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CHARGE=-1 SHIFT=80 PM7 Lanthanum(III) tetraiodide <La-I> GR=PW91D La 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0 I 2.98783100 +1 0.0000000 +0 0.0000000 +0 1 0 0 I 2.73115347 +1 112.0387801 +1 0.0000000 +0 1 2 0 I 2.73099169 +1 111.9480591 +1 119.9264315 +1 1 2 3 I 2.73113054 +1 112.0269548 +1 119.9456056 +1 1 2 4