PM7 Accuracy

dimethyl sulfone   2142 Dimethyl sulfone

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    #  Species Formula
  2132 Diethyl sulfoxideC4H10OS
  2133 Benzenesulfenic acidC6H6OS
  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 sulfone C2H6O2S
  2143 Dimethyl sulfone (Geo)C2H6O2S
  2144 Methylethyl sulfoneC3H8O2S
  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


DHf: -89.1 kcal/mol,     REF: NIST Chemistry WebBook, NIST Standard Reference Database, No. 69; W. G. Mallard, P. J. Linstrom, Eds., National Institute of Standards and Technology, Gaithersberg, http://webbook.nist.gov/chemistry.
  
 PM7
Dimethyl sulfone
 H=-89.1 HR=NIST S=74.24 CP=23.9
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  S     1.78475890  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.78505544  1  104.7731889  1    0.0000000  0     2     1     0
  O     1.44681191  1  107.5705686  1  114.2827673  1     2     1     3
  O     1.44679223  1  107.5603527  1 -114.2167736  1     2     1     3
  H     1.09972817  1  110.5345340  1 -179.9463163  1     1     2     3
  H     1.09435001  1  112.5276850  1   61.4487372  1     1     2     3
  H     1.09435439  1  112.5387374  1  -61.3309973  1     1     2     3
  H     1.09973176  1  110.4925276  1  179.9131914  1     3     2     1
  H     1.09423874  1  112.5491857  1   61.2993576  1     3     2     1
  H     1.09426031  1  112.5194287  1  -61.4986120  1     3     2     1