Accuracy

tl(iii)i4(-) (bokhue)   8066 Tl(III)I4(-) (BOKHUE)

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    #  Species Formula
  8056 Tl(III)Br5(2-) (BAQWUL)Br5Tl
  8057 Tl(III)Br6(3-) (FEQXII) (Geo)Br6Tl
  8058 Tl(III)Br6(3-) (FEQXII)Br6Tl
  8059 Thallium iodideITl
  8060 Thallium iodide (Geo)ITl
  8061 [Tl(III)I(H2O)5](2+)H10O5ITl
  8062 [Tl(III)I(H2O)5](2+) (Geo)H10O5ITl
  8063 trans-Tl(III)I2(H2O)4(+)H8O4I2Tl
  8064 trans-Tl(III)I2(H2O)4(+) (Geo)H8O4I2Tl
  8065 Tl(III)I4(-) (BOKHUE) (Geo)I4Tl
  8066 Tl(III)I4(-) (BOKHUE) I4Tl
  8067 Thallium fluoride dimer (Geo)F2Tl2
  8068 Thallium chloride dimerCl2Tl2
  8069 Lead, cationPb
  8070 Lead, atomPb
  8071 Lead hydrideHPb
  8072 Lead hydride (Geo)HPb
  8073 Lead tetrahydride (plumbane)H4Pb
  8074 Lithium plumbideLiPb
  8075 Trimethyllead, cationC3H9Pb
  8076 TrimethylleadC3H9Pb


ΔHf: -80.3 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=-1 PM7
Tl(III)I4(-) (BOKHUE)
 H=-80.3 HR=PW91D
 Tl     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  I     2.89028368 +1    0.0000000 +0    0.0000000 +0     1     0     0
  I     2.89025781 +1  109.4963875 +1    0.0000000 +0     1     2     0
  I     2.89025675 +1  109.4482019 +1  119.9686514 +1     1     2     3
  I     2.89025663 +1  109.4855932 +1  119.9713764 +1     1     2     4