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UHF SEXTET CHARGE=-1 PM7 Fe(III)Br4(-) (EPYMBF) <> <><> <><><> <Fe-Br> GR=CCDC Br 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0 Br 3.63447880 +1 0.0000000 +0 0.0000000 +0 1 0 0 Br 3.63746062 +1 61.2534945 +1 0.0000000 +0 1 2 0 Br 4.52085783 +1 51.4242539 +1 61.7567257 +1 1 2 3 Fe 2.30988400 +1 41.4167340 +1 -13.9524071 +1 1 2 4