\newcommand{\TDDFT}{TD-DFT}
\newcommand{\CASSCF}{CASSCF}
\newcommand{\CASPT}{CASPT2}
\newcommand{\ADC}[1]{ADC(#1)}
\newcommand{\AD}{ADC(2)}
\newcommand{\CCD}{CC2}
\newcommand{\CCT}{CC3}
\newcommand{\STEOM}{STEOM-CCSD}
\newcommand{\AT}{ADC(3)}
\newcommand{\CC}[1]{CC#1}
\newcommand{\CCSD}{CCSD}
\newcommand{\EOMCCSD}{EOM-CCSD}
\newcommand{\CCSDT}{CCSDT}
\newcommand{\CCSDTQ}{CCSDTQ}
\newcommand{\CI}{CI}
\newcommand{\sCI}{sCI}
\newcommand{\exCI}{FCI}
\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{\DAVQZ}{d-\emph{aug}-cc-pVQZ}
\newcommand{\TAVQZ}{t-\emph{aug}-cc-pVQZ}
\newcommand{\AVFZ}{\emph{aug}-cc-pV5Z}
\newcommand{\DAVFZ}{d-\emph{aug}-cc-pV5Z}

\newcommand{\pis}{\pi^\star}
\newcommand{\Ryd}{\mathrm{R}}
\newcommand{\Val}{\mathrm{V}}
\newcommand{\ra}{\rightarrow}

\begin{dfbOptions}
	\format{Column}
	\initialState[Acrolein]{^1A^\prime}
        \initialState[Benzene]{^1A_{1g}}
        \initialState[Butadiene]{^1A_g}
        \initialState[Cyanoacetylene]{^1\Sigma^+}}
        \initialState[Cyanoformaldehyde]{^1A^\prime}
        \initialState[Cyanogen]{^1\Sigma_g^+}
        \initialState[Diacetylene]{^1A^\prime}
        \initialState[Glyoxal]{^1A_g}
        \initialState[Imidazole]{^1A^\prime}
        \initialState[Propynal]{^1A^\prime}
        \initialState[Pyrazine]{^1A_g}
        \initialState[Tetrazine]{^1A_g}
        \initialState[Thiopropynal]{^1A^\prime}
        \initialState[Triazine]{^1A_1^\prime}
\end{dfbOptions}

\begin{tabular}
  & & \multicolumn{9}{c}{aug-cc-pVTZ}\\
   Compound & State	& TBE(FC) & CIS(D)  & CC2  & CCSD & STEOM-CCSD & CCSDR(3) &CCSDT-3& CC3& ADC(2) \\
  Acetone			&$^1A_2 (\Val; n \ra \pis)$						& 4.47		&4.51	&4.55	&4.54&	4.40	&4.48	&4.49	&4.48	&4.37	\\
          &$^1B_2 (\mathrm{R}; n \ra 3s)$				& 6.46		&5.91	&5.91	&6.59&	6.62	&6.46	&6.50	&6.43	&5.87	\\
          &$^1A_2 (\mathrm{R}; n \ra 3p)$				& 7.47		&6.83	&6.84	&7.57&		&7.47	&7.51	&7.45	&6.81	\\
          &$^1A_1 (\mathrm{R}; n \ra 3p)$				& 7.51		&7.04	&6.89	&7.63&	7.68	&7.52	&7.55	&7.48	&6.85	\\
          &$^1B_2 (\mathrm{R}; n \ra 3p)$				& 7.62		&6.93	&7.02	&7.72&		&7.61	&7.65	&7.59	&6.99	\\
          &$^3A_2 (\Val; n \ra \pis)$						& 4.13		&4.15	&4.16	&4.15&	4.05	&		&		&4.15	&4.00	\\
