmol)
045141546.b3lyp_6-31g(d).inp

045141546.b3lyp_6-31g(d).qchem.inp (generated)

045141546.b3lyp_6-31g(d).gjf (generated)

045141546.b3lyp_6-31g(d).firefly.inp (generated)

045141546.b3lyp_6-31g(d).smash.inp (generated)

045141546.b3lyp_6-31g(d).nwchem.inp (generated) 045141546.b3lyp_6-31g(d).log.xz 045141546.td-b3lyp_6-31g+(d).inp 045141546.td-b3lyp_6-31g+(d).log.xz

045141546.td-b3lyp_6-31+g(d).qchem.inp (generated)

045141546.td-b3lyp_6-31+g(d).gjf (generated)

045141546.td-b3lyp_6-31+g(d).firefly.inp (generated)

045141546.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045141546.mol 045141546.PUBCHEM 045141546.mol (via Jmol)
045141735.b3lyp_6-31g(d).inp

045141735.b3lyp_6-31g(d).qchem.inp (generated)

045141735.b3lyp_6-31g(d).gjf (generated)

045141735.b3lyp_6-31g(d).firefly.inp (generated)

045141735.b3lyp_6-31g(d).smash.inp (generated)

045141735.b3lyp_6-31g(d).nwchem.inp (generated) 045141735.b3lyp_6-31g(d).log.xz 045141735.mol 045141735.PUBCHEM 045141735.mol (via Jmol)
045141805.b3lyp_6-31g(d).inp

045141805.b3lyp_6-31g(d).qchem.inp (generated)

045141805.b3lyp_6-31g(d).gjf (generated)

045141805.b3lyp_6-31g(d).firefly.inp (generated)

045141805.b3lyp_6-31g(d).smash.inp (generated)

045141805.b3lyp_6-31g(d).nwchem.inp (generated) 045141805.b3lyp_6-31g(d).log.xz 045141805.td-b3lyp_6-31g+(d).inp 045141805.td-b3lyp_6-31g+(d).log.xz

045141805.td-b3lyp_6-31+g(d).qchem.inp (generated)

045141805.td-b3lyp_6-31+g(d).gjf (generated)

045141805.td-b3lyp_6-31+g(d).firefly.inp (generated)

045141805.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045141805.mol 045141805.PUBCHEM 045141805.mol (via Jmol)
045141807.b3lyp_6-31g(d).inp

045141807.b3lyp_6-31g(d).qchem.inp (generated)

045141807.b3lyp_6-31g(d).gjf (generated)

045141807.b3lyp_6-31g(d).firefly.inp (generated)

045141807.b3lyp_6-31g(d).smash.inp (generated)

045141807.b3lyp_6-31g(d).nwchem.inp (generated) 045141807.b3lyp_6-31g(d).log.xz 045141807.mol 045141807.PUBCHEM 045141807.mol (via Jmol)
045141857.b3lyp_6-31g(d).inp

045141857.b3lyp_6-31g(d).qchem.inp (generated)

045141857.b3lyp_6-31g(d).gjf (generated)

045141857.b3lyp_6-31g(d).firefly.inp (generated)

045141857.b3lyp_6-31g(d).smash.inp (generated)

045141857.b3lyp_6-31g(d).nwchem.inp (generated) 045141857.b3lyp_6-31g(d).log.xz 045141857.mol 045141857.PUBCHEM 045141857.mol (via Jmol)
045141884.b3lyp_6-31g(d).inp

045141884.b3lyp_6-31g(d).qchem.inp (generated)

045141884.b3lyp_6-31g(d).gjf (generated)

045141884.b3lyp_6-31g(d).firefly.inp (generated)

045141884.b3lyp_6-31g(d).smash.inp (generated)

045141884.b3lyp_6-31g(d).nwchem.inp (generated) 045141884.b3lyp_6-31g(d).log.xz 045141884.td-b3lyp_6-31g+(d).inp 045141884.td-b3lyp_6-31g+(d).log.xz

045141884.td-b3lyp_6-31+g(d).qchem.inp (generated)

045141884.td-b3lyp_6-31+g(d).gjf (generated)

045141884.td-b3lyp_6-31+g(d).firefly.inp (generated)

045141884.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045141884.mol 045141884.PUBCHEM 045141884.mol (via Jmol)
045141928.b3lyp_6-31g(d).inp

045141928.b3lyp_6-31g(d).qchem.inp (generated)

045141928.b3lyp_6-31g(d).gjf (generated)

045141928.b3lyp_6-31g(d).firefly.inp (generated)

045141928.b3lyp_6-31g(d).smash.inp (generated)

045141928.b3lyp_6-31g(d).nwchem.inp (generated) 045141928.b3lyp_6-31g(d).log.xz 045141928.td-b3lyp_6-31g+(d).inp 045141928.td-b3lyp_6-31g+(d).log.xz

045141928.td-b3lyp_6-31+g(d).qchem.inp (generated)

045141928.td-b3lyp_6-31+g(d).gjf (generated)

045141928.td-b3lyp_6-31+g(d).firefly.inp (generated)

045141928.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045141928.mol 045141928.PUBCHEM 045141928.mol (via Jmol)
045141995.b3lyp_6-31g(d).inp

045141995.b3lyp_6-31g(d).qchem.inp (generated)

045141995.b3lyp_6-31g(d).gjf (generated)

045141995.b3lyp_6-31g(d).firefly.inp (generated)

045141995.b3lyp_6-31g(d).smash.inp (generated)

045141995.b3lyp_6-31g(d).nwchem.inp (generated) 045141995.b3lyp_6-31g(d).log.xz 045141995.td-b3lyp_6-31g+(d).inp 045141995.td-b3lyp_6-31g+(d).log.xz

045141995.td-b3lyp_6-31+g(d).qchem.inp (generated)

045141995.td-b3lyp_6-31+g(d).gjf (generated)

045141995.td-b3lyp_6-31+g(d).firefly.inp (generated)

045141995.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045141995.mol 045141995.PUBCHEM 045141995.mol (via Jmol)
045142032.b3lyp_6-31g(d).inp

045142032.b3lyp_6-31g(d).qchem.inp (generated)

045142032.b3lyp_6-31g(d).gjf (generated)

045142032.b3lyp_6-31g(d).firefly.inp (generated)

045142032.b3lyp_6-31g(d).smash.inp (generated)

045142032.b3lyp_6-31g(d).nwchem.inp (generated) 045142032.b3lyp_6-31g(d).log.xz 045142032.td-b3lyp_6-31g+(d).inp 045142032.td-b3lyp_6-31g+(d).log.xz

045142032.td-b3lyp_6-31+g(d).qchem.inp (generated)

045142032.td-b3lyp_6-31+g(d).gjf (generated)

045142032.td-b3lyp_6-31+g(d).firefly.inp (generated)

045142032.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045142032.mol 045142032.PUBCHEM 045142032.mol (via Jmol)
045142033.b3lyp_6-31g(d).inp

045142033.b3lyp_6-31g(d).qchem.inp (generated)

045142033.b3lyp_6-31g(d).gjf (generated)

045142033.b3lyp_6-31g(d).firefly.inp (generated)

045142033.b3lyp_6-31g(d).smash.inp (generated)

045142033.b3lyp_6-31g(d).nwchem.inp (generated) 045142033.b3lyp_6-31g(d).log.xz 045142033.td-b3lyp_6-31g+(d).inp 045142033.td-b3lyp_6-31g+(d).log.xz

045142033.td-b3lyp_6-31+g(d).qchem.inp (generated)

045142033.td-b3lyp_6-31+g(d).gjf (generated)

045142033.td-b3lyp_6-31+g(d).firefly.inp (generated)

045142033.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045142033.mol 045142033.PUBCHEM 045142033.mol (via Jmol)
045142049.b3lyp_6-31g(d).inp

045142049.b3lyp_6-31g(d).qchem.inp (generated)

045142049.b3lyp_6-31g(d).gjf (generated)

045142049.b3lyp_6-31g(d).firefly.inp (generated)

045142049.b3lyp_6-31g(d).smash.inp (generated)

045142049.b3lyp_6-31g(d).nwchem.inp (generated) 045142049.b3lyp_6-31g(d).log.xz 045142049.td-b3lyp_6-31g+(d).inp 045142049.td-b3lyp_6-31g+(d).log.xz

045142049.td-b3lyp_6-31+g(d).qchem.inp (generated)

045142049.td-b3lyp_6-31+g(d).gjf (generated)

045142049.td-b3lyp_6-31+g(d).firefly.inp (generated)

045142049.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045142049.mol 045142049.PUBCHEM 045142049.mol (via Jmol)
045142087.b3lyp_6-31g(d).inp

045142087.b3lyp_6-31g(d).qchem.inp (generated)

045142087.b3lyp_6-31g(d).gjf (generated)

045142087.b3lyp_6-31g(d).firefly.inp (generated)

045142087.b3lyp_6-31g(d).smash.inp (generated)

045142087.b3lyp_6-31g(d).nwchem.inp (generated) 045142087.b3lyp_6-31g(d).log.xz 045142087.td-b3lyp_6-31g+(d).inp 045142087.td-b3lyp_6-31g+(d).log.xz

045142087.td-b3lyp_6-31+g(d).qchem.inp (generated)

045142087.td-b3lyp_6-31+g(d).gjf (generated)

045142087.td-b3lyp_6-31+g(d).firefly.inp (generated)

045142087.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045142087.mol 045142087.PUBCHEM 045142087.mol (via Jmol)
045142111.b3lyp_6-31g(d).inp

045142111.b3lyp_6-31g(d).qchem.inp (generated)

045142111.b3lyp_6-31g(d).gjf (generated)

045142111.b3lyp_6-31g(d).firefly.inp (generated)

045142111.b3lyp_6-31g(d).smash.inp (generated)

045142111.b3lyp_6-31g(d).nwchem.inp (generated) 045142111.b3lyp_6-31g(d).log.xz 045142111.td-b3lyp_6-31g+(d).inp 045142111.td-b3lyp_6-31g+(d).log.xz

045142111.td-b3lyp_6-31+g(d).qchem.inp (generated)

045142111.td-b3lyp_6-31+g(d).gjf (generated)

045142111.td-b3lyp_6-31+g(d).firefly.inp (generated)

045142111.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045142111.mol 045142111.PUBCHEM 045142111.mol (via Jmol)
045142115.b3lyp_6-31g(d).inp

045142115.b3lyp_6-31g(d).qchem.inp (generated)

045142115.b3lyp_6-31g(d).gjf (generated)

045142115.b3lyp_6-31g(d).firefly.inp (generated)

045142115.b3lyp_6-31g(d).smash.inp (generated)

