CCL:G: LANL2TZf in Gaussian 16



You can always find it here:
 https://www.basissetexchange.org
 and cite it:
 Citation
 When publishing results obtained from use of the Basis Set Exchange software,
 please cite:
 A New Basis Set Exchange: An Open, Up-to-date Resource for the Molecular
 Sciences Community. Benjamin P. Pritchard, Doaa Altarawy, Brett Didier, Tara D.
 Gibson, Theresa L. Windus. J. Chem. Inf. Model. 2019, 59(11), 4814-4820,
 doi:10.1021/acs.jcim.9b00725.
 For citing the previous EMSL/PNNL Basis Set Exchange, please cite the following
 references:
 The Role of Databases in Support of Computational Chemistry Calculations Feller,
 D., J. Comp. Chem. 1996, 17(13), 1571-1586.
 Basis Set Exchange: A Community Database for Computational Sciences Schuchardt,
 K.L., Didier, B.T., Elsethagen, T., Sun, L., Gurumoorthi, V., Chase, J., Li, J.,
 and Windus, T.L. J. Chem. Inf. Model. 2007, 47(3), 1045-1052,
 doi:10.1021/ci600510j.
 > On 8 Sep 2023, at 15:10, Jonathan E Stevens stevenje|,|udmercy.edu
 <owner-chemistry/a\ccl.net> wrote:
 >
 >
 > Sent to CCL by: "Jonathan E Stevens" [stevenje * udmercy.edu]
 > Hello,
 > I have recently seen several publications in which density functional
 calculations are carried out in Gaussian 16 using the LANLTZf ecp/basis set, in
 particular for transition metals. If there is a keyword that specifies this, I
 cannot find out what it is in the online manual.
 > Am I missing a keyword, or is there a site where I can find information to
 enter this basis manually?
 > Many thanks,
 > Jonathan Stevens
 >
 >
 >
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 >
 Marcel Swart
 ICREA Professor at University of Girona
 IQCC (Univ. Girona)
 Campus Montilivi (Ciències)
 c/ M.A. Capmany, 69
 17003 Girona, Spain
 www.marcelswart.eu
 marcel.swart/a\gmail.com
 Disclaimer:
 I completely understand if you don't have time to work on this until normal
 business hours. I won't be expecting an immediate response.