PM7 Accuracy

1-nonanol    869 1-Nonanol

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    #  Species Formula
   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 CyclononanoneC9H16O
   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-Nonanol C9H20O
   870 Amyl-t-butyl etherC9H20O
   871 Butyl 1,1-dimethylpropyl etherC9H20O
   872 4-Phenyl-3-buten-2-oneC10H10O
   873 2-AdamantoneC10H14O
   874 2-Isopropyl-4-methylphenolC10H14O
   875 2-Isopropyl-5-methylphenolC10H14O
   876 2-Isopropyl-6-methylphenolC10H14O
   877 2-Methyl-5-isopropylphenolC10H14O
   878 3-Isopropyl-2-methylphenolC10H14O
   879 3-Methyl-2-isopropylphenolC10H14O


DHf: -89.8 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
1-Nonanol
 H=-89.76 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.52900883  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.53448797  1  110.8962163  1    0.0000000  0     2     1     0
  C     1.53376561  1  110.7536907  1  179.9103094  1     3     2     1
  C     1.53394633  1  110.7109366  1  179.9032017  1     4     3     2
  C     1.53392714  1  110.6459083  1  179.9119753  1     5     4     3
  C     1.53428635  1  110.6853082  1  179.9292915  1     6     5     4
  C     1.53040054  1  110.4871549  1  179.9114493  1     7     6     5
  C     1.53076755  1  110.5283167  1  179.9525470  1     8     7     6
  O     1.42187508  1  104.4885522  1  179.8363409  1     9     8     7
  H     1.09557976  1  111.4485574  1  -59.9953912  1     1     2     3
  H     1.09557562  1  111.4385988  1  120.1360822  1     1     2    11
  H     1.09555213  1  111.2144554  1  119.9229840  1     1     2    12
  H     1.10628313  1  109.9520408  1  121.9619893  1     2     1     3
  H     1.10636401  1  109.9385120  1  116.1426324  1     2     1    14
  H     1.10573940  1  109.9320385  1  121.9710154  1     3     2     4
  H     1.10584414  1  109.9381606  1  116.1079800  1     3     2    16
  H     1.10594678  1  110.0062448  1  121.9189614  1     4     3     5
  H     1.10605184  1  109.9906141  1  116.2469518  1     4     3    18
  H     1.10581239  1  109.9692589  1  121.9129975  1     5     4     6
  H     1.10592513  1  109.9743658  1  116.2269672  1     5     4    20
  H     1.10615924  1  110.0292972  1  121.9220624  1     6     5     7
  H     1.10626854  1  110.0125007  1  116.2476171  1     6     5    22
  H     1.10633476  1  109.8613422  1  121.9067381  1     7     6     8
  H     1.10642861  1  109.8680590  1  116.2376797  1     7     6    24
  H     1.10738303  1  110.9417893  1  121.8001478  1     8     7     9
  H     1.10747965  1  110.9207437  1  116.4789662  1     8     7    26
  H     1.10379000  1  112.1282290  1  117.8054557  1     9     8    10
  H     1.10364870  1  112.1553178  1  124.3553973  1     9     8    28
  H     0.97450613  1  110.4565996  1  179.9154301  1    10     9     8