PM7 Accuracy

5-amino-3,4-dimethylisoxazole   1021 5-Amino-3,4-dimethylisoxazole

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    #  Species Formula
  1011 Benzenamine, N-(phenylmethylene)-, N-oxideC13H11NO
  1012 1-Propanone, 2-(diethylamino)-1-phenyl-C13H19NO
  1013 N,N-Dimethyl-1-adamantylcarboxamideC13H21NO
  1014 4-Isopropylbenzylidene t-butylamine N-oxideC14H21NO
  1015 Nitrous oxide (Geo)N2O
  1016 Nitrous oxideN2O
  1017 UreaCH4N2O
  1018 N-Methyl ureaC2H6N2O
  1019 Dimethyl furazanC4H6N2O
  1020 IsopropylureaC4H10N2O
  1021 5-Amino-3,4-dimethylisoxazole C5H8N2O
  1022 (1-Methylpropyl) ureaC5H12N2O
  1023 N,N-diethylureaC5H12N2O
  1024 TetramethylureaC5H12N2O
  1025 CEB (Torsion angle) (Geo)C13H12N2O
  1026 1D88_B3P (Torsion angle) (Geo)C14H14N2O
  1027 4-Amino-2(1H)-pyrimidinoneC4H5N3O
  1028 2ME_B3P (Torsion angle) (Geo)C22H26N4O
  1029 Oxygen, triplet state (Geo)O2
  1030 Oxygen (Singlet)O2
  1031 Oxygen (Triplet)O2


DHf: 1.2 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-Amino-3,4-dimethylisoxazole
 H=1.24 HR=NIST
  O     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.39192979  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.38254260  1  109.8612841  1    0.0000000  0     2     1     0
  C     1.44999333  1  104.0096832  1   -0.2409252  1     3     2     1
  N     1.33013681  1  109.8718183  1    0.2169151  1     4     3     2
  C     1.47587239  1  126.5650193  1 -179.9783411  1     4     3     5
  C     1.46847952  1  129.6571979  1 -179.4737055  1     3     2     4
  N     1.37080737  1  115.3349219  1 -176.2758422  1     2     1     3
  H     1.10188459  1  111.0885280  1   60.9513638  1     6     4     3
  H     1.10158107  1  111.1838904  1 -119.6174019  1     6     4     9
  H     1.10317808  1  112.0943003  1 -120.2591799  1     6     4    10
  H     1.10263990  1  111.3213927  1  123.4306433  1     7     3     2
  H     1.10178421  1  111.6159851  1  119.5680956  1     7     3    12
  H     1.09850194  1  112.5337842  1  120.7026217  1     7     3    13
  H     1.00346467  1  118.3082600  1  -17.5868254  1     8     2     1
  H     1.00362437  1  117.3483868  1 -145.3841110  1     8     2    15