Table 1. Relative Energies and HOMO–LUMO Gaps of Model Structures of Au₂₄ and Au₂₄Cl₄.

Au24			Au24Cl4
model	ΔE/eVa	HLG/eVb	model	ΔE/eVa	HLG/eVb
1	0	1.56	1Cl	0.33	1.10
2	0.02	1.28	2Cl	1.05	1.64
3	0.30	1.12	3Cl	0.14	1.64
4	0.31	1.60	4Cl	0	1.60
5	0.33	1.11	5Cl	0.72	1.25
6	0.61	1.29	6Cl	0.18	1.40
7	1.64	1.20	–

^aRelative energy.

^bHOMO–LUMO gap.