PM7 Accuracy Date:Mon Feb 11 04:20:05 2019

alpha n,n-dimethylamino phenylacetonitrile    664 alpha N,N-dimethylamino phenylacetonitrile

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    #  Species Formula
   654 1,2-DibutylhydrazineC8H20N2
   655 3-QuinolinamineC9H8N2
   656 5-QuinolinamineC9H8N2
   657 6-QuinolinamineC9H8N2
   658 8-QuinolinamineC9H8N2
   659 2-(Diethylamino)-pentanenitrileC9H18N2
   660 2,2-BipyridylC10H8N2
   661 2,4-BipyridylC10H8N2
   662 4,4'-BipyridineC10H8N2
   663 2,3-Dimethyl quinoxalineC10H10N2
   664 alpha N,N-dimethylamino phenylacetonitrile C10H12N2
   665 Ethyl(1,1-dimethylpropyl)malonodinitrileC10H16N2
   666 Meso-2,3-diethyl-2,3-dimethylsuccinodinitrileC10H16N2
   667 Methyl(1,1,2-trimethylpropyl)malonodinitrileC10H16N2
   668 PhenazineC12H8N2
   669 PhenazoneC12H8N2
   670 cis-AzobenzeneC12H10N2
   671 Diphenyl diazeneC12H10N2
   672 4,4'-Dimethyl-2,2'-bipyridineC12H12N2
   673 1,(1-Piperidinyl) cyclohexanecarbonitrileC12H20N2
   674 Li(I)(Cp)N2 (SIJNII) (Geo)H23LiC12N2


ΔHf: 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