Accuracy

diphenyl sulfone   2162 Diphenyl sulfone

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    #  Species Formula
  2152 p-Tolyl methyl sulfoneC8H10O2S
  2153 Di-i-butyl sulfoneC8H18O2S
  2154 Di-n-butyl sulfoneC8H18O2S
  2155 Di-tert-butyl sulfoneC8H18O2S
  2156 Diisobutyl sulfoneC8H18O2S
  2157 (E)-1-Methyl-4-(1-propenyl-sulfonyl)-benzeneC10H12O2S
  2158 1-Methyl-4-(1-methyl-ethenylsulfonyl) benzeneC10H12O2S
  2159 2-Butenyl p-tolyl sulfoneC11H14O2S
  2160 2-Methyl-2-propenyl p-tolyl sulfoneC11H14O2S
  2161 3-Butenyl p-tolyl sulfoneC11H14O2S
  2162 Diphenyl sulfone C12H10O2S
  2163 CysteineC3H7NO2S
  2164 MethionineC5H11NO2S
  2165 Sulfur trioxide (Geo)O3S
  2166 Sulfur trioxideO3S
  2167 HOSO2(-)HO3S
  2168 H2SO3H2O3S
  2169 Dimethyl sulfiteC2H6O3S
  2170 Dimethyl sulfite (Geo)C2H6O3S
  2171 (CH3O)(C2H5O)SOC3H8O3S
  2172 Diethyl sulfiteC4H10O3S


ΔHf: -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