Accuracy

Fe(III)Br4(-)   4400 Fe(III)Br4(-) (EPYMBF)

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    #  Species Formula
  4390 Vanadium(IV) bromideVBr4
  4391 Vanadium(IV) bromide (Geo)VBr4
  4392 V(V)Br4O(-) (BEVXIJ) (Geo)OVBr4
  4393 V(V)Br4O(-) (BEVXIJ)OVBr4
  4394 V2Br4V2Br4
  4395 V2Br4 (Geo)V2Br4
  4396 Cr(II)Br4O2(2-) (CAGCIW) (Geo)C4H8O4CrBr4
  4397 Cr(II)Br4O2(2-) (CAGCIW)C4H8O4CrBr4
  4398 Mn(II)Br4 (=) (PYDMNB) (Geo)MnBr4
  4399 Fe(III)Br4(-) (EPYMBF) (Geo)FeBr4
  4400 Fe(III)Br4(-) (EPYMBF) FeBr4
  4401 Iron dibromide, dimerFe2Br4
  4402 Co(II)Br4(2-) (BPYRBC10) (Geo)CoBr4
  4403 Cobalt(II) tetrabromide (Geo)CoBr4
  4404 Nickel(II) tetrabromide D4h (Geo)NiBr4
  4405 Nickel(II) tetrabromide D4hNiBr4
  4406 Cu(II)Br4(2-) (AHUVUU) (Geo)CuBr4
  4407 Cu(II)Br4(2-) (AHUVUU)CuBr4
  4408 Copper(II) tetrabromide, dianion (Geo)CuBr4
  4409 Cu(I)2Br4(2-) (CEYWAE) (Geo)Cu2Br4
  4410 Cu(I)2Br4(2-) (CEYWAE)Cu2Br4


ΔHf: -125.8 kcal/mol,     REF: Estimated from DGauss results of DFT calculations, using the B88-PW91 functional and the DZVP basis set, in CAChe 6.0, Fujitsu Ltd, 2003.
  
 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