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PM7 Titanium(IV) oxide diiodide <Ti-I> <><> <Ti=O> GR=PW91D Ti 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0 I 2.60154200 +1 0.0000000 +0 0.0000000 +0 1 0 0 I 2.71446293 +1 136.6050095 +1 0.0000000 +0 1 2 0 O 1.61966200 +1 111.7681597 +1 179.8681414 +1 1 2 3