          &$^3A_1 (\Val; \pi \ra \pis)$					& 6.25		&6.50	&6.50	&6.19&	6.05	&		&		&6.28	&6.37	\\
  Acrolein			&$^1A^{\prime\prime} (\Val; n \ra \pis)$						& 3.78		&3.89	&3.85	&3.91&	3.85	&3.80	&3.78	&3.74	&3.68	\\
          &$^1A^\prime (\Val; \pi \ra \pis)$						& 6.69		&6.88	&6.80	&6.87&		&6.69	&6.71	&6.65	&6.74	\\
          &$^1A^{\prime\prime} (\Val; n \ra \pis)$						& \emph{6.72} 	&7.76	&6.68	&7.27&	6.98	&6.94	&6.89	&6.75	&6.59	\\
          &$^1A^\prime (\mathrm{R}; n \ra 3s)$					& 7.08		&6.92	&6.40	&7.24&	7.25	&7.12	&7.15	&7.07	&6.35	\\
          &$^3A^{\prime\prime} (\Val; n \ra \pis)$						& 3.51		&3.56	&3.49	&3.55&	3.48	&		&		&3.46	&3.33	\\
          &$^3A^\prime (\Val; \pi \ra \pis)$						& 3.94		&4.14	&4.06	&3.88&	3.72	&		&		&3.94	&4.05	\\
          &$^3A^\prime (\Val; \pi \ra \pis)$						& 6.18		&6.42	&6.37	&6.14&	6.00	&		&		&6.19	&6.31	\\
          &$^3A^{\prime\prime} (\Val; n \ra \pis)$						&  \emph{6.54} 	&		&6.55	&7.09&		&		&		&6.61	&6.47	\\
  Benzene			&$^1B_{2u} (\Val; \pi \ra \pis)$					& 5.06		&5.32	&5.26	&5.20&	5.01	&5.14	&5.11	&5.09	&5.27	\\
          &$^1B_{1u} (\Val; \pi \ra \pis)$					& 6.45		&6.61	&6.48	&6.50&	6.51	&6.47	&6.45	&6.44	&6.45	\\
          &$^1E_{1g} (\mathrm{R}; \pi \ra 3s)$				& 6.52		&6.57	&6.47	&6.58&	6.65	&6.54	&6.54	&6.52	&6.52	\\
          &$^1A_{2u}  (\mathrm{R}; \pi \ra 3p)$			& 7.08		&7.08	&7.00	&7.12&	7.17	&7.10	&7.09	&7.08	&7.06	\\
          &$^1E_{2u}  (\mathrm{R}; \pi \ra 3p)$			& 7.15		&7.14	&7.06	&7.20&		&7.17	&7.16	&7.15	&7.12	\\
          &$^3B_{1u} (\Val; \pi \ra \pis)$					& 4.16		&4.47	&4.37	&4.00&		&		&		&4.18	&4.37	\\
          &$^3E_{1u}(\Val; \pi \ra \pis)$					& 4.85		&5.12	&5.08	&4.93&	4.88	&		&		&4.86	&5.07	\\
          &$^3B_{2u} (\Val; \pi \ra \pis)$					& 5.81		&5.95	&5.89	&5.77&	5.78	&		&		&5.81	&5.87	\\
  Butadiene			&$^1B_u  (\Val; \pi \ra \pis)$					& 6.22		&6.24	&6.16	&6.35&	6.33	&6.21	&6.24	&6.22	&6.12	\\
          &$^1B_g (\mathrm{R}; \pi \ra 3s)$				& 6.33		&6.34	&6.26	&6.40&	6.38	&6.33	&6.34	&6.33	&6.31	\\
          &$^1A_g  (\Val; \pi \ra \pis)$					& 6.50		&7.35	&7.09	&7.12&		&6.86	&6.76	&6.67	&7.14	\\
