Accuracy

me2sor   2127 Dimethyl sulfoxide (Geo)

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    #  Species Formula
  2117 PhenothiazineC12H9NS
  2118 ThioureaCH4N2S
  2119 TetramethylthioureaC5H12N2S
  2120 4,6-Bis(isopropylamino)-2-methylmercapto)-s-triazineC10H19N5S
  2121 Sulfur monoxide (triplet)OS
  2122 HOSHOS
  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 sulfoxideC12H10OS
  2134 ThioxanthoneC13H8OS
  2135 Bis-diethylamine sulfoxideC8H20N2OS
  2136 Sulfur dioxide (Geo)O2S
  2137 Sulfur dioxideO2S


REF: Estimated from DGauss results of DFT calculations, using the B88-PW91 functional and the DZVP basis set, in CAChe 6.0, Fujitsu Ltd, 2003.
  
 PM7
Dimethyl sulfoxide
 <S-C> <> <C-S-C> <S=O> GR=PW91D
  S     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.85645300 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.82439286 +1   95.6671690 +1    0.0000000 +0     1     2     0
  O     1.52568400 +1  105.5229875 +1  108.1383743 +1     1     2     3
  H     1.09304201 +1  109.1500636 +1 -179.3600077 +1     2     1     3
  H     1.09586123 +1  109.6340908 +1  179.3085140 +1     3     1     2
  H     1.09148740 +1  112.0342363 +1  118.2910545 +1     2     1     5
  H     1.08787232 +1  110.8571542 +1  122.0621967 +1     2     1     7
  H     1.09056512 +1  111.3284937 +1  119.6055683 +1     3     1     6
  H     1.09430559 +1  112.5779392 +1  122.1337647 +1     3     1     9