Originally reported and suggested by @jthorton.
We currently have no iodines on our basis set benchmarking dataset "OpenFF Theory Benchmarking Set v1.0". It might be preferable to add a few iodines to this set to assess basis sets that can natively achieve reasonable results for these cases, as b3lyp-d3bj/dzvp is known to have issues with iodine-containing molecules.
Originally reported and suggested by @jthorton.
We currently have no iodines on our basis set benchmarking dataset "OpenFF Theory Benchmarking Set v1.0". It might be preferable to add a few iodines to this set to assess basis sets that can natively achieve reasonable results for these cases, as
b3lyp-d3bj/dzvpis known to have issues with iodine-containing molecules.