Accuracy

Cu(I)2Br4(2-) (CEYWAE)   4410 Cu(I)2Br4(2-) (CEYWAE)

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    #  Species Formula
  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
  4418 Ga(III)2N2Br4 (BAWVEA) (Geo)C10H10N2Ga2Br4
  4419 Ga(III)2N2Br4 (BAWVEA)C10H10N2Ga2Br4
  4420 Germanium tetrabromide (Geo)GeBr4


ΔHf: -127.7 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.
  
 CHARGE=-2 UHF PM7
Cu(I)2Br4(2-) (CEYWAE)
 H=-127.7 HR=PW91D
 Cu     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Cu     3.05168670 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Br     2.50904197 +1   52.4328425 +1    0.0000000 +0     1     2     0
 Br     2.51207387 +1  126.3696323 +1 -179.9932260 +1     2     3     1
 Br     2.51218818 +1  126.4620802 +1  179.9955137 +1     1     3     2
 Br     2.51088685 +1   52.4559982 +1 -179.9911764 +1     2     1     3