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UHF SEXTET CHARGE=-1 PM7 Fe(III)Br4(-) (EPYMBF) H=-125.8 HR=PW91D Br 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0 Br 3.64913543 +1 0.0000000 +0 0.0000000 +0 1 0 0 Br 3.65120398 +1 61.0536811 +1 0.0000000 +0 1 2 0 Br 4.56284061 +1 51.2301868 +1 62.0928349 +1 1 2 3 Fe 2.35661125 +1 41.1823010 +1 -14.4776968 +1 1 2 4