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PM7 Technetium(III) triiodide I=5.651 IR=PW91D D=1.789 DR=PW91D H=72.2 HR=PW91D Tc 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0 I 2.64836835 +1 0.0000000 +0 0.0000000 +0 1 0 0 I 2.65438886 +1 126.4829759 +1 0.0000000 +0 1 2 0 I 2.65438938 +1 126.3811121 +1 -179.9762693 +1 1 2 3