Hi ADF-users,

How important are the "scaled ZORA energy correction"'s which are
printed after Total Bonding Energy in the scalar or spinorbit ZORA
calculations? What energy values are to be used to compare the
different geometries for such a calculations -- just TBE's or (TBE +
"scaled ZORA energy correction") ?

Thank you!

--
Best regards,
Gregory Shamov,
Department of Chemistry
University of Manitoba
mailto: gas5x_at_bancorp.ru
mailto: shamov_at_cc.umanitoba.ca