PM7 Accuracy

quinazoline    646 Quinazoline

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    #  Species Formula
   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 PhthalazineC8H6N2
   646 Quinazoline C8H6N2
   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
   656 3-QuinolinamineC9H8N2


DHf: 58.1 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
Quinazoline
 H=58.10 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.37079962  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.41926216  1  120.8996597  1    0.0000000  0     2     1     0
  C     1.37242116  1  120.6659440  1   -0.0037958  1     3     2     1
  C     1.41521953  1  119.7953221  1   -0.0033451  1     4     3     2
  C     1.41812854  1  119.5339101  1    0.0005575  1     5     4     3
  N     1.37769929  1  120.7429147  1 -179.9916040  1     6     5     4
  C     1.32394573  1  118.0619952  1    0.0001836  1     7     6     5
  N     1.38297250  1  124.8563172  1   -0.0004412  1     8     7     6
  C     1.32073591  1  118.0462009  1    0.0035288  1     9     8     7
  H     1.09122738  1  122.3171971  1 -179.9974023  1     1     2     3
  H     1.09126653  1  120.4853213  1  179.9972529  1     2     1     3
  H     1.08978622  1  118.6452665  1  179.9995834  1     3     2     4
  H     1.08989224  1  121.1344835  1  179.9987257  1     4     3     5
  H     1.10194506  1  119.0183989  1 -179.9998728  1     8     7     9
  H     1.09839534  1  117.4346314  1 -179.9986865  1    10     9     8