National Institute of Standards and Technology
Computational Chemistry Comparison and Benchmark DataBase
Release 18October 2016
NIST Standard Reference Database 101
IIntroduction
IIExperimental data
IIICalculated data
IVData comparisons
VCost comparisons
VIInput and output files
VIITutorials and Units
VIIILinks to other sites
IXFeedback
XOlder CCCBDB versions
XIIGeometries
XIII Vibrations
XIVReaction data
XVEntropy data
XVIBibliographic data
XVIIIon data
XVIIIBad calculations
XIXIndex of properties
XXH-bond dimers
XXIOddities

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I.B.1.d.2.

Bonds types in CCCBDB

All species with O=S bond.

Species Name List all bonds Experimental data
SO Sulfur monoxide List all bonds Experimental data
SO- sulfur monoxide anion List all bonds Experimental data
SO+ sulfur monoxide cation List all bonds Experimental data
SO2 Sulfur dioxide List all bonds Experimental data
SO2- Sulfur dioxide anion List all bonds Experimental data
SSO Disulfur monoxide List all bonds Experimental data
SO2H+ protonated sulfur dioxide List all bonds Experimental data
SO3 Sulfur trioxide List all bonds Experimental data
SO3- Sulfur trioxide anion List all bonds Experimental data
SO3+ Sulfur trioxide cation List all bonds Experimental data
HSO3 HOSO2 List all bonds Experimental data
H2SO3 Sulfurous acid List all bonds Experimental data
CH3SOCH3 Dimethyl sulfoxide List all bonds Experimental data
F2SO Thionyl Fluoride List all bonds Experimental data
SOCl2 thionyl chloride List all bonds Experimental data
HSO4- bisulfate anion List all bonds Experimental data
H2SO4 Sulfuric acid List all bonds Experimental data
C2H6O2S Dimethyl sulfone List all bonds Experimental data
SO2F2 Sulfuryl fluoride List all bonds Experimental data
SO2Cl2 Sulfuryl chloride List all bonds Experimental data
HSO3F Fluorosulfonic acid List all bonds Experimental data
MgSO4 Magnesium Sulfate List all bonds Experimental data
C3H4O2S 2H-Thiete-1,1-dioxide List all bonds Experimental data
C4H6OS Vinyl sulfoxide List all bonds Experimental data
C2H6O3S Sulfurous acid, dimethyl ester List all bonds Experimental data
C3H8O2S (Methylsulphonyl)ethane List all bonds Experimental data
C4H10OS Diethyl sulfoxide List all bonds Experimental data
SOF4 Sulfur tetrafluoride oxide List all bonds Experimental data