! CF3CCl3 = 113a, r(Cl-Cl) evaluation by 37Cl substitution of 3x35Cl species
!
!  coordinates of 35Cl2 and 35Cl3 given by   -sin(30) * 35Cl1
!                                      and  +-cos(30) * 35Cl1
!
    3
  Cl1      0.96253   0.00156     1.66980   0.00090     0.00000   0.00000
  Cl2      0.96253   0.00156    -0.83490   0.00045     1.44609   0.00078 
  Cl3      0.96253   0.00156    -0.83490   0.00045    -1.44609   0.00078
!
   1  1  2
   1  1  3
   1  2  3
end



 ____________________________________________________________________________
|                                                                            |
|      E V A L   -  Internals and their errors from Cartesians               |
|____________________________________________________________________________|
 version 19.VI.2017                                           Zbigniew KISIEL


Available evaluations:

    D= 1,i,j             P = -1,i,j,k,l        A(L,L)= -4,i,j,k,l
    A= 2,i,j,k       A(P,P)= -2,i,j,k,l,m,n    D(P,p)= -5,i,j,k,l
    T= 3,i,j,k,l     A(P,L)= -3,i,j,k,l,m      D(L,p)= -6,i,j,k


File name containing data:  cl1_3x35.eva

! CF3CCl3 = 113a, r(Cl-Cl) evaluation by 37Cl substitution of 3x35Cl species
!
!  coordinates of 35Cl2 and 35Cl3 given by   -sin(30) * 35Cl1
!                                      and  +-cos(30) * 35Cl1
!
  Cl1      0.96253  0.00156     1.66980  0.00090     0.00000  0.00000
  Cl2      0.96253  0.00156    -0.83490  0.00045     1.44609  0.00078
  Cl3      0.96253  0.00156    -0.83490  0.00045    -1.44609  0.00078

!
              Cl1   Cl2   =    2.89218 +- 0.00095
              Cl1   Cl3   =    2.89218 +- 0.00095
              Cl2   Cl3   =    2.89218 +- 0.00110

Output written to:  cl1_3x35.eva.out