\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}}
\newcommand{\piCC}{\pi_{\ce{CC}}}
\newcommand{\pisCC}{\pi_{\ce{CC}}^\star}
\newcommand{\piCO}{\pi_{\ce{CO}}}
\newcommand{\pisCO}{\pi_{\ce{CO}}^\star}
\newcommand{\siCC}{\si_{\ce{CC}}}
\newcommand{\sisCC}{\si_{\ce{CC}}^\star}
\newcommand{\siCO}{\si_{\ce{CO}}}
\newcommand{\sisCO}{\si_{\ce{CO}}^\star}
\begin{dfbOptions}
  \format{DoubleColumn}
  \suffix{double}
\end{dfbOptions}
\begin{tabular}
	Molecule		&	Transition					&	Method	&	\multicolumn{4}{c}{Basis set}						&	\multicolumn{1}{c}{Lit.}	\\					
					&							&			&\multicolumn{1}{c}{6-31+G(d)}&	\multicolumn{1}{c}{\AVDZ}&	\multicolumn{1}{c}{\AVTZ}&	\multicolumn{1}{c}{\AVQZ}				&\\
	Acrolein		&	$1\,^1A^\prime \ra 3\,^1A^\prime$	
												&	FCI		&	8.00(3)		&				&				&				&	8.16$^a$	\\
					&	$\pi,\pi \ra \pis,\pis$
												&	CC3($\%T_1$)&	8.21(73\%)	&	8.11(75\%)	&	8.08(75\%)	&				&			\\
					&							&	CASPT2		&	7.93		&	7.93		&	7.85		&	7.84		&			\\
					&							&	MS-CASPT2	&	8.36		&	8.30		&	8.28		&	8.30		&			\\
					&							&	XMS-CASPT2	&	8.18		&	8.12		&	8.07		&	8.07		&			\\
					&							&	PC-NEVPT2	&	7.91		&	7.93 		&	7.85		&	7.84		&			\\
					&							&	SC-NEVPT2	&	8.08		&	8.09 		&	8.01		&	8.00		&			\\
	\\
	Benzene			&	$1\,^1A_{1g} \ra 1\,^1E_{2g}$		
												&	FCI		&	8.40(3)		&			 	&				&				&	8.41$^b$			\\
					&	$\pi,\pi \ra \pis,\pis$	
												&	CCSDT		&	8.42		&	8.38	 	&				&				&		\\
					&							&	CC3($\%T_1$)&	8.50(72\%)	&	8.44(72\%) 	&	8.38(73\%)	&				&			\\
					&							&	CASPT2		&	8.43		&	8.40 		&	8.34		&	8.34		&			\\
					&							&	PC-NEVPT2	&	8.58		&	8.56 		&	8.51		&	8.52		&			\\
					&							&	SC-NEVPT2	&	8.62		&	8.61 		&	8.56		&	8.56		&			\\
	\\
					&	$1\,^1A_{1g} \ra 2\,^1A_{1g}$		
												&	CASPT2		&	10.54		&	10.38 		&	10.28		&	10.27		&	10.20$^c$		\\
					&	$\pi,\pi \ra \pis,\pis$							
												&	MS-CASPT2	&	11.08		&	11.00 		&	10.96		&	10.97		&			\\
					&							&	XMS-CASPT2	&	10.77		&	10.64 		&	10.55		&	10.54		&			\\
					&							&	PC-NEVPT2	&	10.35		&	10.18	 	&	10.00		&				&			\\
					&							&	SC-NEVPT2	&	10.63		&	10.48 		&	10.38		&	10.36		&			\\
	\\
	Beryllium		&	$1\,^1S \ra 1\,^1D$		
												&	FCI		&	8.04(0)		&	7.22(0)		&	7.15(0)		&	7.11(0)		&	7.06$^d$	\\
					&	$2s,2s \ra 2p,2p$	
												&	CCSDTQ		&	8.04		&	7.23 		&	7.15		&	7.11		&			\\
					&							&	CCSDT		&	8.04		&	7.22 		&	7.15		&	7.11		&			\\
					&							&	CC3($\%T_1$)&	8.04(2\%)	&	7.23(29\%) 	&	7.17(32\%)	&	7.12(34\%)	&			\\
					&							&	CASPT2		&	8.02	   	&	7.21		&	7.12		&	7.10		&			\\
					&							&	NEVPT2		&	8.01	   	&	7.20		&	7.11		&	7.10		&			\\
	\\
	Butadiene		&	$1\,^1A_g \ra 2\,^1A_g$	
