hydrogen in aug-cc-pCV5Z

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Forum >> BSE: Basis Set Exchange >> General BSE Topics

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2:32:43 AM PST - Wed, Mar 4th 2015
The aug-cc-pCV5Z basis set shows that it is parameterized for hydrogen in the comments and the web UI, but there is actually no basis set data for hydrogen when one attempts to download the data. I don't know if the basis set data is incomplete or if the reported parameterization for hydrogen is in error.


Forum >> BSE: Basis Set Exchange >> General BSE Topics



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