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#O bond.

Species Name List all bonds Experimental data
CO Carbon monoxide List all bonds Experimental data
CO- carbon monoxide anion List all bonds Experimental data
BH3CO Borane carbonyl List all bonds Experimental data
CH3CO+ acetyl cation List all bonds Experimental data
Fe(CO)5 Iron pentacarbonyl List all bonds Experimental data