PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
m-toluidine
523 m-Toluidine
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ΔHf: 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