PM7 Accuracy

1,(1-piperidinyl) cyclohexanecarbonitrile    674 1,(1-Piperidinyl) cyclohexanecarbonitrile

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    #  Species Formula
   664 2,3-Dimethyl quinoxalineC10H10N2
   665 alpha N,N-dimethylamino phenylacetonitrileC10H12N2
   666 Ethyl(1,1-dimethylpropyl)malonodinitrileC10H16N2
   667 Meso-2,3-diethyl-2,3-dimethylsuccinodinitrileC10H16N2
   668 Methyl(1,1,2-trimethylpropyl)malonodinitrileC10H16N2
   669 PhenazineC12H8N2
   670 PhenazoneC12H8N2
   671 cis-AzobenzeneC12H10N2
   672 Diphenyl diazeneC12H10N2
   673 4,4'-Dimethyl-2,2'-bipyridineC12H12N2
   674 1,(1-Piperidinyl) cyclohexanecarbonitrile C12H20N2
   675 Li(I)(Cp)N2 (SIJNII) (Geo)H23LiC12N2
   676 Li(I)(Cp)N2 (SIJNII)H23LiC12N2
   677 a-Phenyl-1-piperidineacetonitrileC13H16N2
   678 Li(I)N2C5 (FAGCAR) (Geo)H25LiC14N2
   679 Li(I)N2C5 (FAGCAR)H25LiC14N2
   680 2,2'-BiquinolineC18H12N2
   681 TetraisobutylsuccinonitrileC20H36N2
   682 AzideN3
   683 Azide (Geo)N3
   684 Hydrazoic acidHN3


DHf: 0.8 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,(1-Piperidinyl) cyclohexanecarbonitrile
 H=0.84 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.53106928  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.53108643  1  110.8491804  1    0.0000000  0     2     1     0
  C     1.55429940  1  111.9839392  1  -57.6729890  1     3     2     1
  C     1.55456375  1  108.7343175  1   54.7970178  1     4     3     2
  C     1.53102842  1  109.7397602  1   58.1445338  1     1     2     3
  N     1.49029116  1  109.1446606  1  119.0535286  1     4     3     5
  C     1.48850608  1  112.8071879  1 -176.9300178  1     7     4     3
  C     1.54026817  1  109.4941794  1  171.4557419  1     8     7     4
  C     1.53082063  1  110.4104612  1   59.7692262  1     9     8     7
  C     1.53086106  1  108.6916918  1  -56.4160614  1    10     9     8
  C     1.48855806  1  112.7092365  1 -124.3849713  1     7     4     8
  C     1.47228946  1  109.0447180  1  122.2926356  1     4     3     7
  N     1.15589264  1  143.7542218  1  179.0478493  1    13     3     4
  H     1.10620855  1  110.2135233  1 -121.5472429  1     1     2     6
  H     1.10545144  1  110.2951935  1 -116.7470945  1     1     2    15
  H     1.10637881  1  110.2315715  1  121.6362619  1     2     1     3
  H     1.10795622  1  109.9943437  1  116.2137794  1     2     1    17
  H     1.10907072  1  110.4320678  1  120.5665282  1     3     2     4
  H     1.10618360  1  109.1912584  1  116.4226882  1     3     2    19
  H     1.10911167  1  108.1109549  1   66.9391849  1     5     4     3
  H     1.10590382  1  110.7404965  1  116.0954666  1     5     4    21
  H     1.10641776  1  110.2166796  1 -179.7403464  1     6     1     2
  H     1.10781333  1  110.0718811  1 -116.2609931  1     6     1    23
  H     1.11068049  1  109.2258189  1 -118.6570870  1     8     7     9
  H     1.11155066  1  112.1743552  1 -118.7742703  1     8     7    25
  H     1.10401705  1  109.6755776  1  122.4926305  1     9     8    10
  H     1.10796825  1  109.3314612  1  116.5033462  1     9     8    27
  H     1.10468506  1  110.5299448  1 -121.4781901  1    10     9    11
  H     1.10574428  1  110.4973126  1 -117.0787679  1    10     9    29
  H     1.10392758  1  110.9193557  1  178.2792796  1    11    10     9
  H     1.10782031  1  109.9186086  1  117.6159528  1    11    10    31
  H     1.11170911  1  112.1566884  1   66.3952734  1    12     7     4
  H     1.11053314  1  109.2973454  1 -118.8673008  1    12     7    33