Accuracy

Cu(II)Br4(2-) (AHUVUU)   4407 Cu(II)Br4(2-) (AHUVUU)

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    #  Species Formula
  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
  4411 Cu(II)2N2Br4 (BPYRCU) (Geo)C10H10N2Cu2Br4
  4412 Cu(II)2N2Br4 (BPYRCU)C10H10N2Cu2Br4
  4413 Cu(II)2N4Br4 (BGLXCU) (Geo)C8H16N4O4Cu2Br4
  4414 Zn(II)Br4(2-) (BEYNUO) (Geo)ZnBr4
  4415 Zn(II)Br4(2-) (BEYNUO)ZnBr4
  4416 Ga(III)Br4(-) (AGOGAE) (Geo)GaBr4
  4417 Ga(III)Br4(-) (AGOGAE)GaBr4


ΔHf: -101.8 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 CHARGE=-2 PM7
Cu(II)Br4(2-) (AHUVUU)
 H=-101.8 HR=PW91D
 Br     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Cu     2.50919769 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Br     2.50330826 +1  109.4897030 +1    0.0000000 +0     2     1     0
 Br     2.50949751 +1  108.7695108 +1 -119.8094006 +1     2     1     3
 Br     2.50385314 +1  109.0317312 +1 -120.0133688 +1     2     1     4