PM7 Accuracy

divinyl sulfone   2146 Divinyl sulfone

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    #  Species Formula
  2136 Diphenyl sulfoxideC12H10OS
  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 sulfone C4H6O2S
  2147 Diethyl sulfoneC4H10O2S
  2148 Methyl-i-propyl sulfoneC4H10O2S
  2149 Methyl n-butyl sulfoneC5H12O2S
  2150 Methyl-t-butyl sulfoneC5H12O2S
  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


DHf: -36.0 kcal/mol,     REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
  
 PM7
Divinyl sulfone
 H=-36.0 HR=C&P1970
  S    -0.12969366  1   0.03954916  1  -0.13920410  1
  C     1.63077974  1  -0.01365086  1  -0.13923320  1
  C     2.37932607  1   1.05440491  1  -0.39359928  1
  C    -0.53601246  1  -0.10929549  1   1.56787073  1
  C    -0.83898700  1  -1.27071300  1   2.13763681  1
  O    -0.53859383  1   1.36068174  1  -0.57396901  1
  O    -0.60577570  1  -1.14762534  1  -0.82011418  1
  H     2.06164238  1  -0.99382710  1   0.05633339  1
  H    -0.54896665  1   0.83117707  1   2.11733496  1
  H     1.98261780  1   2.04363916  1  -0.61738844  1
  H     3.46271065  1   1.02999624  1  -0.40663044  1
  H    -1.09659482  1  -1.36662559  1   3.18616823  1
  H    -0.87124790  1  -2.22472366  1   1.61440296  1