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