PM7 Accuracy

t-butylmalononitrile    638 t-Butylmalononitrile

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    #  Species Formula
   628 HexanedinitrileC6H8N2
   629 PhenylhydrazineC6H8N2
   630 3(Dimethylamino) propanenitrileC6H12N2
   631 TetramethyldiazetineC6H12N2
   632 TriethylenediamineC6H12N2
   633 1,2-DiisopropyldiazeneC6H14N2
   634 DipropyldiazeneC6H14N2
   635 1H-BenzimidazoleC7H6N2
   636 1H-IndazoleC7H6N2
   637 1-Methyl-1-phenylhydrazineC7H10N2
   638 t-Butylmalononitrile C7H10N2
   639 Trimethyl pyrazineC7H10N2
   640 1-PiperidineacetonitrileC7H12N2
   641 3,3,5,5-Tetramethyl-1-pyrazolineC7H14N2
   642 m-DicyanobenzeneC8H4N2
   643 o-DicyanobenzeneC8H4N2
   644 p-DicyanobenzeneC8H4N2
   645 PhthalazineC8H6N2
   646 QuinazolineC8H6N2
   647 QuinoxalineC8H6N2
   648 n-PentylmalonodinitrileC8H12N2


DHf: 30.3 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
t-Butylmalononitrile
 H=30.29 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.53167870  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.52906932  1  110.2877034  1    0.0000000  0     2     1     0
  C     1.53162928  1  109.7648594  1 -121.7130941  1     2     1     3
  C     1.57809199  1  108.2260681  1 -118.0814867  1     2     1     4
  C     1.45244566  1  111.0564438  1  178.1495066  1     5     2     1
  N     1.15566627  1  144.0237645  1  178.7644842  1     6     2     5
  C     1.45258710  1  110.9992407  1  122.5215085  1     5     2     6
  N     1.15568342  1  143.9762285  1 -178.7397523  1     8     2     5
  H     1.09521601  1  112.3176578  1 -178.2954339  1     1     2     3
  H     1.09746369  1  112.1629678  1  121.3752682  1     1     2    10
  H     1.09800579  1  110.8899003  1  119.0088705  1     1     2    11
  H     1.09722179  1  112.1011905  1  179.8959947  1     3     2     1
  H     1.09719565  1  112.1172937  1 -120.8281129  1     3     2    13
  H     1.09738018  1  111.1635301  1 -119.6016422  1     3     2    14
  H     1.09743769  1  112.1607136  1  178.8982244  1     4     2     1
  H     1.09521390  1  112.3264544  1  121.4313367  1     4     2    16
  H     1.09805312  1  110.8867042  1  119.5663469  1     4     2    17
  H     1.13722902  1  107.2210737  1  118.6999282  1     5     2     8