PM7 Accuracy

m-toluidine    523 m-Toluidine

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    #  Species Formula
   513 CyclohexanamineC6H13N
   514 Di-n-propylamineC6H15N
   515 DiiospropylamineC6H15N
   516 TriethylamineC6H15N
   517 Trimethylborane-TrimethylamineH18BC6N
   518 Phenyl cyanideC7H5N
   519 1-CyclohexenecarbonitrileC7H9N
   520 2,6-DimethylpyridineC7H9N
   521 2-CyclohexenecarbonitrileC7H9N
   522 BenzylamineC7H9N
   523 m-Toluidine C7H9N
   524 N-MethylanilineC7H9N
   525 o-ToluidineC7H9N
   526 p-ToluidineC7H9N
   527 CyanocyclohexaneC7H11N
   528 CyclohexanecarbonitrileC7H11N
   529 Hexahydro-1H-pyrrolizineC7H13N
   530 n-HeptanenitrileC7H13N
   531 IsopropylbutylamineC7H17N
   532 1-NorbornylcyanideC8H11N
   533 1-NorbornylisocyanideC8H11N


DHf: 14.6 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
m-Toluidine
 H=14.6 HR=NIST S=84.25 CP=30.0
  N     0.00015709  1   0.00166097  1   0.06630189  1
  C     0.07265853  1  -1.38027892  1   0.06859819  1
  C    -1.11134862  1  -2.14396408  1   0.06264460  1
  C    -1.02063175  1  -3.52998393  1   0.05188114  1
  C     0.21771793  1  -4.16640585  1   0.04805942  1
  C     1.39223384  1  -3.40504204  1   0.05525180  1
  C     1.33000700  1  -2.01579728  1   0.06642830  1
  C     2.71347708  1  -4.09972677  1   0.05081116  1
  H     0.82172004  1   0.55718947  1   0.09444226  1
  H    -0.87624100  1   0.46669809  1   0.09166447  1
  H    -2.07809055  1  -1.65633302  1   0.06475231  1
  H    -1.93275330  1  -4.12736048  1   0.04620807  1
  H     0.27301232  1  -5.24936873  1   0.03942252  1
  H     2.23740333  1  -1.42417434  1   0.07139587  1
  H     2.82082274  1  -4.75009149  1   0.93182735  1
  H     2.82143247  1  -4.73735454  1  -0.83945458  1
  H     3.56195685  1  -3.40402761  1   0.05602233  1