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We note that Privalov's paper is not entirely clear about the basis set/relativistic method used: The main text refers to (scalar relativistic) LCECPs; however, the cited geometries are listed in the Supporting Information as (non-relativistic) 6-31G**The close agreement with our calculations would point to the LC-ECP method. Accordingly, we have listed Privalov's results as such in Table 1
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We note that Privalov's paper is not entirely clear about the basis set/relativistic method used: The main text refers to (scalar relativistic) LCECPs; however, the cited geometries are listed in the Supporting Information as (non-relativistic) 6-31G**The close agreement with our calculations would point to the LC-ECP method. Accordingly, we have listed Privalov's results as such in Table 1.
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