PM7 Accuracy

n,n-diethylaminoacetone    975 N,N-Diethylaminoacetone

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    #  Species Formula
   965 Trimethyl isoxazoleC6H9NO
   966 CaprolactamC6H11NO
   967 Cyclohexanone oximeC6H11NO
   968 N,N-Diethyl acetamideC6H13NO
   969 N,N-DimethylbutyramineC6H13NO
   970 BenzoxazoleC7H5NO
   971 IsocyanatobenzeneC7H5NO
   972 BenzamideC7H7NO
   973 N,N-Dimethylamino-2,4-pentadiene-5-alC7H11NO
   974 2-Methoxy-3,3-dimethylbutanenitrileC7H13NO
   975 N,N-Diethylaminoacetone C7H15NO
   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-oximeC8H17NO
   984 2(1H)-QuinolinoneC9H7NO
   985 3-Phenyl isoxazoleC9H7NO


DHf: -55.8 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
N,N-Diethylaminoacetone
 H=-55.76 HR=NIST
  C     0.93662580  1   0.44583818  1  -0.34424747  1
  C     1.22912179  1  -0.78997260  1  -1.12904618  1
  O     1.03452971  1  -0.86488877  1  -2.31720290  1
  C     1.74788489  1  -2.02061444  1  -0.38050015  1
  N     2.73964093  1  -1.58286215  1   0.62304846  1
  C     2.60672535  1  -2.33614839  1   1.89684325  1
  C     3.13227041  1  -1.46540512  1   3.04685042  1
  C     4.12540941  1  -1.66124981  1   0.09431925  1
  C     4.34140296  1  -0.60101571  1  -0.99079093  1
  H     1.79707089  1   0.71383400  1   0.29452501  1
  H     0.08445065  1   0.29591652  1   0.33099068  1
  H     0.71081229  1   1.29961059  1  -0.99662044  1
  H     0.87244166  1  -2.51678452  1   0.09315838  1
  H     2.15358901  1  -2.75466109  1  -1.11204611  1
  H     1.53285177  1  -2.56154881  1   2.07966951  1
  H     3.13731802  1  -3.31131020  1   1.87565293  1
  H     4.22540550  1  -1.42972491  1   3.07025507  1
  H     2.77739808  1  -0.43112858  1   2.94088626  1
  H     2.78663948  1  -1.84198471  1   4.01366480  1
  H     4.82483243  1  -1.46535501  1   0.93830578  1
  H     4.37302448  1  -2.67004650  1  -0.30118023  1
  H     3.74029747  1  -0.80143695  1  -1.88668559  1
  H     4.06156993  1   0.39555370  1  -0.62753384  1
  H     5.39128190  1  -0.56338628  1  -1.29842540  1