PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
diethyl sulfite
2173 Diethyl sulfite
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ΔHf: -131.9 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
Diethyl sulfite
H=-131.9 HR=NIST
O -0.05461185 +1 -0.00024959 +1 0.06735198 +1
S 1.45120907 +1 0.67351536 +1 0.21960719 +1
O 1.03687773 +1 2.25720556 +1 0.51847306 +1
C -0.87731041 +1 0.10864670 +1 -1.07087292 +1
C 0.95753888 +1 3.26436223 +1 -0.46114628 +1
O 2.03740220 +1 0.65561053 +1 -1.12252218 +1
C -1.97656416 +1 1.12614442 +1 -0.78441375 +1
C 2.34864050 +1 3.71470068 +1 -0.88893950 +1
H -1.28178339 +1 -0.91761256 +1 -1.18745025 +1
H -0.28704549 +1 0.36503755 +1 -1.97063540 +1
H 0.41077883 +1 4.06748476 +1 0.07625170 +1
H 0.35336853 +1 2.91636616 +1 -1.31917616 +1
H -2.64664863 +1 1.24363176 +1 -1.64165912 +1
H -1.56195957 +1 2.11082155 +1 -0.53726940 +1
H -2.57747624 +1 0.81818438 +1 0.08171038 +1
H 2.30336389 +1 4.63577343 +1 -1.47849862 +1
H 2.84757843 +1 2.95129464 +1 -1.50606443 +1
H 2.99029701 +1 3.90039090 +1 -0.01920073 +1