NBO and AIM charge analyses of the [M(CO)₆]⁺˙ triad (@B3LYP-D3BJ/def2-TZVPP, D_3d symmetry).

		Charge (NBO)	Charge (AIM)
[Cr(CO)6]+˙	Cr	−0.95	+1.29
	C	+0.67	+1.05
	O	−0.35	−1.10
[Mo(CO)6]+˙	Mo	−0.57	+1.49
	C	+0.60	+1.01
	O	−0.34	−1.09
[W(CO)6]+˙	W	−0.34	+1.66
	C	+0.56	+0.98
	O	−0.34	−1.09