PM7 Accuracy

benzyl methyl sulfone   2154 Benzyl methyl sulfone

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    #  Species Formula
  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
  2153 Diethoxy ethylthiomethaneC7H16O2S
  2154 Benzyl methyl sulfone C8H10O2S
  2155 p-Tolyl methyl sulfoneC8H10O2S
  2156 Di-i-butyl sulfoneC8H18O2S
  2157 Di-n-butyl sulfoneC8H18O2S
  2158 Di-tert-butyl sulfoneC8H18O2S
  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


DHf: -65.0 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
Benzyl methyl sulfone
 H=-65 HR=NIST
  O     0.03782096  1  -0.06242366  1  -0.04192249  1
  S     0.88893267  1   1.06356259  1   0.26791029  1
  O     0.33954059  1   2.36733759  1   0.56091925  1
  C     2.08296902  1   1.24658901  1  -1.07818356  1
  C     1.39398094  1   1.66911736  1  -2.33208323  1
  C     1.24164060  1   3.02691329  1  -2.62580028  1
  C     0.61582658  1   3.41912145  1  -3.80646959  1
  C     0.13908478  1   2.46019803  1  -4.69861368  1
  C     0.28198601  1   1.10577038  1  -4.40292738  1
  C     0.90727153  1   0.70884739  1  -3.22324374  1
  C     1.91271891  1   0.59324368  1   1.65557708  1
  H     2.86120607  1   1.98272645  1  -0.79615160  1
  H     2.62312882  1   0.29215520  1  -1.23544589  1
  H     1.59348655  1   3.78189276  1  -1.92352864  1
  H     0.49321673  1   4.47725558  1  -4.02889903  1
  H    -0.34998392  1   2.76837530  1  -5.61983604  1
  H    -0.10161940  1   0.35545894  1  -5.09137850  1
  H     0.99745454  1  -0.35128937  1  -2.98903657  1
  H     1.29394661  1   0.42136822  1   2.54842801  1
  H     2.45811893  1  -0.33847568  1   1.47819148  1
  H     2.63153033  1   1.37212348  1   1.92745693  1