Accuracy

cyclononanone    860 Cyclononanone

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    #  Species Formula
   850 3,4-Dihydro-2H-1-benzopyranC9H10O
   851 Benzyl methyl ketoneC9H10O
   852 2(-1-Methylethyl)-phenolC9H12O
   853 2,4,6-Trimethyl phenolC9H12O
   854 3(-1-Methylethyl)-phenolC9H12O
   855 4-(-1-Methylethyl)-phenolC9H12O
   856 2,6,6-Trimethyl-2-cyclohexen-1-oneC9H14O
   857 Bicycle[3.3.1]nonan-9-one -check -3-oneC9H14O
   858 cis Octahydro-2H-inden-2-oneC9H14O
   859 trans Octahydro-2H-inden-2-oneC9H14O
   860 Cyclononanone C9H16O
   861 2,6-Dimethyl-4-heptanoneC9H18O
   862 2-NonanoneC9H18O
   863 3,3,4,4-Tetramethyl-2-pentanoneC9H18O
   864 5-NonanoneC9H18O
   865 Di-tert-butyl ketoneC9H18O
   866 1-NonanolC9H20O
   867 Amyl-t-butyl etherC9H20O
   868 Butyl 1,1-dimethylpropyl etherC9H20O
   869 4-Phenyl-3-buten-2-oneC10H10O
   870 2-AdamantoneC10H14O


ΔHf: -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