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

e-1-iodo-1-propene   5825 E-1-Iodo-1-propene

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    #  Species Formula
  5815 Hydrogen iodide (Geo)HI
  5816 Hydrogen iodideHI
  5817 Lithium iodide (Geo)LiI
  5818 Lithium iodideLiI
  5819 Beryllium iodide (Geo)BeI
  5820 Beryllium iodideBeI
  5821 Iodomethane (Geo)CH3I
  5822 Methyl iodideCH3I
  5823 IodoethaneC2H5I
  5824 3-Iodo-1-propeneC3H5I
  5825 E-1-Iodo-1-propene C3H5I
  5826 Z-1-Iodo-1-propeneC3H5I
  5827 1-IodopropaneC3H7I
  5828 2-IodopropaneC3H7I
  5829 1-Butyl iodideC4H9I
  5830 2-Iodo-2-methylpropaneC4H9I
  5831 Iodobenzene (Geo)C6H5I
  5832 IodobenzeneC6H5I
  5833 IodocyclohexaneC6H11I
  5834 Benzyl iodideC7H7I
  5835 m-IodotolueneC7H7I


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