Accuracy

diiodoacetylene   6016 Diiodoacetylene

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    #  Species Formula
  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 Diiodoacetylene C2I2
  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


I.P.: 9.0 eV,     REF: E. Heilbronner, V. Hornung, E. Kloster-Jensen, Helv. Chim. Acta, 53, 331 (1970).
  
 SYMMETRY PM7
Diiodoacetylene
 I=9.03 IR=HHK1970 S=74.83 CP=16.80
 
 XX     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.00000000 +0    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.20898563 +1   90.0000000 +0    0.0000000 +0     2     1     0
 XX     1.00000000 +0   90.0000000 +0    0.0000000 +0     3     2     1
  I     1.99706596 +1   90.0000000 +0  180.0000000 +0     3     4     1
  I     1.99706596 +0   90.0000000 +0  180.0000000 +0     2     1     4
 
   5  1    6