National Institute of Standards and Technology
Computational Chemistry Comparison and Benchmark DataBase
Release 22May 2022
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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III.F.1. (I.A.4.)

List of which calculations are completed at MP2 /cc-pCVDZ

Ions
Species Name
H+ Hydrogen atom cation
LiH- lithium hydride anion
LiH+ lithium hydride cation
LiH+ lithium hydride cation
H2S+ Hydrogen sulfide cation
H3S+ Sulfonium cation
HCl+ hydrogen chloride cation
H2Cl+ dihydrogen monochloride cation
H2Cl+ dihydrogen monochloride cation
N2+ diatomic nitrogen cation
NNH+ Dinitrogen monohydride cation
CO- carbon monoxide anion
CO+ carbon monoxide cation
CH3SH2+ protonated methylsulfide
Cl2+ chlorine diatomic cation
SiF5- silicon pentafluoride anion