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PULAY PM7 Vanadium(V) iodide dioxide <V-I> <V=O> GR=PW91D V 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0 I 2.54816000 +1 0.0000000 +0 0.0000000 +0 1 0 0 O 1.60525000 +1 112.4171501 +1 0.0000000 +0 1 2 0 O 1.54773838 +1 112.6891503 +1 178.8471827 +1 1 2 3