Accuracy

p-dicyanobenzene    641 p-Dicyanobenzene

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    #  Species Formula
   631 DipropyldiazeneC6H14N2
   632 1H-BenzimidazoleC7H6N2
   633 1H-IndazoleC7H6N2
   634 1-Methyl-1-phenylhydrazineC7H10N2
   635 t-ButylmalononitrileC7H10N2
   636 Trimethyl pyrazineC7H10N2
   637 1-PiperidineacetonitrileC7H12N2
   638 3,3,5,5-Tetramethyl-1-pyrazolineC7H14N2
   639 m-DicyanobenzeneC8H4N2
   640 o-DicyanobenzeneC8H4N2
   641 p-Dicyanobenzene C8H4N2
   642 PhthalazineC8H6N2
   643 QuinazolineC8H6N2
   644 QuinoxalineC8H6N2
   645 n-PentylmalonodinitrileC8H12N2
   646 TetramethylbutanedinitrileC8H12N2
   647 TetramethylpyrazineC8H12N2
   648 1,4-Dimethyl-2,3-diaza-bicyclo[2.2.2]oct-2-eneC8H14N2
   649 3,4,5,6-Tetrahydro-3,3,6,6-tetramethylpyridazineC8H16N2
   650 Di-n-butyldiazeneC8H18N2
   651 Di-tert-butyldiazeneC8H18N2


ΔHf: 85.6 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
p-Dicyanobenzene
 H=85.64 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.39117674 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.39953004 +1  119.6265762 +1    0.0000000 +0     2     1     0
  C     1.39923920 +1  120.7366417 +1    0.0131361 +1     3     2     1
  C     1.39131941 +1  119.6263343 +1    0.0011565 +1     4     3     2
  C     1.39928473 +1  119.6423624 +1   -0.0058662 +1     1     2     3
  C     1.42288680 +1  119.6208634 +1  179.9999964 +1     3     2     4
  N     1.15709048 +1  150.1089025 +1  179.9996470 +1     7     2     3
  C     1.42277888 +1  119.6344652 +1 -179.9995258 +1     6     1     2
  N     1.15708004 +1  150.1147206 +1 -179.9998828 +1     9     1     6
  H     1.09196797 +1  120.2433163 +1 -179.9984641 +1     2     1     3
  H     1.09197295 +1  120.1684166 +1  179.9987937 +1     4     3     5
  H     1.09196291 +1  120.2351738 +1  179.9997205 +1     1     2     6
  H     1.09197308 +1  120.2065516 +1  179.9948236 +1     5     4     3