PM7 Accuracy

octanone-3-oxime    982 Octanone-3-oxime

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    #  Species Formula
   972 BenzamideC7H7NO
   973 N,N-Dimethylamino-2,4-pentadiene-5-alC7H11NO
   974 2-Methoxy-3,3-dimethylbutanenitrileC7H13NO
   975 N,N-DiethylaminoacetoneC7H15NO
   976 N,N-Dimethyl-tert-butylcarboxamideC7H15NO
   977 alpha-oxo BenzeneacetonitrileC8H5NO
   978 1,3-dimethyl-2-nitroso-benzeneC8H9NO
   979 N-methyl-N-phenyl formamideC8H9NO
   980 Octanone-1-oximeC8H17NO
   981 Octanone-2-oximeC8H17NO
   982 Octanone-3-oxime C8H17NO
   983 Octanone-4-oximeC8H17NO
   984 2(1H)-QuinolinoneC9H7NO
   985 3-Phenyl isoxazoleC9H7NO
   986 4-QuinolinolC9H7NO
   987 5-Phenyl isoxazoleC9H7NO
   988 8-QuinolinolC9H7NO
   989 a-CyanoacetophenoneC9H7NO
   990 2,4,6-TrimethylnitrosobenzeneC9H11NO
   991 N,N-Dimethyl benzamideC9H11NO
   992 N,N-Dimethyamino-2,4,6-heptatriene-7-alC9H13NO


DHf: -41.3 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
Octanone-3-oxime
 H=-41.3 HR=NIST
  H     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.09544254  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.52900390  1  111.5077948  1    0.0000000  0     2     1     0
  C     1.53460960  1  110.8121416  1   59.0982997  1     3     2     1
  C     1.53268409  1  110.6503430  1  179.6139007  1     4     3     2
  C     1.53611711  1  110.5582785  1  179.0238654  1     5     4     3
  C     1.50131622  1  109.6360262  1 -179.0470227  1     6     5     4
  N     1.29311039  1  125.8381361  1  -82.9436604  1     7     6     5
  O     1.38769741  1  113.1643027  1   -0.6815884  1     8     7     6
  H     1.09584896  1  107.4507797  1  122.3973771  1     2     1     3
  H     1.09538546  1  107.4738241  1  115.4020531  1     2     1    10
  H     1.10661014  1  109.9308609  1  121.9233315  1     3     2     4
  H     1.10628264  1  109.9512106  1  116.1480449  1     3     2    12
  H     1.10581659  1  109.9191308  1  122.0857615  1     4     3     5
  H     1.10651104  1  109.8857170  1  116.1452277  1     4     3    14
  H     1.10842138  1  110.1393054  1  121.4220838  1     5     4     6
  H     1.10583481  1  110.2384688  1  116.5302034  1     5     4    16
  H     1.10719678  1  110.3318392  1  122.7909139  1     6     5     7
  H     1.11171662  1  109.7628648  1  115.9970100  1     6     5    18
  C     1.50725604  1  117.5594311  1  179.1480199  1     7     6     8
  H     1.00287890  1  102.1368893  1 -178.5444704  1     9     8     7
  C     1.52828593  1  110.3130789  1   76.1969025  1    20     7     6
  H     1.11227019  1  110.7397746  1  121.8102094  1    20     7    22
  H     1.10922911  1  109.5121288  1  116.0990318  1    20     7    23
  H     1.09794457  1  111.1397700  1   59.2428166  1    22    20     7
  H     1.09576134  1  111.9043900  1 -120.1358390  1    22    20    25
  H     1.09607634  1  111.0962903  1 -120.2814115  1    22    20    26