PM7 Accuracy

3-phenyl isoxazole    985 3-Phenyl isoxazole

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    #  Species Formula
   975 N,N-DiethylaminoacetoneC7H15NO
   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 isoxazole C9H7NO
   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


DHf: 33.3 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
3-Phenyl isoxazole
 H=33.3 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.36646945  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.45594804  1  104.6786416  1    0.0000000  0     2     1     0
  N     1.33571510  1  108.5290839  1    0.0144919  1     3     2     1
  O     1.37732377  1  109.6370610  1    0.0171744  1     1     2     3
  C     1.45442775  1  127.5011471  1  179.9795840  1     3     2     4
  C     1.39919925  1  120.3469044  1   -0.1254507  1     6     3     2
  C     1.39228512  1  120.0394323  1 -179.9977024  1     7     6     3
  C     1.39419280  1  120.1625234  1    0.0064990  1     8     7     6
  C     1.39384103  1  119.9725904  1   -0.0040495  1     9     8     7
  C     1.39193208  1  120.0985117  1   -0.0008867  1    10     9     8
  H     1.06625796  1  135.4303782  1  179.9982686  1     1     2     5
  H     1.06729185  1  129.5359523  1  179.9991733  1     2     1     3
  H     1.08854489  1  120.2712631  1  179.9890908  1     7     6     8
  H     1.08849199  1  119.8227826  1 -179.9981203  1     8     7     9
  H     1.08847341  1  119.9960625  1 -179.9954756  1     9     8    10
  H     1.08875133  1  120.0765709  1  179.9973887  1    10     9    11
  H     1.09269895  1  120.1537873  1  179.9981921  1    11    10     9