%chk=pyridine2Agm1.chk %mem=6MW %nproc=1 #P B3LYP/LANL2DZ opt(VeryTight) Freq=Raman SCF=Tight Int=FineGrid geom=AllCheck Guess=Read Pop=Regular nosymm Title Card Required -1 2 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 Ag 6 B12 1 A11 2 D10 B1=1.38589463 B2=1.43906595 B3=1.43907333 B4=1.38598595 B5=1.41089355 B6=1.08668909 B7=1.08827161 B8=1.09067137 B9=1.09067153 B10=1.08824391 B11=2.16843539 B12=4.83573356 A1=120.90557756 A2=115.87090259 A3=120.93090927 A4=123.5198514 A5=122.06123255 A6=115.44060307 A7=118.55515454 A8=120.51608023 A9=121.05152703 A10=122.22333295 A11=122.36010509 D1=0. D2=0. D3=0. D4=180. D5=180. D6=180. D7=180. D8=180. D9=180. D10=180. 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 7 8 9 10 11 12 13