Accuracy

ch2chcnr    470 Acrylonitrile (Geo)

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    #  Species Formula
   460 Ethyleneimine (Azirane) (Geo)C2H5N
   461 Ethyleneimine (Azirane)C2H5N
   462 Dimethyl nitrogen, anionC2H6N
   463 DimethylamineC2H7N
   464 EthylamineC2H7N
   465 Dimethylamine (Geo)C2H7N
   466 N,N-Dimethylamine diboraneC2H11B2N
   467 CH.C.CNHC3N
   468 CH.C.CN (Geo)HC3N
   469 AcrylonitrileC3H3N
   470 Acrylonitrile (Geo) C3H3N
   471 Ethyl cyanideC3H5N
   472 CyclopropylamineC3H7N
   473 IsopropylamineC3H9N
   474 Trimethylamine (Geo)C3H9N
   475 n-PropylamineC3H9N
   476 TrimethylamineC3H9N
   477 Trimethyamine-Borane adductH12BC3N
   478 Trimethylborane-Ammonia adductH12BC3N
   479 (E)-2-ButenenitrileC4H5N
   480 (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