PM7 Accuracy

o-dicyanobenzene    643 o-Dicyanobenzene

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    #  Species Formula
   633 1,2-DiisopropyldiazeneC6H14N2
   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-Dicyanobenzene C8H4N2
   644 p-DicyanobenzeneC8H4N2
   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


DHf: 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