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two or more basis sets in calculation

Patrick SK Pang
pangsiukwong@gmail.com


Dear all,

Are there any input samples containing two or more basis sets in calculation? I want to use:
acc-pVDZ for other atoms and one H atom,
and cc-pVDZ for other H atoms.

Another trial is to use:
6-31++G(d,p) for other atoms and one H atom
6-31G(p) for other hydrogen atoms.

How can I prepare the input?

Thanks!

Patrick


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