PM7 Accuracy

   651 1,4-Dimethyl-2,3-diaza-bicyclo[2.2.2]oct-2-ene

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    #  Species Formula
   641 3,3,5,5-Tetramethyl-1-pyrazolineC7H14N2
   642 m-DicyanobenzeneC8H4N2
   643 o-DicyanobenzeneC8H4N2
   644 p-DicyanobenzeneC8H4N2
   645 PhthalazineC8H6N2
   646 QuinazolineC8H6N2
   647 QuinoxalineC8H6N2
   648 n-PentylmalonodinitrileC8H12N2
   649 TetramethylbutanedinitrileC8H12N2
   650 TetramethylpyrazineC8H12N2
   651 1,4-Dimethyl-2,3-diaza-bicyclo[2.2.2]oct-2-ene C8H14N2
   652 3,4,5,6-Tetrahydro-3,3,6,6-tetramethylpyridazineC8H16N2
   653 Di-n-butyldiazeneC8H18N2
   654 Di-tert-butyldiazeneC8H18N2
   655 1,2-DibutylhydrazineC8H20N2
   656 3-QuinolinamineC9H8N2
   657 5-QuinolinamineC9H8N2
   658 6-QuinolinamineC9H8N2
   659 8-QuinolinamineC9H8N2
   660 2-(Diethylamino)-pentanenitrileC9H18N2
   661 2,2-BipyridylC10H8N2



DHf: 22.1 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.

  

1,4-Dimethyl-2,3-diaza-bicyclo[2.2.2]oct-2-ene
 H=22.08 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0                     0.0000
  C     1.55784690  1    0.0000000  0    0.0000000  0     1     0     0   0.0000
  C     1.54258766  1  109.5188592  1    0.0000000  0     2     1     0   0.0000
  C     1.55809391  1  109.5636136  1    0.1245349  1     3     2     1   0.0000
  C     1.55777788  1  108.0112285  1  -60.7978189  1     4     3     2   0.0000
  C     1.55765532  1  108.0535886  1   60.6600525  1     1     2     3   0.0000
  N     1.51953269  1  106.4697107  1 -114.0626730  1     1     2     6   0.0000
  N     1.23204032  1  116.4191067  1   57.5401135  1     7     1     2   0.0000
  C     1.51984205  1  112.9327308  1 -120.2672018  1     1     2     7   0.0000
  C     1.51978046  1  112.9509769  1 -125.6802820  1     4     3     5   0.0000
  H     1.10194501  1  109.7631519  1 -121.8816244  1     2     1     3   0.0000
  H     1.10398610  1  109.9097208  1 -116.4738335  1     2     1    11   0.0000
  H     1.10197644  1  110.8678940  1 -121.2444069  1     3     2     4   0.0000
  H     1.10404055  1  110.5639463  1 -117.5184098  1     3     2    13   0.0000
  H     1.10406307  1  109.8947057  1 -177.6692829  1     5     4     3   0.0000
  H     1.10197652  1  109.7615939  1  116.3791295  1     5     4    15   0.0000
  H     1.10407083  1  109.8899794  1  177.5283606  1     6     1     2   0.0000
  H     1.10202465  1  109.7564493  1 -116.3655385  1     6     1    17   0.0000
  H     1.09776516  1  111.3355076  1   58.1714653  1     9     1     2   0.0000
  H     1.09794952  1  111.2913961  1  118.3686155  1     9     1    19   0.0000
  H     1.09382907  1  111.7760763  1  120.8133756  1     9     1    20   0.0000
  H     1.09793932  1  111.2911055  1 -177.2315109  1    10     4     3   0.0000
  H     1.09787322  1  111.3167348  1  118.2964164  1    10     4    22   0.0000
  H     1.09380609  1  111.7818939  1  120.8627355  1    10     4    23   0.0000