PM7 Accuracy

n-propylamine    477 n-Propylamine

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    #  Species Formula
   467 Dimethylamine (Geo)C2H7N
   468 N,N-Dimethylamine diboraneC2H11B2N
   469 CH.C.CNHC3N
   470 CH.C.CN (Geo)HC3N
   471 AcrylonitrileC3H3N
   472 Acrylonitrile (Geo)C3H3N
   473 Ethyl cyanideC3H5N
   474 CyclopropylamineC3H7N
   475 IsopropylamineC3H9N
   476 Trimethylamine (Geo)C3H9N
   477 n-Propylamine C3H9N
   478 TrimethylamineC3H9N
   479 Trimethyamine-Borane adductH12BC3N
   480 Trimethylborane-Ammonia adductH12BC3N
   481 (E)-2-ButenenitrileC4H5N
   482 (Z)-2-ButenenitrileC4H5N
   483 3-ButenenitrileC4H5N
   484 Pyrrole (Geo)C4H5N
   485 PyrroleC4H5N
   486 ButanenitrileC4H7N
   487 Isobutane nitrileC4H7N


DHf: -16.8 kcal/mol,     REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
  
 GEO-OK PM7
n-Propylamine
 H=-16.8 HR=C&P1970
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.52662937  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.54256694  1  110.4259028  1    0.0000000  0     2     1     0
  H     1.09619718  1  111.5584849  1   60.2170861  1     1     2     3
  H     1.09631097  1  111.2680398  1 -179.9313492  1     1     2     3
  H     1.09621116  1  111.5671237  1  -60.0700895  1     1     2     3
  H     1.10539690  1  110.0610152  1  121.7601397  1     2     1     3
  H     1.10539442  1  110.0503744  1 -121.7440329  1     2     1     3
  H     1.11207140  1  110.2778065  1  -58.4937514  1     3     2     1
  H     1.11205120  1  110.2881310  1   58.5651295  1     3     2     1
  N     1.47491768  1  113.7050137  1 -179.9752551  1     3     2     1
  H     1.00603068  1  111.9724912  1   61.2723359  1    11     3     2
  H     1.00604419  1  111.9802948  1  -61.1444150  1    11     3     2