												&	FCI		&	6.55(3)		&	6.51(12)	&				&				&	6.55$^e$, 6.39$^f$, 6.58$^g$	\\
					&	$\pi,\pi \ra \pi,\pi$
												&	CCSDT		&	6.63		&	6.59 		&				&				&			\\
					&							&	CC3($\%T_1$)&	6.73(74\%)	&	6.68(76\%)	&	6.67(75\%)	&	6.67(75\%)	&			\\
					&							&	CASPT2		&	6.80		&	6.78		&	6.74		&	6.75		&			\\
					&							&	PC-NEVPT2	&	6.75	   	&	6.74		&	6.70		&	6.70		&			\\
					&							&	SC-NEVPT2	&	6.83		&	6.82		&	6.78		&	6.78		&			\\
	\\
	Carbon dimer	&	$1\,^1\Sigma_g^+ \ra 1\,^1\Delta_g$
												&	FCI		&	2.29(0)		&	2.21(0)		&	2.09(0)		&	2.06(0)		&	2.11$^h$	\\
					&	$\pi,\pi \ra \si,\si$			
												&	CCSDTQP		&	2.29		&	2.21		&				&				&			\\
					&							&	CCSDTQ		&	2.32		&	2.24 		&	2.13		&				&			\\
					&							&	CCSDT		&	2.69		&	2.63 		&	2.57		&	2.57		&			\\
					&							&	CC3($\%T_1$)&	3.10(0\%)	&	3.11(0\%) 	&	3.05(0\%)	&	3.03(0\%)	&			\\
					&							&	CASPT2		&	2.40	   	&	2.36		&	2.24		&	2.21		&			\\
					&							&	PC-NEVPT2	&	2.33	   	&	2.26		&	2.12		&	2.08		&			\\
					&							&	SC-NEVPT2	&	2.35		&	2.28 		&	2.14		&	2.11		&			\\
	\\
					&	$1\,^1\Sigma_g^+ \ra 2\,^1\Sigma_g^+$	
												&	FCI		&	2.51(0)		&	2.50(0)		&	2.42(0)		&	2.40(0)		&	2.43$^h$, 2.46$^i$	\\
					&	$\pi,\pi \ra \si,\si$
												&	CCSDTQP		&	2.51		&	2.50		&				&				&			\\
					&							&	CCSDTQ		&	2.52		&	2.52 		&	2.45		&				&			\\
					&							&	CCSDT		&	2.86		&	2.87 		&	2.86		&	2.87		&			\\
					&							&	CC3($\%T_1$)&	3.23(0\%)	&	3.28(0\%) 	&	3.26(0\%)	&	3.24(0\%)	&			\\
					&							&	CASPT2		&	2.62	   	&	2.65		&	2.53		&	2.50		&			\\
					&							&	PC-NEVPT2	&	2.54	   	&	2.54		&	2.42		&	2.39		&			\\
					&							&	SC-NEVPT2	&	2.58		&	2.60 		&	2.48		&	2.44		&			\\
	\\
	Carbon trimer	&	$1\,^1\Sigma_g^+ \ra 1\,^1\Delta_g$
												&	FCI		&	5.27(1)		&	5.21(0)		&	5.22(4)		&	5.23(5)		&			\\
					&	$\pi,\pi \ra \si,\si$
												&	CCSDTQ		&	5.35		&	5.31 		&				&				&			\\
					&							&	CCSDT		&	5.85		&	5.82 		&	5.90		&	5.92		&			\\
					&							&	CC3($\%T_1$)&	6.65(0\%)	&	6.65(0\%) 	&	6.68(1\%)	&	6.66(1\%)	&			\\
					&							&	CASPT2		&	5.13	   	&	5.06		&	5.08		&	5.08		&			\\
					&							&	PC-NEVPT2	&	5.26	   	&	5.24		&	5.25		&	5.26		&			\\
					&							&	SC-NEVPT2	&	5.21		&	5.19 		&	5.21		&	5.22		&			\\
	\\
					&	$1\,^1\Sigma_g^+ \ra 2\,^1\Sigma_g^+$	
												&	FCI		&	5.93(1)		&	5.88(0)		&	5.91(2)		&	5.86(1)		&			\\
					&	$\pi,\pi \ra \si,\si$
					 							&	CCSDTQ		&	6.02		&	6.00 		&				&				&			\\
					&							&	CCSDT		&	6.52		&	6.49		&	6.57		&	6.58		&			\\
					&							&	CC3($\%T_1$)&	7.20(1\%)	&	7.20(1\%) 	&	7.24(1\%)	&	7.22(1\%)	&			\\
					&							&	CASPT2		&	5.86	   	&	5.81		&	5.82		&	5.82		&			\\
					&							&	PC-NEVPT2	&	5.97	   	&	5.97		&	5.99		&	5.99		&			\\
