BDEs (in kcal mol⁻¹) of C(N)–H and C–F bonds of 2H-4FPP supported on Au(111) with pre-adsorbed Au adatom calculated with PBE0 + D3 (cf., scheme to Table 2 and Fig. S2).

Configuration	BDE	Configuration	BDE
1@Au1	84.4	5@Au5	90.8
2@Au1	92.7	1@Au34	101.3
3@Au1	99.7	2@Au34	96.5
4@Au1	96.7	3@Au34	88.2
5@Au1	104.5	4@Au34	81.8
2@Au2	85.9	5@Au34	128.0
3@Au3	83.0	5@Au56	116.5
4@Au4	83.1	6@Au56	105.4