%chk=Cu1CONBOm4.chk %mem=1400MW %nproc=4 #P B3LYP/LANL2DZ Opt Pop(Full,NBOread,SaveNBOs) nosymm Cu1CONBOm4 -4 2 Cu C 1 R1 O 2 R2 1 A1 Variables: R1 2.0491 R2 1.2251 A1 129.6399 $nbo bndidx $end