Table 1. Vertical Excitation Spectrum of tEtEtEc-26DMDP—Vertical Excitation Energies (ΔE) and Associated Oscillator Strengths (f)^a.

state	ΔE, eV	f	μ, debye
S0 (1 1Ag)			0.60
S1 (2 1Ag/1 1Bu)	4.041	0.714	0.49
S2 (2 1Ag/1 1Bu)	4.114	0.547	0.56
S3 (2 1Bu)	5.025	0.004	0.65
S4 (3 1Ag)	5.818	5 × 10–4	0.76
S5 (3 1Bu)	6.259	4 × 10–4	0.65

^aμ is the magnitude of the (unrelaxed) electric dipole moment of the given state. The calculation was performed at the XMS(6)-CASPT2/cc-pVDZ level of theory at the ground-state equilibrium geometry optimized at the XMS(2)-CASPT2/cc-pVDZ level (see Figure 6a).