Accuracy

me2sor   1527 Dimethyl sulfoxide (Geo)

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    #  Species Formula
  1517 PhenothiazineC12H9NS
  1518 ThioureaCH4N2S
  1519 TetramethylthioureaC5H12N2S
  1520 4,6-Bis(isopropylamino)-2-methylmercapto)-s-triazineC10H19N5S
  1521 Sulfur monoxide (triplet)OS
  1522 HOSHOS
  1523 Carbon oxysulfideCOS
  1524 Ethyne sulfenic acidC2H2OS
  1525 Thiolacetic acidC2H4OS
  1526 Dimethyl sulfoxideC2H6OS
  1527 Dimethyl sulfoxide (Geo) C2H6OS
  1528 S-EthylthioacetateC4H8OS
  1529 Diethyl sulfoxideC4H10OS
  1530 Benzenesulfenic acidC6H6OS
  1531 Dipropyl sulfoxideC6H14OS
  1532 PhenoxathiinC12H8OS
  1533 Diphenyl sulfoxideC12H10OS
  1534 ThioxanthoneC13H8OS
  1535 Bis-diethylamine sulfoxideC8H20N2OS
  1536 Sulfur dioxide (Geo)O2S
  1537 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.
  

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