%chk=Cu1CONBOTm1.chk %mem=1400MW %nproc=4 #P B3LYP/LANL2DZ Opt(VeryTight) SCF=Tight Int=FineGrid nosymm Pop(Full,NBOread,SaveNBOs) Cu1CONBOTm1 -1 1 Cu C 1 R1 O 2 R2 1 A1 Variables: R1 1.9592 R2 1.1831 A1 140.1941 $nbo bndidx $end