Accuracy

iron dibromide, dimer   4401 Iron dibromide, dimer

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    #  Species Formula
  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, dimer Fe2Br4
  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
  4411 Cu(II)2N2Br4 (BPYRCU) (Geo)C10H10N2Cu2Br4


ΔHf: -60.5 kcal/mol,     REF: NIST Chemistry WebBook, NIST Standard Reference Database, No. 69; W. G. Mallard, P. J. Linstrom, Eds., National Institute of Standards and Technology, Gaithersberg, http://webbook.nist.gov/chemistry.
  
 NONET ALLVECS UHF OPT SHIFT=20 PM7
Iron dibromide, dimer
 H=-60.500000 HR=NIST
 XX    -0.00000347 +1   -0.0000007 +1    0.0000005 +1     0     0     0
 Fe     1.84171905 +1    0.0000000 +1    0.0000000 +1     1     0     0
 Br     1.74287595 +1   85.4503461 +1    0.0000000 +1     1     2     0
 Fe     1.86979964 +1  178.4984523 +1  179.9914122 +1     1     2     3
 Br     1.77191065 +1  178.4826008 +1  179.9759895 +1     1     3     2
 Br     2.32971381 +1  133.1902080 +1  179.9868937 +1     2     1     3
 Br     2.28118584 +1  135.7252365 +1   -0.0515388 +1     4     1     3