PM7 Accuracy

tetracyanoethylene    700 Tetracyanoethylene

(Previous)     (Back)     (Next)         Geometry predicted using PM7

   

    #  Species Formula
   690 EthylenetricarbonitrileHC5N3
   691 1,1,1-EthanetricarbonitrileC5H3N3
   692 TrisdimethylaminoboraneH18BC6N3
   693 1,3,5-TricyanobenzeneC9H3N3
   694 1,1,1-Tricyano-2-phenyl ethaneC11H7N3
   695 2,2',6',2'-TerpyridineC15H11N3
   696 Li(I)N3C (DANKUY) (Geo)H28LiC15N3
   697 Li(I)N3C (DANKUY)H28LiC15N3
   698 1-H TetrazoleCH2N4
   699 2-H-TetrazoleCH2N4
   700 Tetracyanoethylene C6N4
   701 1,3,5,7-TetraazaadamantaneC6H12N4
   702 Li(I)N4(+) (PIKWAH) (Geo)H32LiC12N4
   703 Li(I)N4(+) (PIKWAH)H32LiC12N4
   704 AdenineC5H5N5
   705 MelamineC3H6N6
   706 Be(II)3N6 (DMABET10) (Geo)C12H36Be3N6
   707 Oxygen, atomO
   708 Hydroxyl radicalHO
   709 Hydroxide, anionHO
   710 Water (Geo)H2O


DHf: 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