045142115.b3lyp_6-31g(d).nwchem.inp (generated) 045142115.b3lyp_6-31g(d).log.xz 045142115.td-b3lyp_6-31g+(d).inp 045142115.td-b3lyp_6-31g+(d).log.xz

045142115.td-b3lyp_6-31+g(d).qchem.inp (generated)

045142115.td-b3lyp_6-31+g(d).gjf (generated)

045142115.td-b3lyp_6-31+g(d).firefly.inp (generated)

045142115.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045142115.mol 045142115.PUBCHEM 045142115.mol (via Jmol)
045142150.b3lyp_6-31g(d).inp

045142150.b3lyp_6-31g(d).qchem.inp (generated)

045142150.b3lyp_6-31g(d).gjf (generated)

045142150.b3lyp_6-31g(d).firefly.inp (generated)

045142150.b3lyp_6-31g(d).smash.inp (generated)

045142150.b3lyp_6-31g(d).nwchem.inp (generated) 045142150.b3lyp_6-31g(d).log.xz 045142150.td-b3lyp_6-31g+(d).inp 045142150.td-b3lyp_6-31g+(d).log.xz

045142150.td-b3lyp_6-31+g(d).qchem.inp (generated)

045142150.td-b3lyp_6-31+g(d).gjf (generated)

045142150.td-b3lyp_6-31+g(d).firefly.inp (generated)

045142150.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045142150.mol 045142150.PUBCHEM 045142150.mol (via Jmol)
045142214.b3lyp_6-31g(d).inp

045142214.b3lyp_6-31g(d).qchem.inp (generated)

045142214.b3lyp_6-31g(d).gjf (generated)

045142214.b3lyp_6-31g(d).firefly.inp (generated)

045142214.b3lyp_6-31g(d).smash.inp (generated)

045142214.b3lyp_6-31g(d).nwchem.inp (generated) 045142214.b3lyp_6-31g(d).log.xz 045142214.td-b3lyp_6-31g+(d).inp 045142214.td-b3lyp_6-31g+(d).log.xz

045142214.td-b3lyp_6-31+g(d).qchem.inp (generated)

045142214.td-b3lyp_6-31+g(d).gjf (generated)

045142214.td-b3lyp_6-31+g(d).firefly.inp (generated)

045142214.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045142214.mol 045142214.PUBCHEM 045142214.mol (via Jmol)
045142224.b3lyp_6-31g(d).inp

045142224.b3lyp_6-31g(d).qchem.inp (generated)

045142224.b3lyp_6-31g(d).gjf (generated)

045142224.b3lyp_6-31g(d).firefly.inp (generated)

045142224.b3lyp_6-31g(d).smash.inp (generated)

045142224.b3lyp_6-31g(d).nwchem.inp (generated) 045142224.b3lyp_6-31g(d).log.xz 045142224.td-b3lyp_6-31g+(d).inp 045142224.td-b3lyp_6-31g+(d).log.xz

045142224.td-b3lyp_6-31+g(d).qchem.inp (generated)

045142224.td-b3lyp_6-31+g(d).gjf (generated)

045142224.td-b3lyp_6-31+g(d).firefly.inp (generated)

045142224.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045142224.mol 045142224.PUBCHEM 045142224.mol (via Jmol)
045142225.b3lyp_6-31g(d).inp

045142225.b3lyp_6-31g(d).qchem.inp (generated)

045142225.b3lyp_6-31g(d).gjf (generated)

045142225.b3lyp_6-31g(d).firefly.inp (generated)

045142225.b3lyp_6-31g(d).smash.inp (generated)

045142225.b3lyp_6-31g(d).nwchem.inp (generated) 045142225.b3lyp_6-31g(d).log.xz 045142225.td-b3lyp_6-31g+(d).inp 045142225.td-b3lyp_6-31g+(d).log.xz

045142225.td-b3lyp_6-31+g(d).qchem.inp (generated)

045142225.td-b3lyp_6-31+g(d).gjf (generated)

045142225.td-b3lyp_6-31+g(d).firefly.inp (generated)

045142225.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045142225.mol 045142225.PUBCHEM 045142225.mol (via Jmol)
045142226.b3lyp_6-31g(d).inp

045142226.b3lyp_6-31g(d).qchem.inp (generated)

045142226.b3lyp_6-31g(d).gjf (generated)

045142226.b3lyp_6-31g(d).firefly.inp (generated)

045142226.b3lyp_6-31g(d).smash.inp (generated)

045142226.b3lyp_6-31g(d).nwchem.inp (generated) 045142226.b3lyp_6-31g(d).log.xz 045142226.td-b3lyp_6-31g+(d).inp 045142226.td-b3lyp_6-31g+(d).log.xz

045142226.td-b3lyp_6-31+g(d).qchem.inp (generated)

045142226.td-b3lyp_6-31+g(d).gjf (generated)

045142226.td-b3lyp_6-31+g(d).firefly.inp (generated)

045142226.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045142226.mol 045142226.PUBCHEM 045142226.mol (via Jmol)
045142227.b3lyp_6-31g(d).inp

045142227.b3lyp_6-31g(d).qchem.inp (generated)

045142227.b3lyp_6-31g(d).gjf (generated)

045142227.b3lyp_6-31g(d).firefly.inp (generated)

045142227.b3lyp_6-31g(d).smash.inp (generated)

045142227.b3lyp_6-31g(d).nwchem.inp (generated) 045142227.b3lyp_6-31g(d).log.xz 045142227.td-b3lyp_6-31g+(d).inp 045142227.td-b3lyp_6-31g+(d).log.xz

045142227.td-b3lyp_6-31+g(d).qchem.inp (generated)

045142227.td-b3lyp_6-31+g(d).gjf (generated)

045142227.td-b3lyp_6-31+g(d).firefly.inp (generated)

045142227.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045142227.mol 045142227.PUBCHEM 045142227.mol (via Jmol)
045142292.b3lyp_6-31g(d).inp

045142292.b3lyp_6-31g(d).qchem.inp (generated)

045142292.b3lyp_6-31g(d).gjf (generated)

045142292.b3lyp_6-31g(d).firefly.inp (generated)

045142292.b3lyp_6-31g(d).smash.inp (generated)

045142292.b3lyp_6-31g(d).nwchem.inp (generated) 045142292.b3lyp_6-31g(d).log.xz 045142292.td-b3lyp_6-31g+(d).inp 045142292.td-b3lyp_6-31g+(d).log.xz

045142292.td-b3lyp_6-31+g(d).qchem.inp (generated)

045142292.td-b3lyp_6-31+g(d).gjf (generated)

045142292.td-b3lyp_6-31+g(d).firefly.inp (generated)

045142292.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045142292.mol 045142292.PUBCHEM 045142292.mol (via Jmol)
045142293.b3lyp_6-31g(d).inp

045142293.b3lyp_6-31g(d).qchem.inp (generated)

045142293.b3lyp_6-31g(d).gjf (generated)

045142293.b3lyp_6-31g(d).firefly.inp (generated)

045142293.b3lyp_6-31g(d).smash.inp (generated)

045142293.b3lyp_6-31g(d).nwchem.inp (generated) 045142293.b3lyp_6-31g(d).log.xz 045142293.td-b3lyp_6-31g+(d).inp 045142293.td-b3lyp_6-31g+(d).log.xz

045142293.td-b3lyp_6-31+g(d).qchem.inp (generated)

045142293.td-b3lyp_6-31+g(d).gjf (generated)

045142293.td-b3lyp_6-31+g(d).firefly.inp (generated)

045142293.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045142293.mol 045142293.PUBCHEM 045142293.mol (via Jmol)
045142335.b3lyp_6-31g(d).inp

045142335.b3lyp_6-31g(d).qchem.inp (generated)

045142335.b3lyp_6-31g(d).gjf (generated)

045142335.b3lyp_6-31g(d).firefly.inp (generated)

045142335.b3lyp_6-31g(d).smash.inp (generated)

045142335.b3lyp_6-31g(d).nwchem.inp (generated) 045142335.b3lyp_6-31g(d).log.xz 045142335.td-b3lyp_6-31g+(d).inp 045142335.td-b3lyp_6-31g+(d).log.xz

045142335.td-b3lyp_6-31+g(d).qchem.inp (generated)

045142335.td-b3lyp_6-31+g(d).gjf (generated)

045142335.td-b3lyp_6-31+g(d).firefly.inp (generated)

045142335.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045142335.mol 045142335.PUBCHEM 045142335.mol (via Jmol)
045142338.b3lyp_6-31g(d).inp

045142338.b3lyp_6-31g(d).qchem.inp (generated)

045142338.b3lyp_6-31g(d).gjf (generated)

045142338.b3lyp_6-31g(d).firefly.inp (generated)

045142338.b3lyp_6-31g(d).smash.inp (generated)

045142338.b3lyp_6-31g(d).nwchem.inp (generated) 045142338.b3lyp_6-31g(d).log.xz 045142338.mol 045142338.PUBCHEM 045142338.mol (via Jmol)
045142356.b3lyp_6-31g(d).inp

045142356.b3lyp_6-31g(d).qchem.inp (generated)

045142356.b3lyp_6-31g(d).gjf (generated)

045142356.b3lyp_6-31g(d).firefly.inp (generated)

045142356.b3lyp_6-31g(d).smash.inp (generated)

045142356.b3lyp_6-31g(d).nwchem.inp (generated) 045142356.b3lyp_6-31g(d).log.xz 045142356.td-b3lyp_6-31g+(d).inp 045142356.td-b3lyp_6-31g+(d).log.xz

045142356.td-b3lyp_6-31+g(d).qchem.inp (generated)

045142356.td-b3lyp_6-31+g(d).gjf (generated)

045142356.td-b3lyp_6-31+g(d).firefly.inp (generated)

045142356.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045142356.mol 045142356.PUBCHEM 045142356.mol (via Jmol)
045142379.b3lyp_6-31g(d).inp

045142379.b3lyp_6-31g(d).qchem.inp (generated)

045142379.b3lyp_6-31g(d).gjf (generated)

045142379.b3lyp_6-31g(d).firefly.inp (generated)

045142379.b3lyp_6-31g(d).smash.inp (generated)

045142379.b3lyp_6-31g(d).nwchem.inp (generated) 045142379.b3lyp_6-31g(d).log.xz 045142379.td-b3lyp_6-31g+(d).inp 045142379.td-b3lyp_6-31g+(d).log.xz

045142379.td-b3lyp_6-31+g(d).qchem.inp (generated)

045142379.td-b3lyp_6-31+g(d).gjf (generated)

045142379.td-b3lyp_6-31+g(d).firefly.inp (generated)

