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

B10Br9_para_Kr

-1 1
 B                  0.00000000    0.00000000   -1.97061600
 B                  0.93657200    0.93657200   -0.93857600
 B                 -0.93657200   -0.93657200   -0.93857600
 B                 -0.93657200    0.93657200   -0.93857600
 B                  0.93657200   -0.93657200   -0.93857600
 B                  0.00000000    1.31085700    0.56540600
 B                 -1.31085700    0.00000000    0.56540600
 B                  1.31085700    0.00000000    0.56540600
 B                  0.00000000   -1.31085700    0.56540600
 B                  0.00000000    0.00000000    1.63263800
 Br                 2.21064900   -2.21064900   -1.69279900
 Br                 3.12660000    0.00000000    1.27596900
 Br                 0.00000000   -3.12660000    1.27596900
 Br                 0.00000000    0.00000000    3.55925800
 Br                 0.00000000    3.12660000    1.27596900
 Br                 2.21064900    2.21064900   -1.69279900
 Br                -2.21064900    2.21064900   -1.69279900
 Br                -3.12660000    0.00000000    1.27596900
 Br                -2.21064900   -2.21064900   -1.69279900
 Kr                 0.00000000    0.00000000   -4.74061600

