%chk=pyridine4Au.chk %mem=60MW %nproc=2 #P B3LYP/LANL2DZ OPT geom=AllCheck nosymm Freq=Raman Guess=Read Pop=Regular Title Card Required 0 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 Au 6 B11 1 A10 2 D9 Au 6 B12 1 A11 2 D10 Au 6 B13 1 A12 2 D11 Au 6 B14 1 A13 2 D12 Variables: B1=1.40404575 B2=1.40803261 B3=1.40708777 B4=1.40455354 B5=1.3610541 B6=1.08653392 B7=1.08531477 B8=1.08541668 B9=1.08529668 B10=1.08636199 B11=2.27776919 B12=4.94400376 B13=4.39491475 B14=5.26495972 A1=118.84855051 A2=118.93498597 A3=119.06384567 A4=122.19755093 A5=120.51724495 A6=116.63504564 A7=119.80222695 A8=121.41293415 A9=121.53302837 A10=123.8774718 A11=123.27789525 A12=158.22402359 A13=171.53726057 D1=0.00611705 D2=-0.00057739 D3=-0.00463975 D4=-179.99462021 D5=179.99205117 D6=179.99191626 D7=-179.99736899 D8=179.99008999 D9=179.95187296 D10=179.93952597 D11=-179.83448742 D12=-1.67012301 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 13 1.0 14 1.0 15 1.0 7 8 9 10 11 12 13 14 15