045142379.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045142379.mol 045142379.PUBCHEM 045142379.mol (via Jmol)
045142499.b3lyp_6-31g(d).inp

045142499.b3lyp_6-31g(d).qchem.inp (generated)

045142499.b3lyp_6-31g(d).gjf (generated)

045142499.b3lyp_6-31g(d).firefly.inp (generated)

045142499.b3lyp_6-31g(d).smash.inp (generated)

045142499.b3lyp_6-31g(d).nwchem.inp (generated) 045142499.b3lyp_6-31g(d).log.xz 045142499.mol 045142499.PUBCHEM 045142499.mol (via Jmol)
045142691.b3lyp_6-31g(d).inp

045142691.b3lyp_6-31g(d).qchem.inp (generated)

045142691.b3lyp_6-31g(d).gjf (generated)

045142691.b3lyp_6-31g(d).firefly.inp (generated)

045142691.b3lyp_6-31g(d).smash.inp (generated)

045142691.b3lyp_6-31g(d).nwchem.inp (generated) 045142691.b3lyp_6-31g(d).log.xz 045142691.td-b3lyp_6-31g+(d).inp 045142691.td-b3lyp_6-31g+(d).log.xz

045142691.td-b3lyp_6-31+g(d).qchem.inp (generated)

045142691.td-b3lyp_6-31+g(d).gjf (generated)

045142691.td-b3lyp_6-31+g(d).firefly.inp (generated)

045142691.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045142691.mol 045142691.PUBCHEM 045142691.mol (via Jmol)
045142694.b3lyp_6-31g(d).inp

045142694.b3lyp_6-31g(d).qchem.inp (generated)

045142694.b3lyp_6-31g(d).gjf (generated)

045142694.b3lyp_6-31g(d).firefly.inp (generated)

045142694.b3lyp_6-31g(d).smash.inp (generated)

045142694.b3lyp_6-31g(d).nwchem.inp (generated) 045142694.b3lyp_6-31g(d).log.xz 045142694.mol 045142694.PUBCHEM 045142694.mol (via Jmol)
045142696.b3lyp_6-31g(d).inp

045142696.b3lyp_6-31g(d).qchem.inp (generated)

045142696.b3lyp_6-31g(d).gjf (generated)

045142696.b3lyp_6-31g(d).firefly.inp (generated)

045142696.b3lyp_6-31g(d).smash.inp (generated)

045142696.b3lyp_6-31g(d).nwchem.inp (generated) 045142696.b3lyp_6-31g(d).log.xz 045142696.td-b3lyp_6-31g+(d).inp 045142696.td-b3lyp_6-31g+(d).log.xz

045142696.td-b3lyp_6-31+g(d).qchem.inp (generated)

045142696.td-b3lyp_6-31+g(d).gjf (generated)

045142696.td-b3lyp_6-31+g(d).firefly.inp (generated)

045142696.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045142696.mol 045142696.PUBCHEM 045142696.mol (via Jmol)
045142722.b3lyp_6-31g(d).inp

045142722.b3lyp_6-31g(d).qchem.inp (generated)

045142722.b3lyp_6-31g(d).gjf (generated)

045142722.b3lyp_6-31g(d).firefly.inp (generated)

045142722.b3lyp_6-31g(d).smash.inp (generated)

045142722.b3lyp_6-31g(d).nwchem.inp (generated) 045142722.b3lyp_6-31g(d).log.xz 045142722.td-b3lyp_6-31g+(d).inp 045142722.td-b3lyp_6-31g+(d).log.xz

045142722.td-b3lyp_6-31+g(d).qchem.inp (generated)

045142722.td-b3lyp_6-31+g(d).gjf (generated)

045142722.td-b3lyp_6-31+g(d).firefly.inp (generated)

045142722.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045142722.mol 045142722.PUBCHEM 045142722.mol (via Jmol)
045143494.b3lyp_6-31g(d).inp

045143494.b3lyp_6-31g(d).qchem.inp (generated)

045143494.b3lyp_6-31g(d).gjf (generated)

045143494.b3lyp_6-31g(d).firefly.inp (generated)

045143494.b3lyp_6-31g(d).smash.inp (generated)

045143494.b3lyp_6-31g(d).nwchem.inp (generated) 045143494.b3lyp_6-31g(d).log.xz 045143494.td-b3lyp_6-31g+(d).inp 045143494.td-b3lyp_6-31g+(d).log.xz

045143494.td-b3lyp_6-31+g(d).qchem.inp (generated)

045143494.td-b3lyp_6-31+g(d).gjf (generated)

045143494.td-b3lyp_6-31+g(d).firefly.inp (generated)

045143494.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045143494.mol 045143494.PUBCHEM 045143494.mol (via Jmol)
045143523.b3lyp_6-31g(d).inp

045143523.b3lyp_6-31g(d).qchem.inp (generated)

045143523.b3lyp_6-31g(d).gjf (generated)

045143523.b3lyp_6-31g(d).firefly.inp (generated)

045143523.b3lyp_6-31g(d).smash.inp (generated)

045143523.b3lyp_6-31g(d).nwchem.inp (generated) 045143523.b3lyp_6-31g(d).log.xz 045143523.td-b3lyp_6-31g+(d).inp 045143523.td-b3lyp_6-31g+(d).log.xz

045143523.td-b3lyp_6-31+g(d).qchem.inp (generated)

045143523.td-b3lyp_6-31+g(d).gjf (generated)

045143523.td-b3lyp_6-31+g(d).firefly.inp (generated)

045143523.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045143523.mol 045143523.PUBCHEM 045143523.mol (via Jmol)
045144564.b3lyp_6-31g(d).inp

045144564.b3lyp_6-31g(d).qchem.inp (generated)

045144564.b3lyp_6-31g(d).gjf (generated)

045144564.b3lyp_6-31g(d).firefly.inp (generated)

045144564.b3lyp_6-31g(d).smash.inp (generated)

045144564.b3lyp_6-31g(d).nwchem.inp (generated) 045144564.b3lyp_6-31g(d).log.xz 045144564.td-b3lyp_6-31g+(d).inp 045144564.td-b3lyp_6-31g+(d).log.xz

045144564.td-b3lyp_6-31+g(d).qchem.inp (generated)

045144564.td-b3lyp_6-31+g(d).gjf (generated)

045144564.td-b3lyp_6-31+g(d).firefly.inp (generated)

045144564.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045144564.mol 045144564.PUBCHEM 045144564.mol (via Jmol)
045144565.b3lyp_6-31g(d).inp

045144565.b3lyp_6-31g(d).qchem.inp (generated)

045144565.b3lyp_6-31g(d).gjf (generated)

045144565.b3lyp_6-31g(d).firefly.inp (generated)

045144565.b3lyp_6-31g(d).smash.inp (generated)

045144565.b3lyp_6-31g(d).nwchem.inp (generated) 045144565.b3lyp_6-31g(d).log.xz 045144565.td-b3lyp_6-31g+(d).inp 045144565.td-b3lyp_6-31g+(d).log.xz

045144565.td-b3lyp_6-31+g(d).qchem.inp (generated)

045144565.td-b3lyp_6-31+g(d).gjf (generated)

045144565.td-b3lyp_6-31+g(d).firefly.inp (generated)

045144565.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045144565.mol 045144565.PUBCHEM 045144565.mol (via Jmol)
045145051.b3lyp_6-31g(d).inp

045145051.b3lyp_6-31g(d).qchem.inp (generated)

045145051.b3lyp_6-31g(d).gjf (generated)

045145051.b3lyp_6-31g(d).firefly.inp (generated)

045145051.b3lyp_6-31g(d).smash.inp (generated)

045145051.b3lyp_6-31g(d).nwchem.inp (generated) 045145051.b3lyp_6-31g(d).log.xz 045145051.td-b3lyp_6-31g+(d).inp 045145051.td-b3lyp_6-31g+(d).log.xz

045145051.td-b3lyp_6-31+g(d).qchem.inp (generated)

045145051.td-b3lyp_6-31+g(d).gjf (generated)

045145051.td-b3lyp_6-31+g(d).firefly.inp (generated)

045145051.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045145051.mol 045145051.PUBCHEM 045145051.mol (via Jmol)
045145172.b3lyp_6-31g(d).inp

045145172.b3lyp_6-31g(d).qchem.inp (generated)

045145172.b3lyp_6-31g(d).gjf (generated)

045145172.b3lyp_6-31g(d).firefly.inp (generated)

045145172.b3lyp_6-31g(d).smash.inp (generated)

045145172.b3lyp_6-31g(d).nwchem.inp (generated) 045145172.b3lyp_6-31g(d).log.xz 045145172.td-b3lyp_6-31g+(d).inp 045145172.td-b3lyp_6-31g+(d).log.xz

045145172.td-b3lyp_6-31+g(d).qchem.inp (generated)

045145172.td-b3lyp_6-31+g(d).gjf (generated)

045145172.td-b3lyp_6-31+g(d).firefly.inp (generated)

045145172.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045145172.mol 045145172.PUBCHEM 045145172.mol (via Jmol)
045145247.b3lyp_6-31g(d).inp

045145247.b3lyp_6-31g(d).qchem.inp (generated)

045145247.b3lyp_6-31g(d).gjf (generated)

045145247.b3lyp_6-31g(d).firefly.inp (generated)

045145247.b3lyp_6-31g(d).smash.inp (generated)

045145247.b3lyp_6-31g(d).nwchem.inp (generated) 045145247.b3lyp_6-31g(d).log.xz 045145247.mol 045145247.PUBCHEM 045145247.mol (via Jmol)
045145248.b3lyp_6-31g(d).inp

045145248.b3lyp_6-31g(d).qchem.inp (generated)

045145248.b3lyp_6-31g(d).gjf (generated)

045145248.b3lyp_6-31g(d).firefly.inp (generated)

045145248.b3lyp_6-31g(d).smash.inp (generated)

045145248.b3lyp_6-31g(d).nwchem.inp (generated) 045145248.b3lyp_6-31g(d).log.xz 045145248.mol 045145248.PUBCHEM 045145248.mol (via Jmol)
045145251.b3lyp_6-31g(d).inp

045145251.b3lyp_6-31g(d).qchem.inp (generated)

045145251.b3lyp_6-31g(d).gjf (generated)

045145251.b3lyp_6-31g(d).firefly.inp (generated)

045145251.b3lyp_6-31g(d).smash.inp (generated)

045145251.b3lyp_6-31g(d).nwchem.inp (generated) 045145251.b3lyp_6-31g(d).log.xz 045145251.td-b3lyp_6-31g+(d).inp 045145251.td-b3lyp_6-31g+(d).log.xz

045145251.td-b3lyp_6-31+g(d).qchem.inp (generated)

