PM7 Accuracy Date:Mon Feb 11 04:20:05 2019

me2so3r   2171 Dimethyl sulfite (Geo)

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    #  Species Formula
  2161 2-Methyl-2-propenyl p-tolyl sulfoneC11H14O2S
  2162 3-Butenyl p-tolyl sulfoneC11H14O2S
  2163 Diphenyl sulfoneC12H10O2S
  2164 CysteineC3H7NO2S
  2165 MethionineC5H11NO2S
  2166 Sulfur trioxide (Geo)O3S
  2167 Sulfur trioxideO3S
  2168 HOSO2(-)HO3S
  2169 H2SO3H2O3S
  2170 Dimethyl sulfiteC2H6O3S
  2171 Dimethyl sulfite (Geo) C2H6O3S
  2172 (CH3O)(C2H5O)SOC3H8O3S
  2173 Diethyl sulfiteC4H10O3S
  2174 Dipropyl sulfiteC6H14O3S
  2175 Di-n-butyl sulfiteC8H18O3S
  2176 Li(I)O3N (FOBHEJ) (Geo)H18LiC10NO3S
  2177 Li(I)O3N (FOBHEJ)H18LiC10NO3S
  2178 Sulfuric acid (Geo)H2O4S
  2179 Sulfuric acidH2O4S
  2180 Lithium sulfate anionLiO4S
  2181 Lithium sulfateLi2O4S


REF: Estimated from DGauss results of DFT calculations, using the B88-PW91 functional and the DZVP basis set, in CAChe 6.0, Fujitsu Ltd, 2003.
  
 PM7
Dimethyl sulfite
 <S-O> <><O-S-O> <C-O> <C-O-S> GR=PW91D
  O     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  S     1.70257900 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     1.66005821 +1  100.7546060 +1    0.0000000 +0     2     1     0
  C     1.45444900 +1  117.4158450 +1   86.4810503 +1     1     2     3
  C     1.40504600 +1  123.4344677 +1  -82.8295123 +1     3     2     1
  O     1.46405037 +1  104.9080342 +1 -109.9319326 +1     2     1     3
  H     1.09669109 +1  102.8332928 +1  161.0036990 +1     4     1     2
  H     1.09481961 +1  111.5817708 +1 -118.3788736 +1     4     1     7
  H     1.09214426 +1  108.4742395 +1 -124.0645115 +1     4     1     8
  H     1.09995901 +1  103.7711455 +1 -157.9164055 +1     5     3     2
  H     1.09632562 +1  109.2058479 +1 -117.6584607 +1     5     3    10
  H     1.09807862 +1  112.0412549 +1 -123.6596188 +1     5     3    11