Accuracy

ch2i2r   6014 Diiodomethane (Geo)

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    #  Species Formula
  6004 Sb(III)C2I (DOQWEL)C2H6SbI
  6005 Sb(III)IC2 (DOQWEL) (Geo)C2H6SbI
  6006 Sb(III)C2IN (GIVSIN) (Geo)C7H15NSbI
  6007 SbIS2 (AFOFAD) (Geo)C2H4S2SbI
  6008 Iodine (Geo)I2
  6009 Iodine dimerI2
  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


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
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