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

z-1-iodo-1-propene   5826 Z-1-Iodo-1-propene

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    #  Species Formula
  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-propeneC3H5I
  5826 Z-1-Iodo-1-propene C3H5I
  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
  5836 o-IodotolueneC7H7I


ΔHf: 20.7 kcal/mol,     REF: J. B. Pedley, B. S. Iseard, "CATCH Tables of Silicon Compounds," University of Sussex, 1972
  
 PM7
Z-1-Iodo-1-propene
 HR=CATCH H=20.66
  C    -0.00739339 +1   0.00297582 +1  -0.00000067 +1
  C     1.32427097 +1   0.01672868 +1   0.00006696 +1
  C     2.23676268 +1   1.18762460 +1   0.00003082 +1
  H     1.73556930 +1   2.16412091 +1   0.00027111 +1
  H     2.89181076 +1   1.17452560 +1  -0.88650751 +1
  H     2.89237442 +1   1.17431726 +1   0.88616648 +1
  H     1.85713875 +1  -0.94569440 +1   0.00005797 +1
  H    -0.60163510 +1  -0.90278456 +1  -0.00004419 +1
  I    -1.24476416 +1   1.70188279 +1  -0.00002487 +1