Accuracy

2-nonanone    862 2-Nonanone

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    #  Species Formula
   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 CyclononanoneC9H16O
   861 2,6-Dimethyl-4-heptanoneC9H18O
   862 2-Nonanone C9H18O
   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
   871 2-Isopropyl-4-methylphenolC10H14O
   872 2-Isopropyl-5-methylphenolC10H14O


ΔHf: -81.5 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
2-Nonanone
 H=-81.45 HR=NIST
  O     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     4.26138343 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.53412006 +1  116.3145911 +1    0.0000000 +0     2     1     0
  C     1.53418104 +1  110.6351647 +1  178.0663685 +1     3     2     1
  C     1.53501880 +1  110.6676238 +1 -179.8805044 +1     4     3     2
  C     1.52916632 +1  110.8165371 +1 -179.9755689 +1     5     4     3
  C     1.53282994 +1  110.4593260 +1    2.0340102 +1     2     3     1
  C     1.53203852 +1  110.8161061 +1 -179.8848649 +1     7     2     3
  C     1.20467741 +1   62.8566870 +1  174.6412637 +1     1     2     3
  C     1.50281353 +1  121.3007970 +1 -176.5833535 +1     9     1     2
  H     1.10604787 +1  110.0991433 +1  121.7151326 +1     3     2     4
  H     1.10608352 +1  110.0851673 +1  116.4790957 +1     3     2    11
  H     1.10546294 +1  110.1759440 +1  121.6910941 +1     4     3     5
  H     1.10537654 +1  110.1633104 +1  116.5554650 +1     4     3    13
  H     1.10623537 +1  110.0528236 +1  121.7472032 +1     5     4     6
  H     1.10622628 +1  110.0554172 +1  116.4315484 +1     5     4    15
  H     1.09559193 +1  111.4264950 +1  -59.9449254 +1     6     5     4
  H     1.09557494 +1  111.4156019 +1  120.0879569 +1     6     5    17
  H     1.09544340 +1  111.2848363 +1  119.9505738 +1     6     5    18
  H     1.10573216 +1  105.4890985 +1  -63.2223215 +1     2     1     9
  H     1.10744045 +1  110.5476956 +1 -122.0722747 +1     7     2     8
  H     1.10763892 +1  110.3447307 +1  -57.5787605 +1     8     7     2
  H     1.10894206 +1  110.1498984 +1  116.3229495 +1     8     7    22
  H     1.09945100 +1  110.2965919 +1   89.8103808 +1    10     9     1
  H     1.09457095 +1  113.0154102 +1  120.8620158 +1    10     9    24
  H     1.10055278 +1  111.0074822 +1  121.3796602 +1    10     9    25
  H     1.10564584 +1  108.5098459 +1  113.3116136 +1     2     1    20
  H     1.10834081 +1  110.5939093 +1 -115.9027355 +1     7     2    21