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Alex Granovsky
gran@classic.chem.msu.su

I'm sorry for the delayed reply.

Your approach is quite appropriate. As to the second part of your
question, indeed, you can use different basis sets after each atom
in the $DATA  

Kind regards,
Alex Granovsky

On Fri Aug 15 '14 9:17am, alex wrote
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>Dear QChemists,
>I am trying to model a chemical reaction in a complex protein environment.  The system is big with 6-31++G* (c.a. 1K shells and 3K basis functions) so I am considering a truncation. I am thinking about modeling of the “rather environmental” part of the system with something like STO-6G, the several atoms of the “catalytic heart” at 6-311++G** level and the interface between the two at 6-31G theory level. Does it make sense or I am just messing things up? If it is appropriate, is it OK to store particular basis function (from different sets) after each atom in $DATA section of the input?
>Thanks for knowledgeable comments,
>