PM7 Accuracy

ch2chcnr    472 Acrylonitrile (Geo)

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    #  Species Formula
   462 Ethyleneimine (Azirane) (Geo)C2H5N
   463 Ethyleneimine (Azirane)C2H5N
   464 Dimethyl nitrogen, anionC2H6N
   465 DimethylamineC2H7N
   466 EthylamineC2H7N
   467 Dimethylamine (Geo)C2H7N
   468 N,N-Dimethylamine diboraneC2H11B2N
   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 adductH12BC3N
   480 Trimethylborane-Ammonia adductH12BC3N
   481 (E)-2-ButenenitrileC4H5N
   482 (Z)-2-ButenenitrileC4H5N


REF: C. C. Costain, J. Chem. Phys., 29, 864 (1958).
  
 PM7
Acrylonitrile
 <C1-C2> <C2-C3> <C-C-C> <C-N> GR=CCC1958
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.33900000  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.42600000  1  122.6000000  1    0.0000000  0     2     1     0
  N     1.16400000  1  179.3545937  1  180.0000000  0     3     2     1
  H     1.09722356  1  122.7038024  1  180.0000000  0     2     1     3
  H     1.08287946  1  123.8843064  1    0.0000000  0     1     2     3
  H     1.08280780  1  123.0391083  1 -180.0000000  0     1     2     3