PM7 Accuracy

diphenyl sulfone   2165 Diphenyl sulfone

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    #  Species Formula
  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
  2165 Diphenyl sulfone C12H10O2S
  2166 CysteineC3H7NO2S
  2167 MethionineC5H11NO2S
  2168 Sulfur trioxide (Geo)O3S
  2169 Sulfur trioxideO3S
  2170 HOSO2(-)HO3S
  2171 H2SO3H2O3S
  2172 Dimethyl sulfiteC2H6O3S
  2173 Dimethyl sulfite (Geo)C2H6O3S
  2174 (CH3O)(C2H5O)SOC3H8O3S
  2175 Diethyl sulfiteC4H10O3S


DHf: -28.4 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
Diphenyl sulfone
 H=-28.38 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.39427929  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.39402487  1  119.9607439  1    0.0000000  0     2     1     0
  C     1.39401908  1  120.0543681  1   -0.4479942  1     3     2     1
  C     1.39427649  1  120.0006778  1    0.4392233  1     4     3     2
  C     1.39262851  1  119.8634337  1   -0.4883112  1     1     2     3
  S     1.76736321  1  119.8777983  1 -178.5115001  1     6     1     2
  O     1.44872375  1  107.6691375  1  -23.4851261  1     7     6     1
  O     1.44860634  1  107.6882413  1 -156.3547123  1     7     6     1
  C     1.76789672  1  102.9707815  1   90.0344243  1     7     6     1
  C     1.39261861  1  119.7982969  1  -91.0048349  1    10     7     6
  C     1.39271606  1  119.8854572  1   89.3271488  1    10     7     6
  C     1.39429674  1  119.8073338  1 -179.0247591  1    12    10     7
  C     1.39402419  1  120.0020168  1   -0.4548617  1    13    12    10
  C     1.39440911  1  119.8264983  1  179.0126036  1    11    10     7
  H     1.09565496  1  119.2198738  1  178.7622062  1     1     2     3
  H     1.08764698  1  119.9735530  1  179.8128722  1     2     1     6
  H     1.08878371  1  119.9921493  1  179.8133850  1     3     2     1
  H     1.08772632  1  120.0337717  1 -179.3070233  1     4     3     2
  H     1.09552788  1  119.2482543  1 -178.6418151  1     5     4     3
  H     1.09550259  1  120.9689371  1   -1.7780634  1    11    10     7
  H     1.09528439  1  120.9745404  1    1.8035839  1    12    10     7
  H     1.08778977  1  119.9494292  1  179.8564589  1    13    12    10
  H     1.08876411  1  119.9693686  1  179.8721719  1    14    13    12
  H     1.08773120  1  119.9464056  1 -179.8503870  1    15    11    10