Accuracy

iodoform   1949 Iodoform

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    #  Species Formula
  1939 1,2-DiiodoethaneC2H4I2
  1940 1,2-DiiodopropaneC3H6I2
  1941 1,3-DiiodopropaneC3H6I2
  1942 1,2-DiiodobutaneC4H8I2
  1943 1,4-DiiodobutaneC4H8I2
  1944 1,2-DiiodobenzeneC6H4I2
  1945 1,2-Diiodobenzene (Geo)C6H4I2
  1946 5,7-Diiodo-8-hydroxyquinolineC9H5NOI2
  1947 1,2 DiiodotetrafluoroethaneC2F4I2
  1948 Iodoform (Geo)HCI3
  1949 Iodoform HCI3
     1 Hydrogen, atomH
     2 Hydrogen (Geo)H2
     3 HydrogenH2
     4 Carbon, atomC
     5 MethylidyneHC
     6 Methylene, singlet (Geo)CH2
     7 Methylene, triplet (Geo)CH2
     8 Methylene, singletCH2
     9 Methyl, cationCH3
    10 Methane (Geo)CH4


ΔHf: 50.4 kcal/mol,     REF: S. A. Kudchadker, A. P. Kudchadker, J. Phys. Chem. Ref. Data, 4, 457 (1975).
  
 SYMMETRY
Iodoform
 H=50.4 HR=KK1975
 
  H     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.10324811 +1    0.0000000 +0    0.0000000 +0     1     0     0
  I     2.17450976 +1  106.0881024 +1    0.0000000 +0     2     1     0
  I     2.17450976 +1  106.0881024 +1  120.0000000 +1     2     1     3
  I     2.17450976 +1  106.0881024 +1 -120.0000000 +1     2     1     3
 
   3  1    4    5
   3  2    4    5