045145251.td-b3lyp_6-31+g(d).gjf (generated)

045145251.td-b3lyp_6-31+g(d).firefly.inp (generated)

045145251.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045145251.mol 045145251.PUBCHEM 045145251.mol (via Jmol)
045145410.b3lyp_6-31g(d).inp

045145410.b3lyp_6-31g(d).qchem.inp (generated)

045145410.b3lyp_6-31g(d).gjf (generated)

045145410.b3lyp_6-31g(d).firefly.inp (generated)

045145410.b3lyp_6-31g(d).smash.inp (generated)

045145410.b3lyp_6-31g(d).nwchem.inp (generated) 045145410.b3lyp_6-31g(d).log.xz 045145410.td-b3lyp_6-31g+(d).inp 045145410.td-b3lyp_6-31g+(d).log.xz

045145410.td-b3lyp_6-31+g(d).qchem.inp (generated)

045145410.td-b3lyp_6-31+g(d).gjf (generated)

045145410.td-b3lyp_6-31+g(d).firefly.inp (generated)

045145410.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045145410.mol 045145410.PUBCHEM 045145410.mol (via Jmol)
045145414.b3lyp_6-31g(d).inp

045145414.b3lyp_6-31g(d).qchem.inp (generated)

045145414.b3lyp_6-31g(d).gjf (generated)

045145414.b3lyp_6-31g(d).firefly.inp (generated)

045145414.b3lyp_6-31g(d).smash.inp (generated)

045145414.b3lyp_6-31g(d).nwchem.inp (generated) 045145414.b3lyp_6-31g(d).log.xz 045145414.td-b3lyp_6-31g+(d).inp 045145414.td-b3lyp_6-31g+(d).log.xz

045145414.td-b3lyp_6-31+g(d).qchem.inp (generated)

045145414.td-b3lyp_6-31+g(d).gjf (generated)

045145414.td-b3lyp_6-31+g(d).firefly.inp (generated)

045145414.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045145414.mol 045145414.PUBCHEM 045145414.mol (via Jmol)
045145422.b3lyp_6-31g(d).inp

045145422.b3lyp_6-31g(d).qchem.inp (generated)

045145422.b3lyp_6-31g(d).gjf (generated)

045145422.b3lyp_6-31g(d).firefly.inp (generated)

045145422.b3lyp_6-31g(d).smash.inp (generated)

045145422.b3lyp_6-31g(d).nwchem.inp (generated) 045145422.b3lyp_6-31g(d).log.xz 045145422.td-b3lyp_6-31g+(d).inp 045145422.td-b3lyp_6-31g+(d).log.xz

045145422.td-b3lyp_6-31+g(d).qchem.inp (generated)

045145422.td-b3lyp_6-31+g(d).gjf (generated)

045145422.td-b3lyp_6-31+g(d).firefly.inp (generated)

045145422.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045145422.mol 045145422.PUBCHEM 045145422.mol (via Jmol)
045145955.b3lyp_6-31g(d).inp

045145955.b3lyp_6-31g(d).qchem.inp (generated)

045145955.b3lyp_6-31g(d).gjf (generated)

045145955.b3lyp_6-31g(d).firefly.inp (generated)

045145955.b3lyp_6-31g(d).smash.inp (generated)

045145955.b3lyp_6-31g(d).nwchem.inp (generated) 045145955.b3lyp_6-31g(d).log.xz 045145955.td-b3lyp_6-31g+(d).inp 045145955.td-b3lyp_6-31g+(d).log.xz

045145955.td-b3lyp_6-31+g(d).qchem.inp (generated)

045145955.td-b3lyp_6-31+g(d).gjf (generated)

045145955.td-b3lyp_6-31+g(d).firefly.inp (generated)

045145955.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045145955.mol 045145955.PUBCHEM 045145955.mol (via Jmol)
045146232.b3lyp_6-31g(d).inp

045146232.b3lyp_6-31g(d).qchem.inp (generated)

045146232.b3lyp_6-31g(d).gjf (generated)

045146232.b3lyp_6-31g(d).firefly.inp (generated)

045146232.b3lyp_6-31g(d).smash.inp (generated)

045146232.b3lyp_6-31g(d).nwchem.inp (generated) 045146232.b3lyp_6-31g(d).log.xz 045146232.td-b3lyp_6-31g+(d).inp 045146232.td-b3lyp_6-31g+(d).log.xz

045146232.td-b3lyp_6-31+g(d).qchem.inp (generated)

045146232.td-b3lyp_6-31+g(d).gjf (generated)

045146232.td-b3lyp_6-31+g(d).firefly.inp (generated)

045146232.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045146232.mol 045146232.PUBCHEM 045146232.mol (via Jmol)
045146335.b3lyp_6-31g(d).inp

045146335.b3lyp_6-31g(d).qchem.inp (generated)

045146335.b3lyp_6-31g(d).gjf (generated)

045146335.b3lyp_6-31g(d).firefly.inp (generated)

045146335.b3lyp_6-31g(d).smash.inp (generated)

045146335.b3lyp_6-31g(d).nwchem.inp (generated) 045146335.b3lyp_6-31g(d).log.xz 045146335.td-b3lyp_6-31g+(d).inp 045146335.td-b3lyp_6-31g+(d).log.xz

045146335.td-b3lyp_6-31+g(d).qchem.inp (generated)

045146335.td-b3lyp_6-31+g(d).gjf (generated)

045146335.td-b3lyp_6-31+g(d).firefly.inp (generated)

045146335.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045146335.mol 045146335.PUBCHEM 045146335.mol (via Jmol)
045146342.b3lyp_6-31g(d).inp

045146342.b3lyp_6-31g(d).qchem.inp (generated)

045146342.b3lyp_6-31g(d).gjf (generated)

045146342.b3lyp_6-31g(d).firefly.inp (generated)

045146342.b3lyp_6-31g(d).smash.inp (generated)

045146342.b3lyp_6-31g(d).nwchem.inp (generated) 045146342.b3lyp_6-31g(d).log.xz 045146342.mol 045146342.PUBCHEM 045146342.mol (via Jmol)
045146364.b3lyp_6-31g(d).inp

045146364.b3lyp_6-31g(d).qchem.inp (generated)

045146364.b3lyp_6-31g(d).gjf (generated)

045146364.b3lyp_6-31g(d).firefly.inp (generated)

045146364.b3lyp_6-31g(d).smash.inp (generated)

045146364.b3lyp_6-31g(d).nwchem.inp (generated) 045146364.b3lyp_6-31g(d).log.xz 045146364.td-b3lyp_6-31g+(d).inp 045146364.td-b3lyp_6-31g+(d).log.xz

045146364.td-b3lyp_6-31+g(d).qchem.inp (generated)

045146364.td-b3lyp_6-31+g(d).gjf (generated)

045146364.td-b3lyp_6-31+g(d).firefly.inp (generated)

045146364.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045146364.mol 045146364.PUBCHEM 045146364.mol (via Jmol)
045146413.b3lyp_6-31g(d).inp

045146413.b3lyp_6-31g(d).qchem.inp (generated)

045146413.b3lyp_6-31g(d).gjf (generated)

045146413.b3lyp_6-31g(d).firefly.inp (generated)

045146413.b3lyp_6-31g(d).smash.inp (generated)

045146413.b3lyp_6-31g(d).nwchem.inp (generated) 045146413.b3lyp_6-31g(d).log.xz 045146413.td-b3lyp_6-31g+(d).inp 045146413.td-b3lyp_6-31g+(d).log.xz

045146413.td-b3lyp_6-31+g(d).qchem.inp (generated)

045146413.td-b3lyp_6-31+g(d).gjf (generated)

045146413.td-b3lyp_6-31+g(d).firefly.inp (generated)

045146413.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045146413.mol 045146413.PUBCHEM 045146413.mol (via Jmol)
045146449.b3lyp_6-31g(d).inp

045146449.b3lyp_6-31g(d).qchem.inp (generated)

045146449.b3lyp_6-31g(d).gjf (generated)

045146449.b3lyp_6-31g(d).firefly.inp (generated)

045146449.b3lyp_6-31g(d).smash.inp (generated)

045146449.b3lyp_6-31g(d).nwchem.inp (generated) 045146449.b3lyp_6-31g(d).log.xz 045146449.td-b3lyp_6-31g+(d).inp 045146449.td-b3lyp_6-31g+(d).log.xz

045146449.td-b3lyp_6-31+g(d).qchem.inp (generated)

045146449.td-b3lyp_6-31+g(d).gjf (generated)

045146449.td-b3lyp_6-31+g(d).firefly.inp (generated)

045146449.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045146449.mol 045146449.PUBCHEM 045146449.mol (via Jmol)
045146464.b3lyp_6-31g(d).inp

045146464.b3lyp_6-31g(d).qchem.inp (generated)

045146464.b3lyp_6-31g(d).gjf (generated)

045146464.b3lyp_6-31g(d).firefly.inp (generated)

045146464.b3lyp_6-31g(d).smash.inp (generated)

045146464.b3lyp_6-31g(d).nwchem.inp (generated) 045146464.b3lyp_6-31g(d).log.xz 045146464.td-b3lyp_6-31g+(d).inp 045146464.td-b3lyp_6-31g+(d).log.xz

045146464.td-b3lyp_6-31+g(d).qchem.inp (generated)

045146464.td-b3lyp_6-31+g(d).gjf (generated)

045146464.td-b3lyp_6-31+g(d).firefly.inp (generated)

045146464.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045146464.mol 045146464.PUBCHEM 045146464.mol (via Jmol)
045146496.b3lyp_6-31g(d).inp

045146496.b3lyp_6-31g(d).qchem.inp (generated)

045146496.b3lyp_6-31g(d).gjf (generated)

045146496.b3lyp_6-31g(d).firefly.inp (generated)

045146496.b3lyp_6-31g(d).smash.inp (generated)

045146496.b3lyp_6-31g(d).nwchem.inp (generated) 045146496.b3lyp_6-31g(d).log.xz 045146496.td-b3lyp_6-31g+(d).inp 045146496.td-b3lyp_6-31g+(d).log.xz

045146496.td-b3lyp_6-31+g(d).qchem.inp (generated)

045146496.td-b3lyp_6-31+g(d).gjf (generated)

045146496.td-b3lyp_6-31+g(d).firefly.inp (generated)

045146496.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045146496.mol 045146496.PUBCHEM 045146496.mol (via Jmol)
045146525.b3lyp_6-31g(d).inp

045146525.b3lyp_6-31g(d).qchem.inp (generated)

045146525.b3lyp_6-31g(d).gjf (generated)

045146525.b3lyp_6-31g(d).firefly.inp (generated)

