PM7 Accuracy

tetramethylpyrazine    650 Tetramethylpyrazine

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    #  Species Formula
   640 1-PiperidineacetonitrileC7H12N2
   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 Tetramethylpyrazine C8H12N2
   651 1,4-Dimethyl-2,3-diaza-bicyclo[2.2.2]oct-2-eneC8H14N2
   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


DHf: 13.1 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.
  
 PM7
Tetramethylpyrazine
 H=13.1 HR=NIST
  N     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.34253296  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.42139536  1  120.2950061  1    0.0000000  0     2     1     0
  N     1.34233526  1  120.2549200  1    0.0421926  1     3     2     1
  C     1.35046522  1  119.5102319  1   -0.0174423  1     4     3     2
  C     1.41559699  1  120.2356326  1   -0.0304958  1     5     4     3
  C     1.49026745  1  124.3028978  1 -179.8978930  1     6     5     4
  C     1.49032212  1  115.5580387  1 -179.9088360  1     5     4     6
  C     1.48896046  1  117.5019715  1  179.9981236  1     2     1     3
  C     1.48887050  1  122.2370760  1 -179.9792540  1     3     2     4
  H     1.10327660  1  110.8092781  1 -120.2267901  1     7     6     5
  H     1.10349963  1  110.7939518  1 -117.5613003  1     7     6    11
  H     1.09631563  1  113.3604443  1 -121.1023676  1     7     6    12
  H     1.10325692  1  110.7839165  1   60.9904756  1     8     5     4
  H     1.10362500  1  110.8115219  1 -117.5291590  1     8     5    14
  H     1.09628359  1  113.3607803  1 -121.1035963  1     8     5    15
  H     1.09998047  1  111.3941332  1  119.9099012  1     9     2     1
  H     1.09999649  1  111.4006907  1  120.5685770  1     9     2    17
  H     1.10411142  1  111.6137433  1  119.7151685  1     9     2    18
  H     1.09995248  1  111.4027686  1  -59.8841518  1    10     3     2
  H     1.09996451  1  111.3800296  1  120.5680241  1    10     3    20
  H     1.10412077  1  111.6152972  1  119.7012172  1    10     3    21