Table 3. Values of the density of all electrons ρ(r), Laplacian of electron density ∇^2ρ(r) and appropriate λ₂ eigenvalues, energy density – H _b, potential energy density – V(r), Lagrangian kinetic energy – G(r), and electron localization function – ELF (a.u.) at the bond critical points (3, −1), corresponding to bifurcated chalcogen-hydrogen bonding Se⋯Cl⁻⋯H—C in the structure, and estimated strength for these inter­actions E _int ≃ –V(r)/2 (kcal mol⁻¹).

The Bondi (1966 ▸) van der Waals radii for the H, Se, and Cl atoms are 1.20, 1.90, and 1.75 Å, respectively.

Contact (Å)	ρ(r)	∇2ρ(r)	λ2	H b	V(r)	G(r)	ELF	E int
Se⋯Cl− 2.900	0.027	0.060	−0.027	0.000	−0.015	0.015	0.170	4.7
C–H⋯Cl− 2.609	0.012	0.043	−0.012	0.002	−0.006	0.008	0.045	1.9
Se⋯Cl− 2.957	0.024	0.056	−0.024	0.001	−0.013	0.014	0.142	4.1
C–H⋯Cl− 2.617	0.012	0.041	−0.012	0.002	−0.006	0.008	0.045	1.9
Se⋯Cl− 2.934	0.025	0.058	−0.025	0.000	−0.014	0.014	0.147	4.4
C–H⋯Cl− 2.667	0.011	0.037	−0.011	0.002	−0.005	0.007	0.041	1.6
Se⋯Cl− 2.920	0.026	0.058	−0.026	0.000	−0.015	0.015	0.165	4.7
C–H⋯Cl− 2.633	0.012	0.040	−0.012	0.002	−0.006	0.008	0.044	1.9