PM7 Accuracy

4-quinolinol    986 4-Quinolinol

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    #  Species Formula
   976 N,N-Dimethyl-tert-butylcarboxamideC7H15NO
   977 alpha-oxo BenzeneacetonitrileC8H5NO
   978 1,3-dimethyl-2-nitroso-benzeneC8H9NO
   979 N-methyl-N-phenyl formamideC8H9NO
   980 Octanone-1-oximeC8H17NO
   981 Octanone-2-oximeC8H17NO
   982 Octanone-3-oximeC8H17NO
   983 Octanone-4-oximeC8H17NO
   984 2(1H)-QuinolinoneC9H7NO
   985 3-Phenyl isoxazoleC9H7NO
   986 4-Quinolinol C9H7NO
   987 5-Phenyl isoxazoleC9H7NO
   988 8-QuinolinolC9H7NO
   989 a-CyanoacetophenoneC9H7NO
   990 2,4,6-TrimethylnitrosobenzeneC9H11NO
   991 N,N-Dimethyl benzamideC9H11NO
   992 N,N-Dimethyamino-2,4,6-heptatriene-7-alC9H13NO
   993 2,2,6,6-Tetramethyl-4-piperidinoneC9H17NO
   994 2-Methyl-4-hydroxyquinolineC10H9NO
   995 2-Methyl-8-quinolinolC10H9NO
   996 3-Methyl-5-phenyl isoxazoleC10H9NO


DHf: 5.0 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
4-Quinolinol
 H=4.97 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.37168223  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.41722935  1  120.8916569  1    0.0000000  0     2     1     0
  C     1.37305565  1  120.4819962  1   -0.0065500  1     3     2     1
  C     1.41470202  1  119.8563313  1   -0.0048415  1     4     3     2
  C     1.41836952  1  119.8341168  1   -0.0107613  1     5     4     3
  N     1.37908039  1  122.1608131  1  179.9891578  1     6     5     4
  C     1.32108704  1  119.0072657  1    0.0185752  1     7     6     5
  C     1.42365560  1  123.6339751  1    0.0344871  1     8     7     6
  C     1.37596099  1  117.3175258  1    0.0099860  1     9     8     7
  H     1.09052942  1  122.1290392  1  179.9825866  1     1     2     3
  H     1.09046063  1  120.4344147  1 -179.9848103  1     2     1     3
  H     1.08852175  1  118.8655963  1  179.9971040  1     3     2     4
  H     1.09165812  1  121.4209175  1  179.9989093  1     4     3     5
  H     1.09878931  1  116.4199563  1 -179.9963178  1     8     7     9
  H     1.08095153  1  119.8290987  1  179.9964693  1     9     8    10
  O     1.35034591  1  123.6889081  1  179.9932878  1    10     9     8
  H     0.99215490  1  112.3093596  1    0.0041571  1    17    10     9