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

sulfur dioxide   2138 Sulfur dioxide

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    #  Species Formula
  2128 Dimethyl sulfoxide (Geo)C2H6OS
  2129 S-EthylthioacetateC4H8OS
  2130 Diethyl sulfoxideC4H10OS
  2131 Benzenesulfenic acidC6H6OS
  2132 Dipropyl sulfoxideC6H14OS
  2133 PhenoxathiinC12H8OS
  2134 Diphenyl sulfoxideC12H10OS
  2135 ThioxanthoneC13H8OS
  2136 Bis-diethylamine sulfoxideC8H20N2OS
  2137 Sulfur dioxide (Geo)O2S
  2138 Sulfur dioxide O2S
  2139 S(OH)2H2O2S
  2140 Dimethyl sulfoneC2H6O2S
  2141 Dimethyl sulfone (Geo)C2H6O2S
  2142 Methylethyl sulfoneC3H8O2S
  2143 2,5-Dihydrothiophene sulfoneC4H6O2S
  2144 Divinyl sulfoneC4H6O2S
  2145 Diethyl sulfoneC4H10O2S
  2146 Methyl-i-propyl sulfoneC4H10O2S
  2147 Methyl n-butyl sulfoneC5H12O2S
  2148 Methyl-t-butyl sulfoneC5H12O2S


ΔHf: -71.0 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).
Dipole: 1.6 Debye,     REF: A. L. McClellan, "Tables of Experimental Dipole Moments," Vol 2, Rahara Enterprises, El Cerrito, (1974).
I.P.: 12.3 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).
  
 SYMMETRY PM7
Sulfur dioxide
 H=-71.0 HR=JANAF86 I=12.3 D=1.575 IR=RDSH1977 DR=MCC1974
  O     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  S     1.41833519 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     1.41833519 +0  128.6713759 +1    0.0000000 +0     2     1     0