Accuracy

tetramethylpyrazine    647 Tetramethylpyrazine

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    #  Species Formula
   637 1-PiperidineacetonitrileC7H12N2
   638 3,3,5,5-Tetramethyl-1-pyrazolineC7H14N2
   639 m-DicyanobenzeneC8H4N2
   640 o-DicyanobenzeneC8H4N2
   641 p-DicyanobenzeneC8H4N2
   642 PhthalazineC8H6N2
   643 QuinazolineC8H6N2
   644 QuinoxalineC8H6N2
   645 n-PentylmalonodinitrileC8H12N2
   646 TetramethylbutanedinitrileC8H12N2
   647 Tetramethylpyrazine C8H12N2
   648 1,4-Dimethyl-2,3-diaza-bicyclo[2.2.2]oct-2-eneC8H14N2
   649 3,4,5,6-Tetrahydro-3,3,6,6-tetramethylpyridazineC8H16N2
   650 Di-n-butyldiazeneC8H18N2
   651 Di-tert-butyldiazeneC8H18N2
   652 1,2-DibutylhydrazineC8H20N2
   653 3-QuinolinamineC9H8N2
   654 5-QuinolinamineC9H8N2
   655 6-QuinolinamineC9H8N2
   656 8-QuinolinamineC9H8N2
   657 2-(Diethylamino)-pentanenitrileC9H18N2


ΔHf: 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