PM7 Accuracy Date:Mon Feb 11 04:20:05 2019

1,1,1-tricyano-2-phenyl ethane    693 1,1,1-Tricyano-2-phenyl ethane

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    #  Species Formula
   683 Hydrazoic acidHN3
   684 BorazoleH6B3N3
   685 Borazole (Geo)H6B3N3
   686 Methyl AzideCH3N3
   687 1,3,5-TriazineC3H3N3
   688 s-Triazine (Geo)C3H3N3
   689 EthylenetricarbonitrileHC5N3
   690 1,1,1-EthanetricarbonitrileC5H3N3
   691 TrisdimethylaminoboraneH18BC6N3
   692 1,3,5-TricyanobenzeneC9H3N3
   693 1,1,1-Tricyano-2-phenyl ethane C11H7N3
   694 2,2',6',2'-TerpyridineC15H11N3
   695 Li(I)N3C (DANKUY) (Geo)H28LiC15N3
   696 Li(I)N3C (DANKUY)H28LiC15N3
   697 1-H TetrazoleCH2N4
   698 2-H-TetrazoleCH2N4
   699 TetracyanoethyleneC6N4
   700 1,3,5,7-TetraazaadamantaneC6H12N4
   701 Li(I)N4(+) (PIKWAH) (Geo)H32LiC12N4
   702 Li(I)N4(+) (PIKWAH)H32LiC12N4
   703 AdenineC5H5N5


ΔHf: 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