Table 1. Computed SOC Value (cm^–1) and Singlet–Triplet Energy Gaps ΔE_S-T (eV) between States Involved in Possible Deactivation Channels.

	DMN		SDMN		SeDMN
	SOC	ΔES-T	SOC	ΔES-T	SOC	ΔES-T
|⟨ΨS1|Ĥso|ΨT1⟩|	0.5	0.87	127.6	0.47	833.3	0.41
|⟨ΨS1|Ĥso|ΨT2⟩|			4.3	0.18	2371.2	0.15
|⟨ΨS2|Ĥso|ΨT1⟩|			72.7	0.86	572.7	0.78
|⟨ΨS2|Ĥso|ΨT2⟩|			23.4	0.37	1359.3	0.52
|⟨ΨS2|Ĥso|ΨT3⟩|			146.0	0.02	2552.1	0.21
|⟨ΨS3|Ĥso|ΨT1⟩|					1476.5	0.84
|⟨ΨS3|Ĥso|ΨT2⟩|					129.4	0.58
|⟨ΨS3|Ĥso|ΨT3⟩|					334.1	0.27