Accuracy

1,1,1-ethanetricarbonitrile    688 1,1,1-Ethanetricarbonitrile

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    #  Species Formula
   678 TetraisobutylsuccinonitrileC20H36N2
   679 AzideN3
   680 Azide (Geo)N3
   681 Hydrazoic acidHN3
   682 BorazoleH6B3N3
   683 Borazole (Geo)H6B3N3
   684 Methyl AzideCH3N3
   685 1,3,5-TriazineC3H3N3
   686 s-Triazine (Geo)C3H3N3
   687 EthylenetricarbonitrileHC5N3
   688 1,1,1-Ethanetricarbonitrile C5H3N3
   689 TrisdimethylaminoboraneH18BC6N3
   690 1,3,5-TricyanobenzeneC9H3N3
   691 1,1,1-Tricyano-2-phenyl ethaneC11H7N3
   692 2,2',6',2'-TerpyridineC15H11N3
   693 Li(I)N3C (DANKUY) (Geo)H28LiC15N3
   694 Li(I)N3C (DANKUY)H28LiC15N3
   695 1-H TetrazoleCH2N4
   696 2-H-TetrazoleCH2N4
   697 TetracyanoethyleneC6N4
   698 1,3,5,7-TetraazaadamantaneC6H12N4


ΔHf: 101.0 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
1,1,1-Ethanetricarbonitrile
 H=100.97 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.54201284 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.46473807 +1  109.5683444 +1    0.0000000 +0     2     1     0
  N     1.15395743 +1  143.2971851 +1  179.9926632 +1     3     1     2
  C     1.46488905 +1  109.5010441 +1 -119.9570785 +1     2     1     3
  N     1.15392743 +1  143.2200784 +1 -179.9692440 +1     5     1     2
  C     1.46469977 +1  109.5686090 +1 -119.9735997 +1     2     1     5
  N     1.15395068 +1  143.2911921 +1 -179.8940015 +1     7     1     2
  H     1.10039941 +1  111.5863350 +1 -179.9375152 +1     1     2     3
  H     1.10041330 +1  111.5961739 +1  120.0025826 +1     1     2     9
  H     1.10040812 +1  111.5881962 +1  120.0030311 +1     1     2    10