Strikingly, just replacing the t-LMF in LH20t-D4 by the n-LMF to get LH24n- B95-D4 lowers the overall WTMAD-2 by more than 1 kcal/mol. This highlights the suboptimal nature of the t-LMF. The improvements are consistent across all subcategories, with reductions of more than 1.2 kcal/mol observed in barrier heights, inter-and intra-molecular NCIs, and somewhat less for basic & small and iso & large.