PM7 Accuracy

octanone-4-oxime    983 Octanone-4-oxime

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    #  Species Formula
   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-oximeC8H17NO
   983 Octanone-4-oxime C8H17NO
   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
   993 2,2,6,6-Tetramethyl-4-piperidinoneC9H17NO


DHf: -43.3 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-4-oxime
 H=-43.3 HR=NIST
  H     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.09597903  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.52883722  1  111.4732868  1    0.0000000  0     2     1     0
  C     1.53506332  1  110.6101354  1   59.1513598  1     3     2     1
  C     1.53207016  1  110.4860198  1  179.9566133  1     4     3     2
  C     1.50361820  1  115.3038455  1 -178.1662184  1     5     4     3
  N     1.28986689  1  130.6399400  1   -4.4870841  1     6     5     4
  O     1.38403737  1  115.5133627  1    0.2146704  1     7     6     5
  H     1.09603519  1  107.3374233  1  122.2670615  1     2     1     3
  H     1.09527689  1  107.5438622  1  115.4833070  1     2     1     9
  H     1.10620591  1  109.8607313  1  121.9736004  1     3     2     4
  H     1.10631913  1  109.8650962  1  116.1985459  1     3     2    11
  H     1.10775878  1  109.7124112  1  121.9164179  1     4     3     5
  H     1.10735913  1  109.9636964  1  116.0604027  1     4     3    13
  H     1.11234802  1  108.9549429  1  122.7824948  1     5     4     6
  H     1.11269178  1  109.0123661  1  114.7552804  1     5     4    15
  C     1.51526328  1  112.8529391  1 -179.8547074  1     6     5     7
  H     1.00403625  1  101.9364763  1 -179.8234953  1     8     7     6
  C     1.53478714  1  114.2012870  1  178.2446374  1    17     6     5
  H     1.11054203  1  108.7036276  1  122.4380830  1    17     6    19
  H     1.11042121  1  108.7664772  1  115.0884499  1    17     6    20
  C     1.52724242  1  110.6803248  1 -179.7958329  1    19    17     6
  H     1.10809882  1  109.9682373  1 -122.3505812  1    19    17    22
  H     1.10792596  1  109.9901492  1 -115.3273458  1    19    17    23
  H     1.09536207  1  111.6409829  1   60.2957887  1    22    19    17
  H     1.09539129  1  111.6338491  1 -120.6383093  1    22    19    25
  H     1.09630399  1  110.9458617  1 -119.6695416  1    22    19    26