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Using multiple basis sets

Martin
martineastgate@gmail.com


Hi All,

This may be a silly question, but I am having trouble working out how to do it....

Im running some calculations on various palladium complexes - GAMESS goes to 3-21G for palladium.

I was wondering if there is any way (and if its worth it) to run the bulk of the molecule (all CH and O) at a higher level using 3-21G for palladium. I dont know if this can be done, or is worth while.

If not, does anyone know where I can get different basis sets from and how I can put them into GAMESS.

Thanks for anyhelp!

Martin


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