PM7 Accuracy

n-methylaniline    524 N-Methylaniline

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    #  Species Formula
   514 Di-n-propylamineC6H15N
   515 DiiospropylamineC6H15N
   516 TriethylamineC6H15N
   517 Trimethylborane-TrimethylamineH18BC6N
   518 Phenyl cyanideC7H5N
   519 1-CyclohexenecarbonitrileC7H9N
   520 2,6-DimethylpyridineC7H9N
   521 2-CyclohexenecarbonitrileC7H9N
   522 BenzylamineC7H9N
   523 m-ToluidineC7H9N
   524 N-Methylaniline C7H9N
   525 o-ToluidineC7H9N
   526 p-ToluidineC7H9N
   527 CyanocyclohexaneC7H11N
   528 CyclohexanecarbonitrileC7H11N
   529 Hexahydro-1H-pyrrolizineC7H13N
   530 n-HeptanenitrileC7H13N
   531 IsopropylbutylamineC7H17N
   532 1-NorbornylcyanideC8H11N
   533 1-NorbornylisocyanideC8H11N
   534 5-Ethyl-2-methyl-pyridineC8H11N


DHf: 20.1 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-Methylaniline
 H=20.1 HR=NIST
  C     0.00128181  1  -0.05578098  1   0.02876038  1
  N    -1.43824826  1   0.15858199  1  -0.16274216  1
  C    -2.10066105  1  -0.57997383  1  -1.15031243  1
  C    -1.42077145  1  -1.13789606  1  -2.24751251  1
  C    -2.14235596  1  -1.76130602  1  -3.25931402  1
  C    -3.53107083  1  -1.85136776  1  -3.19391786  1
  C    -4.20530284  1  -1.30948663  1  -2.09941383  1
  C    -3.50648930  1  -0.68049942  1  -1.07828017  1
  H     0.25861003  1  -1.10778615  1   0.23724409  1
  H     0.55164524  1   0.26567260  1  -0.87452141  1
  H     0.35668999  1   0.56771358  1   0.86607796  1
  H    -1.94675637  1   0.29963412  1   0.70114899  1
  H    -0.34047715  1  -1.07824716  1  -2.31762904  1
  H    -1.61165294  1  -2.18395756  1  -4.11235149  1
  H    -4.08491991  1  -2.33927581  1  -3.98933948  1
  H    -5.29145894  1  -1.38209745  1  -2.04408207  1
  H    -4.04158546  1  -0.25993321  1  -0.23349999  1