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

crotonaldehyde    763 Crotonaldehyde

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    #  Species Formula
   753 Acetone (Geo)C3H6O
   754 PropanalC3H6O
   755 Trimethylene oxideC3H6O
   756 IsopropanolC3H8O
   757 Methyl ethyl etherC3H8O
   758 PropanolC3H8O
   759 Acetyl acetyleneC4H4O
   760 FuranC4H4O
   761 Furan (Geo)C4H4O
   762 2,3-DihydrofuranC4H6O
   763 Crotonaldehyde C4H6O
   764 Divinyl etherC4H6O
   765 ButanalC4H8O
   766 IsobutanalC4H8O
   767 Methyl ethyl ketoneC4H8O
   768 TetrahydrofuranC4H8O
   769 Diethyl etherC4H10O
   770 t-ButanolC4H10O
   771 C-C-C-C-C-O (Geo)C5O
   772 2,3-Dihydro-5-methyl-furanC5H8O
   773 2-EthylacroleinC5H8O


ΔHf: -24.0 kcal/mol,     REF: Assessment of Gaussian-3 and Density Functional Theories for a Larger Test Set" L. A. Curtiss, K. Raghavachari, P. C. Redfern, and J. A. Pople, Journal of Chemical Physics, 112, 7374 (2000).
  
 PM7
Crotonaldehyde
 H=-24 HR=G3-99
  O     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.20916719 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.47299243 +1  121.5400477 +1    0.0000000 +0     2     1     0
  C     1.33841574 +1  122.2022725 +1  179.8919811 +1     3     2     1
  C     1.48604491 +1  122.6399730 +1  179.9122487 +1     4     3     2
  H     1.09820694 +1  120.1054732 +1  179.9974414 +1     2     1     3
  H     1.09007917 +1  114.9690842 +1 -179.9940175 +1     3     2     4
  H     1.09213609 +1  121.8591662 +1 -179.9111824 +1     4     3     5
  H     1.10212513 +1  111.4529862 +1  -61.0767416 +1     5     4     3
  H     1.10191729 +1  111.6029519 +1  118.8202670 +1     5     4     9
  H     1.09789561 +1  112.8969577 +1  120.6492453 +1     5     4    10