PM7 Accuracy

n-butylamine    491 N-Butylamine

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    #  Species Formula
   481 (E)-2-ButenenitrileC4H5N
   482 (Z)-2-ButenenitrileC4H5N
   483 3-ButenenitrileC4H5N
   484 Pyrrole (Geo)C4H5N
   485 PyrroleC4H5N
   486 ButanenitrileC4H7N
   487 Isobutane nitrileC4H7N
   488 PyrrolidineC4H9N
   489 2-ButylamineC4H11N
   490 2-Methyl-1-propylamineC4H11N
   491 N-Butylamine C4H11N
   492 t-ButylamineC4H11N
   493 Pyridine (Geo)C5H5N
   494 PyridineC5H5N
   495 N-Methyl pyrroleC5H7N
   496 1,2,3,6-TetrahydropyridineC5H9N
   497 2-CyanobutaneC5H9N
   498 Butyl cyanideC5H9N
   499 t-ButylnitrileC5H9N
   500 CyclopentylamineC5H11N
   501 PiperidineC5H11N


DHf: -22.7 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-Butylamine
 H=-22.7 HR=NIST
  N     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.48224041  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.53882104  1  109.0722094  1    0.0000000  0     2     1     0
  C     1.53268578  1  110.4541315  1  175.0726228  1     3     2     1
  C     1.52889340  1  110.6543270  1  179.3938181  1     4     3     2
  H     1.00589942  1  111.8374701  1   57.4600471  1     1     2     3
  H     1.00602462  1  111.6598939  1  122.2593752  1     1     2     6
  H     1.11285496  1  107.4920899  1  119.1563984  1     2     1     3
  H     1.10998240  1  112.8082166  1  117.9623017  1     2     1     8
  H     1.10440559  1  110.4106694  1  122.4739329  1     3     2     4
  H     1.10833759  1  109.3231422  1  115.7910615  1     3     2    10
  H     1.10661264  1  110.0680287  1  121.7130524  1     4     3     5
  H     1.10628311  1  110.2163373  1  116.4821141  1     4     3    12
  H     1.09566320  1  111.4524196  1  -60.5851833  1     5     4     3
  H     1.09601857  1  111.3748244  1  120.0767975  1     5     4    14
  H     1.09557596  1  111.2616106  1  119.9282111  1     5     4    15