#P B3LYP/def2QZVPP Opt=(TS,CalcFC,VeryTight,Z-Matrix) EmpiricalDispersion=GD3BJ Freq Integral=SuperFineGrid SCF=(Conver=10)

TS; [B10I10](2-); 1-[B10I9](1-) + [I](1-)

-2,1
B 
B     1   rBB1
X     1   r1      2    c1
X     2   r1      1    c1     3    c2    
B     1   rBB2    2    aBB1   3    c2
B     1   rBB2    2    aBB1   3    c1
B     1   rBB2    2    aBB1   3   -c1
B     1   rBB2    2    aBB1   3    c3
B     2   rBB3    1    aBB2   4    c4
B     2   rBB3    1    aBB2   4   -c4
B     2   rBB3    1    aBB2   4   -c5
B     2   rBB3    1    aBB2   4    c5
I     2   rBX1    4    c1     1    c3
I     5   rBX2    1    aBX1   2    c3
I     6   rBX2    1    aBX1   2    c3
I     7   rBX2    1    aBX1   2    c3
I     8   rBX2    1    aBX1   2    c3
I     9   rBX3    2    aBX2   1    c3
I    10   rBX3    2    aBX2   1    c3
I    11   rBX3    2    aBX2   1    c3
I    12   rBX3    2    aBX2   1    c3
I     1   rBX4    3    c1     2    c3
  Variables:
rBB1 =   3.5001
rBB2 =   1.6252
rBB3 =   1.6847
aBB1 =  54.8506
aBB2 =  51.2304
rBX1 =   2.1545
rBX2 =   2.1648
aBX1 = 118.7516
rBX3 =   2.1695
aBX2 = 119.2852
rBX4 =   5.6327
  Constants:
r1 = 5.0
c1 = 90.0
c2 = 0.0
c3 = 180.0
c4 = 45.0
c5 = 225.0
