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[Display omitted] • Two different basis set series, both labeled cc-pV x Z, for calculation on Li compounds are different. • Different levels of theory including DFT, MP, CCSD and CCSD(T) were tested. • The deviations among the basis sets are as large as 22 millihartrees (57 kJ/mol) We have found that two different basis set series, both labeled cc-pV x Z, are widely available and widely used for calculation on Li compounds such that calculations that should be the same are different, causing a reproducibility problem. Here we study the magnitude of the disagreement of these nominally-the-same basis sets for wave function and density functional calculations of Li clusters. We find deviations among the basis sets of as large as 22 millihartrees. In most cases one obtains lower energies with the noncanonical choices. Therefore, it is important to specify which version of the basis set is used for calculations. [ABSTRACT FROM AUTHOR]