PM7 Accuracy

2-butylamine    489 2-Butylamine

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    #  Species Formula
   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
   488 PyrrolidineC4H9N
   489 2-Butylamine C4H11N
   490 2-Methyl-1-propylamineC4H11N
   491 N-ButylamineC4H11N
   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


DHf: -25.4 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
2-Butylamine
 H=-25.4 HR=NIST
  N     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.47960581  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.54263525  1  112.2743570  1    0.0000000  0     2     1     0
  C     1.54494708  1  109.6594210  1  122.2549750  1     2     1     3
  C     1.52788914  1  110.9129229  1   68.5247621  1     4     2     1
  H     1.00539078  1  112.2590255  1  -69.3786549  1     1     2     3
  H     1.00579689  1  111.9319369  1  123.0124027  1     1     2     6
  H     1.12145505  1  106.5891229  1  118.2568439  1     2     1     4
  H     1.09384907  1  111.6174736  1   63.5366243  1     3     2     1
  H     1.09484914  1  111.0444006  1  119.9605342  1     3     2     9
  H     1.09417026  1  111.3717396  1  119.4014610  1     3     2    10
  H     1.10549620  1  109.5888233  1  121.6389303  1     4     2     5
  H     1.10537872  1  110.1522590  1  116.2301144  1     4     2    12
  H     1.10003798  1  110.6341272  1  -54.4340679  1     5     4     2
  H     1.09486811  1  111.6087659  1  119.0786795  1     5     4    14
  H     1.09400969  1  111.5418233  1  120.8521749  1     5     4    15