PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
p-tolyl methyl sulfone
2153 p-Tolyl methyl sulfone
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ΔHf: -65.3 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-Tolyl methyl sulfone
H=-65.27 HR=NIST
C 0.02529576 +1 0.05475994 +1 0.01439253 +1
C 1.41860127 +1 0.05753630 +1 0.04976991 +1
C 2.11386383 +1 1.26300201 +1 0.02617775 +1
C 1.41652011 +1 2.47470460 +1 -0.01978272 +1
C 0.01944613 +1 2.46750442 +1 -0.03521673 +1
C -0.67325407 +1 1.25930176 +1 -0.01186211 +1
S -0.85332767 +1 -1.47402264 +1 0.02645191 +1
O 0.00552491 +1 -2.47629490 +1 0.62371784 +1
O -2.18048072 +1 -1.22138647 +1 0.55002114 +1
H 1.98159255 +1 -0.88164556 +1 0.11158841 +1
H 3.20077848 +1 1.26368508 +1 0.05104001 +1
H -0.56003587 +1 -2.85523633 +1 -1.92804930 +1
H -0.52927272 +1 3.40621204 +1 -0.05897137 +1
H -1.76974322 +1 1.27362380 +1 0.00063020 +1
C -1.03192820 +1 -1.88959680 +1 -1.70329662 +1
C 2.16968656 +1 3.75945020 +1 -0.03455204 +1
H -0.58631950 +1 -1.14892633 +1 -2.37304163 +1
H -2.09061312 +1 -1.98211372 +1 -1.98062337 +1
H 1.52080457 +1 4.63653241 +1 -0.16259677 +1
H 2.72105709 +1 3.90485891 +1 0.90843789 +1
H 2.91036529 +1 3.78750464 +1 -0.84755669 +1