PM7 Accuracy

p-dicyanobenzene    644 p-Dicyanobenzene

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    #  Species Formula
   634 DipropyldiazeneC6H14N2
   635 1H-BenzimidazoleC7H6N2
   636 1H-IndazoleC7H6N2
   637 1-Methyl-1-phenylhydrazineC7H10N2
   638 t-ButylmalononitrileC7H10N2
   639 Trimethyl pyrazineC7H10N2
   640 1-PiperidineacetonitrileC7H12N2
   641 3,3,5,5-Tetramethyl-1-pyrazolineC7H14N2
   642 m-DicyanobenzeneC8H4N2
   643 o-DicyanobenzeneC8H4N2
   644 p-Dicyanobenzene C8H4N2
   645 PhthalazineC8H6N2
   646 QuinazolineC8H6N2
   647 QuinoxalineC8H6N2
   648 n-PentylmalonodinitrileC8H12N2
   649 TetramethylbutanedinitrileC8H12N2
   650 TetramethylpyrazineC8H12N2
   651 1,4-Dimethyl-2,3-diaza-bicyclo[2.2.2]oct-2-eneC8H14N2
   652 3,4,5,6-Tetrahydro-3,3,6,6-tetramethylpyridazineC8H16N2
   653 Di-n-butyldiazeneC8H18N2
   654 Di-tert-butyldiazeneC8H18N2


DHf: 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