PM7 Accuracy Date:Mon Feb 11 04:20:05 2019

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


ΔHf: -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