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PM7 Hafnium(IV) oxide difluoride D=2.426 DR=PW91D H=-256.3 HR=PW91D F 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0 Hf 1.85944315 +1 0.0000000 +0 0.0000000 +0 1 0 0 F 1.85968395 +1 100.9834097 +1 0.0000000 +0 2 1 0 O 1.73980156 +1 99.6987173 +1 -101.6309539 +1 2 1 3