%chk=pyridine6Agp2.chk %mem=60MW %nproc=2 #P B3LYP/LANL2DZ opt Freq=Raman nosymm Pop(Regular) pyridine6Ag +2 2 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 Ag 0 x15 y15 z15 Ag 0 x16 y16 z16 Ag 0 x17 y17 z17 Variables: x1 0.5724780 y1 -0.6693960 z1 -0.8262680 x2 0.7128580 y2 -0.9216460 z2 0.5465780 x3 1.7177960 y3 -0.2463500 z3 1.2648710 x4 2.5504940 y4 0.6605220 z4 0.5823050 x5 2.3528920 y5 0.8631190 z5 -0.7918060 x6 1.3790540 y6 0.2093420 z6 -1.4877360 x7 1.8479710 y7 -0.4216800 z7 2.3286630 x8 -0.1920470 y8 -1.1697820 z8 -1.4112550 x9 0.0490150 y9 -1.6278550 z9 1.0342070 x10 3.3362970 y10 1.2023540 z10 1.0981870 x11 2.9747130 y11 1.5551550 z11 -1.3499390 x12 1.0856880 y12 0.5968420 z12 -3.6795440 x13 0.0530080 y13 1.9869040 z13 -5.8349070 x14 1.7389190 y14 -0.1654960 z14 -6.3410850 x15 0.7808250 y15 1.3807890 z15 -8.5480470 x16 2.4573940 y16 -0.8936550 z16 -8.9838520 x17 3.4133470 y17 -2.3450460 z17 -6.8610440