#P CCSD(T,Conver=8)/def2TZVPP SCF=(Conver=10)

[B6Cl5-N2](1-)

-1,1
B   
B   1   rBB1
B   1   rBB2   2   aBB
B   1   rBB2   2   aBB   3   c1
B   1   rBB2   2   aBB   4   c1
B   1   rBB2   2   aBB   5   c1
X   1   c3     2   c1    3   c2
X   2   c3     1   c1    3   c2
Cl  2   rLB1   8   c1    1  -c2
Cl  3   rLB2   1   aLB1  2   c2
Cl  4   rLB2   1   aLB1  2   c2
Cl  5   rLB2   1   aLB1  2   c2
Cl  6   rLB2   1   aLB1  2   c2
N   1   rBN    7   c1    2  -c2
X  14   c3     1   c1    3   c2
N  14   rNN   15   c1    1  -c2  
  Variables:
rBB1 =     2.40319642
rBB2 =     1.71657846
aBB =    45.93256447
rLB1 =     1.78299351
rLB2 =     1.79094643
aLB1 =   134.38999952
rBN =     1.42753547
rNN =     1.12170012
  Constants:
c1 = 90.00000
c2 = 180.0
c3 = 5.0


