PM7 Accuracy

2-(diethylamino)-pentanenitrile    660 2-(Diethylamino)-pentanenitrile

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    #  Species Formula
   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
   659 8-QuinolinamineC9H8N2
   660 2-(Diethylamino)-pentanenitrile C9H18N2
   661 2,2-BipyridylC10H8N2
   662 2,4-BipyridylC10H8N2
   663 4,4'-BipyridineC10H8N2
   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


DHf: -1.1 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
2-(Diethylamino)-pentanenitrile
 H=-1.1 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.52795058  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.53257935  1  110.4215289  1    0.0000000  0     2     1     0
  C     1.54940076  1  110.7937033  1 -179.0330305  1     3     2     1
  C     1.46398118  1  109.2768741  1   70.5596491  1     4     3     2
  N     1.15585257  1  143.2460277  1  178.7300434  1     5     3     4
  N     1.47949440  1  115.6615332  1  121.8319593  1     4     3     5
  C     1.48394033  1  113.0301880  1  -52.0044647  1     7     4     3
  C     1.53422206  1  108.8790895  1 -152.3317631  1     8     7     4
  C     1.48231239  1  112.2422706  1  128.0838606  1     7     4     8
  C     1.53401785  1  109.8246876  1   73.9250667  1    10     7     4
  H     1.09558539  1  111.6235283  1  -59.8512699  1     1     2     3
  H     1.09624489  1  111.5104877  1  120.4380042  1     1     2    12
  H     1.09634569  1  111.1869876  1  119.6643546  1     1     2    13
  H     1.10639568  1  110.0489186  1  121.9988079  1     2     1     3
  H     1.10838249  1  109.8866969  1  116.3147458  1     2     1    15
  H     1.10582932  1  110.1268784  1 -121.1728761  1     3     2     4
  H     1.10566564  1  110.1646542  1 -116.2870710  1     3     2    17
  H     1.13297687  1  108.6422731  1  120.4637720  1     4     3     7
  H     1.11019192  1  112.6812765  1 -122.9841097  1     8     7     9
  H     1.11364728  1  109.2349919  1 -118.4055293  1     8     7    20
  H     1.09404835  1  112.2642481  1  -69.3867078  1     9     8     7
  H     1.09987201  1  110.3478550  1  119.2732582  1     9     8    22
  H     1.09450953  1  110.9035761  1  119.5909606  1     9     8    23
  H     1.11428702  1  108.1758927  1  118.7558369  1    10     7    11
  H     1.11101897  1  112.8675631  1  117.5856153  1    10     7    25
  H     1.09390898  1  112.4837532  1  -73.3213411  1    11    10     7
  H     1.09988518  1  110.3849002  1  119.7849775  1    11    10    27
  H     1.09469709  1  110.8563303  1  119.4013938  1    11    10    28