Table 5. Energy Decomposition Analysis for the Stepwise Formation of Iodoform Trimer (in kcal mol^–1)^a.

	(CHI3) + (CHI3)	(CHI3)2 + (CHI3)	ΔEsyn
ΔEint	–3.28	–7.62	–1.05
ΔVelstat	–5.87	–11.55	0.19
ΔEoi	–3.80	–8.19	–0.59
ΔEPauli	11.84	23.03	–0.65
ΔEdisp	–5.45	–10.91	–0.01

^aRefcode: IODOFO04. Computed at the ZORA-BLYP-D3(BJ)/TZ2P level.