PM7 Accuracy

methyl(1,1,2-trimethylpropyl)malonodinitrile    668 Methyl(1,1,2-trimethylpropyl)malonodinitrile

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    #  Species Formula
   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 phenylacetonitrileC10H12N2
   666 Ethyl(1,1-dimethylpropyl)malonodinitrileC10H16N2
   667 Meso-2,3-diethyl-2,3-dimethylsuccinodinitrileC10H16N2
   668 Methyl(1,1,2-trimethylpropyl)malonodinitrile C10H16N2
   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
   676 Li(I)(Cp)N2 (SIJNII)H23LiC12N2
   677 a-Phenyl-1-piperidineacetonitrileC13H16N2
   678 Li(I)N2C5 (FAGCAR) (Geo)H25LiC14N2


DHf: 19.0 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
Methyl(1,1,2-trimethylpropyl)malonodinitrile
 H=18.96 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.53901336  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.46185766  1  108.7421906  1    0.0000000  0     1     2     0
  C     1.46485260  1  107.6572247  1 -115.4308996  1     1     2     3
  C     1.58782220  1  113.0458284  1 -120.6674211  1     1     2     4
  C     1.53254653  1  108.0762889  1 -171.4013492  1     5     1     2
  C     1.53804501  1  107.6868852  1 -117.4379205  1     5     1     6
  C     1.55796340  1  111.7237013  1 -119.2762599  1     5     1     7
  C     1.53141659  1  113.9599353  1  -53.7578132  1     8     5     1
  C     1.53682092  1  111.3824059  1 -122.4186145  1     8     5     9
  N     1.15548889  1  142.0112682  1 -179.5598001  1     4     2     1
  N     1.15580690  1  142.8836127  1  177.7440642  1     3     2     1
  H     1.09793564  1  111.8355892  1  -59.0088720  1     2     1     3
  H     1.09775003  1  111.4980461  1 -120.4416043  1     2     1    13
  H     1.09979299  1  111.4460434  1 -119.7935387  1     2     1    14
  H     1.09683494  1  112.2453008  1   70.1081419  1     6     5     1
  H     1.09681682  1  112.1046985  1 -121.1556192  1     6     5    16
  H     1.09729258  1  111.2412232  1 -119.2082437  1     6     5    17
  H     1.09468022  1  112.2990880  1  -57.5010286  1     7     5     1
  H     1.09732256  1  112.2260784  1  121.4147976  1     7     5    19
  H     1.09751019  1  111.3264123  1  118.5273069  1     7     5    20
  H     1.11948546  1  107.3296330  1 -117.5500749  1     8     5    10
  H     1.09427122  1  112.7681956  1   70.1483340  1     9     8     5
  H     1.09669535  1  112.0400809  1 -121.8768177  1     9     8    23
  H     1.09763982  1  110.8441720  1 -119.0072008  1     9     8    24
  H     1.09435719  1  112.4409964  1  -52.2980826  1    10     8     5
  H     1.09600148  1  111.6082678  1  121.2992336  1    10     8    26
  H     1.09653283  1  110.6581296  1  119.1237622  1    10     8    27