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

B6Cl5_Kr (1-) c4v

-1 1
 B                  0.00000000    1.22973900   -0.13622600
 B                  0.00000000    0.00000000   -1.24189500
 B                  0.00000000    0.00000000    1.03968300
 B                  0.00000000   -1.22973900   -0.13622600
 B                 -1.22973900    0.00000000   -0.13622600
 B                  1.22973900    0.00000000   -0.13622600
 Kr                 0.00000000    0.00000000   -3.41408100
 Cl                 0.00000000   -3.09888710   -0.19266526
 Cl                 3.09888710    0.00000000   -0.19266526
 Cl                 0.00000000    0.00000000    2.90968300
 Cl                 0.00000000    3.09888710   -0.19266526
 Cl                -3.09888710    0.00000000   -0.19266526

