PM7 Accuracy

octanone-2-oxime    981 Octanone-2-oxime

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    #  Species Formula
   971 IsocyanatobenzeneC7H5NO
   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-oxime C8H17NO
   982 Octanone-3-oximeC8H17NO
   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


DHf: -43.2 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
Octanone-2-oxime
 H=-43.2 HR=NIST
  H     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.09573936  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.52888081  1  111.4909604  1    0.0000000  0     2     1     0
  C     1.53383113  1  110.9090706  1   59.0545774  1     3     2     1
  C     1.53398129  1  110.9719414  1  179.4720934  1     4     3     2
  C     1.53220441  1  110.4311521  1  179.2554901  1     5     4     3
  C     1.53417926  1  110.7517969  1  179.5583850  1     6     5     4
  C     1.50695343  1  113.8082516  1  179.5421774  1     7     6     5
  N     1.29258379  1  118.5329263  1   -0.5706300  1     8     7     6
  O     1.38819904  1  113.4093238  1 -179.9406043  1     9     8     7
  H     1.09577193  1  107.4113183  1  122.4052842  1     2     1     3
  H     1.09542296  1  107.4754579  1  115.3771983  1     2     1    11
  H     1.10634500  1  109.8738247  1  122.0430623  1     3     2     4
  H     1.10638309  1  109.8828775  1  116.0125881  1     3     2    13
  H     1.10640231  1  109.8954781  1  122.0618365  1     4     3     5
  H     1.10638083  1  109.9159606  1  115.9550455  1     4     3    15
  H     1.10595105  1  109.8854591  1  121.9371653  1     5     4     6
  H     1.10601259  1  109.9001057  1  116.2432045  1     5     4    17
  H     1.10808201  1  110.3490001  1  122.1346672  1     6     5     7
  H     1.10785952  1  110.4011115  1  115.7731826  1     6     5    19
  H     1.11115360  1  109.5204204  1  122.1773413  1     7     6     8
  H     1.11118045  1  109.5358259  1  115.7601849  1     7     6    21
  C     1.49586419  1  115.3319035  1 -179.9476421  1     8     7     9
  H     1.00268705  1  101.9849685  1  179.9722854  1    10     9     8
  H     1.09876949  1  111.4689098  1  -59.9230940  1    23     8     7
  H     1.09883147  1  111.4297825  1  120.4722503  1    23     8    25
  H     1.10206093  1  112.2382159  1  119.7098500  1    23     8    26