Accuracy

di-n-butyldiazene    650 Di-n-butyldiazene

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    #  Species Formula
   640 o-DicyanobenzeneC8H4N2
   641 p-DicyanobenzeneC8H4N2
   642 PhthalazineC8H6N2
   643 QuinazolineC8H6N2
   644 QuinoxalineC8H6N2
   645 n-PentylmalonodinitrileC8H12N2
   646 TetramethylbutanedinitrileC8H12N2
   647 TetramethylpyrazineC8H12N2
   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-butyldiazene C8H18N2
   651 Di-tert-butyldiazeneC8H18N2
   652 1,2-DibutylhydrazineC8H20N2
   653 3-QuinolinamineC9H8N2
   654 5-QuinolinamineC9H8N2
   655 6-QuinolinamineC9H8N2
   656 8-QuinolinamineC9H8N2
   657 2-(Diethylamino)-pentanenitrileC9H18N2
   658 2,2-BipyridylC10H8N2
   659 2,4-BipyridylC10H8N2
   660 4,4'-BipyridineC10H8N2


ΔHf: 2.2 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
Di-n-butyldiazene
 H=2.19 HR=NIST
  C    -0.02655367 +1  -0.00720727 +1   0.00052554 +1
  C     1.49699033 +1  -0.09918480 +1   0.09025722 +1
  C     2.11663347 +1   1.29918570 +1   0.18443311 +1
  C     3.65079855 +1   1.20476750 +1   0.25056405 +1
  N     4.17233213 +1   2.56002025 +1   0.50525543 +1
  N     4.98193098 +1   2.99041928 +1  -0.33480341 +1
  C     5.50211876 +1   4.34644837 +1  -0.08026121 +1
  C     7.03621809 +1   4.25415661 +1  -0.01052773 +1
  C     7.65300419 +1   5.65398415 +1   0.08340139 +1
  C     9.17644547 +1   5.56503488 +1   0.17763731 +1
  H    -0.45043153 +1   0.50114712 +1   0.87424260 +1
  H    -0.34396152 +1   0.54813203 +1  -0.88933906 +1
  H    -0.48225834 +1  -1.00203560 +1  -0.05337067 +1
  H     1.78609505 +1  -0.70477705 +1   0.97043459 +1
  H     1.89416830 +1  -0.63503203 +1  -0.79307248 +1
  H     1.73325838 +1   1.83240818 +1   1.07695234 +1
  H     1.81404897 +1   1.91385960 +1  -0.68471554 +1
  H     3.96912260 +1   0.57634520 +1   1.11405788 +1
  H     4.05498711 +1   0.72640418 +1  -0.66771609 +1
  H     5.18510186 +1   4.97287770 +1  -0.94545753 +1
  H     5.09509449 +1   4.82565809 +1   0.83631038 +1
  H     7.33806572 +1   3.64055214 +1   0.85932148 +1
  H     7.42223974 +1   3.72114713 +1  -0.90192475 +1
  H     7.36540464 +1   6.25740919 +1  -0.79864652 +1
  H     7.25201536 +1   6.19039528 +1   0.96454108 +1
  H     9.49230125 +1   5.00717577 +1   1.06648238 +1
  H     9.60402562 +1   5.06070354 +1  -0.69648152 +1
  H     9.62981039 +1   6.56071601 +1   0.23673088 +1