Accuracy

z-c2h2i2r   6020 Z-1,2-Diiodoethylene (Geo)

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    #  Species Formula
  6010 Lithium iodide dimer (Geo)Li2I2
  6011 Lithium iodide, dimerLi2I2
  6012 Beryllium diiodide (Geo)BeI2
  6013 Beryllium diiodideBeI2
  6014 Diiodomethane (Geo)CH2I2
  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-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


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.
  
 PM7
Z-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     1.34070000 +1    0.0000000 +0    0.0000000 +0     1     0     0
  H     1.09425600 +1  119.9741380 +1    0.0000000 +0     2     1     0
  H     1.08678095 +1  122.1201426 +1   -0.0001367 +1     1     2     3
  I     2.10796800 +1  127.0270010 +1  179.9999046 +1     1     2     4
  I     2.09385380 +1  127.9843645 +1 -179.9999690 +1     2     1     3