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CHARGE=-2 PM7 Tl(III)Br5(2-) (BAQWUL) H=-121.9 HR=PW91D Tl 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0 Br 2.63802790 +1 0.0000000 +0 0.0000000 +0 1 0 0 Br 2.68028248 +1 90.0065831 +1 0.0000000 +0 1 2 0 Br 2.63808411 +1 120.0206572 +1 -89.9876542 +1 1 2 3 Br 2.68028523 +1 90.0046920 +1 -89.9835234 +1 1 2 4 Br 2.63801851 +1 119.9651893 +1 -89.9991111 +1 1 2 5