045146525.b3lyp_6-31g(d).smash.inp (generated)

045146525.b3lyp_6-31g(d).nwchem.inp (generated) 045146525.b3lyp_6-31g(d).log.xz 045146525.td-b3lyp_6-31g+(d).inp 045146525.td-b3lyp_6-31g+(d).log.xz

045146525.td-b3lyp_6-31+g(d).qchem.inp (generated)

045146525.td-b3lyp_6-31+g(d).gjf (generated)

045146525.td-b3lyp_6-31+g(d).firefly.inp (generated)

045146525.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045146525.mol 045146525.PUBCHEM 045146525.mol (via Jmol)
045146571.b3lyp_6-31g(d).inp

045146571.b3lyp_6-31g(d).qchem.inp (generated)

045146571.b3lyp_6-31g(d).gjf (generated)

045146571.b3lyp_6-31g(d).firefly.inp (generated)

045146571.b3lyp_6-31g(d).smash.inp (generated)

045146571.b3lyp_6-31g(d).nwchem.inp (generated) 045146571.b3lyp_6-31g(d).log.xz 045146571.td-b3lyp_6-31g+(d).inp 045146571.td-b3lyp_6-31g+(d).log.xz

045146571.td-b3lyp_6-31+g(d).qchem.inp (generated)

045146571.td-b3lyp_6-31+g(d).gjf (generated)

045146571.td-b3lyp_6-31+g(d).firefly.inp (generated)

045146571.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045146571.mol 045146571.PUBCHEM 045146571.mol (via Jmol)
045146572.b3lyp_6-31g(d).inp

045146572.b3lyp_6-31g(d).qchem.inp (generated)

045146572.b3lyp_6-31g(d).gjf (generated)

045146572.b3lyp_6-31g(d).firefly.inp (generated)

045146572.b3lyp_6-31g(d).smash.inp (generated)

045146572.b3lyp_6-31g(d).nwchem.inp (generated) 045146572.b3lyp_6-31g(d).log.xz 045146572.td-b3lyp_6-31g+(d).inp 045146572.td-b3lyp_6-31g+(d).log.xz

045146572.td-b3lyp_6-31+g(d).qchem.inp (generated)

045146572.td-b3lyp_6-31+g(d).gjf (generated)

045146572.td-b3lyp_6-31+g(d).firefly.inp (generated)

045146572.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045146572.mol 045146572.PUBCHEM 045146572.mol (via Jmol)
045146580.b3lyp_6-31g(d).inp

045146580.b3lyp_6-31g(d).qchem.inp (generated)

045146580.b3lyp_6-31g(d).gjf (generated)

045146580.b3lyp_6-31g(d).firefly.inp (generated)

045146580.b3lyp_6-31g(d).smash.inp (generated)

045146580.b3lyp_6-31g(d).nwchem.inp (generated) 045146580.b3lyp_6-31g(d).log.xz 045146580.td-b3lyp_6-31g+(d).inp 045146580.td-b3lyp_6-31g+(d).log.xz

045146580.td-b3lyp_6-31+g(d).qchem.inp (generated)

045146580.td-b3lyp_6-31+g(d).gjf (generated)

045146580.td-b3lyp_6-31+g(d).firefly.inp (generated)

045146580.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045146580.mol 045146580.PUBCHEM 045146580.mol (via Jmol)
045146596.b3lyp_6-31g(d).inp

045146596.b3lyp_6-31g(d).qchem.inp (generated)

045146596.b3lyp_6-31g(d).gjf (generated)

045146596.b3lyp_6-31g(d).firefly.inp (generated)

045146596.b3lyp_6-31g(d).smash.inp (generated)

045146596.b3lyp_6-31g(d).nwchem.inp (generated) 045146596.b3lyp_6-31g(d).log.xz 045146596.td-b3lyp_6-31g+(d).inp 045146596.td-b3lyp_6-31g+(d).log.xz

045146596.td-b3lyp_6-31+g(d).qchem.inp (generated)

045146596.td-b3lyp_6-31+g(d).gjf (generated)

045146596.td-b3lyp_6-31+g(d).firefly.inp (generated)

045146596.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045146596.mol 045146596.PUBCHEM 045146596.mol (via Jmol)
045146656.b3lyp_6-31g(d).inp

045146656.b3lyp_6-31g(d).qchem.inp (generated)

045146656.b3lyp_6-31g(d).gjf (generated)

045146656.b3lyp_6-31g(d).firefly.inp (generated)

045146656.b3lyp_6-31g(d).smash.inp (generated)

045146656.b3lyp_6-31g(d).nwchem.inp (generated) 045146656.b3lyp_6-31g(d).log.xz 045146656.td-b3lyp_6-31g+(d).inp 045146656.td-b3lyp_6-31g+(d).log.xz

045146656.td-b3lyp_6-31+g(d).qchem.inp (generated)

045146656.td-b3lyp_6-31+g(d).gjf (generated)

045146656.td-b3lyp_6-31+g(d).firefly.inp (generated)

045146656.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045146656.mol 045146656.PUBCHEM 045146656.mol (via Jmol)
045146669.b3lyp_6-31g(d).inp

045146669.b3lyp_6-31g(d).qchem.inp (generated)

045146669.b3lyp_6-31g(d).gjf (generated)

045146669.b3lyp_6-31g(d).firefly.inp (generated)

045146669.b3lyp_6-31g(d).smash.inp (generated)

045146669.b3lyp_6-31g(d).nwchem.inp (generated) 045146669.b3lyp_6-31g(d).log.xz 045146669.td-b3lyp_6-31g+(d).inp 045146669.td-b3lyp_6-31g+(d).log.xz

045146669.td-b3lyp_6-31+g(d).qchem.inp (generated)

045146669.td-b3lyp_6-31+g(d).gjf (generated)

045146669.td-b3lyp_6-31+g(d).firefly.inp (generated)

045146669.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045146669.mol 045146669.PUBCHEM 045146669.mol (via Jmol)
045146738.b3lyp_6-31g(d).inp

045146738.b3lyp_6-31g(d).qchem.inp (generated)

045146738.b3lyp_6-31g(d).gjf (generated)

045146738.b3lyp_6-31g(d).firefly.inp (generated)

045146738.b3lyp_6-31g(d).smash.inp (generated)

045146738.b3lyp_6-31g(d).nwchem.inp (generated) 045146738.b3lyp_6-31g(d).log.xz 045146738.td-b3lyp_6-31g+(d).inp 045146738.td-b3lyp_6-31g+(d).log.xz

045146738.td-b3lyp_6-31+g(d).qchem.inp (generated)

045146738.td-b3lyp_6-31+g(d).gjf (generated)

045146738.td-b3lyp_6-31+g(d).firefly.inp (generated)

045146738.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045146738.mol 045146738.PUBCHEM 045146738.mol (via Jmol)
045146815.b3lyp_6-31g(d).inp

045146815.b3lyp_6-31g(d).qchem.inp (generated)

045146815.b3lyp_6-31g(d).gjf (generated)

045146815.b3lyp_6-31g(d).firefly.inp (generated)

045146815.b3lyp_6-31g(d).smash.inp (generated)

045146815.b3lyp_6-31g(d).nwchem.inp (generated) 045146815.b3lyp_6-31g(d).log.xz 045146815.td-b3lyp_6-31g+(d).inp 045146815.td-b3lyp_6-31g+(d).log.xz

045146815.td-b3lyp_6-31+g(d).qchem.inp (generated)

045146815.td-b3lyp_6-31+g(d).gjf (generated)

045146815.td-b3lyp_6-31+g(d).firefly.inp (generated)

045146815.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045146815.mol 045146815.PUBCHEM 045146815.mol (via Jmol)
045146867.b3lyp_6-31g(d).inp

045146867.b3lyp_6-31g(d).qchem.inp (generated)

045146867.b3lyp_6-31g(d).gjf (generated)

045146867.b3lyp_6-31g(d).firefly.inp (generated)

045146867.b3lyp_6-31g(d).smash.inp (generated)

045146867.b3lyp_6-31g(d).nwchem.inp (generated) 045146867.b3lyp_6-31g(d).log.xz 045146867.td-b3lyp_6-31g+(d).inp 045146867.td-b3lyp_6-31g+(d).log.xz

045146867.td-b3lyp_6-31+g(d).qchem.inp (generated)

045146867.td-b3lyp_6-31+g(d).gjf (generated)

045146867.td-b3lyp_6-31+g(d).firefly.inp (generated)

045146867.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045146867.mol 045146867.PUBCHEM 045146867.mol (via Jmol)
045146896.b3lyp_6-31g(d).inp

045146896.b3lyp_6-31g(d).qchem.inp (generated)

045146896.b3lyp_6-31g(d).gjf (generated)

045146896.b3lyp_6-31g(d).firefly.inp (generated)

045146896.b3lyp_6-31g(d).smash.inp (generated)

045146896.b3lyp_6-31g(d).nwchem.inp (generated) 045146896.b3lyp_6-31g(d).log.xz 045146896.td-b3lyp_6-31g+(d).inp 045146896.td-b3lyp_6-31g+(d).log.xz

045146896.td-b3lyp_6-31+g(d).qchem.inp (generated)

045146896.td-b3lyp_6-31+g(d).gjf (generated)

045146896.td-b3lyp_6-31+g(d).firefly.inp (generated)

045146896.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045146896.mol 045146896.PUBCHEM 045146896.mol (via Jmol)
045146942.b3lyp_6-31g(d).inp

045146942.b3lyp_6-31g(d).qchem.inp (generated)

045146942.b3lyp_6-31g(d).gjf (generated)

045146942.b3lyp_6-31g(d).firefly.inp (generated)

045146942.b3lyp_6-31g(d).smash.inp (generated)

045146942.b3lyp_6-31g(d).nwchem.inp (generated) 045146942.b3lyp_6-31g(d).log.xz 045146942.td-b3lyp_6-31g+(d).inp 045146942.td-b3lyp_6-31g+(d).log.xz

045146942.td-b3lyp_6-31+g(d).qchem.inp (generated)

045146942.td-b3lyp_6-31+g(d).gjf (generated)

045146942.td-b3lyp_6-31+g(d).firefly.inp (generated)

045146942.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045146942.mol 045146942.PUBCHEM 045146942.mol (via Jmol)
045146943.b3lyp_6-31g(d).inp

045146943.b3lyp_6-31g(d).qchem.inp (generated)

045146943.b3lyp_6-31g(d).gjf (generated)

045146943.b3lyp_6-31g(d).firefly.inp (generated)

045146943.b3lyp_6-31g(d).smash.inp (generated)

