PM7 Accuracy

trimethylborane-ammonia adduct    480 Trimethylborane-Ammonia adduct

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    #  Species Formula
   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-PropylamineC3H9N
   478 TrimethylamineC3H9N
   479 Trimethyamine-Borane adductH12BC3N
   480 Trimethylborane-Ammonia adduct H12BC3N
   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


DHf: -54.1 kcal/mol,     REF: M. D. Harmony, V. W. Laurie, R. L. Kuczkowsky, R. H. Schwendeman, D. A. Ramsay, F. J. Lovas, W. J. Lafferty, A. G. Maki, J. Phys. Chem. Ref. Data 8, 3 (1979).
  
 PM7
Trimethylborane-Ammonia adduct
 H=-54.1 HR=HLKS1979
  B     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.65313652  1    0.0000000  0    0.0000000  0     1     0     0
  H     1.09119777  1  108.3380681  1    0.0000000  0     2     1     0
  H     1.08701507  1  110.9243396  1  118.6509455  1     2     1     3
  H     1.08697343  1  110.9050776  1 -118.7493376  1     2     1     3
  C     1.65249374  1  110.4685078  1   63.0242829  1     1     2     3
  H     1.08713354  1  110.9475438  1   54.1239804  1     6     1     2
  H     1.08677537  1  111.0004570  1  122.8526708  1     6     1     7
  H     1.09149478  1  108.2602365  1 -118.4390739  1     6     1     7
  C     1.65243118  1  110.6482533  1 -122.8021959  1     1     2     6
  H     1.09119010  1  108.4122651  1   63.4295327  1    10     1     2
  H     1.08712757  1  110.9091926  1  118.6508669  1    10     1    11
  H     1.08712206  1  110.9246707  1 -118.7756582  1    10     1    11
  N     1.63236281  1  108.2351554  1  118.5539540  1     1     2     6
  H     1.01534651  1  109.7346693  1   59.6866633  1    14     1     2
  H     1.01544482  1  109.6447748  1  -60.2583336  1    14     1     2
  H     1.01530469  1  109.8290007  1  179.7451026  1    14     1     2