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

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

-2,1
B 
B     1    rBB1
B     1    rBB2     2    aBB1
B     1    rBB3     2    aBB2     3    -dBB1
B     1    rBB3     2    aBB2     3     dBB1
B     1    rBB4     2    aBB3     3     c1
B     2    rBB5     1    aBB4     3     dBB2
B     2    rBB5     1    aBB4     3    -dBB2
B     2    rBB6     1    aBB5     3     dBB3
B     2    rBB6     1    aBB5     3    -dBB3
I     1    rBX1     3    aBX1     6     c1
I     4    rBX3     1    aBX3     3     dBX1
I     5    rBX3     1    aBX3     3    -dBX1
I     6    rBX2     1    aBX2     3    -c1
I     2    rBX4     6    aBX4     3    -c1
I     7    rBX5     2    aBX5     1    -dBX2
I     8    rBX5     2    aBX5     1     dBX2
I     9    rBX6     2    aBX6     1    -dBX3
I    10    rBX6     2    aBX6     1     dBX3
I     3    rBX7     1    aBX7     2     c1
  Variables:
 rBB1=3.72262955
 rBB2=1.62600008
 rBB3=1.7327551
 rBB4=1.72500701
 rBB5=1.69385588
 rBB6=1.7050319
 aBB1=43.51721886
 aBB2=50.14186429
 aBB3=50.2087273
 aBB4=50.02948823
 aBB5=51.10644427
 dBB1=93.48929695
 dBB2=45.42976981
 dBB3=135.52375064
 rBX1=2.1534785
 aBX1=135.5203323
 rBX2=2.18160414
 aBX2=117.01325095
 rBX3=2.17323316
 aBX3=118.04313412
 dBX1=127.74569907
 rBX4=2.1605102
 aBX4=154.37139098
 rBX5=2.17479086
 rBX6=2.17963147
 aBX5=122.39267921
 aBX6=117.91469525
 dBX2=175.57577019
 dBX3=180.27620061
 rBX7=5.63133066
 aBX7=109.54595874
  Constants:
c1 = 180.0

