NCCH2COH, MP2/aug-cc-pVTZ opt structure
approx. re bond lengths given in parentheses
 
  O
 C,1,B1
 C,2,B2,1,A1
 C,3,B3,2,A2,1,D1,0
 N,4,B4,3,A3,2,D2,0
 H,2,B5,1,A4,3,D3,0
 H,3,B6,2,A5,1,D4,0
 H,3,B7,2,A6,1,D5,0
      Variables:
 B1=1.20953149       (1.2025)
 B2=1.52289684       (1.5208)
 B3=1.45671886       (1.4575)
 B4=1.1705272         (1.1559)
 B5=1.10227673
 B6=1.08834901
 B7=1.09325677
 A1=122.34404196
 A2=111.46732104
 A3=177.61397214
 A4=121.95717324
 A5=109.19197954
 A6=107.65281114
 D1=-144.75560933
 D2=-2.80815545
 D3=178.73036047
 D4=-21.46808552
 D5=95.9035923



 


 


  NCCH2COH_zm.html

  Last modified: 9 April 2012