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

TS; 1-[B10I9-N2](1-); 2-[B10I9-N2](1-); B

-1,1
B         1.563024   -0.430187    0.126354
B         0.490473    0.686469    0.957753
B         0.988154   -0.621335   -1.434301
B         1.050055    1.022205   -0.700054
B         0.177322   -1.046409    1.024531
B        -0.700483    1.341779   -0.328949
B        -0.224338    0.488865   -1.764251
B        -1.175738    0.049964    0.792994
B        -0.926409   -1.409372   -0.203546
B        -1.621777   -0.042750   -0.901384
I        -3.576689    0.079143   -1.824025
I        -1.476028    3.361083   -0.326952
I        -2.759300    0.180339    2.256261
I        -1.549367   -3.388022   -0.657211
I         0.483908   -2.301836    2.758120
I         3.599937   -0.875837    0.687219
I         1.870210   -1.820628   -2.955621
I         2.450904    2.522112   -1.391047
I         1.104768    1.907739    2.635966
N        -0.373490    1.067321   -3.095645
N        -0.478456    1.447956   -4.122841

