%nproc=2 %mem=40MB %chk=pAgm1.chk #P B3LYP/LANL2DZ opt(Z-Matrix,MaxCycles=900) Freq=Raman SCF=(MaxCycles=900) nosymm charge -1 -1 1 C C 1 B1 C 2 B2 1 A1 C 3 B3 2 A2 1 D1 C 4 B4 3 A3 2 D2 N 1 B5 2 A4 3 D3 H 3 B6 2 A5 1 D4 H 1 B7 6 A6 5 D5 H 2 B8 1 A7 6 D6 H 4 B9 3 A8 2 D7 H 5 B10 4 A9 3 D8 Ag 6 B11 1 A10 2 D9 B1=1.40804708 B2=1.40886119 B3=1.40886119 B4=1.40804709 B5=1.36043479 B6=1.09410722 B7=1.08868998 B8=1.08693672 B9=1.08693672 B10=1.08868998 B11=6.77365351 A1=119.07148071 A2=118.06645497 A3=119.07148109 A4=123.27250993 A5=120.96676757 A6=115.78148562 A7=120.63347557 A8=120.29504611 A9=120.94600436 A10=58.62275781 D1=0. D2=0. D3=0. D4=180. D5=180. D6=180. D7=180. D8=180. D9=0. 1 2 1.5 6 1.5 8 1.0 2 3 1.5 9 1.0 3 4 1.5 7 1.0 4 5 1.5 10 1.0 5 6 1.5 11 1.0 6 12 1.0 7 8 9 10 11 12