PM7 Accuracy

tetrahydrofuran    769 Tetrahydrofuran

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    #  Species Formula
   759 PropanolC3H8O
   760 Acetyl acetyleneC4H4O
   761 FuranC4H4O
   762 Furan (Geo)C4H4O
   763 2,3-DihydrofuranC4H6O
   764 CrotonaldehydeC4H6O
   765 Divinyl etherC4H6O
   766 ButanalC4H8O
   767 IsobutanalC4H8O
   768 Methyl ethyl ketoneC4H8O
   769 Tetrahydrofuran C4H8O
   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 TetrahydropyranC5H10O


DHf: -44.0 kcal/mol,     REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
  
 PM7
Tetrahydrofuran
 H=-44.02 HR=C&P1970
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.53970706  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.53480450  1  104.8450783  1    0.0000000  0     2     1     0
  C     1.53477151  1  104.8117461  1   -0.2297286  1     1     2     3
  O     1.42172508  1  108.2589565  1   12.0954095  1     3     2     1
  H     1.10107643  1  111.5870167  1  120.7518630  1     1     2     3
  H     1.10201019  1  111.0983060  1 -120.7315085  1     1     2     3
  H     1.10103787  1  111.5980198  1 -121.2788847  1     2     1     4
  H     1.10215614  1  111.0665622  1  120.2252090  1     2     1     4
  H     1.10233973  1  112.7783250  1 -106.4634703  1     3     2     1
  H     1.10189578  1  113.8208482  1  127.4923051  1     3     2     1
  H     1.10226851  1  112.7635707  1  106.8816947  1     4     1     2
  H     1.10187652  1  113.7801643  1 -127.1171077  1     4     1     2