PM7 Accuracy

triphenylamine    586 Triphenylamine

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    #  Species Formula
   576 6,7-BenzoquinolineC13H9N
   577 a-BenzoquinolineC13H9N
   578 AcridineC13H9N
   579 Benzo[f]quinolineC13H9N
   580 PhenanthridineC13H9N
   581 N-MethylcarbazoleC13H11N
   582 1,2,3,4-Tetrahydro-N-methylcarbazoleC13H15N
   583 9-Ethyl-9H-carbazoleC14H13N
   584 TetradecanenitrileC14H27N
   585 DioctylamineC16H35N
   586 Triphenylamine C18H15N
   587 TrioctylamineC24H51N
   588 Nitrogen (Geo)N2
   589 NitrogenN2
   590 DiazeneH2N2
   591 HydrazineH4N2
   592 BH3-NH3, dimer (Geo)H12B2N2
   593 DiazomethaneCH2N2
   594 N=N-CH2-CH2N2
   595 MethylhydrazineCH6N2
   596 Cyanogen (Geo)C2N2


DHf: 78.1 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
Triphenylamine
 H=78.1 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.39027400  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.39411484  1  120.4769959  1    0.0000000  0     2     1     0
  C     1.39428149  1  119.8766992  1    0.0526673  1     3     2     1
  C     1.39001624  1  120.5150506  1    0.1916541  1     4     3     2
  C     1.40410322  1  119.4419098  1   -0.2651014  1     5     4     3
  N     1.41604844  1  119.7516756  1  179.8937763  1     6     5     4
  C     1.41578148  1  119.9164731  1   39.4143682  1     7     6     5
  C     1.40427719  1  119.7431112  1 -143.9576717  1     8     7     6
  C     1.40400760  1  120.0563102  1  179.6755594  1     8     7     9
  C     1.39030084  1  119.4493698  1 -179.5264672  1    10     8     7
  C     1.39402365  1  120.5161789  1   -0.3238776  1    11    10     8
  C     1.39421885  1  119.8660894  1    0.2133048  1    12    11    10
  C     1.41546202  1  119.9786126  1  177.0381163  1     7     6     8
  C     1.40432027  1  119.7252201  1   38.4926301  1    14     7     6
  C     1.39002245  1  119.4505145  1  179.8922038  1    15    14     7
  C     1.39407511  1  120.5192325  1   -0.3110858  1    16    15    14
  C     1.39413431  1  119.8593865  1    0.2125265  1    17    16    15
  C     1.39025569  1  120.5113103  1    0.1101561  1    18    17    16
  H     1.08842097  1  120.3717705  1  179.3662568  1     1     2     3
  H     1.08934095  1  119.5870719  1 -179.7734069  1     2     1     3
  H     1.08641168  1  120.0828783  1 -179.9494509  1     3     2     4
  H     1.08940979  1  119.8846883  1  179.7047212  1     4     3     5
  H     1.08841139  1  120.4676858  1  179.5915074  1     5     4     6
  H     1.08839682  1  120.1018081  1    0.2468025  1     9     8     7
  H     1.08829445  1  120.1750296  1 -179.5857127  1    10     8    11
  H     1.08942912  1  119.5631726  1 -179.6713968  1    11    10    12
  H     1.08638615  1  120.0792933  1 -179.9977509  1    12    11    13
  H     1.08939091  1  119.8988202  1  179.8542672  1    13    12    11
  H     1.08837905  1  120.1209184  1 -179.5545493  1    15    14    16
  H     1.08945732  1  119.5616936  1 -179.6954348  1    16    15    17
  H     1.08636438  1  120.0835498  1  179.9585794  1    17    16    18
  H     1.08933766  1  119.9107379  1  179.7135230  1    18    17    19
  H     1.08835704  1  120.3670715  1  179.2321789  1    19    18    17