PM7 Accuracy

cyclononanone    863 Cyclononanone

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    #  Species Formula
   853 3,4-Dihydro-2H-1-benzopyranC9H10O
   854 Benzyl methyl ketoneC9H10O
   855 2(-1-Methylethyl)-phenolC9H12O
   856 2,4,6-Trimethyl phenolC9H12O
   857 3(-1-Methylethyl)-phenolC9H12O
   858 4-(-1-Methylethyl)-phenolC9H12O
   859 2,6,6-Trimethyl-2-cyclohexen-1-oneC9H14O
   860 Bicycle[3.3.1]nonan-9-one -check -3-oneC9H14O
   861 cis Octahydro-2H-inden-2-oneC9H14O
   862 trans Octahydro-2H-inden-2-oneC9H14O
   863 Cyclononanone C9H16O
   864 2,6-Dimethyl-4-heptanoneC9H18O
   865 2-NonanoneC9H18O
   866 3,3,4,4-Tetramethyl-2-pentanoneC9H18O
   867 5-NonanoneC9H18O
   868 Di-tert-butyl ketoneC9H18O
   869 1-NonanolC9H20O
   870 Amyl-t-butyl etherC9H20O
   871 Butyl 1,1-dimethylpropyl etherC9H20O
   872 4-Phenyl-3-buten-2-oneC10H10O
   873 2-AdamantoneC10H14O


DHf: -66.9 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
Cyclononanone
 H=-66.9 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.51122951  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.53362590  1  110.5907989  1    0.0000000  0     2     1     0
  C     1.53768486  1  112.3547116  1   65.9242194  1     3     2     1
  C     1.53633695  1  113.3327700  1 -116.8999267  1     4     3     2
  C     1.53638791  1  112.8012961  1   75.6802394  1     5     4     3
  C     1.53865305  1  113.3783865  1  -93.0447940  1     6     5     4
  C     1.53623451  1  112.6072776  1  128.9907609  1     7     6     5
  C     1.51053323  1  117.5971344  1   71.9454814  1     1     2     3
  O     1.20603966  1  120.9804320  1  177.9222813  1     1     2     9
  H     1.10614098  1  110.1678687  1 -122.3988676  1     2     1     3
  H     1.11040107  1  109.7171375  1 -116.0677259  1     2     1    11
  H     1.10669408  1  109.9366263  1 -123.4197820  1     3     2     4
  H     1.10732341  1  108.9609874  1 -114.8845709  1     3     2    13
  H     1.10672953  1  109.4092933  1 -121.9575425  1     4     3     5
  H     1.10899757  1  110.2570396  1 -115.1208184  1     4     3    15
  H     1.10439871  1  110.4059743  1 -124.4083504  1     5     4     6
  H     1.10866402  1  108.5816035  1 -114.8230190  1     5     4    17
  H     1.10904304  1  109.4849672  1  123.7200632  1     6     5     7
  H     1.10631360  1  109.4066019  1  114.1845090  1     6     5    19
  H     1.10494293  1  110.7344317  1 -123.4288065  1     7     6     8
  H     1.10692053  1  109.1854138  1 -115.0447716  1     7     6    21
  H     1.10723881  1  109.5384344  1  151.9115132  1     8     7     6
  H     1.10974952  1  110.2363538  1 -115.7023247  1     8     7    23
  H     1.10484115  1  111.7406968  1   -2.4408742  1     9     1     2
  H     1.11074826  1  108.4045437  1  116.4438098  1     9     1    25