PM7 Accuracy

cycloheptanone    799 Cycloheptanone

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    #  Species Formula
   789 m-CresolC7H8O
   790 o-CresolC7H8O
   791 p-CresolC7H8O
   792 2-Methyl-5-hexen-3-yn-2-olC7H10O
   793 2-NorbornanoneC7H10O
   794 cis-2,3-Epoxybicyclo[2.2.1]heptaneC7H10O
   795 Norbornan-7-oneC7H10O
   796 1-Methoxy cyclohexeneC7H12O
   797 Bicyclo[2.2.1]heptan-7-olC7H12O
   798 cis-1,2-EpoxycycloheptaneC7H12O
   799 Cycloheptanone C7H12O
   800 2,4-Dimethyl 3-pentanoneC7H14O
   801 2-Methyl cis-cyclohexanolC7H14O
   802 3,3-Dimethyl-2-pentanoneC7H14O
   803 4-HeptanoneC7H14O
   804 HeptanalC7H14O
   805 t-Butyl ethyl ketoneC7H14O
   806 n-HeptanolC7H16O
   807 t-Butyl isopropyl etherC7H16O
   808 BenzofuranC8H6O
   809 1,3-Dihydro isobenzofuranC8H8O


DHf: -59.3 kcal/mol,     REF: NIST Chemistry WebBook, NIST Standard Reference Database, No. 69; W. G. Mallard, P. J. Linstrom, Eds., National Institute of Standards and Technology, Gaithersberg, http://webbook.nist.gov/chemistry.
  
 PM7
Cycloheptanone
 H=-59.3 HR=NIST
  C    -0.03123306  1  -0.02269729  1   0.01970787  1
  C    -0.12355929  1   1.27110897  1   0.84080201  1
  C     0.73619258  1   2.41411940  1   0.28312989  1
  C     2.19745179  1   2.03055298  1   0.00474322  1
  C     2.63269021  1   0.88256759  1   0.88467514  1
  C     2.45220236  1  -0.51187113  1   0.32869283  1
  C     1.01887546  1  -0.98804880  1   0.58679189  1
  O     3.11647138  1   1.06662903  1   1.97246537  1
  H    -1.01745896  1  -0.52545235  1   0.01123053  1
  H     0.19273607  1   0.20717461  1  -1.03761512  1
  H     0.16129943  1   1.07351378  1   1.89402006  1
  H    -1.17771409  1   1.60757930  1   0.88616048  1
  H     0.71079765  1   3.25817639  1   1.00289955  1
  H     0.28164779  1   2.80184597  1  -0.64893305  1
  H     2.85307033  1   2.90660700  1   0.18865028  1
  H     2.32942038  1   1.77266285  1  -1.06206504  1
  H     3.17162503  1  -1.20367650  1   0.81373706  1
  H     2.68089475  1  -0.53936037  1  -0.75201187  1
  H     0.86134190  1  -1.12178133  1   1.67606265  1
  H     0.88177708  1  -1.99303528  1   0.14121679  1