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 CCSD(T) /STO-3G

Ions
Species Name
Be+ Beryllium atom cation
Mg+ Magnesium atom cation
C+ Carbon atom cation
Si+ Silicon atom cation
N+ Nitrogen atom cation
BO- boron monoxide anion
CF- carbon monofluoride anion