. 2006 May 24;103(23):8613–8617. doi: 10.1073/pnas.0602982103

Table 1.

Absolute value of dipole moment (D), eigenvalues of quadrupole (Q₁, Q₂, Q₃), and polarizability (P₁, P₂, P₃) tensors for water molecule

Approach	D, Debye	Q₁	Q₂	Q₃	P₁, Å³	P₂, Å³	P₃, Å³
Approach	D, Debye	(Buckingham)			P₁, Å³	P₂, Å³	P₃, Å³
QMPFF2	1.87	−5.22	0.16	5.04	1.42	1.42	1.42
QM	1.87	−5.02	−0.12	5.14	1.37	1.41	1.48