Accuracy

1,3,5-tricyanobenzene    576 1,3,5-Tricyanobenzene

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    #  Species Formula
   566 2,2'-BiquinolineC18H12N2
   567 TetraisobutylsuccinonitrileC20H36N2
   568 AzideN3
   569 Azide (Geo)N3
   570 Hydrazoic acidHN3
   571 Methyl AzideCH3N3
   572 s-Triazine (Geo)C3H3N3
   573 1,3,5-TriazineC3H3N3
   574 EthylenetricarbonitrileHC5N3
   575 1,1,1-EthanetricarbonitrileC5H3N3
   576 1,3,5-Tricyanobenzene C9H3N3
   577 1,1,1-Tricyano-2-phenyl ethaneC11H7N3
   578 2,2',6',2'-TerpyridineC15H11N3
   579 1-H TetrazoleCH2N4
   580 2-H-TetrazoleCH2N4
   581 TetracyanoethyleneC6N4
   582 1,3,5,7-TetraazaadamantaneC6H12N4
   583 MelamineC3H6N6
   584 Oxygen, atomO
   585 Hydroxyl radicalHO
   586 Hydroxide, anionHO


ΔHf: 121.8 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.
  

1,3,5-Tricyanobenzene
 H=121.8 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.39831911 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.39858002 +1  119.3522589 +1    0.0000000 +0     2     1     0
  C     1.39839524 +1  120.6351397 +1    0.0123755 +1     3     2     1
  C     1.39846734 +1  119.3744177 +1   -0.0089147 +1     4     3     2
  C     1.39827379 +1  120.6169695 +1   -0.0063009 +1     5     4     3
  C     1.42213491 +1  119.6580960 +1  179.9852885 +1     1     2     3
  N     1.15671883 +1  150.0616980 +1 -179.9990081 +1     7     2     1
  C     1.42218782 +1  119.6595433 +1  179.9959090 +1     3     2     4
  N     1.15674970 +1  150.0828414 +1 -179.9908034 +1     9     2     3
  C     1.42214116 +1  119.7218670 +1  179.9969439 +1     5     4     6
  N     1.15674128 +1  150.1979178 +1  179.9852802 +1    11     4     5
  H     1.09465709 +1  120.3367906 +1 -179.9908293 +1     2     1     3
  H     1.09469477 +1  120.3386636 +1  179.9963825 +1     4     3     5
  H     1.09471740 +1  120.3197690 +1 -179.9841110 +1     6     5     4