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

[B10Br9-H2O](1-) 2-H2Ob

-1,1
B        -1.743709   -0.000000    0.341188
B        -0.451008   -0.922919    0.932893
B        -0.949230    0.907242   -0.816566
B        -0.949230   -0.907242   -0.816566
B        -0.451009    0.922919    0.932893
B         0.767590   -1.307821   -0.373417
B         0.389101    0.000000   -1.561710
B         1.134574    0.000000    0.859248
B         0.767590    1.307821   -0.373417
B         1.795950    0.000000   -0.692638
O         0.306343    0.000000   -3.089872
H        -0.256991    0.786409   -3.310279
H        -0.256991   -0.786409   -3.310279
Br       -3.618414   -0.000000    0.832452
Br       -1.874934   -2.068499   -2.135262
Br        1.425992   -3.133549   -0.622061
Br       -0.776559   -2.209803    2.363621
Br        2.339368    0.000000    2.394664
Br        3.630338    0.000000   -1.320283
Br       -0.776559    2.209803    2.363621
Br        1.425992    3.133549   -0.622061
Br       -1.874934    2.068498   -2.135262

