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UHF CHARGE=-1 PM7 Au(III)I4(-) (GEJQUH) <Au-I> GR=CCDC Au 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0 I 2.63189100 +1 0.0000000 +0 0.0000000 +0 1 0 0 I 2.80993403 +1 90.6148119 +1 0.0000000 +0 1 2 0 I 2.78562178 +1 89.3419331 +1 179.9972962 +1 1 3 2 I 2.81038528 +1 90.6287840 +1 179.9985216 +1 1 2 3