PM7 Accuracy

sulfur trioxide   2169 Sulfur trioxide

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    #  Species Formula
  2159 Diisobutyl sulfoneC8H18O2S
  2160 (E)-1-Methyl-4-(1-propenyl-sulfonyl)-benzeneC10H12O2S
  2161 1-Methyl-4-(1-methyl-ethenylsulfonyl) benzeneC10H12O2S
  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 trioxide O3S
  2170 HOSO2(-)HO3S
  2171 H2SO3H2O3S
  2172 Dimethyl sulfiteC2H6O3S
  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


DHf: -94.6 kcal/mol,     REF: M. W. Chase, C. A. Davies, J. R. Downey, D. R. Frurip, R. A. McDonald, A. N. Syverud, JANAF Thermochemical Tables, Third Edition, J. Phys. Chem. Ref. Data 14, Suppl. 1 (1985).
I.P.: 11.0 eV,     REF: H. M. Rosenstock, K. Draxl, B. W. Steiner, J. T. Herron, "Energetics of Gaseous Ions," J. Phys. Ref. Data, 6 Suppl. 1 (1977).
  
 PULAY SYMMETRY PM7
Sulfur trioxide
 H=-94.6 HR=JANAF86 I=11.0 IR=RDSH1977
  O     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  S     1.42256547  1    0.0000000  0    0.0000000  0     1     0     0
  O     1.42256547  1  120.0000000  1    0.0000000  0     2     1     0
  O     1.42256547  1  120.0000000  1  180.0000000  1     2     1     3
 
   2  1    3    4