4-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
 H,2,B4,1,A3,4,D2,0
 C,2,B5,1,A4,4,D3,0
 C,6,B6,1,A5,2,D4,0
 Cl,7,B7,1,A6,2,D5,0
      Variables:
 B1=1.3416952         (1.3378)
 B2=1.08067215
 B3=1.08018686
 B4=1.0836459
 B5=1.4218713         (1.4242)
 B6=1.21937802       (1.2077)
 B7=1.63821898       (1.6351)
 A1=121.13785054
 A2=120.36461343
 A3=119.5884721
 A4=123.68319503
 A5=154.28040062
 A6=162.26072127
 D1=180.
 D2=0.
 D3=180.
 D4=180.
 D5=180.



 


 


  4Clbuten3yne_zm.html

  Last modified: 29 Nov 2011