PM7 Accuracy

3-methyl isoxazole    935 3-Methyl isoxazole

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    #  Species Formula
   925 AcetaldoximeC2H5NO
   926 AcetamideC2H5NO
   927 IsoxazoleC3H3NO
   928 OxaloneC3H3NO
   929 AcrylamineC3H5NO
   930 MethoxyacetonitrileC3H5NO
   931 DimethylformamideC3H7NO
   932 N-Methyl acetamideC3H7NO
   933 PropanamideC3H7NO
   934 DimethylaminomethanolC3H9NO
   935 3-Methyl isoxazole C4H5NO
   936 5-Methyl isoxazoleC4H5NO
   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


DHf: 8.5 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-Methyl isoxazole
 H=8.52 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.36682035  1    0.0000000  0    0.0000000  0     1     0     0
  O     1.37707931  1  109.6430535  1    0.0000000  0     2     1     0
  N     1.37618314  1  108.2778689  1   -0.0047829  1     3     2     1
  C     1.33068413  1  108.5512336  1   -0.0114391  1     4     3     2
  C     1.47412441  1  124.4092838  1 -179.9989051  1     5     4     3
  H     1.06643545  1  129.9661798  1 -179.9986204  1     1     2     3
  H     1.06636820  1  135.5435864  1 -179.9999961  1     2     1     3
  H     1.10216719  1  111.3804155  1  120.3033283  1     6     5     4
  H     1.10218976  1  111.3882011  1  119.8589712  1     6     5     9
  H     1.10386067  1  112.1842175  1  120.0726922  1     6     5    10