Accuracy

m-dicyanobenzene    639 m-Dicyanobenzene

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    #  Species Formula
   629 TriethylenediamineC6H12N2
   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-Dicyanobenzene C8H4N2
   640 o-DicyanobenzeneC8H4N2
   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


ΔHf: 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