Accuracy

t-butylmalononitrile    635 t-Butylmalononitrile

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    #  Species Formula
   625 HexanedinitrileC6H8N2
   626 PhenylhydrazineC6H8N2
   627 3(Dimethylamino) propanenitrileC6H12N2
   628 TetramethyldiazetineC6H12N2
   629 TriethylenediamineC6H12N2
   630 1,2-DiisopropyldiazeneC6H14N2
   631 DipropyldiazeneC6H14N2
   632 1H-BenzimidazoleC7H6N2
   633 1H-IndazoleC7H6N2
   634 1-Methyl-1-phenylhydrazineC7H10N2
   635 t-Butylmalononitrile C7H10N2
   636 Trimethyl pyrazineC7H10N2
   637 1-PiperidineacetonitrileC7H12N2
   638 3,3,5,5-Tetramethyl-1-pyrazolineC7H14N2
   639 m-DicyanobenzeneC8H4N2
   640 o-DicyanobenzeneC8H4N2
   641 p-DicyanobenzeneC8H4N2
   642 PhthalazineC8H6N2
   643 QuinazolineC8H6N2
   644 QuinoxalineC8H6N2
   645 n-PentylmalonodinitrileC8H12N2


ΔHf: 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