PM7 Accuracy

3-butenenitrile    483 3-Butenenitrile

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    #  Species Formula
   473 Ethyl cyanideC3H5N
   474 CyclopropylamineC3H7N
   475 IsopropylamineC3H9N
   476 Trimethylamine (Geo)C3H9N
   477 n-PropylamineC3H9N
   478 TrimethylamineC3H9N
   479 Trimethyamine-Borane adductH12BC3N
   480 Trimethylborane-Ammonia adductH12BC3N
   481 (E)-2-ButenenitrileC4H5N
   482 (Z)-2-ButenenitrileC4H5N
   483 3-Butenenitrile C4H5N
   484 Pyrrole (Geo)C4H5N
   485 PyrroleC4H5N
   486 ButanenitrileC4H7N
   487 Isobutane nitrileC4H7N
   488 PyrrolidineC4H9N
   489 2-ButylamineC4H11N
   490 2-Methyl-1-propylamineC4H11N
   491 N-ButylamineC4H11N
   492 t-ButylamineC4H11N
   493 Pyridine (Geo)C5H5N


DHf: 37.7 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
3-Butenenitrile
 H=37.7 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.33176928  1    0.0000000  0    0.0000000  0     1     0     0
  C     2.44382924  1  155.2402804  1    0.0000000  0     2     1     0
  N     1.15623251  1  145.6547778  1 -179.6736464  1     3     2     1
  C     1.44477335  1   34.6871486  1  179.9667899  1     3     2     4
  H     1.07893887  1  124.4012538  1   -0.2076699  1     1     2     3
  H     1.08063416  1  123.1727282  1 -179.9910043  1     1     2     6
  H     1.09013693  1  122.2525458  1 -179.7974148  1     2     1     3
  H     1.12147032  1  110.0011683  1 -122.6459663  1     5     3     2
  H     1.12141693  1  110.0308812  1 -114.7498601  1     5     3     9