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

2a-[B10Cl9-H2O](1-)

-1,1
B        0.525613    1.813727    0.000000
B        1.440412    0.438603    0.000000
B       -1.002703    1.089502    0.000000
B        0.242084    0.771634    1.309945
B        0.242084    0.771634   -1.309945
B        0.755925   -0.931822    0.908571
B       -1.014833   -0.504167    0.924041
B        0.755925   -0.931822   -0.908571
B       -1.014833   -0.504167   -0.924041
B       -0.368590   -1.773549   -0.000000
Cl      -2.467864    2.116468    0.000000
Cl       0.446978    1.360710    2.992284
Cl      -2.316426   -0.830967    2.107501
Cl      -2.316426   -0.830967   -2.107501
Cl      -0.767157   -3.509187   -0.000000
Cl       2.012526   -1.709445   -1.981182
Cl       2.012526   -1.709445    1.981182
Cl       1.009140    3.528298    0.000000
Cl       0.446978    1.360710   -2.992284
O        2.973946    0.373304    0.000000
H        3.189170   -0.189636    0.784739
H        3.189170   -0.189636   -0.784739

