%chk=Ag1CONBOp1.chk %mem=1400MW %nproc=4 #P B3LYP/LANL2DZ Opt Pop(Full,NBOread,SaveNBOs) nosymm Ag1CONBOp1 1 1 Ag 0 x1 y1 z1 C 0 x2 y2 z2 O 0 x3 y3 z3 Variables: x1 -2.1993610 y1 1.1569950 z1 -0.9201510 x2 -1.5284320 y2 -0.0182760 z2 0.4965040 x3 -0.8138140 y3 -0.9498490 z3 0.6421480 $nbo bndidx $end