PM7 Accuracy

a-phenyl-1-piperidineacetonitrile    677 a-Phenyl-1-piperidineacetonitrile

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    #  Species Formula
   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) cyclohexanecarbonitrileC12H20N2
   675 Li(I)(Cp)N2 (SIJNII) (Geo)H23LiC12N2
   676 Li(I)(Cp)N2 (SIJNII)H23LiC12N2
   677 a-Phenyl-1-piperidineacetonitrile C13H16N2
   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
   685 BorazoleH6B3N3
   686 Borazole (Geo)H6B3N3
   687 Methyl AzideCH3N3


DHf: 45.4 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
a-Phenyl-1-piperidineacetonitrile
 H=45.43 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.39155507  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.39461090  1  119.9963146  1    0.0000000  0     2     1     0
  C     1.39281496  1  119.9075944  1   -0.0733673  1     3     2     1
  C     1.39436803  1  120.2575064  1   -0.0609092  1     4     3     2
  C     1.39351495  1  119.8153287  1    0.0994578  1     5     4     3
  C     1.51695734  1  122.3499188  1  179.2141685  1     6     5     4
  N     1.48330747  1  109.4614775  1  128.6110242  1     7     6     5
  C     1.48429791  1  112.1814976  1  -63.7379257  1     8     7     6
  C     1.53852065  1  109.0968923  1  173.0561380  1     9     8     7
  C     1.53242236  1  110.2556078  1   58.7321450  1    10     9     8
  C     1.53245484  1  109.1753578  1  -56.7772464  1    11    10     9
  C     1.48538228  1  111.2390392  1 -125.4498570  1     8     7     9
  C     1.46574919  1  112.2164127  1 -126.2268031  1     7     6     8
  N     1.15593194  1  146.9872275  1 -179.1435258  1    14     6     7
  H     1.09183153  1  120.3417625  1  179.0434611  1     1     2     3
  H     1.08787871  1  119.9002544  1 -179.9229764  1     2     1     3
  H     1.08771987  1  120.0306675  1 -179.9651357  1     3     2     4
  H     1.08869364  1  120.0450973  1 -179.9397825  1     4     3     5
  H     1.08976163  1  119.1234369  1 -179.9953539  1     5     4     6
  H     1.13833139  1  107.2117703  1 -118.4691531  1     7     6    14
  H     1.11321667  1  108.2708131  1 -119.2091380  1     9     8    10
  H     1.11115794  1  112.5037035  1 -118.2119597  1     9     8    22
  H     1.10420687  1  109.7280768  1  122.4003718  1    10     9    11
  H     1.10773026  1  109.4893903  1  116.5385398  1    10     9    24
  H     1.10480994  1  110.3739931  1 -121.4902437  1    11    10    12
  H     1.10564706  1  110.4106452  1 -116.9372180  1    11    10    26
  H     1.10390338  1  110.8300743  1  178.6430898  1    12    11    10
  H     1.10786521  1  109.8098641  1  117.4347559  1    12    11    28
  H     1.11147656  1  112.5809799  1   65.1241745  1    13     8     7
  H     1.11156414  1  108.3651914  1 -118.6032098  1    13     8    30