Accuracy

octanone-2-oxime    978 Octanone-2-oxime

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    #  Species Formula
   968 IsocyanatobenzeneC7H5NO
   969 BenzamideC7H7NO
   970 N,N-Dimethylamino-2,4-pentadiene-5-alC7H11NO
   971 2-Methoxy-3,3-dimethylbutanenitrileC7H13NO
   972 N,N-DiethylaminoacetoneC7H15NO
   973 N,N-Dimethyl-tert-butylcarboxamideC7H15NO
   974 alpha-oxo BenzeneacetonitrileC8H5NO
   975 1,3-dimethyl-2-nitroso-benzeneC8H9NO
   976 N-methyl-N-phenyl formamideC8H9NO
   977 Octanone-1-oximeC8H17NO
   978 Octanone-2-oxime C8H17NO
   979 Octanone-3-oximeC8H17NO
   980 Octanone-4-oximeC8H17NO
   981 2(1H)-QuinolinoneC9H7NO
   982 3-Phenyl isoxazoleC9H7NO
   983 4-QuinolinolC9H7NO
   984 5-Phenyl isoxazoleC9H7NO
   985 8-QuinolinolC9H7NO
   986 a-CyanoacetophenoneC9H7NO
   987 2,4,6-TrimethylnitrosobenzeneC9H11NO
   988 N,N-Dimethyl benzamideC9H11NO


ΔHf: -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