Diethylamine   MP2/6-311+G(d,p) opt structure
 
 N
 C,1,B1
 C,1,B2,2,A1
 H,1,B3,2,A2,3,D1,0
 H,2,B4,1,A3,3,D2,0
 H,3,B5,1,A4,2,D3,0
 H,2,B6,1,A5,3,D4,0
 H,3,B7,1,A6,2,D5,0
 C,3,B8,1,A7,2,D6,0
 H,9,B9,3,A8,1,D7,0
 H,9,B10,3,A9,1,D8,0
 H,9,B11,3,A10,1,D9,0
 C,2,B12,1,A11,3,D10,0
 H,13,B13,2,A12,1,D11,0
 H,13,B14,2,A13,1,D12,0
 H,13,B15,2,A14,1,D13,0
      Variables:
 B1=1.46060068
 B2=1.46060068
 B3=1.01828296
 B4=1.09619319
 B5=1.09619319
 B6=1.10512823
 B7=1.10512823
 B8=1.52316192
 B9=1.09387225
 B10=1.09522819
 B11=1.09271369
 B12=1.52316192
 B13=1.09522819
 B14=1.09387225
 B15=1.09271369
 A1=112.86904581
 A2=108.56330161
 A3=107.48012383
 A4=107.48012383
 A5=112.01060066
 A6=112.01060066
 A7=110.6719407
 A8=110.82456465
 A9=110.65900709
 A10=110.19398626
 A11=110.6719407
 A12=110.65900709
 A13=110.82456465
 A14=110.19398626
 D1=120.40556427
 D2=63.1564762
 D3=-63.1564762
 D4=-53.97288053
 D5=53.97288053
 D6=176.8320143
 D7=178.18100892
 D8=-62.20011681
 D9=57.57135416
 D10=-176.8320143
 D11=62.20011681
 D12=-178.18100892
 D13=-57.57135416
 
 -------------------------------------------------------------
 
Diethylamine   MP2/6-311+G(df,pd) opt structure
 
 N
 C,1,B1
 C,1,B2,2,A1
 H,1,B3,2,A2,3,D1,0
 H,2,B4,1,A3,3,D2,0
 H,3,B5,1,A4,2,D3,0
 H,2,B6,1,A5,3,D4,0
 H,3,B7,1,A6,2,D5,0
 C,3,B8,1,A7,2,D6,0
 H,9,B9,3,A8,1,D7,0
 H,9,B10,3,A9,1,D8,0
 H,9,B11,3,A10,1,D9,0
 C,2,B12,1,A11,3,D10,0
 H,13,B13,2,A12,1,D11,0
 H,13,B14,2,A13,1,D12,0
 H,13,B15,2,A14,1,D13,0
      Variables:
 B1=1.45486089
 B2=1.45486089
 B3=1.0166356
 B4=1.09451347
 B5=1.09451347
 B6=1.10358093
 B7=1.10358093
 B8=1.51832552
 B9=1.0913434
 B10=1.09281478
 B11=1.09042853
 B12=1.51832552
 B13=1.09281478
 B14=1.0913434
 B15=1.09042853
 A1=112.98726082
 A2=108.80756404
 A3=107.46240787
 A4=107.46240787
 A5=112.01858727
 A6=112.01858727
 A7=110.77727198
 A8=110.8140648
 A9=110.6141183
 A10=110.16000154
 A11=110.77727198
 A12=110.6141183
 A13=110.8140648
 A14=110.16000154
 D1=120.95926747
 D2=63.07577712
 D3=-63.07577712
 D4=-53.98926193
 D5=53.98926193
 D6=176.87343737
 D7=178.15175921
 D8=-62.23483022
 D9=57.53866393
 D10=-176.87343737
 D11=62.23483022
 D12=-178.15175921
 D13=-57.53866393
 
 ------------------------------------------------------------
 
Diethylamine   MP2/6-311+G(3df,3pd) opt structure
 
 N
 C,1,B1
 C,1,B2,2,A1
 H,1,B3,2,A2,3,D1,0
 H,2,B4,1,A3,3,D2,0
 H,3,B5,1,A4,2,D3,0
 H,2,B6,1,A5,3,D4,0
 H,3,B7,1,A6,2,D5,0
 C,3,B8,1,A7,2,D6,0
 H,9,B9,3,A8,1,D7,0
 H,9,B10,3,A9,1,D8,0
 H,9,B11,3,A10,1,D9,0
 C,2,B12,1,A11,3,D10,0
 H,13,B13,2,A12,1,D11,0
 H,13,B14,2,A13,1,D12,0
 H,13,B15,2,A14,1,D13,0
      Variables:
 B1=1.45584528
 B2=1.45584528
 B3=1.01502488
 B4=1.09175893
 B5=1.09175893
 B6=1.10034398
 B7=1.10034398
 B8=1.51721356
 B9=1.0886461
 B10=1.0903783
 B11=1.08788609
 B12=1.51721356
 B13=1.0903783
 B14=1.0886461
 B15=1.08788609
 A1=112.7168569
 A2=108.75499768
 A3=107.54799687
 A4=107.54799687
 A5=111.99508091
 A6=111.99508091
 A7=110.6104341
 A8=110.92293708
 A9=110.64651559
 A10=110.32804697
 A11=110.6104341
 A12=110.64651559
 A13=110.92293708
 A14=110.32804697
 D1=120.68131965
 D2=63.6205062
 D3=-63.6205062
 D4=-53.40619968
 D5=53.40619968
 D6=176.33035499
 D7=178.95250862
 D8=-61.44303869
 D9=58.26177669
 D10=-176.33035499
 D11=61.44303869
 D12=-178.95250862
 D13=-58.26177669
  Diethylamine_zm.html
  Last modified: 14 July 2011