PM7 Accuracy

m-dicyanobenzene    642 m-Dicyanobenzene

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    #  Species Formula
   632 TriethylenediamineC6H12N2
   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-Dicyanobenzene C8H4N2
   643 o-DicyanobenzeneC8H4N2
   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


DHf: 86.7 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
m-Dicyanobenzene
 H=86.69 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.39277404  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.40038714  1  119.7394012  1    0.0000000  0     2     1     0
  C     1.39751014  1  120.5870512  1   -0.0312741  1     3     2     1
  C     1.39758962  1  119.0760365  1    0.0239115  1     4     3     2
  C     1.39267250  1  120.2576090  1    0.0304515  1     1     2     3
  C     1.42177128  1  119.6558141  1  179.9855763  1     3     2     4
  N     1.15708755  1  149.9468948  1  179.9912173  1     7     2     3
  C     1.42160592  1  119.7566351  1 -179.9740169  1     5     4     3
  N     1.15705885  1  150.3328130  1  179.9987483  1     9     4     5
  H     1.09207497  1  120.3043437  1  179.9950111  1     2     1     3
  H     1.09292494  1  120.4999928  1 -179.9982823  1     4     3     5
  H     1.09214911  1  120.2653866  1 -179.9824918  1     6     1     2
  H     1.09129844  1  119.8564957  1 -179.9907422  1     1     2     6