Accuracy

1,4-diiodobutane   6025 1,4-Diiodobutane

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    #  Species Formula
  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-DiiodobutaneC4H8I2
  6025 1,4-Diiodobutane C4H8I2
  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
  6035 Al(III)C2I2(-) (CSIMAL) (Geo)C2H6AlI2


ΔHf: 6.9 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
1,4-Diiodobutane
 H=6.93 HR=NIST
  I     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     2.16588773 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.52340757 +1  112.3602704 +1    0.0000000 +0     2     1     0
  C     1.53928966 +1  109.2510484 +1  179.9020913 +1     3     2     1
  C     1.52257179 +1  109.1954303 +1  179.9396778 +1     4     3     2
  I     2.16777938 +1  112.1085718 +1  179.8453327 +1     5     4     3
  H     1.10192694 +1  106.3109586 +1  122.3544459 +1     2     1     3
  H     1.10209471 +1  106.2710434 +1  115.3435471 +1     2     1     7
  H     1.10884454 +1  111.1109028 +1 -121.4004758 +1     3     2     4
  H     1.10895110 +1  111.0582271 +1 -117.3043304 +1     3     2     9
  H     1.10881947 +1  109.6694099 +1  122.2115254 +1     4     3     5
  H     1.10885591 +1  109.6822839 +1  115.7022503 +1     4     3    11
  H     1.10178285 +1  111.6857951 +1 -119.0712207 +1     5     4     6
  H     1.10163803 +1  111.7116818 +1 -121.7890732 +1     5     4    13