PM7 Accuracy

n-pentylmalonodinitrile    648 n-Pentylmalonodinitrile

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    #  Species Formula
   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 QuinazolineC8H6N2
   647 QuinoxalineC8H6N2
   648 n-Pentylmalonodinitrile C8H12N2
   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
   657 5-QuinolinamineC9H8N2
   658 6-QuinolinamineC9H8N2


DHf: 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