PM7 Accuracy

octanone-1-oxime    980 Octanone-1-oxime

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    #  Species Formula
   970 BenzoxazoleC7H5NO
   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-oxime C8H17NO
   981 Octanone-2-oximeC8H17NO
   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


DHf: -35.7 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-1-oxime
 H=-35.7 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.52885796  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.53410898  1  110.9729683  1    0.0000000  0     2     1     0
  C     1.53351869  1  110.8374336  1 -179.8970058  1     3     2     1
  C     1.53372624  1  110.7292643  1 -179.9372289  1     4     3     2
  C     1.53377354  1  110.6401808  1 -179.8468907  1     5     4     3
  C     1.53284545  1  110.5081030  1 -179.8890118  1     6     5     4
  C     1.50049298  1  111.2496320  1 -179.9360445  1     7     6     5
  N     1.29096763  1  118.1109316  1  179.7145739  1     8     7     6
  O     1.38777821  1  111.9774687  1  179.9975783  1     9     8     7
  H     1.09563894  1  111.4931192  1  -59.8953353  1     1     2     3
  H     1.09563898  1  111.4830927  1  120.1600661  1     1     2    11
  H     1.09571965  1  111.1951892  1  119.9114366  1     1     2    12
  H     1.10653811  1  109.8843935  1  122.0282575  1     2     1     3
  H     1.10656278  1  109.8728407  1  116.0280863  1     2     1    14
  H     1.10607514  1  109.8622142  1  122.0263286  1     3     2     4
  H     1.10608236  1  109.8744929  1  115.9796597  1     3     2    16
  H     1.10626893  1  109.9239065  1  121.9788330  1     4     3     5
  H     1.10629396  1  109.9114439  1  116.1198250  1     4     3    18
  H     1.10645234  1  109.8906210  1  121.9616172  1     5     4     6
  H     1.10646184  1  109.8999986  1  116.1115535  1     5     4    20
  H     1.10699847  1  109.8633770  1  121.9087443  1     6     5     7
  H     1.10700901  1  109.8551154  1  116.2503732  1     6     5    22
  H     1.11210260  1  110.1882511  1  122.3397565  1     7     6     8
  H     1.11200408  1  110.2206972  1  115.3090512  1     7     6    24
  H     1.09572050  1  117.1910790  1  179.9976597  1     8     7     9
  H     1.00235366  1  102.5368198  1 -179.9642180  1    10     9     8