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SHIFT=30 PULAY PM7 Tantalum(V) oxide trifluoride D=1.246 DR=PW91D H=-340.5 HR=PW91D O 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0 Ta 1.65629293 +1 0.0000000 +0 0.0000000 +0 1 0 0 F 1.81490934 +1 97.8096532 +1 0.0000000 +0 2 1 0 F 1.81486677 +1 97.8075586 +1 120.0249085 +1 2 1 3 F 1.81486805 +1 97.7959729 +1 119.9455783 +1 2 1 4