PM7 Accuracy

4,4'-dimethyl-2,2'-bipyridine    673 4,4'-Dimethyl-2,2'-bipyridine

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

   

    #  Species Formula
   663 4,4'-BipyridineC10H8N2
   664 2,3-Dimethyl quinoxalineC10H10N2
   665 alpha N,N-dimethylamino phenylacetonitrileC10H12N2
   666 Ethyl(1,1-dimethylpropyl)malonodinitrileC10H16N2
   667 Meso-2,3-diethyl-2,3-dimethylsuccinodinitrileC10H16N2
   668 Methyl(1,1,2-trimethylpropyl)malonodinitrileC10H16N2
   669 PhenazineC12H8N2
   670 PhenazoneC12H8N2
   671 cis-AzobenzeneC12H10N2
   672 Diphenyl diazeneC12H10N2
   673 4,4'-Dimethyl-2,2'-bipyridine C12H12N2
   674 1,(1-Piperidinyl) cyclohexanecarbonitrileC12H20N2
   675 Li(I)(Cp)N2 (SIJNII) (Geo)H23LiC12N2
   676 Li(I)(Cp)N2 (SIJNII)H23LiC12N2
   677 a-Phenyl-1-piperidineacetonitrileC13H16N2
   678 Li(I)N2C5 (FAGCAR) (Geo)H25LiC14N2
   679 Li(I)N2C5 (FAGCAR)H25LiC14N2
   680 2,2'-BiquinolineC18H12N2
   681 TetraisobutylsuccinonitrileC20H36N2
   682 AzideN3
   683 Azide (Geo)N3


DHf: 50.0 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
4,4'-Dimethyl-2,2'-bipyridine
 H=50.02 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.40013682  1    0.0000000  0    0.0000000  0     1     0     0
  N     1.34307965  1  122.8906116  1    0.0000000  0     2     1     0
  C     1.35396508  1  118.4899672  1    0.0484477  1     3     2     1
  C     1.40176193  1  122.1822414  1   -0.0070033  1     4     3     2
  C     1.39659764  1  118.6146016  1   -0.0516036  1     1     2     3
  C     1.48269225  1  116.1861340  1 -179.9451936  1     4     3     5
  C     1.40165205  1  121.6677082  1    0.3242469  1     7     4     3
  C     1.39648866  1  118.9697963  1  179.9426087  1     8     7     4
  C     1.39663729  1  118.8554106  1    0.0193539  1     9     8     7
  C     1.40023676  1  118.6072747  1    0.0030342  1    10     9     8
  N     1.34297365  1  122.9016207  1   -0.0264549  1    11    10     9
  H     1.08445175  1  120.4507164  1 -179.9902929  1     1     2     6
  H     1.09629558  1  121.6072712  1 -179.9737103  1     2     1     3
  H     1.09163813  1  119.7166213  1  179.9662321  1     5     4     3
  C     1.48826068  1  120.3752326  1  179.9962055  1     6     1     2
  H     1.09165967  1  119.6916591  1 -179.9933296  1     8     7     9
  C     1.48826693  1  120.7647779  1 -179.9871022  1     9     8    10
  H     1.08448441  1  120.9410988  1  179.9972042  1    10     9    11
  H     1.09631778  1  121.6209839  1  179.9993713  1    11    10    12
  H     1.10067491  1  111.3727314  1  -59.7842488  1    16     6     1
  H     1.10067859  1  111.3862350  1  119.4948313  1    16     6    21
  H     1.09975895  1  112.7866516  1  120.2581188  1    16     6    22
  H     1.10070941  1  111.3962659  1 -120.5524472  1    18     9     8
  H     1.10072186  1  111.3695335  1 -119.5219306  1    18     9    24
  H     1.09980291  1  112.7718725  1 -120.2334948  1    18     9    25