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

[B10I9-H2O](1-) 2-H2O_2

-1,1
B       0.38213800    0.00000000   -1.61793300
B      -0.94738600   -0.90770300   -0.85904900
B      -0.94738600    0.90770300   -0.85904900
B       0.76855400   -1.30780800   -0.42924500
B      -0.43348200   -0.92318400    0.88581700
B      -1.73229600    0.00000000    0.30831700
B       0.76855400    1.30780800   -0.42924500
B       1.79562600    0.00000000   -0.75045900
B      -0.43348200    0.92318400    0.88581700
B       1.14504200    0.00000000    0.80357400
I      -0.81983500    2.34036500    2.47549100
I       2.52700600    0.00000000    2.46917800
I      -2.01388400   -2.18899900   -2.28087300
I      -2.01388400    2.18899900   -2.28087300
I       1.53331600   -3.31925000   -0.70091500
I      -0.81983500   -2.34036500    2.47549100
I      -3.80857600    0.00000000    0.84653200
I       1.53331600    3.31925000   -0.70091500
I       3.80359200    0.00000000   -1.50555400
O       0.34421000    0.00000000   -3.14505100
H      -0.20378800    0.78790500   -3.40156300
H      -0.20378800   -0.78790400   -3.40156400

