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PM7 Hafnium(IV) oxide diiodide D=2.511 DR=PW91D H=-113.0 HR=PW91D I 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0 Hf 2.79298412 +1 0.0000000 +0 0.0000000 +0 1 0 0 I 2.79352039 +1 138.9052793 +1 0.0000000 +0 2 1 0 O 1.73488979 +1 110.4274808 +1 -179.3384449 +1 2 1 3