PM7 Accuracy Date:Mon Feb 11 04:20:05 2019

thallium iodide   8060 Thallium iodide

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    #  Species Formula
  8050 trans-Tl(III)Br2(H2O)4(+)H8O4Br2Tl
  8051 trans-Tl(III)Br2(H2O)4(+) (Geo)H8O4Br2Tl
  8052 Tl(III)N2Br3 (CEJMOT) (Geo)C10H10N2Br3Tl
  8053 Tl(III)N2Br3 (CEJMOT)C10H10N2Br3Tl
  8054 Tl(III)Br4(-) (CAFSUX) (Geo)Br4Tl
  8055 Tl(III)Br4(-) (CAFSUX)Br4Tl
  8056 Tl(III)Br5(2-) (BAQWUL) (Geo)Br5Tl
  8057 Tl(III)Br5(2-) (BAQWUL)Br5Tl
  8058 Tl(III)Br6(3-) (FEQXII) (Geo)Br6Tl
  8059 Tl(III)Br6(3-) (FEQXII)Br6Tl
  8060 Thallium iodide ITl
  8061 Thallium iodide (Geo)ITl
  8062 [Tl(III)I(H2O)5](2+)H10O5ITl
  8063 [Tl(III)I(H2O)5](2+) (Geo)H10O5ITl
  8064 trans-Tl(III)I2(H2O)4(+)H8O4I2Tl
  8065 trans-Tl(III)I2(H2O)4(+) (Geo)H8O4I2Tl
  8066 Tl(III)I4(-) (BOKHUE) (Geo)I4Tl
  8067 Tl(III)I4(-) (BOKHUE)I4Tl
  8068 Thallium fluoride dimer (Geo)F2Tl2
  8069 Thallium chloride dimerCl2Tl2
  8070 Lead, cationPb


ΔHf: 1.7 kcal/mol,     REF: D. D. Wagman, W. H. Evans, V. B. Parker, R. H. Schumm, I. Halow, S. M. Bailey, K. L. Churney, R. L. Nuttall, J. Phys. Chem. Ref. Data Suppl. 11, 2 (1982).
Dipole: 4.6 Debye,     REF: A. L. McClellan, "Tables of Experimental Dipole Moments," Vol 2, Rahara Enterprises, El Cerrito, (1974).
I.P.: 8.5 eV,     REF: R. D. Levin, S. G. Lias, "Ionization Potentials and Appearance Potential Measurements," 1971-1981, Natl. Stand. Ref. Data Ser., Natl. Bur. Stand. 71, (1982), Cat. No. C13.48:71.
  
 GEO-OK PM7
Thallium iodide
 H=1.7 HR=WEPS1982 I=8.47 IR=LLNBS82 D=4.607 DR=MCC1974
 Tl     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  I     2.93586572 +1    0.0000000 +0    0.0000000 +0     1     0     0