PM7 Accuracy Date:Mon Feb 11 04:20:05 2019

e-c2h2i2r   6019 E-1,2-Diiodoethylene (Geo)

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    #  Species Formula
  6009 Iodine (Geo)I2
  6010 Iodine dimerI2
  6011 Lithium iodide dimer (Geo)Li2I2
  6012 Lithium iodide, dimerLi2I2
  6013 Beryllium diiodide (Geo)BeI2
  6014 Beryllium diiodideBeI2
  6015 Diiodomethane (Geo)CH2I2
  6016 DiiodomethaneCH2I2
  6017 DiiodoacetyleneC2I2
  6018 E-1,2-DiiodoetheneC2H2I2
  6019 E-1,2-Diiodoethylene (Geo) C2H2I2
  6020 Z-1,2-DiiodoetheneC2H2I2
  6021 Z-1,2-Diiodoethylene (Geo)C2H2I2
  6022 1,2-DiiodoethaneC2H4I2
  6023 1,2-DiiodopropaneC3H6I2
  6024 1,3-DiiodopropaneC3H6I2
  6025 1,2-DiiodobutaneC4H8I2
  6026 1,4-DiiodobutaneC4H8I2
  6027 1,2-DiiodobenzeneC6H4I2
  6028 1,2-Diiodobenzene (Geo)C6H4I2
  6029 Li(II)2I2N4 (SAJVAA) (Geo)C12H32Li2N4I2


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 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