List of the solvents and the CFCl₃ ¹⁹F NMR shielding constants in each solvent at the levels: ωb97xd/aug-ccpvdz, B3LYP/def2svpp, ωb97XD/aug-pcSseq1, MP2/aug-cc-pvdz, ωb97XD/def2svpp, B3LYP/aug-cc-pvdz, B3LYP+GD3BJ/aug-cc-pvdz and B3LYP+GD3BJ/def2svpp.

We followed the same procedure as for the NMR chemical shifts calculations for the other molecules. We optimised the CFCl₃ in each solvent, at each level of theory, then used the calculated shielding constant as a reference. All the calculations can be found in DOI: 10.14469/hpc/9855.