          &$^1A_u (\mathrm{R}; \pi \ra 3p)$				& 6.64		&6.65	&6.57	&6.71&	6.69	&6.65	&6.66	&6.64	&6.63	\\
          &$^1A_u (\mathrm{R}; \pi \ra 3p)$				& 6.80		&6.78	&6.70	&6.87&	6.92	&6.80	&6.81	&6.80	&6.76	\\
          &$^1B_u (\mathrm{R}; \pi \ra 3p)$				& 7.68		&7.71	&7.63	&7.76&	7.76	&7.68	&		&7.68	&7.48	\\
          &$^3B_u (\Val; \pi \ra \pis)$					& 3.36		&3.55	&3.45	&3.29&	3.17	&		&		&3.36	&3.46	\\
          &$^3A_g (\Val; \pi \ra \pis)$					& 5.20		&5.33	&5.30	&5.17&	5.03	&		&		&5.20	&5.27	\\
          &$^3B_g (\mathrm{R}; \pi \ra 3s)$				& 6.29		&6.31	&6.21	&6.33&	6.42	&		&		&6.28	&6.27	\\
  Cyanoacetylene	&$^1\Sigma^- 	(\Val; \pi \ra \pis)$ 				& 5.80		&6.14	&6.03	&5.88&	5.87	&5.84	&5.81	&5.80	&5.99	\\
          &$^1\Delta 	(\Val; \pi \ra \pis)$ 				& 6.07		&6.41	&6.30	&6.15&	6.20	&6.11	&6.09	&6.08	&6.25	\\
          &$^3\Sigma^+	 (\Val; \pi \ra \pis)$ 				& 4.44		&4.89	&4.80	&4.38&	4.35	&		&		&4.45	&4.77	\\
          &$^3\Delta 	(\Val; \pi \ra \pis)$ 				& 5.21		&5.60	&5.50	&5.24&	5.22	&		&		&5.22	&5.46	\\
          &$^1A^{\prime\prime} [\mathrm{F}]	(\Val; \pi \ra \pis)$ 			& 3.54		&3.83	&3.79	&3.58&	3.52	&3.58	&3.54	&3.54	&3.63	\\
  Cyanoformaldehyde	&$^1A^{\prime\prime} (\Val; n \ra \pis)$						& 3.81		&3.98	&3.97	&3.94&	3.80	&3.87	&3.86	&3.83	&3.83	\\
          &$^1A^{\prime\prime} (\Val; \pi \ra \pis)$						& 6.46		&7.10	&6.74	&6.67&	6.56	&6.50	&6.47	&6.42	&6.73	\\
          &$^3A^{\prime\prime} (\Val; n \ra \pis)$						& 3.44		&3.54	&3.51	&3.49&	3.42	&		&		&3.46	&3.37	\\
          &$^3A^\prime (\Val; \pi \ra \pis)$						& 5.01		&5.43	&5.34	&4.97&	4.89	&		&		&5.01	&5.27	\\
  Cyanogen			& $^1\Sigma_u^- (\Val; \pi \ra \pis)$ 				& 6.39		&6.85	&6.72	&6.50&	6.46	&6.44	&6.40	&6.39	&6.67	\\
          & $^1\Delta_u (\Val; \pi \ra \pis)$ 				& 6.66 		&7.15	&7.02	&6.78&	6.80	&6.72	&6.68	&6.66	&6.95	\\
          & $^3\Sigma_u^+ (\Val; \pi \ra \pis)$ 				& 4.91		&5.44	&5.35	&4.84&	4.81	&		&		&4.90	&5.31	\\
          & $^1\Sigma_u^-  [\mathrm{F}]  (\Val; \pi \ra \pis)$	& 5.05 		&5.61	&5.48	&5.13&	5.07	&5.14	&5.06	&5.06	&5.39	\\
  Cyclopentadiene	&$^1B_2 (\Val; \pi \ra \pis)$	 				& 5.56		&5.62	&5.52	&5.67&	5.59	&5.53	&5.56	&5.54	&5.49	\\
