A previous computational study of the same ThrRS model, 82 using B3LYP+D3/6-31G(d ) and C-PCM with ε = 4, reported a minimum-energy biphenyl angle θ = -2.5 • . Using fixed-atom constraints, and scanning in 5 • increments, we obtain a minimum at θ = -5.0 • using either ε = 1 or ε = 4 (see Fig. ). Our procedure differs in minor details from that in Ref. 82, with a slightly different basis set [6-31G(d,p)] and a somewhat different solute cavity construction, but we regard our results as being entirely consistent with the previously reported minimum-energy structure. It is worth noting that neither of these basis sets is likely to afford a converged θ energy profile, but our purpose here is to make contact with previous studies that employ fixed-atom constraints.