Accuracy

1,2-diiodopropane   6022 1,2-Diiodopropane

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    #  Species Formula
  6012 Beryllium diiodide (Geo)BeI2
  6013 Beryllium diiodideBeI2
  6014 Diiodomethane (Geo)CH2I2
  6015 DiiodomethaneCH2I2
  6016 DiiodoacetyleneC2I2
  6017 E-1,2-DiiodoetheneC2H2I2
  6018 E-1,2-Diiodoethylene (Geo)C2H2I2
  6019 Z-1,2-DiiodoetheneC2H2I2
  6020 Z-1,2-Diiodoethylene (Geo)C2H2I2
  6021 1,2-DiiodoethaneC2H4I2
  6022 1,2-Diiodopropane C3H6I2
  6023 1,3-DiiodopropaneC3H6I2
  6024 1,2-DiiodobutaneC4H8I2
  6025 1,4-DiiodobutaneC4H8I2
  6026 1,2-DiiodobenzeneC6H4I2
  6027 1,2-Diiodobenzene (Geo)C6H4I2
  6028 Li(II)2I2N4 (SAJVAA) (Geo)C12H32Li2N4I2
  6029 Li(II)2I2N4 (SAJVAA)C12H32Li2N4I2
  6030 5,7-Diiodo-8-hydroxyquinolineC9H5NOI2
  6031 1,2 DiiodotetrafluoroethaneC2F4I2
  6032 Sodium iodide, dimer (Geo)Na2I2


ΔHf: 8.5 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.
  
 PM7
1,2-Diiodopropane
 H=8.5 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  H     1.10369591 +1    0.0000000 +0    0.0000000 +0     1     0     0
  H     1.10432436 +1  108.0021078 +1    0.0000000 +0     1     2     0
  C     1.51899152 +1  112.2360593 +1 -125.0726382 +1     1     2     3
  I     2.17247719 +1  105.9554150 +1 -123.1196636 +1     1     2     4
  H     2.17512529 +1  100.0182422 +1  -74.3221754 +1     4     1     2
  H     1.76502351 +1   66.7333990 +1   87.9420647 +1     6     4     1
  C     1.09847860 +1   36.6279055 +1   36.1192482 +1     7     6     4
  H     1.09953088 +1  107.0459923 +1  112.7098209 +1     8     7     6
  I     2.20339162 +1  108.3013430 +1  147.4432643 +1     4     1     6
  H     1.11333959 +1  111.7920235 +1  113.1511966 +1     4     1    10