					&							&	SC-NEVPT2	&	5.98		&	5.97 		&	5.99		&	6.00		&			\\
	\\
	Ethylene		&	$1\,^1A_g \ra 2\,^1A_g$
												&	FCI		&	13.38(6)	&	13.07(1)	&	12.92(6)	&				&	12.15$^j$		\\
					&	$\pi,\pi \ra \pis,\pis$
												&	CCSDTQP		&	13.39		&			 	&				&				&			\\
					&							&	CCSDTQ		&	13.39		&	13.07		&				&				&			\\
					&							&	CCSDT		&	13.50		&	13.20		&				&				&			\\
					&							&	CC3($\%T_1$)&	13.82(4\%)	&	13.57(15\%)	&	13.42(20\%)	&	13.06(61\%)	&			\\
					&							&	CASPT2		&	13.49		&	13.23		&	13.17		&	13.17		&			\\
					&							&	MS-CASPT2	&	13.51		&	13.26		&	13.21		&	13.21		&			\\
					&							&	XMS-CASPT2	&	13.50		&	13.25		&	13.20		&	13.20		&			\\
					&							&	PC-NEVPT2	&	14.35		&	13.42		&	13.11		&	13.04		&			\\
					&							&	SC-NEVPT2	&	13.57		&	13.33 		&	13.26		&	13.26		&			\\
	\\
	Formaldehyde	&	$1\,^1A_1 \ra 3\,^1A_1$		
												&	FCI		&	10.86(1)	&	10.45(1)		&	10.35(3)		&				&	9.82$^c$	\\	
					&	$n,n \ra \pis,\pis$	
												&	CCSDTQP		&	10.86		&		 		&				&				&			\\
					&							&	CCSDTQ		&	10.87		&	10.44	 	&				&				&			\\
					&							&	CCSDT		&	11.10		&	10.78	 	&	10.79		&	10.80		&			\\
					&							&	CC3($\%T_1$)&	11.49(5\%)	&	11.22(4\%) 	&	11.20(5\%)	&	11.19(34\%)	&			\\
					&							&	CASPT2		&	10.80		&	10.38		&	10.27		&	10.26		&			\\
					&							&	MS-CASPT2	&	10.86		&	10.45		&	10.35		&	10.34		&			\\
					&							&	XMS-CASPT2	&	10.87		&	10.47		&	10.36		&	10.34		&			\\
					&							&	PC-NEVPT2	&	10.84		&	10.37		&	10.26		&	10.25		&			\\
					&							&	SC-NEVPT2	&	10.87		&	10.40 		&	10.30		&	10.29		&			\\
	\\
	Glyoxal			&	$1\,^1A_g \ra 2\,^1A_g$		
												&	FCI		&	5.60(1)		&	5.48(0)		&				&				&	5.66$^k$	\\
					&	$n,n \ra \pis,\pis$
												&	CCSDT		&	6.24		&	6.22		&	6.35		&				&			\\
					&							&	CC3($\%T_1$)&	6.74(0\%)	&	6.70(1\%) 	&	6.76(1\%)	&	6.76(1\%)	&			\\
					&							&	CASPT2		&	5.58		&	5.47		&	5.42		&	5.43		&			\\
					&							&	PC-NEVPT2	&	5.66		&	5.56		&	5.52		&	5.52		&			\\
					&							&	SC-NEVPT2	&	5.68		&	5.58		&	5.55		&	5.55		&			\\
	\\
	Hexatriene		&	$1\,^1A_g \ra 2\,^1A_g$					
												&	CC3($\%T_1$)&	5.78(65\%)	&	5.77(67\%)	&				&				&	5.58$^g$	\\
					&	$\pi,\pi\ra \pis,\pis$
												&	CCSDT		&	5.64		&	 			&				&				&			\\
					&							&	CASPT2		&	5.62		&	5.61 		&	5.58		&	5.58		&			\\
					&							&	PC-NEVPT2	&	5.67		&	5.66 		&	5.64		&	5.64		&			\\
					&							&	SC-NEVPT2	&	5.70		&	5.69		&	5.67		&	5.67		&			\\
	\\
	Nitrosomethane	&	$1\,^1A^\prime \ra 2\,^1A^\prime$		
												&	FCI		&	4.86(1)		&	4.84(2)		&	4.76(4)		&				&	4.72$^l$	\\
					&	$n,n \ra \pis,\pis$
												&	CCSDT		&	5.26		&	5.26 		&	5.29		&				&			\\
