Accuracy

5-phenyl isoxazole    984 5-Phenyl isoxazole

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    #  Species Formula
   974 alpha-oxo BenzeneacetonitrileC8H5NO
   975 1,3-dimethyl-2-nitroso-benzeneC8H9NO
   976 N-methyl-N-phenyl formamideC8H9NO
   977 Octanone-1-oximeC8H17NO
   978 Octanone-2-oximeC8H17NO
   979 Octanone-3-oximeC8H17NO
   980 Octanone-4-oximeC8H17NO
   981 2(1H)-QuinolinoneC9H7NO
   982 3-Phenyl isoxazoleC9H7NO
   983 4-QuinolinolC9H7NO
   984 5-Phenyl isoxazole C9H7NO
   985 8-QuinolinolC9H7NO
   986 a-CyanoacetophenoneC9H7NO
   987 2,4,6-TrimethylnitrosobenzeneC9H11NO
   988 N,N-Dimethyl benzamideC9H11NO
   989 N,N-Dimethyamino-2,4,6-heptatriene-7-alC9H13NO
   990 2,2,6,6-Tetramethyl-4-piperidinoneC9H17NO
   991 2-Methyl-4-hydroxyquinolineC10H9NO
   992 2-Methyl-8-quinolinolC10H9NO
   993 3-Methyl-5-phenyl isoxazoleC10H9NO
   994 4-Methyl-2-hydroxyquinolineC10H9NO


ΔHf: 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