Accuracy

cyclohexanone oxime    964 Cyclohexanone oxime

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    #  Species Formula
   954 2-Methyl-3-pyridinolC6H7NO
   955 3-Hydroxy-2-methylpyridineC6H7NO
   956 3-Hydroxy-6-methylpyridineC6H7NO
   957 4-Hydroxy-2-methylpyridineC6H7NO
   958 6-Methyl-2(1H)-pyridinoneC6H7NO
   959 m-Amino phenolC6H7NO
   960 o-Amino phenolC6H7NO
   961 p-Amino phenolC6H7NO
   962 Trimethyl isoxazoleC6H9NO
   963 CaprolactamC6H11NO
   964 Cyclohexanone oxime C6H11NO
   965 N,N-Diethyl acetamideC6H13NO
   966 N,N-DimethylbutyramineC6H13NO
   967 BenzoxazoleC7H5NO
   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


ΔHf: -17.9 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
Cyclohexanone oxime
 H=-17.9 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.50156994 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.53487671 +1  110.5004703 +1    0.0000000 +0     2     1     0
  C     1.53332570 +1  110.9039055 +1  -52.8959950 +1     3     2     1
  C     1.53340139 +1  110.2472710 +1   58.3813284 +1     4     3     2
  C     1.50671263 +1  116.5279715 +1   51.0042967 +1     1     2     3
  N     1.29208671 +1  126.8002327 +1  178.9994741 +1     1     2     6
  O     1.38806366 +1  113.4805460 +1    0.1424882 +1     7     1     2
  H     1.10958556 +1  109.1947043 +1 -121.5761286 +1     2     1     3
  H     1.11006393 +1  111.1859223 +1 -116.1127072 +1     2     1     9
  H     1.10552518 +1  109.8921369 +1 -122.2876857 +1     3     2     4
  H     1.10750049 +1  109.6298506 +1 -116.1165626 +1     3     2    11
  H     1.10562535 +1  110.0965860 +1  121.6950121 +1     4     3     5
  H     1.10585870 +1  110.1409501 +1  116.5430814 +1     4     3    13
  H     1.10531898 +1  110.3989822 +1  178.9034871 +1     5     4     3
  H     1.10748608 +1  110.0092062 +1 -116.5477513 +1     5     4    15
  H     1.11048497 +1  111.2518022 +1 -173.9908496 +1     6     1     2
  H     1.10940080 +1  109.0733618 +1 -116.2594259 +1     6     1    17
  H     1.00311891 +1  102.0591395 +1  179.2891097 +1     8     7     1