# opt=(tight,calcFC) freq=noraman b3lyp pop=npa def2qzvpp empiricaldispersion=gd3bj temperature=0

B6I5_H2O c2v

-1 1
 B                  0.00000000    0.00000000   -1.58390902
 B                 -0.86167323    0.86149403   -0.42579374
 B                  0.86167323   -0.86149403   -0.42579374
 B                  0.00000000   -0.00000000    0.76757092
 B                  0.86167323    0.86149403   -0.42579374
 B                 -0.86167323   -0.86149403   -0.42579374
 I                 -2.37960531   -2.38063759   -0.51732257
 I                  2.37960531   -2.38063759   -0.51732257
 I                 -2.37960531    2.38063759   -0.51732257
 I                  2.37960531    2.38063759   -0.51732257
 I                  0.00000000   -0.00000000    2.91136887
 O                  0.00000000    0.00000000   -3.12390898
 H                 -0.90515096    0.00000000   -3.44425128
 H                  0.90515096    0.00000000   -3.44425128

