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CHARGE=1 PULAY PM7 Iridium(V) tetrabromide, cation I=11.751 IR=PW91D H=238.8 HR=PW91D Br 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0 Ir 2.49599748 +1 0.0000000 +0 0.0000000 +0 1 0 0 Br 2.49285142 +1 109.8882998 +1 0.0000000 +0 2 1 0 Br 2.49316523 +1 109.5834680 +1 120.7428520 +1 2 1 3 Br 2.49442654 +1 109.0218325 +1 119.5579693 +1 2 1 4