PM7 Accuracy

n,n-dimethylamino-2,4-pentadiene-5-al    973 N,N-Dimethylamino-2,4-pentadiene-5-al

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    #  Species Formula
   963 o-Amino phenolC6H7NO
   964 p-Amino phenolC6H7NO
   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-al C7H11NO
   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-oximeC8H17NO


DHf: -6.9 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
N,N-Dimethylamino-2,4-pentadiene-5-al
 H=-6.95 HR=NIST
  C     0.01115857  1   0.01240374  1   0.18971167  1
  N     1.43672538  1   0.02741036  1  -0.15791685  1
  C     2.14044898  1   1.24914344  1   0.25836120  1
  C     2.15060458  1  -1.15536360  1  -0.08230463  1
  C     1.59790414  1  -2.39426397  1   0.00180283  1
  C     2.40206184  1  -3.58479541  1  -0.10369012  1
  C     1.88330310  1  -4.82451832  1  -0.02797230  1
  C     2.72216426  1  -6.02158011  1  -0.13269969  1
  O     2.26051392  1  -7.13929279  1  -0.06964321  1
  H    -0.17186033  1  -0.23809211  1   1.24790667  1
  H    -0.51162030  1  -0.73073494  1  -0.44257260  1
  H    -0.44354257  1   0.99437412  1  -0.02409202  1
  H     3.15206808  1   1.27774072  1  -0.18204714  1
  H     2.23273643  1   1.34126843  1   1.35330222  1
  H     1.59826260  1   2.13389481  1  -0.12092466  1
  H     3.23903948  1  -1.03381993  1  -0.19574186  1
  H     0.53143472  1  -2.54019991  1   0.14580299  1
  H     3.47730278  1  -3.43715367  1  -0.25095198  1
  H     0.81985999  1  -5.00663231  1   0.11352975  1
  H     3.80466338  1  -5.88740806  1  -0.27265784  1