Accuracy

tetracyanoethylene    697 Tetracyanoethylene

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    #  Species Formula
   687 EthylenetricarbonitrileHC5N3
   688 1,1,1-EthanetricarbonitrileC5H3N3
   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 Tetracyanoethylene C6N4
   698 1,3,5,7-TetraazaadamantaneC6H12N4
   699 Li(I)N4(+) (PIKWAH) (Geo)H32LiC12N4
   700 Li(I)N4(+) (PIKWAH)H32LiC12N4
   701 AdenineC5H5N5
   702 MelamineC3H6N6
   703 Be(II)3N6 (DMABET10) (Geo)C12H36Be3N6
   704 Oxygen, atomO
   705 Hydroxyl radicalHO
   706 Hydroxide, anionHO
   707 Water (Geo)H2O


ΔHf: 168.5 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
Tetracyanoethylene
 H=168.5 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.35636258 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.42544062 +1  122.4741860 +1    0.0000000 +0     1     2     0
  N     1.15606615 +1  152.6458791 +1  179.9928797 +1     3     2     1
  C     1.42544313 +1  122.4482165 +1   -0.0038256 +1     2     1     3
  N     1.15609460 +1  152.5741518 +1  179.9888905 +1     5     1     2
  C     1.42552681 +1  122.3654723 +1 -179.9900318 +1     2     1     5
  N     1.15607258 +1  152.4539950 +1  179.9986921 +1     7     1     2
  C     1.42552415 +1  122.3917232 +1 -179.9946682 +1     1     2     3
  N     1.15604590 +1  152.5264030 +1  179.9961245 +1     9     2     1