Accuracy

1,2 diiodotetrafluoroethane   6031 1,2 Diiodotetrafluoroethane

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    #  Species Formula
  6021 1,2-DiiodoethaneC2H4I2
  6022 1,2-DiiodopropaneC3H6I2
  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 Diiodotetrafluoroethane C2F4I2
  6032 Sodium iodide, dimer (Geo)Na2I2
  6033 Magnesium diiodideMgI2
  6034 Magnesium diiodide (Geo)MgI2
  6035 Al(III)C2I2(-) (CSIMAL) (Geo)C2H6AlI2
  6036 Al(III)C2I2(-) (CSIMAL)C2H6AlI2
  6037 Silicon diiodideSiI2
  6038 DiiodosilaneH2SiI2
  6039 C2PI (GUTJOU) (Geo)C10H6P2I2
  6040 Potassium iodide, dimer (Geo)K2I2
  6041 Potassium iodide, dimerK2I2


ΔHf: -159.3 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 Diiodotetrafluoroethane
 H=-159.3 HR=NIST
  C    -0.00086570 +1  -0.02119313 +1  -0.03694072 +1
  C     1.56331420 +1   0.01448793 +1   0.02429138 +1
  F    -0.48140969 +1   1.21958274 +1   0.01426057 +1
  F     2.04318486 +1   0.59601070 +1  -1.07349525 +1
  F     2.04293187 +1  -1.22710274 +1  -0.02457500 +1
  F    -0.48053225 +1  -0.60569872 +1   1.05922624 +1
  I    -0.86955421 +1  -1.02241112 +1  -1.78490003 +1
  I     2.43237166 +1   1.01860639 +1   1.76977563 +1