PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
o-toluidine
525 o-Toluidine
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ΔHf: 12.7 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
o-Toluidine
H=12.7 HR=NIST S=83.89 CP=31.11
C -0.02128861 +1 0.00273958 +1 -0.01952044 +1
C -0.08864217 +1 -1.48696340 +1 -0.02916618 +1
C -0.72841546 +1 -2.16257845 +1 1.00565422 +1
C -0.81684421 +1 -3.55436158 +1 1.01183117 +1
C -0.26445859 +1 -4.28713442 +1 -0.03532316 +1
C 0.38545294 +1 -3.63924668 +1 -1.07932107 +1
C 0.48336284 +1 -2.23677476 +1 -1.08156553 +1
N 1.09134419 +1 -1.60100321 +1 -2.17163123 +1
H 1.01024638 +1 0.36181066 +1 0.10091355 +1
H -0.42560622 +1 0.42934015 +1 -0.95012036 +1
H -0.60684444 +1 0.44013783 +1 0.80180097 +1
H -1.16639636 +1 -1.59653532 +1 1.82688497 +1
H -1.31559720 +1 -4.06305019 +1 1.83095713 +1
H -0.33665271 +1 -5.37358288 +1 -0.03701452 +1
H 0.80993867 +1 -4.21486288 +1 -1.89573999 +1
H 1.42178307 +1 -0.66689347 +1 -2.04288475 +1
H 1.67102354 +1 -2.15971843 +1 -2.76525749 +1