PM7 Accuracy

1-piperidineacetonitrile    640 1-Piperidineacetonitrile

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    #  Species Formula
   630 3(Dimethylamino) propanenitrileC6H12N2
   631 TetramethyldiazetineC6H12N2
   632 TriethylenediamineC6H12N2
   633 1,2-DiisopropyldiazeneC6H14N2
   634 DipropyldiazeneC6H14N2
   635 1H-BenzimidazoleC7H6N2
   636 1H-IndazoleC7H6N2
   637 1-Methyl-1-phenylhydrazineC7H10N2
   638 t-ButylmalononitrileC7H10N2
   639 Trimethyl pyrazineC7H10N2
   640 1-Piperidineacetonitrile C7H12N2
   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-PentylmalonodinitrileC8H12N2
   649 TetramethylbutanedinitrileC8H12N2
   650 TetramethylpyrazineC8H12N2


DHf: 19.8 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
1-Piperidineacetonitrile
 H=19.8 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.53192388  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.53944992  1  110.3936384  1    0.0000000  0     2     1     0
  N     1.48452358  1  109.2594035  1  -58.3994243  1     3     2     1
  C     1.48471406  1  111.2816508  1   61.2790332  1     4     3     2
  C     1.53204471  1  109.1660058  1   56.4942469  1     1     2     3
  C     1.48643485  1  110.8465697  1  123.2063241  1     4     3     5
  C     1.45593101  1  108.7309528  1   71.9882695  1     7     4     3
  N     1.15601650  1  144.2707068  1 -179.7256210  1     8     4     7
  H     1.10515464  1  110.3452548  1  121.4191382  1     1     2     6
  H     1.10518215  1  110.4476170  1  116.9040538  1     1     2    10
  H     1.10874145  1  109.7644354  1 -120.6294592  1     2     1     3
  H     1.10393415  1  110.9169177  1 -117.3679486  1     2     1    12
  H     1.11308989  1  109.3100476  1 -118.1238824  1     3     2     4
  H     1.11022200  1  110.0434452  1 -117.5843048  1     3     2    14
  H     1.11187047  1  108.2415953  1  179.8169087  1     5     4     3
  H     1.11022450  1  112.8157161  1 -118.7968076  1     5     4    16
  H     1.10346529  1  110.9037034  1 -178.7420671  1     6     1     2
  H     1.10848468  1  109.8363639  1 -117.5160893  1     6     1    18
  H     1.12237735  1  108.5874648  1  118.6995282  1     7     4     8
  H     1.11893011  1  113.5464665  1  118.1414932  1     7     4    20