%mem=7700MB %nproc=4 %nosave %chk=pyrZM.chk #P b3lyp/lanl2dz Opt=(CalcAll,VTight) SCF=(Tight) Pop=(Regular) nosymm Int=UltraFine Density=Current geom=(PrintInputOrien,AllCheck) Freq=Raman pyrZM 0 1 N C 1 B1 C 1 B2 2 A1 C 1 B3 3 A2 2 D1 C 3 B4 1 A3 4 D2 C 4 B5 1 A4 3 D3 H 2 B6 6 A5 4 D4 H 3 B7 1 A6 4 D5 H 4 B8 1 A7 3 D6 H 5 B9 3 A8 1 D7 H 6 B10 4 A9 1 D8 B1 2.82860983 B2 1.36201710 B3 1.36650745 B4 1.41586763 B5 1.41879705 B6 1.08633524 B7 1.08707623 B8 1.08780386 B9 1.08494510 B10 1.08510581 A1 59.22875882 A2 118.44443182 A3 122.40979239 A4 122.34165424 A5 120.49436294 A6 116.30338407 A7 116.36279312 A8 119.88255866 A9 119.97866780 D1 0.00297024 D2 0.01111859 D3 -0.00480837 D4 -179.98460764 D5 -179.99696052 D6 -179.99130704 D7 180.00000000 D8 -179.99489866 1 3 1.5 4 1.5 2 5 1.5 6 1.5 7 1.0 3 5 1.5 8 1.0 4 6 1.5 9 1.0 5 10 1.0 6 11 1.0 7 8 9 10