Table 5. Dipole Moment p (debye) of a Sulfolane Molecule in the Gas Phase Obtained By All Force Fields and Quantum Chemical Calculation^a.

description	p/debye	Δp (%)
MP2/aug-cc-pvdz	5.646
force field of ref (2)	6.178	9.42
OPLS	5.425	–3.91
this work	5.922	4.89

^aThe dipole moment predicted from the refined force field (this work) uses the derived DDEC6 liquid phase charges reported under “This work”in Table 1. The experimentally determined gas-phase dipole moment is 4.69 debye.¹ The deviation Δp has been calculated with respect to the MP2/aug-cc-pvdz value.