PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
dimethyl sulfone
2140 Dimethyl sulfone
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ΔHf: -89.1 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
Dimethyl sulfone
H=-89.1 HR=NIST S=74.24 CP=23.9
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
S 1.78475890 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.78505544 +1 104.7731889 +1 0.0000000 +0 2 1 0
O 1.44681191 +1 107.5705686 +1 114.2827673 +1 2 1 3
O 1.44679223 +1 107.5603527 +1 -114.2167736 +1 2 1 3
H 1.09972817 +1 110.5345340 +1 -179.9463163 +1 1 2 3
H 1.09435001 +1 112.5276850 +1 61.4487372 +1 1 2 3
H 1.09435439 +1 112.5387374 +1 -61.3309973 +1 1 2 3
H 1.09973176 +1 110.4925276 +1 179.9131914 +1 3 2 1
H 1.09423874 +1 112.5491857 +1 61.2993576 +1 3 2 1
H 1.09426031 +1 112.5194287 +1 -61.4986120 +1 3 2 1