Accuracy

o-dicyanobenzene    640 o-Dicyanobenzene

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    #  Species Formula
   630 1,2-DiisopropyldiazeneC6H14N2
   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-Dicyanobenzene C8H4N2
   641 p-DicyanobenzeneC8H4N2
   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


ΔHf: 87.8 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
o-Dicyanobenzene
 H=87.83 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.39323553 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.39796926 +1  119.8584141 +1    0.0000000 +0     2     1     0
  C     1.40477178 +1  119.8952785 +1   -0.0239232 +1     3     2     1
  C     1.39793150 +1  119.8666312 +1    0.0150432 +1     4     3     2
  C     1.39386855 +1  120.2523280 +1    0.0189721 +1     1     2     3
  C     1.42241219 +1  119.1407499 +1 -179.9917166 +1     3     2     4
  N     1.15680857 +1  148.9823402 +1  179.9850787 +1     7     2     3
  C     1.42241773 +1  120.9788731 +1 -179.9955761 +1     4     3     5
  N     1.15682660 +1  151.5737154 +1 -179.9960636 +1     9     3     4
  H     1.09210363 +1  120.2190070 +1  179.9846887 +1     2     1     3
  H     1.09116556 +1  119.7861479 +1  179.9970699 +1     1     2     6
  H     1.09212153 +1  119.9168833 +1 -179.9912172 +1     5     4     3
  H     1.09118341 +1  119.9671518 +1  179.9994610 +1     6     1     2