Accuracy

e-c2h2i2r   1935 E-1,2-Diiodoethylene (Geo)

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    #  Species Formula
  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
  1943 1,4-DiiodobutaneC4H8I2
  1944 1,2-DiiodobenzeneC6H4I2
  1945 1,2-Diiodobenzene (Geo)C6H4I2


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.
  
     PULAY
E-1,2-Diiodoethylene
 <C=C> <C-H><H-C-C> <C-I><C-C-I> GR=PW91D
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.33775400 +1    0.0000000 +0    0.0000000 +0     1     0     0
  H     1.09166100 +1  124.6214510 +1    0.0000000 +0     2     1     0
  I     2.12275600 +1  121.5674890 +1    0.0000000 +1     1     2     3
  H     1.08112557 +1  127.1646312 +1  179.9999999 +1     1     2     4
  I     2.09884612 +1  122.1063771 +1  180.0000000 +1     2     1     3