045146943.b3lyp_6-31g(d).nwchem.inp (generated) 045146943.b3lyp_6-31g(d).log.xz 045146943.td-b3lyp_6-31g+(d).inp 045146943.td-b3lyp_6-31g+(d).log.xz

045146943.td-b3lyp_6-31+g(d).qchem.inp (generated)

045146943.td-b3lyp_6-31+g(d).gjf (generated)

045146943.td-b3lyp_6-31+g(d).firefly.inp (generated)

045146943.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045146943.mol 045146943.PUBCHEM 045146943.mol (via Jmol)
045147053.b3lyp_6-31g(d).inp

045147053.b3lyp_6-31g(d).qchem.inp (generated)

045147053.b3lyp_6-31g(d).gjf (generated)

045147053.b3lyp_6-31g(d).firefly.inp (generated)

045147053.b3lyp_6-31g(d).smash.inp (generated)

045147053.b3lyp_6-31g(d).nwchem.inp (generated) 045147053.b3lyp_6-31g(d).log.xz 045147053.td-b3lyp_6-31g+(d).inp 045147053.td-b3lyp_6-31g+(d).log.xz

045147053.td-b3lyp_6-31+g(d).qchem.inp (generated)

045147053.td-b3lyp_6-31+g(d).gjf (generated)

045147053.td-b3lyp_6-31+g(d).firefly.inp (generated)

045147053.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045147053.mol 045147053.PUBCHEM 045147053.mol (via Jmol)
045147055.b3lyp_6-31g(d).inp

045147055.b3lyp_6-31g(d).qchem.inp (generated)

045147055.b3lyp_6-31g(d).gjf (generated)

045147055.b3lyp_6-31g(d).firefly.inp (generated)

045147055.b3lyp_6-31g(d).smash.inp (generated)

045147055.b3lyp_6-31g(d).nwchem.inp (generated) 045147055.b3lyp_6-31g(d).log.xz 045147055.td-b3lyp_6-31g+(d).inp 045147055.td-b3lyp_6-31g+(d).log.xz

045147055.td-b3lyp_6-31+g(d).qchem.inp (generated)

045147055.td-b3lyp_6-31+g(d).gjf (generated)

045147055.td-b3lyp_6-31+g(d).firefly.inp (generated)

045147055.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045147055.mol 045147055.PUBCHEM 045147055.mol (via Jmol)
045147065.b3lyp_6-31g(d).inp

045147065.b3lyp_6-31g(d).qchem.inp (generated)

045147065.b3lyp_6-31g(d).gjf (generated)

045147065.b3lyp_6-31g(d).firefly.inp (generated)

045147065.b3lyp_6-31g(d).smash.inp (generated)

045147065.b3lyp_6-31g(d).nwchem.inp (generated) 045147065.b3lyp_6-31g(d).log.xz 045147065.td-b3lyp_6-31g+(d).inp 045147065.td-b3lyp_6-31g+(d).log.xz

045147065.td-b3lyp_6-31+g(d).qchem.inp (generated)

045147065.td-b3lyp_6-31+g(d).gjf (generated)

045147065.td-b3lyp_6-31+g(d).firefly.inp (generated)

045147065.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045147065.mol 045147065.PUBCHEM 045147065.mol (via Jmol)
045147079.b3lyp_6-31g(d).inp

045147079.b3lyp_6-31g(d).qchem.inp (generated)

045147079.b3lyp_6-31g(d).gjf (generated)

045147079.b3lyp_6-31g(d).firefly.inp (generated)

045147079.b3lyp_6-31g(d).smash.inp (generated)

045147079.b3lyp_6-31g(d).nwchem.inp (generated) 045147079.b3lyp_6-31g(d).log.xz 045147079.td-b3lyp_6-31g+(d).inp 045147079.td-b3lyp_6-31g+(d).log.xz

045147079.td-b3lyp_6-31+g(d).qchem.inp (generated)

045147079.td-b3lyp_6-31+g(d).gjf (generated)

045147079.td-b3lyp_6-31+g(d).firefly.inp (generated)

045147079.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045147079.mol 045147079.PUBCHEM 045147079.mol (via Jmol)
045147094.b3lyp_6-31g(d).inp

045147094.b3lyp_6-31g(d).qchem.inp (generated)

045147094.b3lyp_6-31g(d).gjf (generated)

045147094.b3lyp_6-31g(d).firefly.inp (generated)

045147094.b3lyp_6-31g(d).smash.inp (generated)

045147094.b3lyp_6-31g(d).nwchem.inp (generated) 045147094.b3lyp_6-31g(d).log.xz 045147094.mol 045147094.PUBCHEM 045147094.mol (via Jmol)
045147146.b3lyp_6-31g(d).inp

045147146.b3lyp_6-31g(d).qchem.inp (generated)

045147146.b3lyp_6-31g(d).gjf (generated)

045147146.b3lyp_6-31g(d).firefly.inp (generated)

045147146.b3lyp_6-31g(d).smash.inp (generated)

045147146.b3lyp_6-31g(d).nwchem.inp (generated) 045147146.b3lyp_6-31g(d).log.xz 045147146.td-b3lyp_6-31g+(d).inp 045147146.td-b3lyp_6-31g+(d).log.xz

045147146.td-b3lyp_6-31+g(d).qchem.inp (generated)

045147146.td-b3lyp_6-31+g(d).gjf (generated)

045147146.td-b3lyp_6-31+g(d).firefly.inp (generated)

045147146.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045147146.mol 045147146.PUBCHEM 045147146.mol (via Jmol)
045147147.b3lyp_6-31g(d).inp

045147147.b3lyp_6-31g(d).qchem.inp (generated)

045147147.b3lyp_6-31g(d).gjf (generated)

045147147.b3lyp_6-31g(d).firefly.inp (generated)

045147147.b3lyp_6-31g(d).smash.inp (generated)

045147147.b3lyp_6-31g(d).nwchem.inp (generated) 045147147.b3lyp_6-31g(d).log.xz 045147147.td-b3lyp_6-31g+(d).inp 045147147.td-b3lyp_6-31g+(d).log.xz

045147147.td-b3lyp_6-31+g(d).qchem.inp (generated)

045147147.td-b3lyp_6-31+g(d).gjf (generated)

045147147.td-b3lyp_6-31+g(d).firefly.inp (generated)

045147147.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045147147.mol 045147147.PUBCHEM 045147147.mol (via Jmol)
045147148.b3lyp_6-31g(d).inp

045147148.b3lyp_6-31g(d).qchem.inp (generated)

045147148.b3lyp_6-31g(d).gjf (generated)

045147148.b3lyp_6-31g(d).firefly.inp (generated)

045147148.b3lyp_6-31g(d).smash.inp (generated)

045147148.b3lyp_6-31g(d).nwchem.inp (generated) 045147148.b3lyp_6-31g(d).log.xz 045147148.mol 045147148.PUBCHEM 045147148.mol (via Jmol)
045147192.b3lyp_6-31g(d).inp

045147192.b3lyp_6-31g(d).qchem.inp (generated)

045147192.b3lyp_6-31g(d).gjf (generated)

045147192.b3lyp_6-31g(d).firefly.inp (generated)

045147192.b3lyp_6-31g(d).smash.inp (generated)

045147192.b3lyp_6-31g(d).nwchem.inp (generated) 045147192.b3lyp_6-31g(d).log.xz 045147192.td-b3lyp_6-31g+(d).inp 045147192.td-b3lyp_6-31g+(d).log.xz

045147192.td-b3lyp_6-31+g(d).qchem.inp (generated)

045147192.td-b3lyp_6-31+g(d).gjf (generated)

045147192.td-b3lyp_6-31+g(d).firefly.inp (generated)

045147192.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045147192.mol 045147192.PUBCHEM 045147192.mol (via Jmol)
045147195.b3lyp_6-31g(d).inp

045147195.b3lyp_6-31g(d).qchem.inp (generated)

045147195.b3lyp_6-31g(d).gjf (generated)

045147195.b3lyp_6-31g(d).firefly.inp (generated)

045147195.b3lyp_6-31g(d).smash.inp (generated)

045147195.b3lyp_6-31g(d).nwchem.inp (generated) 045147195.b3lyp_6-31g(d).log.xz 045147195.mol 045147195.PUBCHEM 045147195.mol (via Jmol)
045147209.b3lyp_6-31g(d).inp

045147209.b3lyp_6-31g(d).qchem.inp (generated)

045147209.b3lyp_6-31g(d).gjf (generated)

045147209.b3lyp_6-31g(d).firefly.inp (generated)

045147209.b3lyp_6-31g(d).smash.inp (generated)

045147209.b3lyp_6-31g(d).nwchem.inp (generated) 045147209.b3lyp_6-31g(d).log.xz 045147209.td-b3lyp_6-31g+(d).inp 045147209.td-b3lyp_6-31g+(d).log.xz

045147209.td-b3lyp_6-31+g(d).qchem.inp (generated)

045147209.td-b3lyp_6-31+g(d).gjf (generated)

045147209.td-b3lyp_6-31+g(d).firefly.inp (generated)

045147209.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045147209.mol 045147209.PUBCHEM 045147209.mol (via Jmol)
045147210.b3lyp_6-31g(d).inp

045147210.b3lyp_6-31g(d).qchem.inp (generated)

045147210.b3lyp_6-31g(d).gjf (generated)

045147210.b3lyp_6-31g(d).firefly.inp (generated)

045147210.b3lyp_6-31g(d).smash.inp (generated)

045147210.b3lyp_6-31g(d).nwchem.inp (generated) 045147210.b3lyp_6-31g(d).log.xz 045147210.td-b3lyp_6-31g+(d).inp 045147210.td-b3lyp_6-31g+(d).log.xz

045147210.td-b3lyp_6-31+g(d).qchem.inp (generated)

045147210.td-b3lyp_6-31+g(d).gjf (generated)

045147210.td-b3lyp_6-31+g(d).firefly.inp (generated)

045147210.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045147210.mol 045147210.PUBCHEM 045147210.mol (via Jmol)
045147216.b3lyp_6-31g(d).inp

045147216.b3lyp_6-31g(d).qchem.inp (generated)

045147216.b3lyp_6-31g(d).gjf (generated)

045147216.b3lyp_6-31g(d).firefly.inp (generated)

045147216.b3lyp_6-31g(d).smash.inp (generated)

045147216.b3lyp_6-31g(d).nwchem.inp (generated) 045147216.b3lyp_6-31g(d).log.xz 045147216.mol 045147216.PUBCHEM 045147216.mol (via Jmol)
045147225.b3lyp_6-31g(d).inp

045147225.b3lyp_6-31g(d).qchem.inp (generated)

045147225.b3lyp_6-31g(d).gjf (generated)

