PM7 Accuracy

cyclopentanone    777 Cyclopentanone

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    #  Species Formula
   767 IsobutanalC4H8O
   768 Methyl ethyl ketoneC4H8O
   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 Cyclopentanone C5H8O
   778 Diethyl ketoneC5H10O
   779 TetrahydropyranC5H10O
   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


DHf: -46.0 kcal/mol,     REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
  
 PM7
Cyclopentanone
 H=-46.03 HR=C&P1970
  C    -0.00529836  1  -0.02004371  1  -0.06180198  1
  C     1.53824571  1  -0.00404342  1   0.00969153  1
  C     1.97404601  1   1.46479037  1  -0.05016394  1
  C    -0.44135314  1   1.33811507  1  -0.62436613  1
  C     0.76557555  1   2.23872798  1  -0.51877910  1
  O     0.76468773  1   3.41214541  1  -0.77347796  1
  H    -0.36396802  1  -0.85264002  1  -0.68852580  1
  H    -0.43692039  1  -0.18490474  1   0.94084941  1
  H     1.96981516  1  -0.57441777  1  -0.83148077  1
  H     1.89709445  1  -0.49654979  1   0.92801138  1
  H     2.83166545  1   1.62366370  1  -0.72836016  1
  H     2.30517979  1   1.84179157  1   0.93619255  1
  H    -0.76787861  1   1.26691179  1  -1.67904286  1
  H    -1.30218487  1   1.76479522  1  -0.07899178  1