Accuracy

ethyl(1,1-dimethylpropyl)malonodinitrile    663 Ethyl(1,1-dimethylpropyl)malonodinitrile

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    #  Species Formula
   653 3-QuinolinamineC9H8N2
   654 5-QuinolinamineC9H8N2
   655 6-QuinolinamineC9H8N2
   656 8-QuinolinamineC9H8N2
   657 2-(Diethylamino)-pentanenitrileC9H18N2
   658 2,2-BipyridylC10H8N2
   659 2,4-BipyridylC10H8N2
   660 4,4'-BipyridineC10H8N2
   661 2,3-Dimethyl quinoxalineC10H10N2
   662 alpha N,N-dimethylamino phenylacetonitrileC10H12N2
   663 Ethyl(1,1-dimethylpropyl)malonodinitrile C10H16N2
   664 Meso-2,3-diethyl-2,3-dimethylsuccinodinitrileC10H16N2
   665 Methyl(1,1,2-trimethylpropyl)malonodinitrileC10H16N2
   666 PhenazineC12H8N2
   667 PhenazoneC12H8N2
   668 cis-AzobenzeneC12H10N2
   669 Diphenyl diazeneC12H10N2
   670 4,4'-Dimethyl-2,2'-bipyridineC12H12N2
   671 1,(1-Piperidinyl) cyclohexanecarbonitrileC12H20N2
   672 Li(I)(Cp)N2 (SIJNII) (Geo)H23LiC12N2
   673 Li(I)(Cp)N2 (SIJNII)H23LiC12N2


ΔHf: 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