%mem=7700MB %nproc=4 %nosave %chk=Cu10pyrZ00.chk #p b3lyp/lanl2dz Opt=(VTight) SCF=Tight Geom=AllCheck Guess=TCheck Pop=Regular nosymm Int=UltraFine Density=Current --link1-- %chk=Cu10pyrZ00.chk #p b3lyp/lanl2dz SCF=Tight Geom=AllCheck Guess=TCheck Freq=NNRaman CPHF=RdFreq Pop=Regular nosymm Int=UltraFine Density=Current --link1-- %chk=Cu10pyrZ00.chk #p b3lyp/lanl2dz Geom=AllCheck Guess=TCheck SCF=Tight Pop=(Regular,NBORead) nosymm Int=UltraFine Density=Current $NBO bndidx $END --link1-- %chk=Cu10pyrZ00.chk #p b3lyp TD=(NSites=100)/lanl2dz Geom=AllCheck Guess=TCheck Pop=Regular nosymm --link1-- %chk=Cu10pyrZ00.chk #p CIS=(NSites=100)/lanl2dz Geom=AllCheck Guess=TCheck Pop=Regular nosymm