PM7 Accuracy

p-toluidine    526 p-Toluidine

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    #  Species Formula
   516 TriethylamineC6H15N
   517 Trimethylborane-TrimethylamineH18BC6N
   518 Phenyl cyanideC7H5N
   519 1-CyclohexenecarbonitrileC7H9N
   520 2,6-DimethylpyridineC7H9N
   521 2-CyclohexenecarbonitrileC7H9N
   522 BenzylamineC7H9N
   523 m-ToluidineC7H9N
   524 N-MethylanilineC7H9N
   525 o-ToluidineC7H9N
   526 p-Toluidine C7H9N
   527 CyanocyclohexaneC7H11N
   528 CyclohexanecarbonitrileC7H11N
   529 Hexahydro-1H-pyrrolizineC7H13N
   530 n-HeptanenitrileC7H13N
   531 IsopropylbutylamineC7H17N
   532 1-NorbornylcyanideC8H11N
   533 1-NorbornylisocyanideC8H11N
   534 5-Ethyl-2-methyl-pyridineC8H11N
   535 N,N-Dimethyl anilineC8H11N
   536 N-Ethyl anilineC8H11N


DHf: 10.0 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
p-Toluidine
 H=9.99 HR=NIST S=82.93 CP=30.16
  N    -0.00671782  1   0.00010712  1  -0.02655385  1
  C     1.34445163  1  -0.35359480  1  -0.10542549  1
  C     1.71602608  1  -1.70934667  1  -0.11785882  1
  C     3.06294330  1  -2.05104662  1  -0.12099420  1
  C     4.04989047  1  -1.06333425  1  -0.11627846  1
  C     3.67345051  1   0.28303193  1  -0.10297640  1
  C     2.33370871  1   0.64671589  1  -0.09962871  1
  C     5.49606117  1  -1.42854859  1  -0.12066916  1
  H    -0.26114974  1   0.93565800  1  -0.26478631  1
  H    -0.68603281  1  -0.68914498  1  -0.27332017  1
  H     0.95657461  1  -2.48428611  1  -0.11272288  1
  H     3.34709873  1  -3.10241395  1  -0.12709074  1
  H     4.43983436  1   1.05701406  1  -0.09492963  1
  H     2.05136774  1   1.69413986  1  -0.08020286  1
  H     6.01067389  1  -1.01864140  1  -1.00205048  1
  H     6.00881926  1  -1.03597952  1   0.76981456  1
  H     5.65832737  1  -2.51418201  1  -0.13129886  1