How can two basis sets (6-31+G(d,P)/LANL2DZ) be fed into the orca input file for geometry optimization of the Ca complex compound in orca 4 2 1?

02 September 2024 1 8K Report

I need to geometry optimization of the Ca complex in orca 4 2 1 by using mixed basis set (6-31+g(d,p)/LANL2DZ). if known the input file is attached.

Alexey N. Masliy

As follows from the program documentation, in your case it is enough to write:

! 6-31+G(d,p) LanL2DZ Autoaux

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