          &$^1A_2 (\mathrm{R}; \pi \ra 3s)$			 	& 5.78		&5.75	&5.66	&5.83&	5.80	&5.78	&5.78	&5.77	&5.71	\\
          &$^1B_1  (\mathrm{R}; \pi \ra 3p)$			 	& 6.41		&6.33	&6.26	&6.45&	6.44	&6.41	&6.41	&6.40	&6.31	\\
          &$^1A_2  (\mathrm{R}; \pi \ra 3p)$			 	& 6.46		&6.37	&6.30	&6.50&	6.60	&6.46	&6.46	&6.45	&6.35	\\
          &$^1B_2  (\mathrm{R}; \pi \ra 3p)$			 	& 6.56		&6.50	&6.42	&6.61&	6.65	&6.57	&6.56	&6.56	&6.48	\\
          &$^1A_1 (\Val; \pi \ra \pis)$		 			& \emph{6.52}	&7.63	&6.86	&6.96&		&6.71	&6.66	&6.57	&6.91	\\
          &$^3B_2 (\Val; \pi \ra \pis)$		 			& 3.31		&3.52	&3.42	&3.24&	3.11	&		&		&3.32	&3.42	\\
          &$^3A_1 (\Val; \pi \ra \pis)$		 			& 5.11		&5.30	&5.36	&5.09&	4.79	&		&		&5.12	&5.23	\\
          &$^3A_2 (\mathrm{R}; \pi \ra 3s)$			 	& 5.73		&5.73	&5.62	&5.78&	5.86	&		&		&5.73	&5.67	\\
          &$^3B_1 (\mathrm{R}; \pi \ra 3p)$			 	& 6.36		&6.31	&6.22	&6.40&	6.47	&		&		&6.36	&6.27	\\ 	
  Cyclopropenone	&$^1B_1 (\Val; n \ra \pis)$						& 4.26 		&4.27	&4.01	&4.53&	4.18	&4.28	&4.31	&4.21	&3.88	\\ 	
          &$^1A_2 (\Val; n \ra \pis)$						& 5.55		&5.65	&5.65	&5.40&		&5.59	&5.59	&5.57	&5.47	\\ 	
          &$^1B_2 (\mathrm{R}; n \ra 3s)$				& 6.34		&6.32	&5.84	&6.44&	6.36	&6.35	&6.38	&6.32	&5.79	\\ 	
          &$^1B_2 (\Val; \pi \ra \pis)$					& 6.54		&6.60	&6.46	&6.82&		&6.59	&6.61	&6.54	&6.33	\\ 	
          &$^1B_2 (\mathrm{R}; n \ra 3p)$				& 6.98		&6.48	&6.56	&7.09&	7.07	&6.98	&		&6.96	&6.43	\\ 	
          &$^1A_1 (\mathrm{R}; n \ra 3p)$				& 7.02		&6.54	&6.47	&7.12&		&7.02	&7.06	&7.00	&6.41	\\ 	
          &$^1A_1 (\Val; \pi \ra \pis)$					& 8.28		&8.22	&8.28	&8.35&	8.19	&8.29	&		&8.28	&8.10	\\ 	
          &$^3B_1 (\Val; n \ra \pis)$						& 3.93		&4.15	&3.73	&4.18&	4.13	&		&		&3.91	&3.62	\\ 	
          &$^3B_2 (\Val; \pi \ra \pis)$					& 4.88		&5.26	&4.99	&4.91&	4.88	&		&		&4.89	&4.90	\\ 	
          &$^3A_2 (\Val; n \ra \pis)$						& 5.35		&5.96	&5.45	&5.40&	5.01	&		&		&5.37	&5.28	\\ 	
          &$^3A_1 (\Val; \pi \ra \pis)$					& 6.79		&6.97	&7.02	&6.76&	6.39	&		&		&6.83	&6.84	\\ 	
  Cyclopropenethione	&$^1A_2 (\Val; n \ra \pis)$						& 3.41		&3.45	&3.53	&3.51&	3.34	&3.43	&3.46	&3.43	&3.38	\\ 	
