Table 4. Dipoles, μ, (Debye), and Electronic Energies (kcal/mol) for the Investigated Structures of Ph₂Se₂-(pOCH₃)₂^a.

	Ψ = 90°, R = syn		Ψ = 90°, R = anti		Ψ = 180°, R = syn		Ψ = 180°, R = anti
	dipole (D)	ΔE (kcal/mol)	dipole (D)	ΔE (kcal/mol)	dipole (D)	ΔE (kcal/mol)	dipole (D)	ΔE (kcal/mol)
gas	5.156	0.02	4.086	0.00	2.330	4.45	0.032	4.44
toluene	5.094	–8.96	4.800	–8.99	2.774	–4.66	0.024	–4.67
DMSO	7.306	–8.09	5.636	–7.85	3.407	–3.98	0.026	–3.99

^aLevel of Theory (SMD)-B3LYP/cc-pVTZ.