PM7 Accuracy

bis-diethylamine sulfoxide   2138 Bis-diethylamine sulfoxide

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    #  Species Formula
  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 sulfoxideC12H10OS
  2137 ThioxanthoneC13H8OS
  2138 Bis-diethylamine sulfoxide C8H20N2OS
  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
  2147 Diethyl sulfoneC4H10O2S
  2148 Methyl-i-propyl sulfoneC4H10O2S


DHf: -66.2 kcal/mol,     REF: Reference faulty
  
 PM7
Bis-diethylamine sulfoxide
 H=-66.2 HR=CP1962
  C    -0.33605252  1   0.47905112  1   0.36976111  1
  C     1.10468369  1  -0.00045888  1   0.13472283  1
  N     2.12548199  1   1.04967013  1   0.02729681  1
  S     1.89508722  1   2.16411460  1  -1.32329967  1
  O     1.51023082  1   3.48070235  1  -0.78007637  1
  N     3.51220049  1   2.42739874  1  -1.95925506  1
  C     4.37773192  1   1.27606787  1  -2.22020347  1
  C     5.22543546  1   0.77108991  1  -1.04422589  1
  H     5.05632417  1   1.55402790  1  -3.06407262  1
  H     3.74956219  1   0.43741515  1  -2.60225987  1
  H     1.39830858  1  -0.69256817  1   0.95904314  1
  H     1.14222242  1  -0.61376739  1  -0.79685991  1
  C     2.67964723  1   1.51512259  1   1.30344286  1
  C     1.78520152  1   2.44528990  1   2.13278888  1
  H     3.64353468  1   2.03481342  1   1.08516795  1
  H     2.95103263  1   0.62284690  1   1.91571944  1
  C     4.18422658  1   3.71248431  1  -1.74110959  1
  C     4.58510587  1   4.04471998  1  -0.29712294  1
  H     3.49355320  1   4.51330910  1  -2.11059510  1
  H     5.08721430  1   3.75104931  1  -2.39321677  1
  H    -0.76698807  1   0.95444706  1  -0.51699298  1
  H    -0.38836109  1   1.21223518  1   1.18376364  1
  H    -0.98586698  1  -0.35894724  1   0.63951465  1
  H     4.59494151  1   0.39868318  1  -0.22773010  1
  H     5.86753591  1   1.55972484  1  -0.64022505  1
  H     5.87027786  1  -0.05510979  1  -1.35856255  1
  H     0.89986828  1   1.92864221  1   2.51253905  1
  H     1.43574887  1   3.30446189  1   1.53845046  1
  H     2.33398417  1   2.84713010  1   2.99046214  1
  H     5.21373041  1   3.27017338  1   0.14823375  1
  H     3.69529202  1   4.17396621  1   0.33673412  1
  H     5.13872075  1   4.98924782  1  -0.26069161  1