CF3CCl3 = 113a, r(Cl-Cl) evaluation by 37Cl substitution of 3x35Cl species 
c
c
  0  0
c
c parent = 3x35Cl
c
 1326.24         0.15    
 1111.467706     0.000016    
 1111.467706     0.000016            
185.90176764
c
c 37Cl1  = off axis 37Cl substitution in 3x35Cl
c
 1307.8865        0.0035     
 1106.662369      0.000035 
 1093.811666      0.000033
    1.9970499                        
end
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