PM7 Accuracy

di-n-propylamine    514 Di-n-propylamine

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    #  Species Formula
   504 2-CyclopentenecarbonitrileC6H7N
   505 2-Methyl pyridineC6H7N
   506 3-Methyl pyridineC6H7N
   507 4-Methyl pyridineC6H7N
   508 AnilineC6H7N
   509 2,5-Dimethyl-1H-pyrroleC6H9N
   510 CyclopentanecarbonitrileC6H9N
   511 2-MethylpiperidineC6H13N
   512 CyclohexamethylenimineC6H13N
   513 CyclohexanamineC6H13N
   514 Di-n-propylamine C6H15N
   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-MethylanilineC7H9N


DHf: -27.8 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
Di-n-propylamine
 H=-27.84 HR=NIST
  N     0.00099046  1   0.01366208  1   0.10698083  1
  C    -1.30852013  1   0.70274796  1   0.18176635  1
  C    -2.42728359  1  -0.35448701  1   0.16650796  1
  C    -3.79839273  1   0.31548025  1   0.13214042  1
  C     1.12558995  1   0.97620001  1   0.17907523  1
  C     2.45077240  1   0.19271856  1   0.16818607  1
  C     3.63922115  1   1.15000913  1   0.13362735  1
  H     0.08110530  1  -0.69102725  1   0.83731164  1
  H    -1.40446059  1   1.35207782  1   1.07707866  1
  H    -1.39820143  1   1.36184147  1  -0.70978107  1
  H    -2.29651358  1  -1.01352201  1  -0.71547693  1
  H    -2.34447323  1  -1.01399539  1   1.04969843  1
  H    -3.95467340  1   0.96344849  1   1.00172632  1
  H    -3.92259680  1   0.93052481  1  -0.76651995  1
  H    -4.60156142  1  -0.43062553  1   0.13030650  1
  H     1.06755108  1   1.63499507  1  -0.71554573  1
  H     1.07415747  1   1.63417084  1   1.07195257  1
  H     2.51437451  1  -0.46632580  1   1.05306701  1
  H     2.47085026  1  -0.48102044  1  -0.71211540  1
  H     3.62435515  1   1.77644242  1  -0.76597092  1
  H     3.64705213  1   1.81739786  1   1.00246283  1
  H     4.58784951  1   0.60051647  1   0.13284982  1