PM7 Accuracy

phthalazine    645 Phthalazine

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    #  Species Formula
   635 1H-BenzimidazoleC7H6N2
   636 1H-IndazoleC7H6N2
   637 1-Methyl-1-phenylhydrazineC7H10N2
   638 t-ButylmalononitrileC7H10N2
   639 Trimethyl pyrazineC7H10N2
   640 1-PiperidineacetonitrileC7H12N2
   641 3,3,5,5-Tetramethyl-1-pyrazolineC7H14N2
   642 m-DicyanobenzeneC8H4N2
   643 o-DicyanobenzeneC8H4N2
   644 p-DicyanobenzeneC8H4N2
   645 Phthalazine C8H6N2
   646 QuinazolineC8H6N2
   647 QuinoxalineC8H6N2
   648 n-PentylmalonodinitrileC8H12N2
   649 TetramethylbutanedinitrileC8H12N2
   650 TetramethylpyrazineC8H12N2
   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


DHf: 78.8 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
Phthalazine
 H=78.85 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.37388435  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.41692703  1  120.5759981  1    0.0000000  0     2     1     0
  C     1.37386919  1  120.6210131  1   -0.0211798  1     3     2     1
  C     1.41551969  1  119.6418718  1   -0.0082883  1     4     3     2
  C     1.41063431  1  119.7408575  1    0.0139366  1     5     4     3
  C     1.43209610  1  116.7593931  1 -179.9976984  1     6     5     4
  N     1.32889971  1  121.9562050  1    0.0017822  1     7     6     5
  N     1.32033286  1  121.2773749  1   -0.0034077  1     8     7     6
  C     1.32894750  1  121.2993407  1   -0.0016264  1     9     8     7
  H     1.08964401  1  121.1427158  1 -179.9809181  1     1     2     3
  H     1.09057003  1  120.6298260  1  179.9857134  1     2     1     3
  H     1.09065013  1  118.7694367  1 -179.9986136  1     3     2     4
  H     1.08963865  1  121.1523577  1 -179.9980869  1     4     3     5
  H     1.09479628  1  120.9920347  1  179.9976683  1     7     6     8
  H     1.09480556  1  117.0522219  1 -179.9973979  1    10     9     8