ax Tropane  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
 C,8,B18,5,A17,4,D16,0
 H,19,B19,8,A18,5,D17,0
 H,19,B20,8,A19,5,D18,0
 H,19,B21,8,A20,5,D19,0
 H,3,B22,2,A21,1,D20,0
 H,3,B23,2,A22,1,D21,0
      Variables:
 B1=1.53533564
 B2=1.53340347
 B3=1.53340347
 B4=1.53533564
 B5=1.53818425
 B6=1.54910194
 B7=1.46545887
 B8=1.09519388
 B9=1.09519388
 B10=1.09539874
 B11=1.09539874
 B12=1.09607351
 B13=1.09607351
 B14=1.09124008
 B15=1.09124008
 B16=1.09297173
 B17=1.09297173
 B18=1.44132906
 B19=1.10273878
 B20=1.094285
 B21=1.094285
 B22=1.09591805
 B23=1.09455452
 A1=110.98355281
 A2=111.87271866
 A3=110.98355281
 A4=111.88400401
 A5=104.02052784
 A6=111.99797102
 A7=109.54331465
 A8=110.14054242
 A9=109.97952421
 A10=110.28649174
 A11=109.15544431
 A12=110.19327512
 A13=110.77301538
 A14=109.94211702
 A15=112.66529134
 A16=112.01049486
 A17=117.60278285
 A18=115.78942896
 A19=109.16370446
 A20=109.16370446
 A21=109.04651688
 A22=110.42949097
 D1=-43.89977886
 D2=43.89977886
 D3=53.79345473
 D4=-89.35532984
 D5=-58.39076786
 D6=169.16065447
 D7=179.43835948
 D8=-179.29508195
 D9=166.03539865
 D10=-63.25068979
 D11=-77.1322401
 D12=-118.08013847
 D13=151.99350468
 D14=121.5263518
 D15=32.60592205
 D16=-62.80374545
 D17=62.05226869
 D18=-176.56246571
 D19=-59.3329969
 D20=76.80463169
 D21=-167.32906235
 
 
  tropane_ax_zm.html
  Last modified: 8 Aug 2010