\newcommand{\titou}[1]{\textcolor{purple}{#1}} \newcommand{\beurk}[1]{\textcolor{darkgreen}{#1}} \newcommand{\trash}[1]{\textcolor{purple}{\sout{#1}}} \newcommand{\multicolumn}{\multicolumn} \newcommand{\mr}{\multirow} \newcommand{\ra}{\rightarrow} \newcommand{\eg}{\textit{e.g.}} \newcommand{\ie}{\textit{i.e.}} \newcommand{\EFCI}{E_\text{FCI}} \newcommand{\EexCI}{E_\text{exCI}} \newcommand{\ESCI}{E_\text{SCI}} \newcommand{\EPT}{E_\text{PT2}} \newcommand{\PsiSCI}{\Psi_\text{SCI}} \newcommand{\Ndet}{N_\text{det}} \newcommand{\ex}[6]{$^{#1}#2_{#3}^{#4}(#5 \ra #6)$} \newcommand{\Td}{\%T_1} \newcommand{\TDDFT}{TD-DFT} \newcommand{\CASSCF}{CASSCF} \newcommand{\CASPT}{CASPT2} \newcommand{\NEV}{NEVPT2} \newcommand{\PNEV}{PC-NEVPT2} \newcommand{\SNEV}{SC-NEVPT2} \newcommand{\AD}{ADC(2)} \newcommand{\AT}{ADC(3)} \newcommand{\CCD}{CC2} \newcommand{\CCSD}{CCSD} \newcommand{\STEOM}{STEOM-CCSD} \newcommand{\CCT}{CC3} \newcommand{\EOMCCSD}{EOM-CCSD} \newcommand{\CCSDT}{CCSDT} \newcommand{\CCSDTQ}{CCSDTQ} \newcommand{\CCSDTQP}{CCSDTQP} \newcommand{\CI}{CI} \newcommand{\SCI}{SCI} \newcommand{\exCI}{exCI} \newcommand{\FCI}{FCI} \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{\AVFZ}{aug-cc-pV5Z} \newcommand{\DAVQZ}{d-aug-cc-pVQZ} \newcommand{\TAVQZ}{t-aug-cc-pVQZ} \newcommand{\AVPZ}{aug-cc-pV5Z} \newcommand{\DAVPZ}{d-aug-cc-pV5Z} \newcommand{\IneV}[1]{#1 eV} \newcommand{\InAU}[1]{#1 a.u.} \newcommand{\InAA}[1]{#1 \AA} \newcommand{\MaxP}{Max($+$)} \newcommand{\MaxN}{Max($-$)} \newcommand{\pis}{\pi^\star} \newcommand{\Ryd}{\mathrm{R}} \newcommand{\Val}{\mathrm{V}} \newcommand{\LCPQ}{Laboratoire de Chimie et Physique Quantiques, CNRS et Universit\'e Toulouse III - Paul Sabatier, 118 route de Narbonne, 31062 Toulouse, France} \newcommand{\CEISAM}{Universit\'e de Nantes, CNRS, CEISAM UMR 6230, F-44000 Nantes, France} \newcommand{\Pisa}{Dipartimento di Chimica e Chimica Industriale, University of Pisa, Via Moruzzi 3, 56124 Pisa, Italy} \begin{tabular}{l|p{.5cm}p{1.0cm}p{1.2cm}p{1.4cm}|p{.5cm}p{1.0cm}p{1.2cm}p{1.4cm}|p{.5cm}p{1.0cm}p{1.2cm}|p{.5cm}|p{.5cm}|p{.6cm}p{.6cm}} & \multicolumn{12}{c}{Methylenecyclopropene}\\ & \multicolumn{4}{c}{\Pop} & \multicolumn{2}{c}{\AVDZ}& \multicolumn{3}{c}{\AVTZ} & \multicolumn{3}{c}{Litt.}\\ State & {\CCT} & {\CCSDT} & {\CCSDTQ} & {\FCI} & {\CCT} & {\CCSDT}& {\CCT} & {\CCSDT} & {\NEV}& Th.$^c$ & Th.$^d$ & Exp.$^e$\\ $^1B_2 (\pi \ra \pis)$ &4.38&4.37&4.34& 4.32$\pm$0.03 &4.32&4.31 &4.31&4.31 &4.37 &4.13&4.36 &4.01\\ $^1B_1 (\pi \ra 3s)$ &5.65&5.66&5.66& &5.35&5.35 &5.44&5.44 &5.49 &5.32&5.44 &5.12\\ $^1A_2 (\pi \ra 3p)$ &5.97&5.98&5.98& 5.92$\pm$0.10 &5.86&5.88 &5.95&5.96 &6.00 &5.83& &\\ $^1A_1(\pi \ra \pis)$ $^f$ &6.17&6.18&6.17& 6.20$\pm$0.01 &6.15&6.15 &6.13&6.13 &6.36 & &6.13 &6.02\\ $^3B_2 (\pi \ra \pis)$ &3.50&3.50& & 3.44$\pm$0.06 &3.49&3.49$^g$&3.50&3.49 &3.66 &3.24& &\\ $^3A_1 (\pi \ra \pis)$ &4.74&4.74& & 4.67$\pm$0.10 &4.74&4.74$^g$&4.74& &4.87 &4.52& &\\ \end{tabular}