None of the self-consistent functionals reproduces this ordering, and many of the functionals (with notable exceptions BLYP+D3 and B3LYP+D3) significantly destabilize form XLI, which is the conformer that appears in the lowest-energy crystal polymorph. DC-DFT generally shifts the conformational energies in the correct direction by stabilizing XLI relative to the other conformers. However, the extent to which this is true varies by several kJ/mol depending upon the choice of functional, and for the BLYP+D3 and B3LYP+D3 functionals that perform reasonably well in conventional self-consistent calculations, the errors increase when DC-DFT is used. Other functionals do improve when DC-DFT replaces a self-consistent calculation, and the best-performing DFT approach is DC-PBE+D3, with root-mean-square (RMS) error of 0.9 kJ/mol with respect to the CCSD(T) benchmarks. However, SCS-MP2D does slightly better, with a RMS error of 0.5 kJ/mol.