PM7 Accuracy

diethyl sulfone   2147 Diethyl sulfone

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    #  Species Formula
  2137 ThioxanthoneC13H8OS
  2138 Bis-diethylamine sulfoxideC8H20N2OS
  2139 Sulfur dioxide (Geo)O2S
  2140 Sulfur dioxideO2S
  2141 S(OH)2H2O2S
  2142 Dimethyl sulfoneC2H6O2S
  2143 Dimethyl sulfone (Geo)C2H6O2S
  2144 Methylethyl sulfoneC3H8O2S
  2145 2,5-Dihydrothiophene sulfoneC4H6O2S
  2146 Divinyl sulfoneC4H6O2S
  2147 Diethyl sulfone C4H10O2S
  2148 Methyl-i-propyl sulfoneC4H10O2S
  2149 Methyl n-butyl sulfoneC5H12O2S
  2150 Methyl-t-butyl sulfoneC5H12O2S
  2151 Di-n-propyl sulfoneC6H14O2S
  2152 Ethyl-t-butyl sulfoneC6H14O2S
  2153 Diethoxy ethylthiomethaneC7H16O2S
  2154 Benzyl methyl sulfoneC8H10O2S
  2155 p-Tolyl methyl sulfoneC8H10O2S
  2156 Di-i-butyl sulfoneC8H18O2S
  2157 Di-n-butyl sulfoneC8H18O2S


DHf: -102.5 kcal/mol,     REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
  
 PM7
Diethyl sulfone
 H=-102.5 HR=C&P1970
  S     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.80382511  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.52315623  1  110.7296223  1    0.0000000  0     2     1     0
  C     1.80371233  1  103.4826332  1 -179.8553246  1     1     2     3
  C     1.52317233  1  110.7114829  1 -179.9609209  1     4     1     2
  O     1.44782723  1  107.8035128  1  -65.8065786  1     1     2     3
  O     1.44782292  1  107.7731195  1   66.1138715  1     1     2     3
  H     1.10532658  1  110.1454352  1  -58.3532544  1     2     1     4
  H     1.10534462  1  110.1282379  1   58.6395617  1     2     1     4
  H     1.10094861  1  112.2466751  1  -60.5158885  1     3     2     1
  H     1.10097981  1  112.2572944  1   60.3598523  1     3     2     1
  H     1.09757823  1  111.0880879  1  179.9267396  1     3     2     1
  H     1.10528576  1  110.1387275  1  -58.4696982  1     4     1     2
  H     1.10530918  1  110.1423626  1   58.5352773  1     4     1     2
  H     1.10095014  1  112.2493462  1   60.5356684  1     5     4     1
  H     1.09757365  1  111.0864027  1 -179.9131444  1     5     4     1
  H     1.10096616  1  112.2630702  1  -60.3546082  1     5     4     1