PM7 Accuracy

3-methyl-5-phenyl isoxazole    996 3-Methyl-5-phenyl isoxazole

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    #  Species Formula
   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-hydroxyquinolineC10H9NO
   995 2-Methyl-8-quinolinolC10H9NO
   996 3-Methyl-5-phenyl isoxazole C10H9NO
   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
  1005 2-Propanamine, 2-methyl-N-(phenylmethylene)-, N-oxideC11H15NO
  1006 1-AdamantanecarboxamideC11H17NO


DHf: 24.5 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
3-Methyl-5-phenyl isoxazole
 H=24.5 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.37319439  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.44967165  1  104.8130919  1    0.0000000  0     2     1     0
  N     1.33147836  1  109.0914841  1    0.0232497  1     3     2     1
  O     1.38786117  1  109.0597469  1   -0.0094418  1     1     2     3
  C     1.44215940  1  134.9673166  1 -179.9393009  1     1     2     5
  C     1.40020916  1  120.4395044  1 -179.4187196  1     6     1     2
  C     1.39194299  1  119.9141469  1 -179.9713713  1     7     6     1
  C     1.39428599  1  120.1328864  1   -0.0062901  1     8     7     6
  C     1.39407414  1  120.0569865  1   -0.0040852  1     9     8     7
  C     1.39197450  1  120.1209504  1    0.0078286  1    10     9     8
  C     1.47456321  1  126.6555740  1 -179.9590970  1     3     2     4
  H     1.06592119  1  129.5821719  1 -179.9848977  1     2     1     3
  H     1.09082055  1  120.2378061  1 -179.9938888  1     7     6     8
  H     1.08905878  1  119.8766557  1  179.9988283  1     8     7     9
  H     1.08867010  1  119.9774514  1  179.9963176  1     9     8    10
  H     1.08865446  1  120.0140535  1 -179.9996199  1    10     9    11
  H     1.08925327  1  120.0596923  1  179.9927203  1    11    10     9
  H     1.10189185  1  111.3618726  1  -59.1905755  1    12     3     2
  H     1.10198726  1  111.3238585  1  119.8799380  1    12     3    19
  H     1.10348244  1  112.1695713  1  120.0337223  1    12     3    20