					&							&	CC3($\%T_1$)&	5.73(2\%)	&	5.75(4\%) 	&	5.76(3\%)	&	5.74(2\%)	&			\\
					&							&	CASPT2		&	4.93		&	4.88 		&	4.79		&	4.78		&			\\
					&							&	PC-NEVPT2	&	4.92		&	4.88 		&	4.79		&	4.78		&			\\
					&							&	SC-NEVPT2	&	4.94		&	4.90 		&	4.81		&	4.80		&			\\
	\\
	Nitroxyl		&	$1\,^1A^\prime \ra 2\,^1A^\prime$		
												&	FCI		&	4.51(0)		&	4.40(1)		&	4.33(0)		&	4.32(0)		&			\\
					&	$n,n \ra \pis,\pis$
												&	CCSDTQP		&	4.51		&				&				&				&			\\
					&							&	CCSDTQ		&	4.54		&	4.42		&				&				&			\\
					&							&	CCSDT		&	4.81		&	4.76		&	4.79		&	4.80		&			\\
					&							&	CC3($\%T_1$)&	5.28(0\%)	&	5.25(0\%)	&	5.26(0\%)	&	5.23(0\%)	&			\\
					&							&	CASPT2		&	4.55		&	4.46		&	4.36		&	4.34  		&			\\
					&							&	PC-NEVPT2	&	4.56		&	4.46		&	4.37		&	4.35  		&			\\
					&							&	SC-NEVPT2	&	4.58		&	4.48 		&	4.40		&	4.38		&			\\
	\\
	Pyrazine		&	$1\,^1A_g \ra 2\,^1A_g$	
												&	CC3($\%T_1$)&	9.27(7\%)	&	9.17(28\%)	&	9.17(12\%)	&				&			\\
					&	$n,n \ra \pis,\pis$		
					 							&	CASPT2		&	8.06		&	7.91		&	7.81		&	7.80		&			\\
					&							&	PC-NEVPT2	&	8.25		&	8.12		&	8.04		&	8.04		&			\\
					&							&	SC-NEVPT2	&	8.27		&	8.15		&	8.07		&	8.07		&			\\
	\\
					&	$1\,^1A_g \ra 3\,^1A_g$		
												&	CC3($\%T_1$)&	8.88(73\%)	&	8.77(72\%)	&	8.69(71\%)	&				&			\\
					&	$\pi,\pi \ra \pis,\pis$
												&	CASPT2		&	8.91		&	8.85 		&	8.77		&	8.77		&			\\
					&							&	PC-NEVPT2	&	9.12		&	9.07 		&	9.00		&	9.00		&			\\
					&							&	SC-NEVPT2	&	9.16		&	9.12 		&	9.05		&	9.05		&			\\
	\\
	Tetrazine		&	$1\,^1A_g \ra 2\,^1A_g$		
												&	CCSDT		&	5.86		&	5.86 		&				&				&	4.66$^m$	\\
					&	$n,n \ra \pis,\pis$						
												&	CC3($\%T_1$)&	6.22(1\%)	&	6.22(1\%) 	&	6.21(1\%)	&	6.19(1\%)	&			\\
					&							&	CASPT2		&	4.86		&	4.79 		&	4.69		&	4.68		&			\\
					&							&	PC-NEVPT2	&	4.75		&	4.70 		&	4.61		&	4.60		&			\\
					&							&	SC-NEVPT2	&	4.82		&	4.78 		&	4.69		&	4.68		&			\\
	\\
					&	$1\,^1A_g \ra 1\,^1B_{3g}$		
												&	CC3($\%T_1$)&	7.64(0\%)	&	7.62(2\%)	&	7.62(1\%)	&	7.60(1\%)	&	5.76$^n$,6.01$^m$	\\
					&	$n,n \ra \pis_1,\pis_2$						
					 							&	CASPT2		&	6.00		&	5.95 		&	5.85		&	5.85		&			\\
					&							&	PC-NEVPT2	&	6.25		&	6.22 		&	6.15		&	6.14		&			\\
					&							&	SC-NEVPT2	&	6.30		&	6.27		&	6.20		&	6.20		&			\\
	\\
					&	$1\,^1A_g \ra 1\,^3B_{3g}$		
												&	CC3($\%T_1$)&	7.35(5\%)	&	7.33(5\%)	&	7.35(6\%)	&	7.34(6\%)	&	5.50$^o$	\\
					&	$n,n \ra \pis_1,\pis_2$
					 							&	CASPT2		&	5.54		&	5.47 		&	5.39		&	5.39		&			\\
					&							&	PC-NEVPT2	&	5.63		&	5.58 		&	5.51		&	5.51		&			\\
					&							&	SC-NEVPT2	&	5.69		&	5.64 		&	5.57		&	5.57		&			\\
\end{tabular}