PM7 Accuracy

1-methyl-4-(1-methyl-ethenylsulfonyl) benzene   2161 1-Methyl-4-(1-methyl-ethenylsulfonyl) benzene

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    #  Species Formula
  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
  2158 Di-tert-butyl sulfoneC8H18O2S
  2159 Diisobutyl sulfoneC8H18O2S
  2160 (E)-1-Methyl-4-(1-propenyl-sulfonyl)-benzeneC10H12O2S
  2161 1-Methyl-4-(1-methyl-ethenylsulfonyl) benzene C10H12O2S
  2162 2-Butenyl p-tolyl sulfoneC11H14O2S
  2163 2-Methyl-2-propenyl p-tolyl sulfoneC11H14O2S
  2164 3-Butenyl p-tolyl sulfoneC11H14O2S
  2165 Diphenyl sulfoneC12H10O2S
  2166 CysteineC3H7NO2S
  2167 MethionineC5H11NO2S
  2168 Sulfur trioxide (Geo)O3S
  2169 Sulfur trioxideO3S
  2170 HOSO2(-)HO3S
  2171 H2SO3H2O3S


DHf: -47.0 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
1-Methyl-4-(1-methyl-ethenylsulfonyl) benzene
 H=-47 HR=NIST
  C     0.03783480  1   0.06633733  1  -0.01397504  1
  C     1.42787353  1   0.13466080  1  -0.03227783  1
  C     2.14769509  1   0.12638230  1   1.16713821  1
  C     1.46259971  1   0.04978070  1   2.38250039  1
  C     0.07127482  1  -0.01985354  1   2.39761171  1
  C    -0.64098058  1  -0.00034704  1   1.20111183  1
  C     3.63633867  1   0.17746370  1   1.13801244  1
  S    -2.40403161  1  -0.08074129  1   1.22439294  1
  O    -2.84634080  1  -0.48263930  1  -0.09655669  1
  O    -2.79879074  1  -0.82720472  1   2.40322628  1
  C    -2.89218977  1   1.60939011  1   1.47555514  1
  C    -3.35535284  1   2.01661183  1   2.65505841  1
  H    -3.47656359  1   1.37490372  1   3.52353063  1
  H    -0.51034322  1   0.05093096  1  -0.96340927  1
  H     1.95649846  1   0.18557056  1  -0.98089330  1
  H     2.01452316  1   0.03608067  1   3.31925347  1
  H    -0.44738410  1  -0.10364750  1   3.35886482  1
  H     4.00679033  1   0.98234878  1   0.48660115  1
  H     4.05434651  1  -0.76633391  1   0.75162583  1
  H     4.08009434  1   0.33871806  1   2.12964775  1
  C    -2.75717068  1   2.50429746  1   0.29810889  1
  H    -3.66518289  1   3.03368787  1   2.85371125  1
  H    -3.30155366  1   2.11192898  1  -0.58154769  1
  H    -1.70876799  1   2.64130429  1  -0.00915593  1
  H    -3.16023822  1   3.50980738  1   0.48670887  1