045147225.b3lyp_6-31g(d).firefly.inp (generated)

045147225.b3lyp_6-31g(d).smash.inp (generated)

045147225.b3lyp_6-31g(d).nwchem.inp (generated) 045147225.b3lyp_6-31g(d).log.xz 045147225.td-b3lyp_6-31g+(d).inp 045147225.td-b3lyp_6-31g+(d).log.xz

045147225.td-b3lyp_6-31+g(d).qchem.inp (generated)

045147225.td-b3lyp_6-31+g(d).gjf (generated)

045147225.td-b3lyp_6-31+g(d).firefly.inp (generated)

045147225.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045147225.mol 045147225.PUBCHEM 045147225.mol (via Jmol)
045147327.b3lyp_6-31g(d).inp

045147327.b3lyp_6-31g(d).qchem.inp (generated)

045147327.b3lyp_6-31g(d).gjf (generated)

045147327.b3lyp_6-31g(d).firefly.inp (generated)

045147327.b3lyp_6-31g(d).smash.inp (generated)

045147327.b3lyp_6-31g(d).nwchem.inp (generated) 045147327.b3lyp_6-31g(d).log.xz 045147327.mol 045147327.PUBCHEM 045147327.mol (via Jmol)
045147442.b3lyp_6-31g(d).inp

045147442.b3lyp_6-31g(d).qchem.inp (generated)

045147442.b3lyp_6-31g(d).gjf (generated)

045147442.b3lyp_6-31g(d).firefly.inp (generated)

045147442.b3lyp_6-31g(d).smash.inp (generated)

045147442.b3lyp_6-31g(d).nwchem.inp (generated) 045147442.b3lyp_6-31g(d).log.xz 045147442.td-b3lyp_6-31g+(d).inp 045147442.td-b3lyp_6-31g+(d).log.xz

045147442.td-b3lyp_6-31+g(d).qchem.inp (generated)

045147442.td-b3lyp_6-31+g(d).gjf (generated)

045147442.td-b3lyp_6-31+g(d).firefly.inp (generated)

045147442.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045147442.mol 045147442.PUBCHEM 045147442.mol (via Jmol)
045147471.b3lyp_6-31g(d).inp

045147471.b3lyp_6-31g(d).qchem.inp (generated)

045147471.b3lyp_6-31g(d).gjf (generated)

045147471.b3lyp_6-31g(d).firefly.inp (generated)

045147471.b3lyp_6-31g(d).smash.inp (generated)

045147471.b3lyp_6-31g(d).nwchem.inp (generated) 045147471.b3lyp_6-31g(d).log.xz 045147471.td-b3lyp_6-31g+(d).inp 045147471.td-b3lyp_6-31g+(d).log.xz

045147471.td-b3lyp_6-31+g(d).qchem.inp (generated)

045147471.td-b3lyp_6-31+g(d).gjf (generated)

045147471.td-b3lyp_6-31+g(d).firefly.inp (generated)

045147471.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045147471.mol 045147471.PUBCHEM 045147471.mol (via Jmol)
045147472.b3lyp_6-31g(d).inp

045147472.b3lyp_6-31g(d).qchem.inp (generated)

045147472.b3lyp_6-31g(d).gjf (generated)

045147472.b3lyp_6-31g(d).firefly.inp (generated)

045147472.b3lyp_6-31g(d).smash.inp (generated)

045147472.b3lyp_6-31g(d).nwchem.inp (generated) 045147472.b3lyp_6-31g(d).log.xz 045147472.td-b3lyp_6-31g+(d).inp 045147472.td-b3lyp_6-31g+(d).log.xz

045147472.td-b3lyp_6-31+g(d).qchem.inp (generated)

045147472.td-b3lyp_6-31+g(d).gjf (generated)

045147472.td-b3lyp_6-31+g(d).firefly.inp (generated)

045147472.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045147472.mol 045147472.PUBCHEM 045147472.mol (via Jmol)
045147473.b3lyp_6-31g(d).inp

045147473.b3lyp_6-31g(d).qchem.inp (generated)

045147473.b3lyp_6-31g(d).gjf (generated)

045147473.b3lyp_6-31g(d).firefly.inp (generated)

045147473.b3lyp_6-31g(d).smash.inp (generated)

045147473.b3lyp_6-31g(d).nwchem.inp (generated) 045147473.b3lyp_6-31g(d).log.xz 045147473.mol 045147473.PUBCHEM 045147473.mol (via Jmol)
045147475.b3lyp_6-31g(d).inp

045147475.b3lyp_6-31g(d).qchem.inp (generated)

045147475.b3lyp_6-31g(d).gjf (generated)

045147475.b3lyp_6-31g(d).firefly.inp (generated)

045147475.b3lyp_6-31g(d).smash.inp (generated)

045147475.b3lyp_6-31g(d).nwchem.inp (generated) 045147475.b3lyp_6-31g(d).log.xz 045147475.mol 045147475.PUBCHEM 045147475.mol (via Jmol)
045147476.b3lyp_6-31g(d).inp

045147476.b3lyp_6-31g(d).qchem.inp (generated)

045147476.b3lyp_6-31g(d).gjf (generated)

045147476.b3lyp_6-31g(d).firefly.inp (generated)

045147476.b3lyp_6-31g(d).smash.inp (generated)

045147476.b3lyp_6-31g(d).nwchem.inp (generated) 045147476.b3lyp_6-31g(d).log.xz 045147476.td-b3lyp_6-31g+(d).inp 045147476.td-b3lyp_6-31g+(d).log.xz

045147476.td-b3lyp_6-31+g(d).qchem.inp (generated)

045147476.td-b3lyp_6-31+g(d).gjf (generated)

045147476.td-b3lyp_6-31+g(d).firefly.inp (generated)

045147476.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045147476.mol 045147476.PUBCHEM 045147476.mol (via Jmol)
045147517.b3lyp_6-31g(d).inp

045147517.b3lyp_6-31g(d).qchem.inp (generated)

045147517.b3lyp_6-31g(d).gjf (generated)

045147517.b3lyp_6-31g(d).firefly.inp (generated)

045147517.b3lyp_6-31g(d).smash.inp (generated)

045147517.b3lyp_6-31g(d).nwchem.inp (generated) 045147517.b3lyp_6-31g(d).log.xz 045147517.mol 045147517.PUBCHEM 045147517.mol (via Jmol)
045147519.b3lyp_6-31g(d).inp

045147519.b3lyp_6-31g(d).qchem.inp (generated)

045147519.b3lyp_6-31g(d).gjf (generated)

045147519.b3lyp_6-31g(d).firefly.inp (generated)

045147519.b3lyp_6-31g(d).smash.inp (generated)

045147519.b3lyp_6-31g(d).nwchem.inp (generated) 045147519.b3lyp_6-31g(d).log.xz 045147519.td-b3lyp_6-31g+(d).inp 045147519.td-b3lyp_6-31g+(d).log.xz

045147519.td-b3lyp_6-31+g(d).qchem.inp (generated)

045147519.td-b3lyp_6-31+g(d).gjf (generated)

045147519.td-b3lyp_6-31+g(d).firefly.inp (generated)

045147519.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045147519.mol 045147519.PUBCHEM 045147519.mol (via Jmol)
045147523.b3lyp_6-31g(d).inp

045147523.b3lyp_6-31g(d).qchem.inp (generated)

045147523.b3lyp_6-31g(d).gjf (generated)

045147523.b3lyp_6-31g(d).firefly.inp (generated)

045147523.b3lyp_6-31g(d).smash.inp (generated)

045147523.b3lyp_6-31g(d).nwchem.inp (generated) 045147523.b3lyp_6-31g(d).log.xz 045147523.mol 045147523.PUBCHEM 045147523.mol (via Jmol)
045147525.b3lyp_6-31g(d).inp

045147525.b3lyp_6-31g(d).qchem.inp (generated)

045147525.b3lyp_6-31g(d).gjf (generated)

045147525.b3lyp_6-31g(d).firefly.inp (generated)

045147525.b3lyp_6-31g(d).smash.inp (generated)

045147525.b3lyp_6-31g(d).nwchem.inp (generated) 045147525.b3lyp_6-31g(d).log.xz 045147525.td-b3lyp_6-31g+(d).inp 045147525.td-b3lyp_6-31g+(d).log.xz

045147525.td-b3lyp_6-31+g(d).qchem.inp (generated)

045147525.td-b3lyp_6-31+g(d).gjf (generated)

045147525.td-b3lyp_6-31+g(d).firefly.inp (generated)

045147525.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045147525.mol 045147525.PUBCHEM 045147525.mol (via Jmol)
045147527.b3lyp_6-31g(d).inp

045147527.b3lyp_6-31g(d).qchem.inp (generated)

045147527.b3lyp_6-31g(d).gjf (generated)

045147527.b3lyp_6-31g(d).firefly.inp (generated)

045147527.b3lyp_6-31g(d).smash.inp (generated)

045147527.b3lyp_6-31g(d).nwchem.inp (generated) 045147527.b3lyp_6-31g(d).log.xz 045147527.mol 045147527.PUBCHEM 045147527.mol (via Jmol)
045147529.b3lyp_6-31g(d).inp

045147529.b3lyp_6-31g(d).qchem.inp (generated)

045147529.b3lyp_6-31g(d).gjf (generated)

045147529.b3lyp_6-31g(d).firefly.inp (generated)

045147529.b3lyp_6-31g(d).smash.inp (generated)

045147529.b3lyp_6-31g(d).nwchem.inp (generated) 045147529.b3lyp_6-31g(d).log.xz 045147529.mol 045147529.PUBCHEM 045147529.mol (via Jmol)
045147551.b3lyp_6-31g(d).inp

045147551.b3lyp_6-31g(d).qchem.inp (generated)

045147551.b3lyp_6-31g(d).gjf (generated)

045147551.b3lyp_6-31g(d).firefly.inp (generated)

045147551.b3lyp_6-31g(d).smash.inp (generated)

045147551.b3lyp_6-31g(d).nwchem.inp (generated) 045147551.b3lyp_6-31g(d).log.xz 045147551.td-b3lyp_6-31g+(d).inp 045147551.td-b3lyp_6-31g+(d).log.xz

045147551.td-b3lyp_6-31+g(d).qchem.inp (generated)

045147551.td-b3lyp_6-31+g(d).gjf (generated)

045147551.td-b3lyp_6-31+g(d).firefly.inp (generated)

045147551.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045147551.mol 045147551.PUBCHEM 045147551.mol (via Jmol)
045147620.b3lyp_6-31g(d).inp

045147620.b3lyp_6-31g(d).qchem.inp (generated)

045147620.b3lyp_6-31g(d).gjf (generated)

