\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}{\emph{aug}-cc-pVDZ} \newcommand{\AVTZ}{\emph{aug}-cc-pVTZ} \newcommand{\DAVTZ}{d-\emph{aug}-cc-pVTZ} \newcommand{\AVQZ}{\emph{aug}-cc-pVQZ} \newcommand{\AVFZ}{\emph{aug}-cc-pV5Z} \newcommand{\DAVQZ}{d-\emph{aug}-cc-pVQZ} \newcommand{\TAVQZ}{t-\emph{aug}-cc-pVQZ} \newcommand{\AVPZ}{\emph{aug}-cc-pV5Z} \newcommand{\DAVPZ}{d-\emph{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{14}{c}{Cyanogen}\\ & \multicolumn{4}{c}{\Pop} & \multicolumn{4}{c}{\AVDZ}& \multicolumn{3}{c}{\AVTZ} & \multicolumn{1}{c}{\AVQZ} & \multicolumn{1}{c}{\AVPZ} & \multicolumn{1}{c}{Litt.}\\ State & {\CCT} & {\CCSDT} & {\CCSDTQ} & {\FCI} & {\CCT} & {\CCSDT} & {\CCSDTQ} & {\FCI}& {\CCT} & {\CCSDT} & {\NEV}& {\CCT} & {\CCT}& Exp.$^d$ \\ \hline $^1\Sigma_u^-$ &6.62&6.63&6.62&6.58$\pm$0.03 &6.52&6.52&6.51&6.44$\pm$0.08 &6.39&6.40&6.32& 6.38 &6.38 &5.63\\ $^1\Delta_u$ &6.88&6.89&6.88&6.87$\pm$0.02 &6.77&6.78&6.77&6.74$\pm$0.04 &6.66&6.67&6.66& 6.64 &6.64 &5.99\\ $^3\Sigma_u^+$ &4.92&4.92&4.94&4.91$\pm$0.06 &4.89&4.89& &4.87$\pm$0.07 &4.90&4.89&4.88& 4.91 &4.91 &4.13\\ $^1\Sigma_u^-[\mathrm{F}]^c$ &5.27&5.28&5.26&5.31$\pm$0.05 &5.19&5.20&5.18&5.26$\pm$0.09 &5.06&5.07&4.97& 5.05 &5.05 & \\ \end{tabular}