PM7 Accuracy

phenazone    670 Phenazone

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    #  Species Formula
   660 2-(Diethylamino)-pentanenitrileC9H18N2
   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 Phenazone C12H8N2
   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-piperidineacetonitrileC13H16N2
   678 Li(I)N2C5 (FAGCAR) (Geo)H25LiC14N2
   679 Li(I)N2C5 (FAGCAR)H25LiC14N2
   680 2,2'-BiquinolineC18H12N2


DHf: 89.9 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
Phenazone
 H=89.9 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.38154230  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.40757421  1  120.7832551  1    0.0000000  0     2     1     0
  C     1.37987387  1  120.3054002  1   -0.0136353  1     3     2     1
  C     1.40954762  1  119.1932864  1   -0.0080467  1     4     3     2
  C     1.40788268  1  120.1462081  1    0.0322984  1     1     2     3
  N     1.41206681  1  118.0786051  1 -179.9788500  1     5     4     3
  N     1.24411162  1  121.8486101  1  179.9709336  1     7     5     4
  C     1.41201861  1  121.8487433  1    0.0039745  1     8     7     5
  C     1.41150823  1  120.9552988  1    0.0189987  1     9     8     7
  C     1.40782324  1  118.5980504  1  179.9893096  1    10     9     8
  C     1.38159432  1  120.1368514  1    0.0101361  1    11    10     9
  C     1.40749613  1  120.7962083  1   -0.0034448  1    12    11    10
  C     1.37994153  1  120.3028257  1   -0.0034441  1    13    12    11
  H     1.08929831  1  120.1902952  1  179.9797757  1     1     2     6
  H     1.09038249  1  120.0837352  1  179.9862805  1     2     1     3
  H     1.08952310  1  119.3272806  1 -179.9999873  1     3     2     4
  H     1.09190843  1  121.7742797  1 -179.9940183  1     4     3     5
  H     1.08932874  1  119.6783127  1  179.9953747  1    11    10    12
  H     1.09037397  1  120.0761263  1  179.9983464  1    12    11    13
  H     1.08952572  1  119.3339716  1 -179.9980379  1    13    12    14
  H     1.09186952  1  121.7747547  1 -179.9942399  1    14    13    12