An exhaustive tabulation of results for all 473 DFAs investigated here is provided in the SI (Tables ) for the following properties: re(H-C), re(C-N), re(N-O), ω1-ω5, Δre(H-C), Δre(C-N), Δω(H-C str.), Δω(C-N str.), and ΔEe(rxn), as well as ω6, q e(H-C-N), q e(C-N-O), and the barrier to linearity (EB) for bent structures. In addition, percentiles (%-ile) in accuracy within the collection of DFAs relative to our benchmarks are listed for each property except the last four.