Accuracy

3-phenyl isoxazole    982 3-Phenyl isoxazole

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    #  Species Formula
   972 N,N-DiethylaminoacetoneC7H15NO
   973 N,N-Dimethyl-tert-butylcarboxamideC7H15NO
   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 isoxazole C9H7NO
   983 4-QuinolinolC9H7NO
   984 5-Phenyl isoxazoleC9H7NO
   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


ΔHf: 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