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

B10I9_para_H2O (1-) Cs

-1 1
 B                  2.05461228   -0.01367851    0.00000000
 B                  1.02689738    0.02019921   -1.32188259
 B                  1.02689738    0.02019921    1.32188259
 B                  1.01716575   -1.32836176    0.00000000
 B                  1.03585424    1.31554529    0.00000000
 B                 -0.47718748   -0.90330330   -0.94491136
 B                 -0.47718748   -0.90330330    0.94491136
 B                 -0.46409483    0.94894591   -0.90762755
 B                 -0.46409483    0.94894591    0.90762755
 B                 -1.54322773    0.01176378    0.00000000
 I                  1.93402609    0.05337700   -3.28869536
 I                 -1.26096585    2.40023974   -2.29632383
 I                 -1.29409155   -2.28613587   -2.39065558
 I                 -3.67879631    0.02686555    0.00000000
 I                 -1.26096585    2.40023974    2.29632383
 I                 -1.29409155   -2.28613587    2.39065558
 I                  1.93402609    0.05337700    3.28869536
 I                  1.90981501   -3.30167278    0.00000000
 I                  1.95630962    3.27603485    0.00000000
 O                  4.14143581   -0.05036214    0.00000000
 H                  4.84955516    0.59116731    0.00000000
 H                  4.49873464   -0.93702641    0.00000000