          &$^1B_1 (\Val; n \ra \pis)$						& 3.45		&3.56	&3.50	&3.84&		&3.51	&3.56	&3.43	&3.37	\\ 	
          &$^1B_2 (\Val; \pi \ra \pis)$					& 4.60		&5.06	&4.91	&4.98&		&4.69	&4.73	&4.64	&4.72	\\ 	
          &$^1B_2 (\mathrm{R}; n \ra 3s)$				& 5.34		&5.24	&5.22	&5.41&	5.45	&5.34	&5.38	&5.34	&5.17	\\ 	
          &$^1A_1 (\Val; \pi \ra \pis)$					& 5.46		&5.47	&5.59	&5.55&		&5.48	&5.52	&5.49	&5.36	\\ 	
          &$^1B_2 (\mathrm{R}; n \ra 3p)$				& 5.92		&5.93	&5.82	&6.03&	6.05	&5.93	&5.97	&5.93	&5.77	\\ 	
          &$^3A_2 (\Val; n \ra \pis)$						& 3.28		&3.34	&3.37	&3.34&	3.23	&		&		&3.30	&3.23	\\ 	
          &$^3B_1 (\Val; n \ra \pis)$						& 3.32		&3.55	&3.38	&3.69&	3.55	&		&		&3.31	&3.26	\\ 	
          &$^3B_2 (\Val; \pi \ra \pis)$					& 4.01		&4.62	&4.24	&4.16&	4.05	&		&		&4.02	&4.12	\\ 	
          &$^3A_1 (\Val; \pi \ra \pis)$					& 4.01		&4.12	&4.16	&3.97&	3.87	&		&		&4.03	&4.04	\\ 	
  Diacetylene		&$^1\Sigma_u^- (\Val; \pi \ra \pis)$				& 5.33		&5.62	&5.51	&5.41&	5.37	&5.37	&5.35	&5.34	&5.49	 \\	
          &$^1\Delta_u 	(\Val; \pi \ra \pis)$				& 5.61		&5.86	&5.76	&5.67&	5.64	&5.64	&5.62	&5.61	&5.72	 \\	
          &$^3\Sigma_u^+ (\Val; \pi \ra \pis)$				& 4.10		&4.48	&4.39	&4.01&	4.05	&		&		&4.08	&4.37	 \\	
          &$^3\Delta_u 	(\Val; \pi \ra \pis)$				& 4.78		&5.14	&5.03	&4.82&	4.87	&		&		&4.80	&5.01	 \\	
  Furan			&$^1A_2 (\mathrm{R}; \pi \ra 3s)$				& 6.09 		&6.16	&6.06	&6.17&	6.15	&6.10	&6.09	&6.08	&6.12	\\
          &$^1B_2 (\Val; \pi \ra \pis)$					& 6.37 		&6.59	&6.45	&6.51&	6.45	&6.38	&6.37	&6.34	&6.47	\\
          &$^1A_1 (\Val; \pi \ra \pis)$					& 6.56 		&7.01	&6.77	&6.85&		&6.68	&6.65	&6.58	&6.76	\\
          &$^1B_1  (\mathrm{R}; \pi \ra 3p)$				& 6.64		&6.67	&6.59	&6.71&	6.70	&6.65	&6.64	&6.63	&6.64	\\
          &$^1A_2  (\mathrm{R}; \pi \ra 3p)$				& 6.81 		&6.84	&6.75	&6.89&	6.93	&6.82	&6.81	&6.80	&6.82	\\
          &$^1B_2  (\mathrm{R}; \pi \ra 3p)$				& 7.24    		&7.34	&7.25	&7.32&	7.35	&7.25	&		&7.23	&7.29	 \\	
          &$^3B_2 (\Val; \pi \ra \pis)$					& 4.20    		&4.51	&4.43	&4.15&	4.17	&		&		&4.22	&4.41	 \\	
          &$^3A_1 (\Val; \pi \ra \pis)$					& 5.46    		&5.69	&5.66	&5.47&	5.61	&		&		&5.48	&5.59	 \\	
