PM7 Accuracy Date:Mon Feb 11 04:20:05 2019

1,(1-piperidinyl) cyclohexanecarbonitrile    673 1,(1-Piperidinyl) cyclohexanecarbonitrile

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    #  Species Formula
   663 2,3-Dimethyl quinoxalineC10H10N2
   664 alpha N,N-dimethylamino phenylacetonitrileC10H12N2
   665 Ethyl(1,1-dimethylpropyl)malonodinitrileC10H16N2
   666 Meso-2,3-diethyl-2,3-dimethylsuccinodinitrileC10H16N2
   667 Methyl(1,1,2-trimethylpropyl)malonodinitrileC10H16N2
   668 PhenazineC12H8N2
   669 PhenazoneC12H8N2
   670 cis-AzobenzeneC12H10N2
   671 Diphenyl diazeneC12H10N2
   672 4,4'-Dimethyl-2,2'-bipyridineC12H12N2
   673 1,(1-Piperidinyl) cyclohexanecarbonitrile C12H20N2
   674 Li(I)(Cp)N2 (SIJNII) (Geo)H23LiC12N2
   675 Li(I)(Cp)N2 (SIJNII)H23LiC12N2
   676 a-Phenyl-1-piperidineacetonitrileC13H16N2
   677 Li(I)N2C5 (FAGCAR) (Geo)H25LiC14N2
   678 Li(I)N2C5 (FAGCAR)H25LiC14N2
   679 2,2'-BiquinolineC18H12N2
   680 TetraisobutylsuccinonitrileC20H36N2
   681 AzideN3
   682 Azide (Geo)N3
   683 Hydrazoic acidHN3


ΔHf: 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