Accuracy

1,3-diiodopropane   6023 1,3-Diiodopropane

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    #  Species Formula
  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-DiiodopropaneC3H6I2
  6023 1,3-Diiodopropane C3H6I2
  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
  6033 Magnesium diiodideMgI2


ΔHf: 10.8 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
1,3-Diiodopropane
 H=10.8 HR=NIST
  I     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     2.16435669 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.52695029 +1  112.2465899 +1    0.0000000 +0     2     1     0
  C     1.52557974 +1  108.2566677 +1 -179.9641494 +1     3     2     1
  I     2.16583094 +1  112.1046582 +1 -179.9586177 +1     4     3     2
  H     1.10185861 +1  106.3087727 +1 -122.3266866 +1     2     1     3
  H     1.10185492 +1  106.3196309 +1  122.3478533 +1     2     1     3
  H     1.11074732 +1  110.6806983 +1   58.3323452 +1     3     2     1
  H     1.11073397 +1  110.6764306 +1  -58.3136287 +1     3     2     1
  H     1.10177604 +1  111.7067693 +1   60.9054379 +1     4     3     2
  H     1.10178042 +1  111.7210100 +1  -60.7876276 +1     4     3     2