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

TS; 1-[B10Cl9-CO](1-); 2-[B10Cl9-CO](1-)

-1,1
B        -1.623811    0.400292    0.256787
B        -0.815715   -0.312773   -1.125402
B        -0.460343    1.152767    1.213820
B        -0.433978    1.359600   -0.591004
B        -1.024446   -1.250661    0.347064
B         0.969231    0.267804   -1.060652
B         1.014424    1.234461    0.388273
B         0.497562   -1.358481   -0.504517
B         0.403384   -1.095954    1.272997
B         1.664240   -0.383862    0.413213
Cl        3.421925   -0.706280    0.606229
Cl        1.903960    0.605471   -2.547102
Cl        1.054369   -2.892193   -1.222839
Cl        0.555960   -1.834902    2.862401
Cl       -2.193512   -2.585538    0.559439
Cl       -3.365588    0.771663    0.353156
Cl       -0.831495    2.015256    2.707146
Cl       -0.859682    2.875304   -1.442087
Cl       -1.620920   -0.625938   -2.692894
C         1.900536    2.378642    0.625035
O         2.567344    3.259232    0.884783

