6-311G basis set for transition metals

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Forum >> BSE: Basis Set Exchange >> General BSE Topics >> 6-311G basis set for transition metals

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1:09:01 AM PDT - Wed, Jun 17th 2015
Hi Mernst,

many thanks for your fast response and the conversion, that really helps a lot!!!

One more question, do you have any idea why Gaussian, in contrast to EMSL basis set exchange, has included 1st row transition metals (e.g. Cu) to the 6-311G basis sets.


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