Table 2. Topological properties of the spin up and spin down densities at critical points in the neighbouring Cu atom.

Bond	d (Å)	ρ(CP) (e Å−3)	∇2 ρ(CP) (e Å−5)	d 1-bcp (Å)	λ1 (e Å−5)	λ2 (e Å−5)	λ3 (e Å−5)
Spin up
Cu—O1	1.936	0.36	6.38	0.966	−2.05	−1.90	10.33
Cu—N1	1.961	0.34	5.90	0.979	−1.65	−1.53	9.09
Cu—N5	2.003	0.31	4.51	1.002	−1.57	−1.52	7.60
Cu—N2	2.036	0.30	4.56	1.004	−1.57	−1.34	7.47
Spin down
Cu—O1	1.936	0.33	5.73	0.965	−1.83	−1.66	9.22
Cu—N1	1.960	0.33	5.48	0.970	−1.59	−1.43	8.50
Cu—N5	2.003	0.29	4.09	0.997	−1.47	−1.39	6.94
Cu—N2	2.037	0.29	4.15	1.000	−1.47	−1.21	6.84