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PULAY PM7 Niobium(V) oxide tribromide I=7.812 IR=PW91D D=1.170 DR=PW91D H=-137.3 HR=PW91D O 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0 Nb 1.74116715 +1 0.0000000 +0 0.0000000 +0 1 0 0 Br 2.48617184 +1 97.9433706 +1 0.0000000 +0 2 1 0 Br 2.48606673 +1 97.9315037 +1 120.0214377 +1 2 1 3 Br 2.48608254 +1 97.9295271 +1 119.9866156 +1 2 1 4