Relative polymorph energies for molecule X are given in Fig. . Once again, the predicted lattice energies improve significantly when DC-DFT is used instead of self-consistent DFT. At the same time, some of the energy orderings remain sensitive to the choice of functional, even when DC-DFT is used. This largely reflects the difficulty of the problem, with relative energy changes of ∼ 1 kJ/mol being enough to affect the ordering. In this particular example, DC-SCAN+D3 (based on semilocal SCAN rather than the hybrid SCAN0) best reproduces the CCSD(T) benchmarks. We next discuss results for the anti-cancer drug axitinib. This drug has five known conformational polymorphs that are denoted I, IV, VI, XXV, and XLI, and many more multi-component crystal forms. In most polymorphs, the axitinib molecule adopts an extended conformation but in the thermodynamically most stable XLI form, however, rotation about the sulfur group leads to a more folded conformation. In the process, the π conjugation between the aromatic ring and the terminal amide moiety is disrupted; see Fig. . This causes the XLI form to be artificially destabilized by GGA functionals, leading to erroneous polymorph energy rankings. Relative energies of axitinib conformers are shown in Fig. . New DLPNO-CCSD(T 1 )/CBS calculations performed here afford the following energetic ordering for the isolated monomer: