PM7 Accuracy

5-methyl isoxazole    936 5-Methyl isoxazole

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    #  Species Formula
   926 AcetamideC2H5NO
   927 IsoxazoleC3H3NO
   928 OxaloneC3H3NO
   929 AcrylamineC3H5NO
   930 MethoxyacetonitrileC3H5NO
   931 DimethylformamideC3H7NO
   932 N-Methyl acetamideC3H7NO
   933 PropanamideC3H7NO
   934 DimethylaminomethanolC3H9NO
   935 3-Methyl isoxazoleC4H5NO
   936 5-Methyl isoxazole C4H5NO
   937 2-PyrrolidinoneC4H7NO
   938 4,5-Dihydro-2-methyl oxazoleC4H7NO
   939 MethacrylamideC4H7NO
   940 2-Methyl propanamideC4H9NO
   941 ButanamideC4H9NO
   942 IsobutylamideC4H9NO
   943 N,N-dimethyl acetamideC4H9NO
   944 N,N-Diethyl-hydroxylamineC4H11NO
   945 2-PyridinolC5H5NO
   946 3-PyridinolC5H5NO


DHf: 8.1 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 isoxazole
 H=8.14 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.37172027  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.44676093  1  104.5857304  1    0.0000000  0     1     2     0
  N     1.32575814  1  109.4695724  1    0.0132732  1     3     1     2
  O     1.37593081  1  108.6130218  1    0.0041838  1     4     3     1
  C     1.46334347  1  135.5692399  1 -179.9939368  1     2     1     3
  H     1.07826010  1  126.6836984  1  179.9973294  1     3     1     4
  H     1.06612907  1  129.4255007  1 -179.9932520  1     1     2     3
  H     1.10473419  1  111.8056862  1  119.6803784  1     6     2     1
  H     1.10469636  1  111.8346535  1  119.5285607  1     6     2     9
  H     1.10247387  1  111.9033650  1  120.2722902  1     6     2    10