trans-a  Nicotine  B3P86/6-31G(d,p) optimized structure
 
 C
 C,1,B1
 C,2,B2,1,A1
 C,3,B3,2,A2,1,D1,0
 N,1,B4,2,A3,3,D2,0
 H,1,B5,5,A4,4,D3,0
 H,1,B6,5,A5,4,D4,0
 H,2,B7,1,A6,5,D5,0
 H,2,B8,1,A7,5,D6,0
 H,3,B9,2,A8,1,D7,0
 H,3,B10,2,A9,1,D8,0
 H,4,B11,3,A10,2,D9,0
 C,5,B12,1,A11,2,D10,0
 H,13,B13,5,A12,1,D11,0
 H,13,B14,5,A13,1,D12,0
 H,13,B15,5,A14,1,D13,0
 C,4,B16,3,A15,2,D14,0
 C,17,B17,4,A16,3,D15,0
 C,17,B18,4,A17,3,D16,0
 N,18,B19,17,A18,4,D17,0
 H,18,B20,17,A19,4,D18,0
 C,19,B21,17,A20,4,D19,0
 H,19,B22,17,A21,4,D20,0
 C,20,B23,18,A22,17,D21,0
 H,22,B24,19,A23,17,D22,0
 H,24,B25,20,A24,18,D23,0
      Variables:
 B1=1.53169035
 B2=1.54436594
 B3=1.54435468
 B4=1.45488112
 B5=1.09502929
 B6=1.10842754
 B7=1.09273646
 B8=1.09269703
 B9=1.09303633
 B10=1.09267757
 B11=1.11008699
 B12=1.44586839
 B13=1.09398211
 B14=1.09317262
 B15=1.1068286
 B16=1.50576673
 B17=1.39538956
 B18=1.39608395
 B19=1.33467207
 B20=1.09025819
 B21=1.38858943
 B22=1.08629155
 B23=1.33406903
 B24=1.08545744
 B25=1.08842542
 A1=104.13373121
 A2=104.80295877
 A3=104.10112104
 A4=110.56189009
 A5=111.11048959
 A6=110.70666348
 A7=111.46799652
 A8=110.92914643
 A9=113.24026947
 A10=108.6140732
 A11=113.43922337
 A12=109.72958007
 A13=110.07785323
 A14=112.70766152
 A15=113.69787695
 A16=121.30720231
 A17=121.41333686
 A18=124.53845471
 A19=119.50441218
 A20=119.08245945
 A21=119.12053975
 A22=117.08652592
 A23=121.14260509
 A24=116.15287725
 D1=-0.47304474
 D2=-24.92302025
 D3=165.13381887
 D4=-75.80256171
 D5=93.85946924
 D6=-146.67802147
 D7=117.74100705
 D8=-121.55105957
 D9=-91.67137759
 D10=168.14548254
 D11=61.06529428
 D12=179.83748059
 D13=-59.36567394
 D14=147.86372408
 D15=101.89732803
 D16=-76.3821399
 D17=-177.57868903
 D18=2.56860381
 D19=177.96264817
 D20=-2.97999066
 D21=-0.48476059
 D22=179.69723236
 D23=-179.87493387
 
   -----------------------------------------------------------------
 
trans-a  Nicotine  B3P86/6-31G(3d,3p) optimized structure
 
 C
 C,1,B1
 C,2,B2,1,A1
 C,3,B3,2,A2,1,D1,0
 N,1,B4,2,A3,3,D2,0
 H,1,B5,5,A4,4,D3,0
 H,1,B6,5,A5,4,D4,0
 H,2,B7,1,A6,5,D5,0
 H,2,B8,1,A7,5,D6,0
 H,3,B9,2,A8,1,D7,0
 H,3,B10,2,A9,1,D8,0
 H,4,B11,3,A10,2,D9,0
 C,5,B12,1,A11,2,D10,0
 H,13,B13,5,A12,1,D11,0
 H,13,B14,5,A13,1,D12,0
 H,13,B15,5,A14,1,D13,0
 C,4,B16,3,A15,2,D14,0
 C,17,B17,4,A16,3,D15,0
 C,17,B18,4,A17,3,D16,0
 N,18,B19,17,A18,4,D17,0
 H,18,B20,17,A19,4,D18,0
 C,19,B21,17,A20,4,D19,0
 H,19,B22,17,A21,4,D20,0
 C,20,B23,18,A22,17,D21,0
 H,22,B24,19,A23,17,D22,0
 H,24,B25,20,A24,18,D23,0
      Variables:
 B1=1.52807088
 B2=1.54311352
 B3=1.54426746
 B4=1.45385708
 B5=1.09366382
 B6=1.10735335
 B7=1.09157674
 B8=1.09141672
 B9=1.09169362
 B10=1.09153795
 B11=1.10822834
 B12=1.44481475
 B13=1.09290069
 B14=1.09256546
 B15=1.10584882
 B16=1.50424466
 B17=1.39330798
 B18=1.39368059
 B19=1.33277341
 B20=1.08969759
 B21=1.38648112
 B22=1.08567676
 B23=1.33210349
 B24=1.08467274
 B25=1.08778368
 A1=104.08307564
 A2=104.98384391
 A3=103.83987864
 A4=110.54092472
 A5=111.15375492
 A6=110.37847174
 A7=111.78349092
 A8=111.15689961
 A9=112.8691109
 A10=108.61314047
 A11=113.65006474
 A12=109.83924157
 A13=110.07047316
 A14=112.52886301
 A15=113.85550255
 A16=121.11705274
 A17=121.59230544
 A18=124.5549537
 A19=119.503076
 A20=119.03613176
 A21=119.39986134
 A22=117.06327571
 A23=121.14487882
 A24=116.12182953
 D1=3.21036224
 D2=-27.56130518
 D3=165.46492595
 D4=-75.39081934
 D5=91.00858805
 D6=-149.51361027
 D7=122.14700573
 D8=-117.49768407
 D9=-95.04606114
 D10=168.70611011
 D11=61.07298946
 D12=179.92411369
 D13=-59.39926139
 D14=144.72263734
 D15=102.64657533
 D16=-75.78381483
 D17=-177.69219828
 D18=2.38795752
 D19=178.0761828
 D20=-2.85201838
 D21=-0.50037731
 D22=179.72174049
 D23=-179.86389955
 
  Nicotine_anti_zm.html
  Last modified: 13 July 2010