          &$^3A_2 (\mathrm{R}; \pi \ra 3s)$				& 6.02    		&6.13	&6.01	&6.11&	6.20	&		&		&6.02	&6.08	 \\	
          &$^3B_1 (\mathrm{R}; \pi \ra 3p)$				& 6.59    		&6.64	&6.55	&6.66&	6.73	&		&		&6.59	&6.61	 \\	
  Glyoxal			&$^1A_u (\Val; n \ra \pis)$						& 2.88		&3.01	&2.91	&3.01&	2.86	&2.92	&2.91	&2.88	&2.83	 \\	
          &$^1B_g (\Val; n \ra \pis)$						& 4.24		&4.46	&4.44	&4.42&	4.32	&4.32	&4.30	&4.27	&4.27	 \\	
          &$^1A_g (\Val; n,n  \ra \pis,\pis)$				& 5.61		&		&		&	 &		&		&7.26	&6.76	&		 \\
          &$^1B_g (\Val; n \ra \pis)$						& 6.57 		&7.01	&6.51	&7.12&		&6.75	&6.73	&6.58	&6.50	 \\	
          &$^1B_u (\mathrm{R}; n \ra 3p)$				& 7.71		&7.25	&7.16	&7.84&	7.94	&7.71	&7.74	&7.67	&7.18	 \\	
          &$^3A_u (\Val; n \ra \pis)$						& 2.49		&2.59	&2.47	&2.56&	2.44	&		&		&2.49	&2.39	 \\	
          &$^3B_g (\Val; n \ra \pis)$						& 3.89		&4.00	&3.96	&3.96&	3.88	&		&		&3.90	&3.82	 \\	
          &$^3B_u (\Val; \pi \ra \pis)$					& 5.15		&5.47	&5.42	&5.10&	4.92	&		&		&5.17	&5.33	 \\	
          &$^3A_g (\Val; \pi \ra \pis)$					& 6.30		&6.54	&6.56	&6.23&	6.13	&		&		&6.30	&6.45	 \\	
  Imidazole			&$^1A^{\prime\prime} (\mathrm{R}; \pi \ra 3s)$				& 5.71 		&5.81	&5.69	&5.80&	5.91	&5.73	&5.72	&5.71	&5.75	 \\	
          &$^1A^\prime (\Val; \pi \ra \pis)$						& 6.41		&6.73	&6.51	&6.59&	6.76	&6.47	&6.46	&6.41	&6.50	 \\	
          &$^1A^{\prime\prime} (\Val; n \ra \pis)$						& 6.50		&6.52	&6.47	&6.58&	6.66	&6.53	&6.51	&6.50	&6.51	 \\	
          &$^1A^\prime (\mathrm{R}; \pi \ra 3p)$				& \emph{6.83}	&7.40	&6.41	&7.02&	6.92	&6.93	&6.91	&6.87	&	 	\\
          &$^3A^\prime (\Val; \pi \ra \pis)$						& 4.73		&5.04	&4.94	&4.68&	4.66	&		&		&4.75	&4.92	 \\	
          &$^3A^{\prime\prime} (\mathrm{R}; \pi \ra 3s)$				& 5.66		&5.80	&5.66	&5.77&	5.87	&		&		&5.67	&5.72	 \\	
          &$^3A^\prime (\Val; \pi \ra \pis)$						& 5.74		&6.06	&5.94	&5.77&	5.60	&		&		&5.74	&5.93	 \\	
          &$^3A^{\prime\prime} (\Val; n \ra \pis)$						& 6.31		&6.47	&6.36	&6.40&	6.28	&		&		&6.33	&6.31	 \\	
  Isobutene			&$^1B_1 (\mathrm{R}; \pi \ra 3s)$				& 6.46		&6.46	&6.37	&6.54&	6.59	&6.46	&6.47	&6.45	&6.43	 \\	
