different basis sets for different hydrogen atoms?

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Posted by Puja Goyal on October 25, 2013 at 02:38:40:

Hi,

In the molecule that I am studying, there are a couple of H atoms and I wish to use 6-31++G** for just one of these H atoms and 6-31G for the others. Is it possible to do so in Molcas?

I will appreciate any response.

Thanks

Puja

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if B is 1s22s22p1, what is Li?

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