National Institute of Standards and Technology
Computational Chemistry Comparison and Benchmark DataBase
Release 21August 2020
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 C=S bond.

Species Name List all bonds Experimental data
CS carbon monosulfide List all bonds Experimental data
CS- carbon monosulfide anion List all bonds Experimental data
CS+ carbon monosulfide cation List all bonds Experimental data
HCS Thioformyl radical List all bonds Experimental data
HCS- Thioformyl anion List all bonds Experimental data
H2CS Thioformaldehyde List all bonds Experimental data
H2CS- thioformaldehyde anion List all bonds Experimental data
H2CS+ thioformaldehyde cation List all bonds Experimental data
H2CSH+ Thioformaldehyde, protonated List all bonds Experimental data
OCS Carbonyl sulfide List all bonds Experimental data
OCS+ Carbonyl sulfide cation List all bonds Experimental data
CS2 Carbon disulfide List all bonds Experimental data
CS2- Carbon disulfide anion List all bonds Experimental data
CS2+ Carbon disulfide cation List all bonds Experimental data
SCSe Carbon sulfide selenide List all bonds Experimental data
HNCS Isothiocyanic acid List all bonds Experimental data
CH2CS Thioketene List all bonds Experimental data
CHSNH2 thioformamide List all bonds Experimental data
CH3CHS Thioacetaldehyde List all bonds Experimental data
CS3-- Carbonotrithioate List all bonds Experimental data
H2CS3 thiocarbonic acid List all bonds Experimental data
NH2CSNH2 Thiourea List all bonds Experimental data
CH3CSNH2 Ethanethioamide List all bonds Experimental data
CH3CSCH3 Thioacetone List all bonds Experimental data
Cl2CS Thiophosgene List all bonds Experimental data
CH5N3S Hydrazinecarbothioamide List all bonds Experimental data
C2H4N2S2 Ethanedithioamide List all bonds Experimental data
C3H4S3 1,3-Dithiolane-2-thione List all bonds Experimental data
CH6N4S Carbonothioic dihydrazide List all bonds Experimental data
C3H6S3 Carbonotrithioic acid, dimethyl ester List all bonds Experimental data