ax Tropinone  B3P86/6-31G(3d,3p) opt structure
 
 C
 C,1,B1
 C,2,B2,1,A1
 C,3,B3,2,A2,1,D1,0
 C,4,B4,3,A3,2,D2,0
 C,5,B5,4,A4,3,D3,0
 C,6,B6,5,A5,4,D4,0
 N,5,B7,4,A6,3,D5,0
 H,1,B8,8,A7,5,D6,0
 H,5,B9,4,A8,3,D7,0
 H,2,B10,1,A9,8,D8,0
 H,4,B11,3,A10,2,D9,0
 H,2,B12,1,A11,8,D10,0
 H,4,B13,3,A12,2,D11,0
 H,7,B14,6,A13,5,D12,0
 H,6,B15,5,A14,4,D13,0
 H,7,B16,6,A15,5,D14,0
 H,6,B17,5,A16,4,D15,0
 O,3,B18,2,A17,1,D16,0
 C,8,B19,5,A18,4,D17,0
 H,20,B20,8,A19,5,D18,0
 H,20,B21,8,A20,5,D19,0
 H,20,B22,8,A21,5,D20,0
      Variables:
 B1=1.54765206
 B2=1.51327148
 B3=1.51327148
 B4=1.54765206
 B5=1.53666844
 B6=1.55101058
 B7=1.45809701
 B8=1.09392277
 B9=1.09392277
 B10=1.09217981
 B11=1.09217981
 B12=1.09755096
 B13=1.09755096
 B14=1.09092723
 B15=1.09092723
 B16=1.0921728
 B17=1.0921728
 B18=1.21142742
 B19=1.44108547
 B20=1.09356487
 B21=1.09356487
 B22=1.10389422
 A1=110.29676895
 A2=114.80813524
 A3=110.29676895
 A4=110.90974363
 A5=103.90243009
 A6=111.84306795
 A7=110.10992416
 A8=109.66667684
 A9=112.31324474
 A10=108.84614521
 A11=109.28764157
 A12=108.41388778
 A13=110.70830184
 A14=110.1536795
 A15=112.60398259
 A16=111.85198999
 A17=122.5727152
 A18=117.86105549
 A19=109.27914877
 A20=109.27914877
 A21=115.44396551
 D1=-41.84914309
 D2=41.84914309
 D3=55.80343884
 D4=-89.89729712
 D5=-56.55842355
 D6=169.006491
 D7=-179.01239398
 D8=178.16439564
 D9=165.48927893
 D10=-62.5358051
 D11=-77.77539311
 D12=-118.23071315
 D13=151.4902265
 D14=121.2250585
 D15=31.82972253
 D16=135.72984645
 D17=-63.27389845
 D18=-176.09511783
 D19=-58.65564233
 D20=62.62461992
 
 
  tropinone_ax_zm.html
  Last modified: 9 Aug 2010