ANO RCC basis set missing bits


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Hi Lixpas,

Thank you for the report. Indeed I can confirm that for elements Pt, Au, Hg and Pr the H-functions are missing. Due to some technical issues I cannot change this myself so it might take a couple of days to have that fixed. As for Fr and Ra, the Basis Set Exchange matches the basis sets published in Theor. Chem. Acc, vol. 111, pp. 345 (2004). However in the file you pointed to there is a comment that extra G-functions were added to Fr and Ra on Dec 16, 2008. However, this is not a basis set for which I have a literature reference. If you have more details on the history of this change then please let me know. Otherwise, I will stick to the published basis set definition.

Huub