Apparent bug in Hartree-Fock energies for selected cases with diffuse basis sets


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Just Got Here
4:03:28 AM PST - Tue, Jan 23rd 2018
Hi Sean,

Indeed, I have seen the message about linear dependencies in the output. But it was not clear that corresponding vectors will be ignored.

Now it works, thank you for your advice. (This keyword combination should go into the official documentation ...)

Sincerely,
Christian