Accuracy

dimethyl sulfate   2181 Dimethyl sulfate

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    #  Species Formula
  2171 (CH3O)(C2H5O)SOC3H8O3S
  2172 Diethyl sulfiteC4H10O3S
  2173 Dipropyl sulfiteC6H14O3S
  2174 Di-n-butyl sulfiteC8H18O3S
  2175 Li(I)O3N (FOBHEJ) (Geo)H18LiC10NO3S
  2176 Li(I)O3N (FOBHEJ)H18LiC10NO3S
  2177 Sulfuric acid (Geo)H2O4S
  2178 Sulfuric acidH2O4S
  2179 Lithium sulfate anionLiO4S
  2180 Lithium sulfateLi2O4S
  2181 Dimethyl sulfate C2H6O4S
  2182 Dimethyl sulfate (Geo)C2H6O4S
  2183 (CH3O)3SOC3H9O4S
  2184 Diethyl sulfateC4H10O4S
  2185 Dipropyl sulfateC6H14O4S
  2186 Di-n-butyl sulfateC8H18O4S
  2187 Li(I)O4N (BARVOF) (Geo)H16LiC9NO4S
  2188 Li(I)O4N (BARVOF)H16LiC9NO4S
  2189 Li(I)O4N (BARVIZ) (Geo)H24LiC13NO4S
  2190 Li(I)O4N (BARVIZ)H24LiC13NO4S
  2191 LiHSO4.2H2O (corrected for PW91D error in H2SO4)H5LiO6S


ΔHf: -164.2 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 sulfate
 H=-164.2 HR=NIST
  C    -0.04219665 +1  -0.02206919 +1  -0.02216418 +1
  S     2.59263442 +1   0.11759686 +1   0.00677236 +1
  C     2.91354915 +1   2.74089142 +1  -0.07593984 +1
  O     3.58818076 +1   0.16802771 +1   1.03454962 +1
  O     2.54428017 +1  -0.90573722 +1  -0.99346575 +1
  O     1.11760809 +1   0.20863307 +1   0.75007776 +1
  O     2.56519950 +1   1.57035062 +1  -0.78434051 +1
  H    -0.01977759 +1  -1.02113358 +1  -0.47863418 +1
  H    -0.16064409 +1   0.76318417 +1  -0.77995166 +1
  H    -0.85146788 +1   0.03982135 +1   0.72152812 +1
  H     3.95010793 +1   2.68611541 +1   0.28392643 +1
  H     2.21372277 +1   2.92146510 +1   0.74996021 +1
  H     2.81335647 +1   3.52870528 +1  -0.83852356 +1