Accuracy

1,2-diiodobutane   6024 1,2-Diiodobutane

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    #  Species Formula
  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-DiiodopropaneC3H6I2
  6024 1,2-Diiodobutane C4H8I2
  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
  6034 Magnesium diiodide (Geo)MgI2


ΔHf: 2.9 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.
  
 PM7
1,2-Diiodobutane
 H=2.9 HR=NIST
  I     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     2.16384500 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.52617824 +1  112.0550021 +1    0.0000000 +0     2     1     0
  C     1.53427350 +1  109.3309396 +1 -179.6354361 +1     3     2     1
  C     1.51968724 +1  112.1544575 +1  -70.9172111 +1     4     3     2
  H     1.09875634 +1  112.7194778 +1  -56.8286627 +1     5     4     3
  H     1.10173007 +1  106.0820592 +1  122.3686864 +1     2     1     3
  H     1.10179137 +1  106.3477551 +1  115.3647480 +1     2     1     7
  H     1.11002672 +1  111.0902045 +1 -121.8256770 +1     3     2     4
  H     1.11126073 +1  109.9099901 +1 -116.2707863 +1     3     2     9
  H     1.11128304 +1  110.6330612 +1  124.1264567 +1     4     3     5
  I     2.19521452 +1  109.6417319 +1  113.8233462 +1     4     3    11
  H     1.09943905 +1  110.8725239 +1  119.6897725 +1     5     4     6
  H     1.09912858 +1  112.7545739 +1  118.9519685 +1     5     4    13