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

zirconium diiodide   6095 Zirconium diiodide

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    #  Species Formula
  6085 Sr(II)N5I2 (TANQUU) (Geo)C10H15N5SrI2
  6086 Sr(II)N5I2 (TANQUU)C10H15N5SrI2
  6087 Sr(II)N2O2I2 (TAQPUW) (Geo)C9H28N2O3SrI2
  6088 Sr(II)N2O2I2 (TAQPUW)C9H28N2O3SrI2
  6089 cis-Sr(II)(H2O)4.I2H8O4SrI2
  6090 cis-Sr(II)(H2O)4.I2 (Geo)H8O4SrI2
  6091 Sr(II)O6I2 (FOGRUP) (Geo)C12H30O6SrI2
  6092 Sr(II)O6I2 (FOGRUP)C12H30O6SrI2
  6093 Y(III)O5I2(+) (ERASIZ) (Geo)C20H40O5YI2
  6094 Y(III)O5I2(+) (ERASIZ)C20H40O5YI2
  6095 Zirconium diiodide ZrI2
  6096 Zr(IV)(Cp)2I2 (IDCPZR) (Geo)C10H10ZrI2
  6097 Zr(IV)(Cp)2I2 (IDCPZR)C10H10ZrI2
  6098 Zirconium(IV) oxide diiodideOZrI2
  6099 Zirconium(IV) oxide diiodide (Geo)OZrI2
  6100 Bicyclopentadienyl molybdenum diiodideC10H10MoI2
  6101 Mo(Cp)2I2C10H10MoI2
  6102 Molybdenum(VI) dioxide diiodideO2MoI2
  6103 Molybdenum(VI) diiodide dioxide (Geo)O2MoI2
  6104 Ruthenium(IV) oxide diiodideORuI2
  6105 RuN2(CO)2I2 (TAWVUI) (Geo)C12H8N2O2RuI2


ΔHf: -15.9 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.
  
 TRIPLET UHF SYMMETRY SHIFT=30 PM7
Zirconium diiodide
 H=-15.93 HR=NIST
  I     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Zr     2.99892038 +1    0.0000000 +0    0.0000000 +0     1     0     0
  I     2.99892038 +0  179.9871712 +1    0.0000000 +0     2     1     0