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SYMMETRY PM7 Lithium iodide dimer <Li-I> <Li-I-Li> GR=PW91D I 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0 Li 2.68293400 +1 0.0000000 +0 0.0000000 +0 1 0 0 I 2.68293400 +0 113.9391240 +1 0.0000000 +0 2 1 0 Li 2.68293400 +0 66.0608760 +0 -0.1206277 +1 3 2 1