%chk=p3Agm1.chk %mem=60MW %nproc=2 #P B3LYP/LANL2DZ opt(MaxCycles=900,VeryTight) SCF(MaxCycles=900,Tight,QC) Freq=Raman Int=FineGrid nosymm # Pop=Regular Geom=AllCheck p3Agm1.wfn -1 1 C 0 x1 y1 z1 C 0 x2 y2 z2 C 0 x3 y3 z3 C 0 x4 y4 z4 C 0 x5 y5 z5 N 0 x6 y6 z6 H 0 x7 y7 z7 H 0 x8 y8 z8 H 0 x9 y9 z9 H 0 x10 y10 z10 H 0 x11 y11 z11 Ag 0 x12 y12 z12 Ag 0 x13 y13 z13 Ag 0 x14 y14 z14 Variables: x1 0.0000000 F y1 0.0000000 F z1 0.0000000 F x2 0.0000000 F y2 0.0000000 F z2 1.3858950 x3 1.2347400 y3 0.0000000 F z3 2.1250350 x4 2.4385820 y4 0.0000000 z4 1.3365570 x5 2.3831380 y5 0.0000000 z5 -0.0483200 x6 1.1762540 y6 0.0000000 z6 -0.7791320 x7 1.2566570 y7 0.0000000 z7 3.2115030 x8 -0.9324440 y8 0.0000000 z8 -0.5611450 x9 -0.9579990 y9 0.0000000 z9 1.9072400 x10 3.4166880 y10 0.0000000 z10 1.8191260 x11 3.2922400 y11 0.0000000 z11 -0.6464910 x12 1.1271900 y12 0.0000000 z12 -2.9470120 x13 1.0783790 y13 0.0000000 z13 -5.6138750 x14 1.0423000 y14 0.0000000 z14 -8.2809680 p3Agm1.wfn