National Institute of Standards and Technology
Computational Chemistry Comparison and Benchmark DataBase
Release 17bSeptember 2015
NIST Standard Reference Database 101
IIExperimental data
IIICalculated data
IVData comparisons
VCost comparisons
VIInput and output files
VIITutorials and Units
VIIILinks to other sites
XOlder CCCBDB versions
XIII Vibrations
XIVReaction data
XVEntropy data
XVIBibliographic data
XVIIIon data
XVIIIBad calculations
XIXIndex of properties
XXH-bond dimers

NIST policy on privacy, security, and accessibility.

Please rate our products
© 2013 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved.

The National Institute of Standards and Technology (NIST) is an agency of the U.S. Department of Commerce.

Please send questions, comments, corrections, additions and suggestions to

return to home page


Molecules with Li in CCCBDB

Click on the molecule name for links to all the data in the CCCBDB for that molecule.
Molecule Name Cation Name Anion Name
Li Lithium atom Li+ Lithium atom cation Li- Lithium atom anion
LiH Lithium Hydride LiH+ lithium hydride cation LiH- lithium hydride anion
Li2 Lithium diatomic Li2+ lithium diatomic cation Li2- lithium dimer anion
LiBe Lithium Beryllium
LiB Lithium boride
LiC Lithium Carbide
LiN Lithium Nitride LiN+ Lithium Nitride cation
LiO lithium oxide LiO+ lithium oxide cation LiO- lithium oxide anion
LiF lithium fluoride LiF+ lithium fluoride cation LiF- lithium fluoride anion
NaLi lithium sodium NaLi+ lithium sodium cation NaLi- lithium sodium anion
LiMg Lithium magnesium
LiS Lithium monosulfide LiS+ Lithium sulfide cation
LiCl lithium chloride LiCl+ lithium chloride cation LiCl- lithium chloride anion
LiK Lithium Potassium
LiBr Lithium Bromide LiBr+ lithium bromide anion LiBr- lithium bromide cation
Li3 Lithium trimer Li3+ Lithium trimer cation
LiCN lithium cyanide
LiOH lithium hydroxide
Li2O dilithium oxide Li2O+ dilithium oxide cation
Li2S dilithium sulfide
Li3N trilithium nitride
CH3Li methyl lithium
LiBH4 Lithium borohydride