%chk=Cu1CONBOTm3.chk %mem=1400MW %nproc=4 #P B3LYP/LANL2DZ Opt nosymm Pop(Regular) Freq=Raman Cu1CONBOTm3 -3 1 Cu C 1 R1 O 2 R2 1 A1 Variables: R1 1.9592 R2 1.1831 A1 140.1941 $nbo bndidx $end