| 4:15:44 PM PDT - Mon, Jun 9th 2014 |
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Hi Daniela,
The simplest way seems to be to pick the basis set up from http://www.molpro.net/info/basis.php put it in a file and upload it to the basis set exchange. After that you can extract it in all the various formats. Of course you need to have an contributor account to upload basis sets and to access basis sets that have not yet been curated. Otherwise this is all pretty straight forward as the web page lists the data exactly as the basis set exchange reads it. You just need to add a couple of lines to say which element and what angular momentum is involved.
Best wishes, Huub
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