Accuracy

diphenyl sulfoxide   2133 Diphenyl sulfoxide

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    #  Species Formula
  2123 Carbon oxysulfideCOS
  2124 Ethyne sulfenic acidC2H2OS
  2125 Thiolacetic acidC2H4OS
  2126 Dimethyl sulfoxideC2H6OS
  2127 Dimethyl sulfoxide (Geo)C2H6OS
  2128 S-EthylthioacetateC4H8OS
  2129 Diethyl sulfoxideC4H10OS
  2130 Benzenesulfenic acidC6H6OS
  2131 Dipropyl sulfoxideC6H14OS
  2132 PhenoxathiinC12H8OS
  2133 Diphenyl sulfoxide C12H10OS
  2134 ThioxanthoneC13H8OS
  2135 Bis-diethylamine sulfoxideC8H20N2OS
  2136 Sulfur dioxide (Geo)O2S
  2137 Sulfur dioxideO2S
  2138 S(OH)2H2O2S
  2139 Dimethyl sulfoneC2H6O2S
  2140 Dimethyl sulfone (Geo)C2H6O2S
  2141 Methylethyl sulfoneC3H8O2S
  2142 2,5-Dihydrothiophene sulfoneC4H6O2S
  2143 Divinyl sulfoneC4H6O2S


ΔHf: 25.6 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 sulfoxide
 H=25.6 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.39451748 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.39366772 +1  119.9499029 +1    0.0000000 +0     2     1     0
  C     1.39430793 +1  120.0434892 +1   -0.5035674 +1     3     2     1
  C     1.39442122 +1  120.1182714 +1    0.2658049 +1     4     3     2
  C     1.39067521 +1  119.6761808 +1    0.0069404 +1     1     2     3
  S     1.79974898 +1  119.7535624 +1  179.0838274 +1     6     1     2
  O     1.48598775 +1  105.8425180 +1  -10.5931880 +1     7     6     1
  C     1.80123409 +1   96.8281931 +1   97.6008314 +1     7     6     1
  C     1.39084364 +1  120.1013295 +1   73.0279134 +1     9     7     6
  C     1.39081047 +1  119.2516285 +1 -108.7845902 +1     9     7     6
  C     1.39461853 +1  119.7092578 +1 -178.4282667 +1    11     9     7
  C     1.39357461 +1  119.9816741 +1   -0.0598486 +1    12    11     9
  C     1.39433833 +1  119.5840990 +1  178.5833609 +1    10     9     7
  H     1.09633771 +1  119.6768256 +1  179.7425215 +1     1     2     3
  H     1.08859787 +1  119.9391962 +1  179.8012404 +1     2     1     6
  H     1.08864885 +1  119.9851983 +1  179.5424260 +1     3     2     1
  H     1.08757203 +1  119.9590647 +1 -179.6808261 +1     4     3     2
  H     1.08965816 +1  119.0338648 +1 -179.3782866 +1     5     4     3
  H     1.08975337 +1  121.4889823 +1   -1.6966129 +1    10     9     7
  H     1.09699559 +1  120.7196759 +1    1.6364718 +1    11     9     7
  H     1.08848916 +1  119.8811209 +1 -179.9087711 +1    12    11     9
  H     1.08847765 +1  120.0147562 +1 -179.7303500 +1    13    12    11
  H     1.08756687 +1  119.9162094 +1  179.6247309 +1    14    10     9