PM7 Accuracy

1,1,1-tricyano-2-phenyl ethane    694 1,1,1-Tricyano-2-phenyl ethane

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    #  Species Formula
   684 Hydrazoic acidHN3
   685 BorazoleH6B3N3
   686 Borazole (Geo)H6B3N3
   687 Methyl AzideCH3N3
   688 1,3,5-TriazineC3H3N3
   689 s-Triazine (Geo)C3H3N3
   690 EthylenetricarbonitrileHC5N3
   691 1,1,1-EthanetricarbonitrileC5H3N3
   692 TrisdimethylaminoboraneH18BC6N3
   693 1,3,5-TricyanobenzeneC9H3N3
   694 1,1,1-Tricyano-2-phenyl ethane C11H7N3
   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 TetracyanoethyleneC6N4
   701 1,3,5,7-TetraazaadamantaneC6H12N4
   702 Li(I)N4(+) (PIKWAH) (Geo)H32LiC12N4
   703 Li(I)N4(+) (PIKWAH)H32LiC12N4
   704 AdenineC5H5N5


DHf: 129.2 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-Tricyano-2-phenyl ethane
 H=129.24 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.46337615  1    0.0000000  0    0.0000000  0     1     0     0
  N     1.15407258  1  179.5085263  1    0.0000000  0     2     1     0
  C     1.55764820  1  110.6922225  1   98.1585382  1     1     2     3
  C     1.46330537  1  110.3990249  1  122.7458467  1     1     2     4
  N     1.15407061  1  145.7130873  1 -179.9813774  1     5     2     1
  C     1.46744096  1  108.5427061  1  118.9673660  1     1     2     5
  N     1.15386787  1  144.4982028  1 -179.1836878  1     7     2     1
  C     1.50082732  1  117.0586414  1   61.0689611  1     4     1     2
  C     1.39227765  1  124.4294189  1    0.4045948  1     9     4     1
  C     1.39585940  1  120.1815666  1  179.8722467  1    10     9     4
  C     1.39109720  1  120.3522384  1    0.0261125  1    11    10     9
  C     1.39511188  1  119.6573388  1   -0.0130007  1    12    11    10
  C     1.39047422  1  120.0953850  1   -0.0037391  1    13    12    11
  H     1.11684026  1  108.1548453  1  123.1129507  1     4     1     9
  H     1.11692058  1  108.1433031  1  113.7984486  1     4     1    15
  H     1.08758961  1  121.6660792  1  179.9816340  1    10     9    11
  H     1.08990379  1  119.5553063  1 -179.9957239  1    11    10    12
  H     1.08839689  1  120.2371907  1 -179.9793607  1    12    11    13
  H     1.08897736  1  119.9478857  1 -179.9942027  1    13    12    14
  H     1.08876732  1  119.5040284  1 -179.9717662  1    14    13    12