PM7 Accuracy

5-phenyl isoxazole    987 5-Phenyl isoxazole

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    #  Species Formula
   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-QuinolinolC9H7NO
   987 5-Phenyl isoxazole C9H7NO
   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
   997 4-Methyl-2-hydroxyquinolineC10H9NO


DHf: 38.3 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
5-Phenyl isoxazole
 H=38.3 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.37435432  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.44557394  1  104.6497846  1    0.0000000  0     2     1     0
  N     1.32642024  1  109.3583594  1   -0.0308840  1     3     2     1
  O     1.37137839  1  108.8477014  1   -0.0410498  1     4     3     2
  C     1.44190633  1  135.0489084  1 -179.4662828  1     1     2     3
  C     1.39973442  1  120.2683528  1  158.5012354  1     6     1     2
  C     1.39201230  1  119.8457449  1 -179.7370285  1     7     6     1
  C     1.39434048  1  120.1026848  1    0.0104872  1     8     7     6
  C     1.39432939  1  120.1087399  1   -0.0740885  1     9     8     7
  C     1.39201261  1  120.1066396  1    0.0858264  1    10     9     8
  H     1.07795967  1  126.8739838  1  179.9476847  1     3     2     4
  H     1.06685573  1  129.3720388  1  179.5193969  1     2     1     3
  H     1.09065334  1  120.1600390  1  179.7930718  1     7     6     8
  H     1.08916783  1  119.8878880  1  179.9651092  1     8     7     9
  H     1.08888891  1  119.9472936  1 -179.9456267  1     9     8    10
  H     1.08881235  1  120.0229137  1 -179.9873524  1    10     9    11
  H     1.08938088  1  120.1588301  1 -179.7841021  1    11    10     9