PM7 Accuracy

alpha n,n-dimethylamino phenylacetonitrile    665 alpha N,N-dimethylamino phenylacetonitrile

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    #  Species Formula
   655 1,2-DibutylhydrazineC8H20N2
   656 3-QuinolinamineC9H8N2
   657 5-QuinolinamineC9H8N2
   658 6-QuinolinamineC9H8N2
   659 8-QuinolinamineC9H8N2
   660 2-(Diethylamino)-pentanenitrileC9H18N2
   661 2,2-BipyridylC10H8N2
   662 2,4-BipyridylC10H8N2
   663 4,4'-BipyridineC10H8N2
   664 2,3-Dimethyl quinoxalineC10H10N2
   665 alpha N,N-dimethylamino phenylacetonitrile C10H12N2
   666 Ethyl(1,1-dimethylpropyl)malonodinitrileC10H16N2
   667 Meso-2,3-diethyl-2,3-dimethylsuccinodinitrileC10H16N2
   668 Methyl(1,1,2-trimethylpropyl)malonodinitrileC10H16N2
   669 PhenazineC12H8N2
   670 PhenazoneC12H8N2
   671 cis-AzobenzeneC12H10N2
   672 Diphenyl diazeneC12H10N2
   673 4,4'-Dimethyl-2,2'-bipyridineC12H12N2
   674 1,(1-Piperidinyl) cyclohexanecarbonitrileC12H20N2
   675 Li(I)(Cp)N2 (SIJNII) (Geo)H23LiC12N2


DHf: 52.7 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
alpha N,N-dimethylamino phenylacetonitrile
 H=52.66 HR=NIST
  C    -0.01998580  1   0.02331990  1  -0.06292118  1
  C     1.33237144  1   0.19777855  1  -0.42874859  1
  C     1.95369963  1   1.42667526  1  -0.26053110  1
  C     1.25294841  1   2.51305299  1   0.26407883  1
  C    -0.08956680  1   2.35677946  1   0.60964836  1
  C    -0.72501538  1   1.13340103  1   0.44886257  1
  N    -0.60864193  1  -1.24985817  1  -0.09076891  1
  C    -0.00948784  1  -2.24160771  1  -0.99974882  1
  C    -2.08065313  1  -1.30715312  1  -0.08223054  1
  C     1.93565420  1   3.83852806  1   0.44576307  1
  C     1.83242201  1   4.62678869  1  -0.76292134  1
  N     1.74732456  1   5.25323027  1  -1.73149123  1
  H     1.90680610  1  -0.62788937  1  -0.83842546  1
  H     2.99898839  1   1.54150914  1  -0.54831568  1
  H    -0.65257135  1   3.20257596  1   1.00595661  1
  H    -1.76997510  1   1.04455327  1   0.72936650  1
  H    -0.56128857  1  -3.19422015  1  -0.93706516  1
  H     1.02564296  1  -2.45766366  1  -0.67640691  1
  H     0.00526906  1  -1.91536553  1  -2.05240466  1
  H    -2.42236437  1  -2.35218637  1  -0.16604156  1
  H    -2.54635044  1  -0.72371917  1  -0.89316694  1
  H    -2.45271483  1  -0.93237052  1   0.88908844  1
  H     3.00965098  1   3.69309326  1   0.72492132  1
  H     1.49379797  1   4.39286043  1   1.31123882  1