Table 6: Vertical excitation energies (in eV) and dominant electron configuration of the lowest electronic states of $\textit {l}$-CSiCC. These energies are given with respect to the X3 $\Sigma ^{-}$ ground state.
State CASSCF/cc-pVTZa MRCI+Q/cc-pVTZb Electron configuration
$X^{3}\Sigma^{-}$ 0.0 0.0 $ (11 \sigma)^2 (2 \pi)^4 (3 \pi)^2 $
$ {}^1 \Delta $ 0.43 0.69 $ (11 \sigma)^2 (2 \pi)^4 (3 \pi)^2 $
$ {}^1\Sigma^{+}$ 0.79 0.98 $ (11 \sigma)^2 (2 \pi)^4 (3 \pi)^2 $
$ {}^3 \Pi $ 1.17 1.11 $ (11 \sigma)^1 (2 \pi)^4 (3 \pi)^3 $
$ {}^1 \Sigma^- $ 1.62 2.19 $ (11 \sigma)^2 (2 \pi)^3 (3 \pi)^3 $
$ {}^1 \Pi $ 2.73 2.27 $ (11 \sigma)^1 (2 \pi)^4 (3 \pi)^3 $
$ {}^3 \Delta $ 1.97 2.32 $ (11 \sigma)^2 (2 \pi)^3 (3 \pi)^3 $
$ {}^3 \Sigma^+ $ 1.71 2.38 $ (11 \sigma)^2 (2 \pi)^3 (3 \pi)^3 $
$ {}^5 \Pi $ 3.20 3.31 $ (11 \sigma)^1 (2 \pi)^4 (3 \pi)^2 (4 \pi)^1 $
$ {}^1 \Pi $ 3.87 3.48 $ (11 \sigma)^1 (2 \pi)^4 (3 \pi)^3 $
$ {}^3 \Pi $ 3.44 3.55 $ (11 \sigma)^1 (2 \pi)^3 (3 \pi)^4 $
$ {}^5 \Sigma^- $ 3.02 3.69 $ (11 \sigma)^2 (2 \pi)^3 (3 \pi)^2 (4 \pi)^1 $
$ {}^5 \Sigma^+ $ 3.98 4.37 $ (11 \sigma)^2 (2 \pi)^4 (3 \pi)^2 (4 \pi)^1 $
$ {}^5 \Pi $ 4.08 4.67 $ (11 \sigma)^2 (12 \sigma)^1 (2 \pi)^3 (3 \pi)^2 $

a E(CASSCF/cc-pVTZ) = -402.347488 $E_{\rm h}$; b E(MRCI+Q/cc-pVTZ) = -402.781500 $E_{\rm h}$.

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