6-31g* basis set missing for Br

I checked and is is published:
Ga - Kr: (22s,16p,5d) -> [5s,4p,3d] V. Rassolov, J.A. Pople, M. Ratner,
P.C. Redfern, L.A. Curtiss,
J. Comp. Chem. 22, 976 (2001),
DOI: 10.1002/jcc.1058

Is there a reason it is not in the psi4 distribution?


Huh. Despite the paper being from 2001, it looks like Ga–Kr weren’t added to EMSL until 2015, whereas the Psi basis library was globbed in 2011.

It won’t be immediate, but I’ll add it. Thanks for the FYI. In the meantime, you can add to the files in share/psi4/basis in the psi4 installation add run w/o any recompilation.

Will be fixed when https://github.com/psi4/psi4/pull/788 merged.