Azetidine  B3P86/6-31G(2d,2p) opt structure
 
 C
 C,1,B1
 C,2,B2,1,A1
 H,1,B3,2,A2,3,D1,0
 H,1,B4,2,A3,3,D2,0
 H,1,B5,2,A4,3,D3,0
 H,2,B6,1,A5,3,D4,0
 H,2,B7,1,A6,3,D5,0
 H,3,B8,2,A7,1,D6,0
 H,3,B9,2,A8,1,D7,0
 N,1,B10,2,A9,3,D8,0
      Variables:
 B1=1.54102513
 B2=1.54102513
 B3=2.11433908
 B4=1.0988015
 B5=1.09381431
 B6=1.08910886
 B7=1.09027453
 B8=1.0988015
 B9=1.09381431
 B10=1.47683076
 A1=85.68344786
 A2=107.44668638
 A3=111.73627705
 A4=118.00020228
 A5=117.70671694
 A6=112.28616309
 A7=111.73627705
 A8=118.00020228
 A9=88.76243082
 D1=-0.5954225
 D2=97.15471261
 D3=-135.99731249
 D4=-119.14460945
 D5=112.33851308
 D6=-97.15471261
 D7=135.99731249
 D8=-18.58246526



 


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Azetidine  B3P86/6-31G(3d,3p) opt structure
 
 C
 C,1,B1
 C,2,B2,1,A1
 H,1,B3,2,A2,3,D1,0
 H,1,B4,2,A3,3,D2,0
 H,1,B5,2,A4,3,D3,0
 H,2,B6,1,A5,3,D4,0
 H,2,B7,1,A6,3,D5,0
 H,3,B8,2,A7,1,D6,0
 H,3,B9,2,A8,1,D7,0
 N,1,B10,2,A9,3,D8,0
      Variables:
 B1=1.53939492
 B2=1.53939492
 B3=2.11925155
 B4=1.09889233
 B5=1.09384326
 B6=1.08975885
 B7=1.09069669
 B8=1.09889233
 B9=1.09384326
 B10=1.4790289
 A1=85.81155631
 A2=107.45222773
 A3=111.78413166
 A4=118.00042102
 A5=117.61678691
 A6=112.3227073
 A7=111.78413166
 A8=118.00042102
 A9=88.76749113
 D1=-0.74560418
 D2=96.91804363
 D3=-136.05380456
 D4=-119.09433931
 D5=112.43429349
 D6=-96.91804363
 D7=136.05380456
 D8=-18.6288958



 


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  Last modified: 4 Dec 2011