Accuracy

phenazone    667 Phenazone

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    #  Species Formula
   657 2-(Diethylamino)-pentanenitrileC9H18N2
   658 2,2-BipyridylC10H8N2
   659 2,4-BipyridylC10H8N2
   660 4,4'-BipyridineC10H8N2
   661 2,3-Dimethyl quinoxalineC10H10N2
   662 alpha N,N-dimethylamino phenylacetonitrileC10H12N2
   663 Ethyl(1,1-dimethylpropyl)malonodinitrileC10H16N2
   664 Meso-2,3-diethyl-2,3-dimethylsuccinodinitrileC10H16N2
   665 Methyl(1,1,2-trimethylpropyl)malonodinitrileC10H16N2
   666 PhenazineC12H8N2
   667 Phenazone C12H8N2
   668 cis-AzobenzeneC12H10N2
   669 Diphenyl diazeneC12H10N2
   670 4,4'-Dimethyl-2,2'-bipyridineC12H12N2
   671 1,(1-Piperidinyl) cyclohexanecarbonitrileC12H20N2
   672 Li(I)(Cp)N2 (SIJNII) (Geo)H23LiC12N2
   673 Li(I)(Cp)N2 (SIJNII)H23LiC12N2
   674 a-Phenyl-1-piperidineacetonitrileC13H16N2
   675 Li(I)N2C5 (FAGCAR) (Geo)H25LiC14N2
   676 Li(I)N2C5 (FAGCAR)H25LiC14N2
   677 2,2'-BiquinolineC18H12N2


ΔHf: 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