PM7 Accuracy

methylethyl sulfone   2144 Methylethyl sulfone

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    #  Species Formula
  2134 Dipropyl sulfoxideC6H14OS
  2135 PhenoxathiinC12H8OS
  2136 Diphenyl sulfoxideC12H10OS
  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 sulfone C3H8O2S
  2145 2,5-Dihydrothiophene sulfoneC4H6O2S
  2146 Divinyl sulfoneC4H6O2S
  2147 Diethyl sulfoneC4H10O2S
  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


DHf: -97.6 kcal/mol,     REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
  
 PM7
Methylethyl sulfone
 H=-97.6 HR=C&P1970
  S     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.80134400  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.52360534  1  110.7189797  1    0.0000000  0     2     1     0
  C     1.78730898  1  104.1157710  1 -179.9521526  1     1     2     3
  H     1.09963232  1  110.2716355  1  179.7649555  1     4     1     2
  O     1.44731162  1  108.0112409  1  -65.9469984  1     1     2     3
  O     1.44720731  1  107.9879475  1   66.1877221  1     1     2     3
  H     1.10538239  1  110.2761748  1  121.5652818  1     2     1     3
  H     1.10540166  1  110.2523845  1 -121.5388795  1     2     1     3
  H     1.09387241  1  112.4298991  1  -61.7421911  1     4     1     2
  H     1.09382813  1  112.4596989  1   61.2514957  1     4     1     2
  H     1.10086443  1  112.2455240  1  -60.5150633  1     3     2     1
  H     1.10088610  1  112.2574217  1   60.3791648  1     3     2     1
  H     1.09743419  1  111.1019413  1  179.9370623  1     3     2     1