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CHARGE=-1 PULAY PM7 Bi(III)Cl2I2(-) (JAJFEG) <Bi-I> <><I-Bi-I> <Bi-Cl> GR=CCDC Bi 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0 I 2.81595700 +1 0.0000000 +0 0.0000000 +0 1 0 0 I 2.85902038 +1 95.6214100 +1 0.0000000 +0 1 2 0 Cl 2.66631900 +1 92.9501790 +1 -93.2492714 +1 1 2 3 Cl 2.41424790 +1 95.4080574 +1 -171.5514786 +1 1 2 4