PM7 Accuracy

2-methyl-4-hydroxyquinoline    994 2-Methyl-4-hydroxyquinoline

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    #  Species Formula
   984 2(1H)-QuinolinoneC9H7NO
   985 3-Phenyl isoxazoleC9H7NO
   986 4-QuinolinolC9H7NO
   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-hydroxyquinoline C10H9NO
   995 2-Methyl-8-quinolinolC10H9NO
   996 3-Methyl-5-phenyl isoxazoleC10H9NO
   997 4-Methyl-2-hydroxyquinolineC10H9NO
   998 5-Methyl-3-phenyl isoxazoleC10H9NO
   999 beta-CyanopropiophenoneC10H9NO
  1000 2,4,6-Trimethylbenzonitrile, N-oxideC10H11NO
  1001 2-(Dimethylamino)-acetophenoneC10H13NO
  1002 N,N,4-Trimethyl benzamideC10H13NO
  1003 (E)-3-(Methylamino)-1-phenyl-but-2-enoneC11H13NO
  1004 1-Propanone, 2-(dimethylamino)-1-phenyl-C11H15NO


DHf: -5.6 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-Methyl-4-hydroxyquinoline
 H=-5.6 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.37291332  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.41731813  1  120.3810601  1    0.0000000  0     2     1     0
  C     1.37136425  1  120.9752768  1   -0.0107289  1     3     2     1
  C     1.42417178  1  119.6733119  1   -0.0087130  1     4     3     2
  C     1.41850001  1  119.1779097  1    0.0035976  1     5     4     3
  C     1.42703459  1  116.3077035  1 -179.9952092  1     6     5     4
  C     1.37492178  1  121.5877838  1   -0.0029674  1     7     6     5
  C     1.42749912  1  117.5285181  1   -0.0139107  1     8     7     6
  N     1.32624207  1  123.0515573  1    0.0040604  1     9     8     7
  C     1.49328587  1  119.5250717  1  179.9789282  1     9     8    10
  O     1.35043206  1  114.8718540  1  179.9951944  1     7     6     8
  H     1.09159224  1  121.4145229  1 -179.9902679  1     1     2     3
  H     1.08785914  1  120.7294421  1  179.9937092  1     2     1     3
  H     1.09040099  1  118.6301401  1  179.9999559  1     3     2     4
  H     1.09013953  1  122.1812647  1 -179.9942086  1     4     3     5
  H     1.08067721  1  122.7288921  1 -179.9949907  1     8     7     9
  H     1.09927508  1  111.2465725  1  -59.8076969  1    11     9     8
  H     1.09936068  1  111.2263603  1  120.4211211  1    11     9    18
  H     1.10393433  1  111.7258519  1  119.7709736  1    11     9    19
  H     0.99190968  1  112.3172265  1 -179.9956046  1    12     7     6