t-1-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
 Cl,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
 H,7,B7,1,A6,2,D5,0
      Variables:
 B1=1.34047704       (1.3366)
 B2=1.07995639
 B3=1.71987212       (1.7167)
 B4=1.08271279
 B5=1.4195728         (1.4220)
 B6=1.21840662       (1.2069)
 B7=1.06219818
 A1=123.12519776
 A2=122.22392469
 A3=119.77292796
 A4=121.47569368
 A5=152.88929175
 A6=161.52186333
 D1=180.
 D2=0.
 D3=180.
 D4=180.
 D5=180.



 


 


  t1Clbuten3yne_zm.html

  Last modified: 29 Nov 2011