PM7 Accuracy

ethyl(1,1-dimethylpropyl)malonodinitrile    666 Ethyl(1,1-dimethylpropyl)malonodinitrile

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    #  Species Formula
   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 phenylacetonitrileC10H12N2
   666 Ethyl(1,1-dimethylpropyl)malonodinitrile C10H16N2
   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
   676 Li(I)(Cp)N2 (SIJNII)H23LiC12N2


DHf: 14.6 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
Ethyl(1,1-dimethylpropyl)malonodinitrile
 H=14.64 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.55280716  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.45899149  1  109.0898279  1    0.0000000  0     1     2     0
  C     1.45992342  1  108.3208459  1 -118.4413218  1     1     2     3
  C     1.59230660  1  112.3379367  1 -120.4484063  1     1     2     4
  C     1.53351877  1  108.1395799  1  176.8510241  1     5     1     2
  C     1.53097055  1  109.2169696  1 -119.0657023  1     5     1     6
  C     1.54404637  1  108.8195757  1 -121.1271615  1     5     1     7
  H     1.10951002  1  109.6872363  1  -60.1321891  1     8     5     1
  C     1.52819203  1  113.4312067  1 -121.9333046  1     8     5     9
  N     1.15593424  1  142.0224457  1  179.2575663  1     4     2     1
  N     1.15572265  1  142.8398031  1 -179.5057194  1     3     2     1
  H     1.10916011  1  109.2707806  1  179.0712257  1     2     1     3
  C     1.52525110  1  112.3351844  1 -122.0698835  1     2     1    13
  H     1.10869331  1  109.5800412  1 -122.2474391  1     2     1    14
  H     1.09678302  1  112.1505266  1   60.8387489  1     6     5     1
  H     1.09688750  1  112.2732697  1 -121.2752298  1     6     5    16
  H     1.09735873  1  111.2002624  1 -119.1795571  1     6     5    17
  H     1.09532108  1  112.2642859  1  -70.9285663  1     7     5     1
  H     1.09692273  1  112.2118315  1  121.7199975  1     7     5    19
  H     1.09838523  1  110.9070494  1  118.9350316  1     7     5    20
  H     1.10746450  1  110.0257607  1 -122.0664080  1     8     5    10
  H     1.09552666  1  111.9012511  1  -63.1223707  1    10     8     5
  H     1.09579759  1  111.9992359  1  121.2058440  1    10     8    23
  H     1.09728227  1  110.6689437  1  119.3782763  1    10     8    24
  H     1.09771039  1  112.1608747  1   58.3222683  1    14     2     1
  H     1.09796354  1  112.0692013  1 -120.7659620  1    14     2    26
  H     1.09773396  1  111.0014787  1 -119.5762722  1    14     2    27