PM7 Accuracy

diphenyl sulfoxide   2136 Diphenyl sulfoxide

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    #  Species Formula
  2126 Carbon oxysulfideCOS
  2127 Ethyne sulfenic acidC2H2OS
  2128 Thiolacetic acidC2H4OS
  2129 Dimethyl sulfoxideC2H6OS
  2130 Dimethyl sulfoxide (Geo)C2H6OS
  2131 S-EthylthioacetateC4H8OS
  2132 Diethyl sulfoxideC4H10OS
  2133 Benzenesulfenic acidC6H6OS
  2134 Dipropyl sulfoxideC6H14OS
  2135 PhenoxathiinC12H8OS
  2136 Diphenyl sulfoxide C12H10OS
  2137 ThioxanthoneC13H8OS
  2138 Bis-diethylamine sulfoxideC8H20N2OS
  2139 Sulfur dioxide (Geo)O2S
  2140 Sulfur dioxideO2S
  2141 S(OH)2H2O2S
  2142 Dimethyl sulfoneC2H6O2S
  2143 Dimethyl sulfone (Geo)C2H6O2S
  2144 Methylethyl sulfoneC3H8O2S
  2145 2,5-Dihydrothiophene sulfoneC4H6O2S
  2146 Divinyl sulfoneC4H6O2S


DHf: 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