PM7 Accuracy

tetrahydropyran    779 Tetrahydropyran

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    #  Species Formula
   769 TetrahydrofuranC4H8O
   770 Diethyl etherC4H10O
   771 t-ButanolC4H10O
   772 C-C-C-C-C-O (Geo)C5O
   773 2,3-Dihydro-5-methyl-furanC5H8O
   774 2-EthylacroleinC5H8O
   775 3,4-Dihydro-2H-pyranC5H8O
   776 3-Penten-2-oneC5H8O
   777 CyclopentanoneC5H8O
   778 Diethyl ketoneC5H10O
   779 Tetrahydropyran C5H10O
   780 t-Butyl methyl etherC5H12O
   781 Phenoxy, anionC6H5O
   782 PhenolC6H6O
   783 4-Methyl-3-penten-2-oneC6H10O
   784 CyclohexanoneC6H10O
   785 Methyl neopentyl ketoneC6H12O
   786 Di-isopropyl etherC6H14O
   787 BenzaldehydeC7H6O
   788 AnisoleC7H8O
   789 m-CresolC7H8O


DHf: -53.4 kcal/mol,     REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
  
 PM7
Tetrahydropyran
 H=-53.4 HR=C&P1970
  O    -0.01414862  1   0.03207035  1  -0.02864492  1
  C     1.40090173  1   0.01592481  1   0.01190771  1
  C     1.97083913  1   1.43770701  1   0.00039916  1
  C     1.37931423  1   2.23575089  1   1.16863379  1
  C    -0.15196426  1   2.17066007  1   1.11823009  1
  C    -0.60221759  1   0.70758523  1   1.06698026  1
  H     1.65162575  1  -0.54406602  1  -0.90739868  1
  H     1.73710731  1  -0.55478908  1   0.89487836  1
  H     3.07256350  1   1.41399671  1   0.05829005  1
  H     1.72020900  1   1.93172729  1  -0.95768900  1
  H     1.71870988  1   3.28668446  1   1.12439745  1
  H     1.74891316  1   1.83610890  1   2.13146886  1
  H    -0.59589085  1   2.68102653  1   1.98976604  1
  H    -0.52109959  1   2.70395063  1   0.22140242  1
  H    -1.68139030  1   0.60852442  1   0.84858723  1
  H    -0.36390620  1   0.16945468  1   2.00043915  1