return to home page Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
You are here: Resources > Info on Results > Calculations Done > Method and basis set

List of which calculations are completed at M06-2X /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
N+ Nitrogen atom cation
O+ Oxygen atom cation
F+ Fluorine atom cation
Cl+ Chlorine atom cation
Ne+ Neon atom cation