return to home page Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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List of which calculations are completed at PBEPBEultrafine /cc-pCVDZ

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