2-Chlorobuten-3-yne  MP2/aug-cc-pVTZ opt structure.
Approximate equilibrium bond lengths are given in parentheses.
 
  C
 C,1,B1
 H,1,B2,2,A1
 H,1,B3,2,A2,3,D1,0
 Cl,2,B4,1,A3,4,D2,0
 C,2,B5,1,A4,4,D3,0
 C,6,B6,1,A5,2,D4,0
 H,7,B7,1,A6,2,D5,0
      Variables:
 B1=1.33838129       (1.3345)
 B2=1.0800087
 B3=1.07909717
 B4=1.74126461       (1.7380)
 B5=1.41945308       (1.4219)
 B6=1.21755189       (1.2062)
 B7=1.06238462
 A1=119.13915051
 A2=120.92182205
 A3=120.51313997
 A4=124.66547651
 A5=154.28452189
 A6=162.27297973
 D1=180.
 D2=0.
 D3=180.
 D4=180.
 D5=180.



 


 


  2Clbuten3yne_zm.html

  Last modified: 29 Nov 2011