Accuracy

e-1-iodo-1-propene   5823 E-1-Iodo-1-propene

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    #  Species Formula
  5813 Hydrogen iodide (Geo)HI
  5814 Hydrogen iodideHI
  5815 Lithium iodide (Geo)LiI
  5816 Lithium iodideLiI
  5817 Beryllium iodide (Geo)BeI
  5818 Beryllium iodideBeI
  5819 Iodomethane (Geo)CH3I
  5820 Methyl iodideCH3I
  5821 IodoethaneC2H5I
  5822 3-Iodo-1-propeneC3H5I
  5823 E-1-Iodo-1-propene C3H5I
  5824 Z-1-Iodo-1-propeneC3H5I
  5825 1-IodopropaneC3H7I
  5826 2-IodopropaneC3H7I
  5827 1-Butyl iodideC4H9I
  5828 2-Iodo-2-methylpropaneC4H9I
  5829 tert-Butyl iodideC4H9I
  5830 Iodobenzene (Geo)C6H5I
  5831 IodobenzeneC6H5I
  5832 IodocyclohexaneC6H11I
  5833 Benzyl iodideC7H7I


ΔHf: 22.3 kcal/mol,     REF: J. B. Pedley, B. S. Iseard, "CATCH Tables of Silicon Compounds," University of Sussex, 1972
  
 SYMMETRY PM7
E-1-Iodo-1-propene
 HR=CATCH H=22.26
 
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.33186516 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.48871005 +1  121.6923144 +1    0.0000000 +0     2     1     0
 XX     5.00000000 +0  127.1457417 +1  180.0000000 +0     3     2     1
  H     1.09876916 +1  113.4395655 +1    0.0000000 +0     3     2     1
  H     1.10157898 +1   53.4578705 +1   90.0000000 +0     3     4     5
  H     1.10157898 +0   53.4578705 +0  -90.0000000 +0     3     4     5
  H     1.09181292 +1  123.7007084 +1  180.0000000 +0     2     1     3
  I     2.10254203 +1  122.4497970 +1  180.0000000 +0     1     2     3
  H     1.08036314 +1  125.6921379 +1    0.0000000 +0     1     2     3
 
   6  1    7
   6  2    7