Accuracy

2,2',6',2'-terpyridine    692 2,2',6',2'-Terpyridine

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

   

    #  Species Formula
   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-EthanetricarbonitrileC5H3N3
   689 TrisdimethylaminoboraneH18BC6N3
   690 1,3,5-TricyanobenzeneC9H3N3
   691 1,1,1-Tricyano-2-phenyl ethaneC11H7N3
   692 2,2',6',2'-Terpyridine C15H11N3
   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
   699 Li(I)N4(+) (PIKWAH) (Geo)H32LiC12N4
   700 Li(I)N4(+) (PIKWAH)H32LiC12N4
   701 AdenineC5H5N5
   702 MelamineC3H6N6


ΔHf: 94.3 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
2,2',6',2'-Terpyridine
 H=94.3 HR=NIST
  N     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.34255871 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.40232038 +1  122.6774423 +1    0.0000000 +0     2     1     0
  C     1.39246882 +1  118.4429191 +1    0.1650475 +1     3     2     1
  C     1.39290777 +1  119.4150093 +1    0.0157594 +1     4     3     2
  C     1.35288892 +1  118.6752833 +1   -0.2721132 +1     1     2     3
  C     1.48156526 +1  116.1033987 +1  179.9395029 +1     6     1     2
  N     1.34949271 +1  116.0647731 +1  162.5427321 +1     7     6     1
  C     1.34949524 +1  118.7564345 +1  179.6931261 +1     8     7     6
  C     1.40462899 +1  122.2896737 +1   -0.2523470 +1     9     8     7
  C     1.39194642 +1  118.5986426 +1    0.3908157 +1    10     9     8
  C     1.39198877 +1  119.4660617 +1   -0.1626994 +1    11    10     9
  C     1.48158123 +1  116.0745334 +1  179.8152604 +1     9     8    10
  N     1.35291564 +1  116.1134031 +1  163.0841787 +1    13     9     8
  C     1.34254593 +1  118.6649740 +1  179.9205028 +1    14    13     9
  C     1.40230834 +1  122.6881843 +1   -0.1611158 +1    15    14    13
  C     1.39247756 +1  118.4480376 +1    0.0307106 +1    16    15    14
  C     1.39287545 +1  119.4032658 +1    0.0809415 +1    17    16    15
  H     1.09617180 +1  115.5953652 +1 -179.9565661 +1     2     1     3
  H     1.08523975 +1  120.4449902 +1  179.9539062 +1     3     2     4
  H     1.08949067 +1  120.4252202 +1  179.9696915 +1     4     3     5
  H     1.09111908 +1  121.3977016 +1  179.6135332 +1     5     4     3
  H     1.09117025 +1  119.8828371 +1 -179.5919988 +1    10     9    11
  H     1.08967569 +1  120.2666065 +1  179.9992209 +1    11    10    12
  H     1.09109039 +1  121.5088017 +1  179.3732517 +1    12    11    10
  H     1.09616361 +1  115.5939818 +1 -179.9995912 +1    15    14    16
  H     1.08525638 +1  120.4395452 +1 -179.9797201 +1    16    15    17
  H     1.08949569 +1  120.4328647 +1  179.9657706 +1    17    16    18
  H     1.09116795 +1  121.3876152 +1  179.6391428 +1    18    17    16