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

TS; 1-[B10Cl9-N2](1-); 2-[B10Cl9-N2](1-)

-1,1
B        -1.637810    0.353577    0.258912
B        -0.798286   -0.282866   -1.142944
B        -0.507574    1.093369    1.259906
B        -0.456299    1.368980   -0.534315
B        -1.005067   -1.293439    0.277293
B         0.978113    0.337174   -1.022991
B         0.970857    1.225883    0.469903
B         0.540493   -1.323891   -0.548237
B         0.394601   -1.144480    1.236865
B         1.657713   -0.365631    0.435429
Cl        3.417318   -0.632227    0.670380
Cl        1.938082    0.778627   -2.463852
Cl        1.142750   -2.810587   -1.326942
Cl        0.552699   -1.948283    2.793664
Cl       -2.144684   -2.663836    0.399977
Cl       -3.390582    0.680280    0.342032
Cl       -0.890394    1.920071    2.768724
Cl       -0.871750    2.924800   -1.310769
Cl       -1.567531   -0.545122   -2.736711
N         1.829733    2.367440    0.689918
N         2.478245    3.231608    0.914416

