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CHARGE=-2 UHF PM7 Cu(I)2I4(2-) (BIYMIF) H=-89.8 HR=PW91D Cu 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0 Cu 3.22151364 +1 0.0000000 +0 0.0000000 +0 1 0 0 I 2.65986692 +1 52.5257106 +1 0.0000000 +0 2 1 0 I 2.63144781 +1 125.5566442 +1 -179.9974863 +1 2 3 1 I 2.66000564 +1 52.5233185 +1 -179.9964252 +1 1 2 3 I 2.63161204 +1 125.5786642 +1 179.9938107 +1 1 5 2