PM7 Accuracy

trimethyamine-borane adduct    479 Trimethyamine-Borane adduct

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    #  Species Formula
   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-PropylamineC3H9N
   478 TrimethylamineC3H9N
   479 Trimethyamine-Borane adduct H12BC3N
   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
   488 PyrrolidineC4H9N
   489 2-ButylamineC4H11N


DHf: -20.3 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).
Dipole: 4.8 Debye,     REF: P. Cassoux, R. L. Kuczkowski, P. S. Bryan, R. C. Taylor, Inorg. Chem., 14, 126 (1975).
  
 NOINTER NOXYZ PM7
Trimethyamine-Borane adduct
 H=-20.3 HR=HLKS1979 D=4.84 DR=CKBT1975
  N     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.49613164  1    0.0000000  0    0.0000000  0     1     0     0
  H     1.10043160  1  112.3098356  1    0.0000000  0     2     1     0
  H     1.10529625  1  110.4885214  1  120.8911830  1     2     1     3
  H     1.10504246  1  110.5141203  1 -121.0499422  1     2     1     3
  C     1.49640805  1  108.9148405  1   59.9172834  1     1     2     3
  H     1.10513261  1  110.5283438  1   61.4332870  1     6     1     2
  H     1.10533921  1  110.4589373  1  118.1466885  1     6     1     7
  H     1.10045222  1  112.3548466  1 -120.9152503  1     6     1     7
  C     1.49645824  1  108.8658736  1 -118.6069713  1     1     2     6
  H     1.10041137  1  112.3425398  1   59.7804430  1    10     1     2
  H     1.10528442  1  110.4855077  1  120.8828602  1    10     1    11
  H     1.10509322  1  110.5136900  1 -121.0322610  1    10     1    11
  B     1.57739772  1  110.1359244  1  120.6455987  1     1     2     6
  H     1.19309034  1  117.8489690  1   59.9401604  1    14     1     2
  H     1.19307548  1  117.8465418  1  -60.0839646  1    14     1     2
  H     1.19306493  1  117.8491573  1  179.9366015  1    14     1     2