          &$^1A_1 (\mathrm{R}; \pi \ra 3p)$				& 7.01   		&7.01	&6.95	&7.09&	7.11	&7.00	&7.01	&7.00	&6.97	 \\	
          &$^3A_1 (\Val; (\pi \ra \pis)$					& 4.53   		&4.68	&4.62	&4.48&	4.22	&		&		&4.53	&4.62	 \\	
  Methylenecyclopropene&	$^1B_2 (\Val; \pi \ra \pis)$					& 4.28		&4.72	&4.51	&4.58&	4.76	&4.35	&4.38	&4.31	&4.46	 \\	
          &$^1B_1 (\mathrm{R}; \pi \ra 3s)$				& 5.44		&5.43	&5.35	&5.48&	5.45	&5.44	&5.45	&5.44	&5.38	 \\	
          &$^1A_2 (\mathrm{R}; \pi \ra 3p)$				& 5.96		&5.94	&5.85	&6.00&	6.01	&5.96	&5.97	&5.95	&5.87	 \\	
          &$^1A_1(\Val; \pi \ra \pis)$					& \emph{6.12}	&6.14	&6.09	&6.18&	6.21	&6.12	&6.14	&6.13	&6.09	 \\
          &$^3B_2 (\Val; \pi \ra \pis)$					& 3.49		&3.94	&3.64	&3.57&	3.67	&		&		&3.50	&3.61	\\
          &$^3A_1 (\Val; \pi \ra \pis)$					& 4.74		&4.86	&4.81	&4.69&	4.78	&		&		&4.74	&4.80	\\ 	
  Propynal			& $^1A^{\prime\prime} (\Val; n \ra \pis)$						& 3.80 		&3.95	&3.96	&3.84&	3.82	&3.86	&3.85	&3.82	&3.78	\\ 	
          &$^1A^{\prime\prime} (\Val; \pi \ra \pis)$						& 5.54		&5.95	&5.71	&5.69&	5.72	&5.57	&5.55	&5.51	&5.73	\\ 	
          &$^3A^{\prime\prime} (\Val; n \ra \pis)$						& 3.47		&3.55	&3.53	&3.53&	3.40	&		&		&3.49	&3.38	\\ 	
          &$^3A^\prime (\Val; \pi \ra \pis)$						& 4.47		&4.81	&4.71	&4.40&	4.38	&		&		&4.43	&4.67	\\ 	
  Pyrazine			&$^1B_{3u}  (\Val; n \ra \pis)$					& 4.15		&4.37	&4.14	&4.32&	4.10	&4.21	&4.20	&4.14	&4.17	\\ 	
          &$^1A_u    (\Val; n \ra \pis)$					& 4.98		&4.91	&4.86	&5.23&	5.04	&5.04	&5.06	&4.97	&4.88	\\ 	
          &$^1B_{2u}  (\Val; \pi \ra \pis)$					& 5.02		&5.26	&5.14	&5.15&	4.83	&5.09	&5.06	&5.03	&5.17	\\ 	
          &$^1B_{2g}  (\Val; n \ra \pis)$					& 5.71		&6.22	&5.86	&6.00&	5.71	&5.84	&5.80	&5.71	&5.87	\\ 	
          &$^1A_g    (\mathrm{R}; n \ra 3s)$				& 6.65		&6.20	&6.20	&6.83&	6.86	&6.71	&6.74	&6.66	&6.30	\\ 	
          &$^1B_{1g}  (\Val; n \ra \pis)$					& 6.74		&7.31	&6.67	&7.14&	7.33	&6.85	&6.87	&6.73	&6.67	\\ 	
          &$^1B_{1u}  (\Val; \pi \ra \pis)$					& 6.88		&7.13	&6.89	&6.96&		&6.90	&6.88	&6.86	&6.88	\\ 	
          &$^1B_{1g}  (\mathrm{R}; \pi \ra 3s)$			& 7.21		&7.31	&7.21	&7.26&		&7.22	&7.21	&7.20	&7.27	\\ 	
