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

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

-1,1
B      1.469074   -0.277379    0.403218
B      0.254708    0.819412    0.983234
B      1.359641   -0.572547   -1.467642
B      1.064228    1.034665   -0.584860
B     -0.001096   -0.870573    1.163743
B     -0.703312    1.271786   -0.632355
B     -0.027856    0.094564   -1.732086
B     -1.374007    0.068078    0.555618
B     -0.681743   -1.401195   -0.276465
B     -1.537349   -0.168268   -1.154186
Cl    -3.063479   -0.419752   -2.035875
Cl    -1.284738    2.932577   -0.930601
Cl    -2.842448    0.215608    1.560701
Cl    -1.046303   -3.089221   -0.662372
Cl     0.012837   -1.759419    2.709211
Cl     3.029408   -0.711898    1.132006
Cl     2.651591   -1.505131   -2.147558
Cl     2.159092    2.343614   -1.131570
Cl     0.436308    1.994051    2.312464

