Table 2.

Stabilities (only thiolate/thiolate and imidazolium: full optimization/thiolate and imidazolium: R(S-CX) fixed at 1.9 Å) of the Meisenheimer complexes in a polar solvent [in kcal/mol]. For all calculations the 6-31 + G* basis sets were employed. For further information see main text and Figure 6.

Structure	ωB97XD	MP2	SCS-MP2
Pre-complex	–8.8/–9.0/	–12.3/–16.0/-	–10.3/–12.8/
S-CH	+0.8/–11.5/–6.8	–6.6/–16.0/–12.8	–4.1/–12.9/–9.3
S-CF	–3.3/–13.1/–3.1	–13.2/–20.3/–12.5	–11.1/–16.5/–10.1
S-NO2	–2.7/–9.3/+3.3	–11.9/–17.0/–5.3	–9.1/–13.3/–2.9