PM7 Accuracy

diethoxy ethylthiomethane   2153 Diethoxy ethylthiomethane

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    #  Species Formula
  2143 Dimethyl sulfone (Geo)C2H6O2S
  2144 Methylethyl sulfoneC3H8O2S
  2145 2,5-Dihydrothiophene sulfoneC4H6O2S
  2146 Divinyl sulfoneC4H6O2S
  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 ethylthiomethane C7H16O2S
  2154 Benzyl methyl sulfoneC8H10O2S
  2155 p-Tolyl methyl sulfoneC8H10O2S
  2156 Di-i-butyl sulfoneC8H18O2S
  2157 Di-n-butyl sulfoneC8H18O2S
  2158 Di-tert-butyl sulfoneC8H18O2S
  2159 Diisobutyl sulfoneC8H18O2S
  2160 (E)-1-Methyl-4-(1-propenyl-sulfonyl)-benzeneC10H12O2S
  2161 1-Methyl-4-(1-methyl-ethenylsulfonyl) benzeneC10H12O2S
  2162 2-Butenyl p-tolyl sulfoneC11H14O2S
  2163 2-Methyl-2-propenyl p-tolyl sulfoneC11H14O2S


DHf: -104.4 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
Diethoxy ethylthiomethane
 H=-104.4 HR=NIST
  S     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.83592828  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.51807984  1  112.1715075  1    0.0000000  0     2     1     0
  C     1.85376685  1  103.4226241  1   83.9635639  1     1     2     3
  O     1.39863632  1  104.8982281  1  -68.9102082  1     4     1     2
  C     1.42440377  1  116.6608827  1  150.1231942  1     5     4     1
  C     1.52463226  1  103.7397037  1 -175.3437872  1     6     5     4
  H     1.10739926  1  109.2758298  1 -123.2893208  1     2     1     3
  O     1.39492718  1  106.2712021  1  118.2497838  1     4     1     5
  C     1.42761164  1  115.8486790  1  137.5348385  1     9     4     1
  C     1.52276454  1  104.0226104  1  166.2992773  1    10     9     4
  H     1.10686673  1  106.3695234  1 -114.9210088  1     2     1     8
  H     1.10158665  1  111.6881419  1  -60.8196745  1     3     2     1
  H     1.09775131  1  112.4383619  1  120.1125898  1     3     2    13
  H     1.09732991  1  111.0328215  1  120.3579123  1     3     2    14
  H     1.10797634  1  110.2914216  1  124.1831947  1     4     1     9
  H     1.10416417  1  109.8236467  1  119.9221926  1     6     5     7
  H     1.10272060  1  108.7317828  1  120.3522902  1     6     5    17
  H     1.09731115  1  111.1404634  1   66.3430704  1     7     6     5
  H     1.09872733  1  110.8551980  1 -118.6104690  1     7     6    19
  H     1.09432522  1  111.2805616  1 -120.6370896  1     7     6    20
  H     1.10251047  1  110.5957944  1 -120.6973492  1    10     9    11
  H     1.10520928  1  107.6633987  1 -120.0751227  1    10     9    22
  H     1.09948466  1  110.7702970  1   52.1295642  1    11    10     9
  H     1.09701086  1  111.4568747  1 -118.6842970  1    11    10    24
  H     1.09482010  1  111.3821490  1 -121.0181191  1    11    10    25