Accuracy

n-pentylmalonodinitrile    645 n-Pentylmalonodinitrile

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    #  Species Formula
   635 t-ButylmalononitrileC7H10N2
   636 Trimethyl pyrazineC7H10N2
   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-Pentylmalonodinitrile C8H12N2
   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-butyldiazeneC8H18N2
   651 Di-tert-butyldiazeneC8H18N2
   652 1,2-DibutylhydrazineC8H20N2
   653 3-QuinolinamineC9H8N2
   654 5-QuinolinamineC9H8N2
   655 6-QuinolinamineC9H8N2


ΔHf: 32.5 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
n-Pentylmalonodinitrile
 H=32.45 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.52851061 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.53478611 +1  110.8085657 +1    0.0000000 +0     2     1     0
  C     1.53412545 +1  110.5143678 +1 -179.4597686 +1     3     2     1
  C     1.53125887 +1  110.3162836 +1 -179.5797300 +1     4     3     2
  C     1.54954971 +1  110.8859854 +1 -179.1002438 +1     5     4     3
  C     1.45435526 +1  110.3965387 +1  -68.0182308 +1     6     5     4
  N     1.15523579 +1  143.6321374 +1 -178.8683170 +1     7     5     6
  C     1.45418753 +1  109.8249940 +1 -121.6256110 +1     6     5     7
  N     1.15520605 +1  143.3083586 +1  178.7607321 +1     9     5     6
  H     1.09590316 +1  111.5027518 +1  -59.9762148 +1     1     2     3
  H     1.09557412 +1  111.5432786 +1  120.2761069 +1     1     2    11
  H     1.09598554 +1  111.2026868 +1  119.8821454 +1     1     2    12
  H     1.10626499 +1  109.9240584 +1 -121.9939801 +1     2     1     3
  H     1.10685514 +1  109.9017271 +1 -116.1328985 +1     2     1    14
  H     1.10603319 +1  109.8947252 +1  122.0199114 +1     3     2     4
  H     1.10656516 +1  109.8038357 +1  116.1112622 +1     3     2    16
  H     1.10652660 +1  109.7981995 +1 -122.1479075 +1     4     3     5
  H     1.10826480 +1  109.7325281 +1 -115.9984872 +1     4     3    18
  H     1.10862339 +1  110.1070491 +1  121.4045281 +1     5     4     6
  H     1.10840767 +1  110.3516697 +1  116.3353358 +1     5     4    20
  H     1.13765859 +1  108.4430862 +1 -118.9331719 +1     6     5     9