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 SVWN /cc-pVQZ

Ions
Species Name
Li+ Lithium atom cation
Na+ Sodium atom cation
Be+ Beryllium atom cation
Mg+ Magnesium atom cation
B+ Boron atom cation
Al+ Aluminum atom cation
C+ Carbon atom cation
Si+ Silicon atom cation
CH4+ Methane cation
CH4+ Methane cation
CH4+ Methane cation
N+ Nitrogen atom cation
O+ Oxygen atom cation
F+ Fluorine atom cation
Cl+ Chlorine atom cation
Ne+ Neon atom cation
C2H4- Ethylene anion
C2H4+ Ethylene cation
HCN- Hydrogen cyanide anion
CH3CN- acetonitrile anion
CO2+ Carbon dioxide cation
C3H3N+ acrylonitrile cation
C2HF3+ Trifluoroethylene cation