N-Methylpyrrolidine  B3P86/6-31G(d,p) opt 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
 H,4,B12,3,A11,2,D10,0
 C,5,B13,1,A12,2,D11,0
 H,14,B14,5,A13,1,D12,0
 H,14,B15,5,A14,1,D13,0
 H,14,B16,5,A15,1,D14,0
      Variables:
 B1=1.53271814
 B2=1.54903008
 B3=1.53271814
 B4=1.45422263
 B5=1.09528564
 B6=1.10974936
 B7=1.09288889
 B8=1.09296192
 B9=1.09288889
 B10=1.09296192
 B11=1.10974936
 B12=1.09528564
 B13=1.44185342
 B14=1.09448587
 B15=1.09448587
 B16=1.10844775
 A1=104.14402696
 A2=104.14402696
 A3=103.68755484
 A4=110.78125692
 A5=111.3058863
 A6=110.56122211
 A7=111.56483935
 A8=110.54375189
 A9=112.67626599
 A10=110.17712441
 A11=113.56194746
 A12=114.04438527
 A13=110.02456215
 A14=110.02456215
 A15=112.97034514
 D1=0.
 D2=-25.83658537
 D3=165.76191763
 D4=-74.83749735
 D5=92.91685353
 D6=-147.64600906
 D7=118.7653735
 D8=-121.07045469
 D9=-93.3669966
 D10=146.14105033
 D11=168.70039975
 D12=60.7797339
 D13=179.40395781
 D14=-59.90815415
 
 ----------------------------------------------------------------------
 
N-Methylpyrrolidine B3P86/6-31G(3d,3p) opt 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
 H,4,B12,3,A11,2,D10,0
 C,5,B13,1,A12,2,D11,0
 H,14,B14,5,A13,1,D12,0
 H,14,B15,5,A14,1,D13,0
 H,14,B16,5,A15,1,D14,0
      Variables:
 B1=1.53094561
 B2=1.54797335
 B3=1.53094561
 B4=1.4542858
 B5=1.09378741
 B6=1.10829528
 B7=1.09161129
 B8=1.09173946
 B9=1.09161129
 B10=1.09173946
 B11=1.10829528
 B12=1.09378741
 B13=1.44135469
 B14=1.09343688
 B15=1.09343688
 B16=1.10721315
 A1=104.24182465
 A2=104.24182465
 A3=103.76135358
 A4=110.69844489
 A5=111.17694204
 A6=110.57110931
 A7=111.60303948
 A8=110.64018296
 A9=112.55849219
 A10=110.29013797
 A11=113.56717415
 A12=114.04120466
 A13=110.07054329
 A14=110.07054329
 A15=112.76700798
 D1=0.
 D2=-25.50241628
 D3=165.209365
 D4=-75.50964459
 D5=93.42496213
 D6=-147.25153949
 D7=118.88033978
 D8=-121.11492896
 D9=-93.64624029
 D10=145.75677171
 D11=168.27747377
 D12=60.61091567
 D13=179.31526683
 D14=-60.03690875
 
  NMePRL_zm.html
  Last modified: 29 June 2010