\newcommand{\Pop}{6-31+G(d)} \newcommand{\AVDZ}{aug-cc-pVDZ} \newcommand{\AVTZ}{aug-cc-pVTZ} \newcommand{\DAVTZ}{d-aug-cc-pVTZ} \newcommand{\AVQZ}{aug-cc-pVQZ} \newcommand{\DAVQZ}{d-aug-cc-pVQZ} \newcommand{\TAVQZ}{t-aug-cc-pVQZ} \newcommand{\AVFZ}{aug-cc-pV5Z} \newcommand{\DAVFZ}{d-aug-cc-pV5Z} \newcommand{\ra}{\rightarrow} \newcommand{\pis}{\pi^\star} \newcommand{\si}{\sigma} \newcommand{\sis}{\sigma^\star} \newcommand{\nO}{n_\text{O}} \newcommand{\nN}{n_\text{N}} \begin{dfbOptions} \format{DoubleTBE} \suffix{double} \end{dfbOptions} \begin{tabular} Molecule & Transition & \multicolumn{2}{c}{Reference} & \multicolumn{2}{c}{Correction} & \multicolumnc{TBE} \\ & & Level R/SB & $\Delta E_\text{R/SB}$ & Level C/LB & $\Delta E_\text{C/LB} - \Delta E_\text{C/SB}$ &\\ Acrolein & $1\,^1A^\prime \ra 3\,^1A^\prime$ & FCI/6-31+G(d) & 8.00 & CC3/AVTZ & -0.13 & 7.87 \\ Benzene & $1\,^1A_{1g} \ra 1\,^1E_{2g}$ & FCI/6-31+G(d) & 8.40 & CC3/AVTZ & -0.12 & 8.28 \\ & $1\,^1A_{1g} \ra 2\,^1A_{1g}$ & XMS-CASPT2/AVQZ & 10.54 & \cdash & \cdash & 10.54 \\ Beryllium & $1\,^1S \ra 1\,^1D$ & Ref.~\onlinecite{Galvez_2002} & 7.06 & \cdash & \cdash & 7.06 \\ Butadiene & $1\,^1A_g \ra 2\,^1A_g$ & FCI/AVDZ & 6.51 & CC3/AVQZ & -0.01 & 6.50 \\ Carbon dimer & $1\,^1\Sigma_g^+ \ra 1\,^1\Delta_g$ & FCI/AVQZ & 2.06 & \cdash & \cdash & 2.06 \\ & $1\,^1\Sigma_g^+ \ra 2\,^1\Sigma_g^+$ & FCI/AVQZ & 2.40 & \cdash & \cdash & 2.40 \\ Carbon trimer & $1\,^1\Sigma_g^+ \ra 1\,^1\Delta_g$ & FCI/AVQZ & 5.23 & \cdash & \cdash & 5.23 \\ & $1\,^1\Sigma_g^+ \ra 2\,^1\Sigma_g^+$ & FCI/AVQZ & 5.86 & \cdash & \cdash & 5.86 \\ Ethylene & $1\,^1A_g \ra 2\,^1A_g$ & FCI/AVTZ & 12.92 & CC3/AVQZ & -0.36 & 12.56 \\ Formaldehyde & $1\,^1A_1 \ra 3\,^1A_1$ & FCI/AVTZ & 10.35 & CC3/AVQZ & -0.01 & 10.34 \\ Glyoxal & $1\,^1A_g \ra 2\,^1A_g$ & FCI/AVDZ & 5.48 & CC3/AVQZ & +0.06 & 5.54 \\ Hexatriene & $1\,^1A_g \ra 2\,^1A_g$ & CC3/AVDZ & 5.77 & PC-NEVPT2/AVQZ & -0.02 & 5.75 \\ Nitrosomethane & $1\,^1A^\prime \ra 2\,^1A^\prime$ & FCI/AVTZ & 4.76 & CC3/AVQZ & -0.02 & 4.74 \\ Nitroxyl & $1\,^1A^\prime \ra 2\,^1A^\prime$ & FCI/AVQZ & 4.32 & \cdash & \cdash & 4.32 \\ Pyrazine & $1\,^1A_g \ra 2\,^1A_g$ & PC-NEVPT2/AVQZ & 8.04 & \cdash & \cdash & 8.04 \\ & $1\,^1A_g \ra 3\,^1A_g$ & CC3/AVTZ & 8.69 & PC-NEVPT2/AVQZ & +0.00 & 8.69 \\ Tetrazine & $1\,^1A_g \ra 2\,^1A_g$ & PC-NEVPT2/AVQZ & 4.60 & \cdash & \cdash & 4.60 \\ & $1\,^1A_g \ra 1\,^1B_{3g}$ & PC-NEVPT2/AVQZ & 6.14 & \cdash & \cdash & 6.14 \\ & $1\,^1A_g \ra 1\,^3B_{3g}$ & PC-NEVPT2/AVQZ & 5.51 & \cdash & \cdash & 5.51 \\ \end{tabular}