PM7 Accuracy

dimethyl sulfite   2172 Dimethyl sulfite

(Previous)     (Back)     (Next)         Geometry predicted using PM7

   

    #  Species Formula
  2162 2-Butenyl p-tolyl sulfoneC11H14O2S
  2163 2-Methyl-2-propenyl p-tolyl sulfoneC11H14O2S
  2164 3-Butenyl p-tolyl sulfoneC11H14O2S
  2165 Diphenyl sulfoneC12H10O2S
  2166 CysteineC3H7NO2S
  2167 MethionineC5H11NO2S
  2168 Sulfur trioxide (Geo)O3S
  2169 Sulfur trioxideO3S
  2170 HOSO2(-)HO3S
  2171 H2SO3H2O3S
  2172 Dimethyl sulfite C2H6O3S
  2173 Dimethyl sulfite (Geo)C2H6O3S
  2174 (CH3O)(C2H5O)SOC3H8O3S
  2175 Diethyl sulfiteC4H10O3S
  2176 Dipropyl sulfiteC6H14O3S
  2177 Di-n-butyl sulfiteC8H18O3S
  2178 Li(I)O3N (FOBHEJ) (Geo)H18LiC10NO3S
  2179 Li(I)O3N (FOBHEJ)H18LiC10NO3S
  2180 Sulfuric acid (Geo)H2O4S
  2181 Sulfuric acidH2O4S
  2182 Lithium sulfate anionLiO4S


DHf: -115.5 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 sulfite
 H=-115.5 HR=NIST
  O    -0.00748654  1  -0.06799599  1   0.09760469  1
  S     1.64467667  1  -0.04098834  1  -0.08830096  1
  O     1.91509012  1   1.60051150  1  -0.05261722  1
  C    -0.91012327  1   0.09837475  1  -0.96544243  1
  C     1.81259958  1   2.41623700  1  -1.19163705  1
  O     1.90339989  1  -0.45558905  1  -1.46802573  1
  H    -1.83158174  1  -0.38510985  1  -0.60799256  1
  H    -0.56050845  1  -0.38919412  1  -1.88505760  1
  H    -1.08171873  1   1.16942949  1  -1.12655531  1
  H     2.33241350  1   3.33964779  1  -0.89744924  1
  H     0.75715322  1   2.62328617  1  -1.40354242  1
  H     2.30996305  1   1.96390352  1  -2.06040583  1