Accuracy

ch2i2r   1932 Diiodomethane (Geo)

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    #  Species Formula
  1922 TrifluoroiodomethaneCF3I
  1923 1,1,1-Trifluoro-2-iodoethaneC2H2F3I
  1924 Iodine pentafluoride (Geo)F5I
  1925 Iodine pentafluorideF5I
  1926 PentafluoroiodobenzeneC6F5I
  1927 Iodomethyl methyl sulfideC2H5SI
  1928 1,2-ChloroiodoethaneC2H4ClI
  1929 1-Chloro-4-iodobutadieneC4H4ClI
  1930 1-Bromo-4-iodobutadieneC4H4BrI
  1931 1-Bromo-4-iodobutadiene (Geo)C4H4BrI
  1932 Diiodomethane (Geo) CH2I2
  1933 DiiodomethaneCH2I2
  1934 DiiodoacetyleneC2I2
  1935 E-1,2-Diiodoethylene (Geo)C2H2I2
  1936 Z-1,2-Diiodoethylene (Geo)C2H2I2
  1937 E-1,2-DiiodoetheneC2H2I2
  1938 Z-1,2-DiiodoetheneC2H2I2
  1939 1,2-DiiodoethaneC2H4I2
  1940 1,2-DiiodopropaneC3H6I2
  1941 1,3-DiiodopropaneC3H6I2
  1942 1,2-DiiodobutaneC4H8I2


REF: Estimated from DGauss results of DFT calculations, using the B88-PW91 functional and the DZVP basis set, in CAChe 6.0, Fujitsu Ltd, 2003.
  

Diiodomethane
 <C-H> <><H-C-H> <C-I> GR=PW91D
  H     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.09241100 +1    0.0000000 +0    0.0000000 +0     1     0     0
  H     1.09613732 +1  112.0038760 +1    0.0000000 +0     2     1     0
  I     2.17676700 +1  107.3380547 +1 -117.3416600 +1     2     1     3
  I     2.15438276 +1  107.8180109 +1 -125.1497377 +1     2     1     4