Complexes	Wb97xd					B3lyp
Complexes	E_p	E_a	E_c	^aVEA_S0	^bVIP_S0	E_p	E_a	E_c	^aVEA_S0	^bVIP_S0
α-RuCl₂(Azpy)₂	−1300.99	−1301.08	−1300.74	−0.08	0.25	−1301.40	−1301.46	−1301.14	−0.08	0.24
$Fac-Ru {(Azpy)}_{3}^{2 +}$	−1859.08	−1859.36	−1858.61	−0.28	0.47	−1859.70	−1859.96	−1859.21	−0.29	0.47
$Mer-Ru {(Azpy)}_{3}^{2 +}$	−1859.08	−1859.36	−1858.61	−0.28	0.48	−1859.70	−1859.96	−1859.21	−0.29	0.47
$Ru {(Bipy)}_{3}^{2 +}$	−1579.03	−1579.25	−1578.59	−0.22	0.44	−1579.50	−1579.76	−1579.07	−0.24	0.44
NAMI	−606.21	−606.26	−605.89	−0.04	0.33	−606.34	−606.259	−606.195	0.08	0.15
NAMI-A	−545.09	−545.04	−544.56	0.05	0.53	−545.19	−545.138	−545.02	0.05	0.17
RuCl₃Terpy	−881.02	−881.12	−880.73	−0.09	0.30	−881.26	−881.353	−880.97	−0.09	0.29
RuCl₃(H₂O)₂Gly	−576.02	−576.09	−575.64	−0.08	0.38	−576.14	−576.212	−575.82	−0.07	0.32
RuCl₃(H₂O)₃	−368.09	−368.16	−367.71	−0.08	0.38	−368.15	−368.21	−367.83	−0.06	0.33