Table 5. QTAIM Table Showing Calculated Topological Parameters.

compd	bond	CP	ρ(r)	∇2ρ(r)	G(r)	V(r)	H(r)	G(r)/V(r)	ELF	ε	λ1	λ2	λ3	λ1/λ3
TOU@C60	C46–S68	138	0.986	0.272	0.575	–0.470	0.105	–1.223	0.488	0.546	0.340	–0.192	–0.488	–0.696
TOU@C59Au (A1)	Au60–S68	110	0.592	0.116	0.400	–0.513	–0.114	–0.778	0.293	0.210	0.217	–0.553	–0.457	–0.475
	N65–C26	175	0.299	–0.140	0.349	–0.421	–0.386	–0.830	0.992	0.024	–0.126	0.109	–0.123	1.024
	N65–C35	141	0.271	–0.637	0.890	–0.337	–0.248	–2.639	0.931	0.144	0.318	–0.501	–0.445	–0.714
TOU@C59Hf (H1)	Hf60–S68	109	0.395	0.113	0.274	–0.291	–0.170	–0.942	0.178	0.170	0.183	–0.374	–0.319	–0.571
	N63–C35	141	0.594	0.205	0.389	–0.267	0.122	–1.459	0.200	1.502	–0.947	0.238	–0.237	3.998
	N63–C25	175	0.939	0.385	0.734	–0.506	0.228	–1.450	0.260	0.654	0.489	–0.393	–0.650	–0.752
TOU@C59Hg (H2)	Hg60–S68	136	0.570	0.976	0.345	–0.447	–0.102	–0.772	0.330	0.078	0.188	–0.467	–0.433	–0.433
	Hg60–C35	133	0.330	0.855	0.238	–0.263	–0.245	–0.907	0.143	0.278	0.131	–0.256	–0.200	–0.654
	H64–C25	163	0.151	0.523	0.116	–0.102	0.144	–1.141	0.489	2.092	0.748	–0.548	–0.169	–4.413
TOU@C59Ir (I1)	Ir60–S62	110	0.630	0.133	0.459	–0.591	–0.132	–0.776	0.279	0.259	0.231	–0.542	–0.431	–0.535
	H64–C35	153	0.176	0.508	0.125	–0.123	0.217	–1.017	0.691	0.222	0.876	–0.166	–0.202	–4.329
TOU@C59Os (01)	Os60–S68	111	0.673	0.121	0.445	–0.599	–0.153	–0.744	0.338	0.091	0.244	–0.588	–0.642	–0.381
	H67–C35	152	0.137	0.396	0.881	–0.772	0.11 0	–1.142	0.605	1.059	0.603	–0.675	–0.139	–4.336
TOU@C59Pt (P1)	Pt60–S62	121	0.113	0.261	0.107	–0.151	–0.441	–0.708	0.330	0.096	0.511	–0.117	10.131	0.051
TOU@C59Re (R1)	Re60–S68	107	0.628	0.123	0.406	–0.525	–0.118	–0.775	0.325	0.166	0.241	–0.637	–0.546	–0.441
	H66–C35	149	0.149	0.439	0.101	–0.925	0.860	–0.109	0.619	0.291	0.728	–0.126	–0.163	–4.464
TOU@C59W (W1)	W60–H64	124	0.265	0.184	0.124	–0.128	–0.489	–0.963	0.366	0.786	0.236	–0.185	–0.331	–0.714
	C61–C34	144	0.166	0.447	0.100	–0.908	0.924	–0.110	0.865	0.114	0.655	–0.110	–0.983	–0.666