Accuracy

5-methyl-3-phenyl isoxazole    995 5-Methyl-3-phenyl isoxazole

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    #  Species Formula
   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
   995 5-Methyl-3-phenyl isoxazole C10H9NO
   996 beta-CyanopropiophenoneC10H9NO
   997 2,4,6-Trimethylbenzonitrile, N-oxideC10H11NO
   998 2-(Dimethylamino)-acetophenoneC10H13NO
   999 N,N,4-Trimethyl benzamideC10H13NO
  1000 (E)-3-(Methylamino)-1-phenyl-but-2-enoneC11H13NO
  1001 1-Propanone, 2-(dimethylamino)-1-phenyl-C11H15NO
  1002 2-Propanamine, 2-methyl-N-(phenylmethylene)-, N-oxideC11H15NO
  1003 1-AdamantanecarboxamideC11H17NO
  1004 N,N-DimethylnonamideC11H23NO
  1005 PhenoxazineC12H9NO


ΔHf: 23.6 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-Methyl-3-phenyl isoxazole
 H=23.6 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.45261570 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.36947571 +1  104.8950112 +1    0.0000000 +0     2     1     0
  O     1.38527834 +1  109.2796756 +1   -0.0002223 +1     3     2     1
  N     1.33595529 +1  108.7059506 +1    0.0005544 +1     1     2     3
  C     1.45496721 +1  127.5134233 +1 -179.9660153 +1     1     2     5
  C     1.40041070 +1  120.0423607 +1  179.6722873 +1     6     1     2
  C     1.39197026 +1  120.0926121 +1 -179.9743772 +1     7     6     1
  C     1.39377213 +1  120.1111619 +1   -0.0008547 +1     8     7     6
  C     1.39407721 +1  119.9653338 +1   -0.0121101 +1     9     8     7
  C     1.39228141 +1  120.1640562 +1    0.0148487 +1    10     9     8
  C     1.46318677 +1  135.4891571 +1 -179.9727730 +1     3     2     4
  H     1.06589521 +1  125.8618808 +1  179.9760951 +1     2     1     3
  H     1.09268468 +1  119.7438367 +1 -179.9962234 +1     7     6     8
  H     1.08855976 +1  119.8222099 +1  179.9931028 +1     8     7     9
  H     1.08819197 +1  120.0468836 +1 -179.9969722 +1     9     8    10
  H     1.08824829 +1  119.9926689 +1 -179.9975180 +1    10     9    11
  H     1.08855547 +1  119.7338968 +1 -179.9847818 +1    11    10     9
  H     1.10244188 +1  111.9717517 +1   -1.9125258 +1    12     3     2
  H     1.10466021 +1  111.8138474 +1  120.1725361 +1    12     3    19
  H     1.10457723 +1  111.8905429 +1  119.5863884 +1    12     3    20