045147620.b3lyp_6-31g(d).firefly.inp (generated)

045147620.b3lyp_6-31g(d).smash.inp (generated)

045147620.b3lyp_6-31g(d).nwchem.inp (generated) 045147620.b3lyp_6-31g(d).log.xz 045147620.mol 045147620.PUBCHEM 045147620.mol (via Jmol)
045147623.b3lyp_6-31g(d).inp

045147623.b3lyp_6-31g(d).qchem.inp (generated)

045147623.b3lyp_6-31g(d).gjf (generated)

045147623.b3lyp_6-31g(d).firefly.inp (generated)

045147623.b3lyp_6-31g(d).smash.inp (generated)

045147623.b3lyp_6-31g(d).nwchem.inp (generated) 045147623.b3lyp_6-31g(d).log.xz 045147623.td-b3lyp_6-31g+(d).inp 045147623.td-b3lyp_6-31g+(d).log.xz

045147623.td-b3lyp_6-31+g(d).qchem.inp (generated)

045147623.td-b3lyp_6-31+g(d).gjf (generated)

045147623.td-b3lyp_6-31+g(d).firefly.inp (generated)

045147623.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045147623.mol 045147623.PUBCHEM 045147623.mol (via Jmol)
045147825.b3lyp_6-31g(d).inp

045147825.b3lyp_6-31g(d).qchem.inp (generated)

045147825.b3lyp_6-31g(d).gjf (generated)

045147825.b3lyp_6-31g(d).firefly.inp (generated)

045147825.b3lyp_6-31g(d).smash.inp (generated)

045147825.b3lyp_6-31g(d).nwchem.inp (generated) 045147825.b3lyp_6-31g(d).log.xz 045147825.td-b3lyp_6-31g+(d).inp 045147825.td-b3lyp_6-31g+(d).log.xz

045147825.td-b3lyp_6-31+g(d).qchem.inp (generated)

045147825.td-b3lyp_6-31+g(d).gjf (generated)

045147825.td-b3lyp_6-31+g(d).firefly.inp (generated)

045147825.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045147825.mol 045147825.PUBCHEM 045147825.mol (via Jmol)
045148253.b3lyp_6-31g(d).inp

045148253.b3lyp_6-31g(d).qchem.inp (generated)

045148253.b3lyp_6-31g(d).gjf (generated)

045148253.b3lyp_6-31g(d).firefly.inp (generated)

045148253.b3lyp_6-31g(d).smash.inp (generated)

045148253.b3lyp_6-31g(d).nwchem.inp (generated) 045148253.b3lyp_6-31g(d).log.xz 045148253.td-b3lyp_6-31g+(d).inp 045148253.td-b3lyp_6-31g+(d).log.xz

045148253.td-b3lyp_6-31+g(d).qchem.inp (generated)

045148253.td-b3lyp_6-31+g(d).gjf (generated)

045148253.td-b3lyp_6-31+g(d).firefly.inp (generated)

045148253.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045148253.mol 045148253.PUBCHEM 045148253.mol (via Jmol)
045148254.b3lyp_6-31g(d).inp

045148254.b3lyp_6-31g(d).qchem.inp (generated)

045148254.b3lyp_6-31g(d).gjf (generated)

045148254.b3lyp_6-31g(d).firefly.inp (generated)

045148254.b3lyp_6-31g(d).smash.inp (generated)

045148254.b3lyp_6-31g(d).nwchem.inp (generated) 045148254.b3lyp_6-31g(d).log.xz 045148254.mol 045148254.PUBCHEM 045148254.mol (via Jmol)
045148256.b3lyp_6-31g(d).inp

045148256.b3lyp_6-31g(d).qchem.inp (generated)

045148256.b3lyp_6-31g(d).gjf (generated)

045148256.b3lyp_6-31g(d).firefly.inp (generated)

045148256.b3lyp_6-31g(d).smash.inp (generated)

045148256.b3lyp_6-31g(d).nwchem.inp (generated) 045148256.b3lyp_6-31g(d).log.xz 045148256.mol 045148256.PUBCHEM 045148256.mol (via Jmol)
045148257.b3lyp_6-31g(d).inp

045148257.b3lyp_6-31g(d).qchem.inp (generated)

045148257.b3lyp_6-31g(d).gjf (generated)

045148257.b3lyp_6-31g(d).firefly.inp (generated)

045148257.b3lyp_6-31g(d).smash.inp (generated)

045148257.b3lyp_6-31g(d).nwchem.inp (generated) 045148257.b3lyp_6-31g(d).log.xz 045148257.td-b3lyp_6-31g+(d).inp 045148257.td-b3lyp_6-31g+(d).log.xz

045148257.td-b3lyp_6-31+g(d).qchem.inp (generated)

045148257.td-b3lyp_6-31+g(d).gjf (generated)

045148257.td-b3lyp_6-31+g(d).firefly.inp (generated)

045148257.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045148257.mol 045148257.PUBCHEM 045148257.mol (via Jmol)
045148524.b3lyp_6-31g(d).inp

045148524.b3lyp_6-31g(d).qchem.inp (generated)

045148524.b3lyp_6-31g(d).gjf (generated)

045148524.b3lyp_6-31g(d).firefly.inp (generated)

045148524.b3lyp_6-31g(d).smash.inp (generated)

045148524.b3lyp_6-31g(d).nwchem.inp (generated) 045148524.b3lyp_6-31g(d).log.xz 045148524.td-b3lyp_6-31g+(d).inp 045148524.td-b3lyp_6-31g+(d).log.xz

045148524.td-b3lyp_6-31+g(d).qchem.inp (generated)

045148524.td-b3lyp_6-31+g(d).gjf (generated)

045148524.td-b3lyp_6-31+g(d).firefly.inp (generated)

045148524.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045148524.mol 045148524.PUBCHEM 045148524.mol (via Jmol)
045148525.b3lyp_6-31g(d).inp

045148525.b3lyp_6-31g(d).qchem.inp (generated)

045148525.b3lyp_6-31g(d).gjf (generated)

045148525.b3lyp_6-31g(d).firefly.inp (generated)

045148525.b3lyp_6-31g(d).smash.inp (generated)

045148525.b3lyp_6-31g(d).nwchem.inp (generated) 045148525.b3lyp_6-31g(d).log.xz 045148525.td-b3lyp_6-31g+(d).inp 045148525.td-b3lyp_6-31g+(d).log.xz

045148525.td-b3lyp_6-31+g(d).qchem.inp (generated)

045148525.td-b3lyp_6-31+g(d).gjf (generated)

045148525.td-b3lyp_6-31+g(d).firefly.inp (generated)

045148525.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045148525.mol 045148525.PUBCHEM 045148525.mol (via Jmol)
045148625.b3lyp_6-31g(d).inp

045148625.b3lyp_6-31g(d).qchem.inp (generated)

045148625.b3lyp_6-31g(d).gjf (generated)

045148625.b3lyp_6-31g(d).firefly.inp (generated)

045148625.b3lyp_6-31g(d).smash.inp (generated)

045148625.b3lyp_6-31g(d).nwchem.inp (generated) 045148625.b3lyp_6-31g(d).log.xz 045148625.mol 045148625.PUBCHEM 045148625.mol (via Jmol)
045148674.b3lyp_6-31g(d).inp

045148674.b3lyp_6-31g(d).qchem.inp (generated)

045148674.b3lyp_6-31g(d).gjf (generated)

045148674.b3lyp_6-31g(d).firefly.inp (generated)

045148674.b3lyp_6-31g(d).smash.inp (generated)

045148674.b3lyp_6-31g(d).nwchem.inp (generated) 045148674.b3lyp_6-31g(d).log.xz 045148674.td-b3lyp_6-31g+(d).inp 045148674.td-b3lyp_6-31g+(d).log.xz

045148674.td-b3lyp_6-31+g(d).qchem.inp (generated)

045148674.td-b3lyp_6-31+g(d).gjf (generated)

045148674.td-b3lyp_6-31+g(d).firefly.inp (generated)

045148674.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045148674.mol 045148674.PUBCHEM 045148674.mol (via Jmol)
045148675.b3lyp_6-31g(d).inp

045148675.b3lyp_6-31g(d).qchem.inp (generated)

045148675.b3lyp_6-31g(d).gjf (generated)

045148675.b3lyp_6-31g(d).firefly.inp (generated)

045148675.b3lyp_6-31g(d).smash.inp (generated)

045148675.b3lyp_6-31g(d).nwchem.inp (generated) 045148675.b3lyp_6-31g(d).log.xz 045148675.td-b3lyp_6-31g+(d).inp 045148675.td-b3lyp_6-31g+(d).log.xz

045148675.td-b3lyp_6-31+g(d).qchem.inp (generated)

045148675.td-b3lyp_6-31+g(d).gjf (generated)

045148675.td-b3lyp_6-31+g(d).firefly.inp (generated)

045148675.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045148675.mol 045148675.PUBCHEM 045148675.mol (via Jmol)
045148710.b3lyp_6-31g(d).inp

045148710.b3lyp_6-31g(d).qchem.inp (generated)

045148710.b3lyp_6-31g(d).gjf (generated)

045148710.b3lyp_6-31g(d).firefly.inp (generated)

045148710.b3lyp_6-31g(d).smash.inp (generated)

045148710.b3lyp_6-31g(d).nwchem.inp (generated) 045148710.b3lyp_6-31g(d).log.xz 045148710.td-b3lyp_6-31g+(d).inp 045148710.td-b3lyp_6-31g+(d).log.xz

045148710.td-b3lyp_6-31+g(d).qchem.inp (generated)

045148710.td-b3lyp_6-31+g(d).gjf (generated)

045148710.td-b3lyp_6-31+g(d).firefly.inp (generated)

045148710.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045148710.mol 045148710.PUBCHEM 045148710.mol (via Jmol)
045149259.b3lyp_6-31g(d).inp

045149259.b3lyp_6-31g(d).qchem.inp (generated)

045149259.b3lyp_6-31g(d).gjf (generated)

045149259.b3lyp_6-31g(d).firefly.inp (generated)

045149259.b3lyp_6-31g(d).smash.inp (generated)

045149259.b3lyp_6-31g(d).nwchem.inp (generated) 045149259.b3lyp_6-31g(d).log.xz 045149259.td-b3lyp_6-31g+(d).inp 045149259.td-b3lyp_6-31g+(d).log.xz

045149259.td-b3lyp_6-31+g(d).qchem.inp (generated)

045149259.td-b3lyp_6-31+g(d).gjf (generated)

045149259.td-b3lyp_6-31+g(d).firefly.inp (generated)

045149259.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045149259.mol 045149259.PUBCHEM 045149259.mol (via Jmol)


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