          &$^1B_{2u}  (\mathrm{R}; n \ra 3p)$				& 7.24		&7.30	&6.74	&7.44&	7.49	&7.31	&7.35	&7.25	&	 	\\
          &$^1B_{1u}  (\mathrm{R}; n \ra 3p)$				& 7.44		&7.19	&7.03	&7.60&		&7.50	&7.52	&7.45	&	 	\\
          &$^1B_{1u}  (\Val; \pi \ra \pis)$					& \emph{7.98}	&7.85	&7.87	&8.20&		&7.98	&8.02	&7.94	&	 	\\
          &$^3B_{3u}  (\Val; n \ra \pis)$					& 3.59 		&3.84	&3.60	&3.70&	3.48	&		&		&3.59	&3.62	\\ 	
          &$^3B_{1u}  (\Val; \pi \ra \pis)$					& 4.35		&4.76	&4.60	&4.19&	3.93	&		&		&4.39	&4.57	\\ 	
          &$^3B_{2u}  (\Val; (\pi \ra \pis)$					& 4.39		&4.67	&4.57	&4.40&	4.32	&		&		&4.40	&4.59	 \\	
          &$^3A_u    (\Val; n \ra \pis)$					& 4.93		&4.93	&4.82	&5.16&	4.97	&		&		&4.93	&4.84	 \\	
          &$^3B_{2g}  (\Val; n \ra \pis)$					& 5.08		&5.41	&5.17	&5.21&	4.89	&		&		&5.08	&	 	\\
          &$^3B_{1u}  (\Val; \pi \ra \pis)$					& 5.28		&5.59	&5.59	&5.35&	5.21	&		&		&5.29	&	 	\\
  Pyridazine			&$^1B_1 (\Val; n \ra \pis)$						& 3.83		&4.12	&3.78	&4.03&	3.76	&3.91	&3.89	&3.83	&3.79	 \\	
          &$^1A_2 (\Val; n \ra \pis)$						& 4.37   		&4.84	&4.26	&4.65&	4.44	&4.46	&4.47	&4.37	&4.27	 \\	
          &$^1A_1 (\Val; \pi \ra \pis)$					& 5.26 		&5.51	&5.43	&5.43&		&5.36	&5.32	&5.29	&5.44	 \\	
          &$^1A_2 (\Val; n \ra \pis)$						& 5.72		&5.62	&5.79	&6.01&	5.76	&5.84	&5.82	&5.74	&5.81	 \\	
          &$^1B_2  (\mathrm{R}; n \ra 3s)$				& 6.17		&5.83	&5.59	&6.42&	6.45	&6.27	&6.31	&6.17	&5.69	 \\	
          &$^1B_1 (\Val; n \ra \pis)$						& 6.37		&6.39	&6.33	&6.67&	6.47	&6.46	&6.47	&6.37	&6.35	 \\	
          &$^1B_2 (\Val; \pi \ra \pis)$					& 6.75		&		&6.86	&6.88&		&6.81	&6.77	&6.74	&6.85	\\
          &$^3B_1 (\Val; n \ra \pis)$						& 3.19		&3.50	&3.18	&3.30&	3.06	&		&		&3.19	&3.19	 \\	
          &$^3A_2 (\Val; n \ra \pis)$						& 4.11		&4.64	&4.01	&4.31&	4.13	&		&		&4.11	&4.02	 \\	
          &$^3B_2 (\Val; \pi \ra \pis)$					& \emph{4.34}	&4.75	&4.61	&4.17&	3.89	&		&		&4.38	&4.60	 \\
          &$^3A_1 (\Val; \pi \ra \pis)$					& 4.82		&5.18	&5.07	&4.86&	4.78	&		&		&4.83	&5.06	 \\	
  Pyridine			&$^1B_1 (\Val; n \ra \pis)$						& 4.95 		&5.22	&4.99	&5.17&	4.94	&5.04	&5.03	&4.96	&4.98	 \\ 	
          &$^1B_2 (\Val; \pi \ra \pis)$					& 5.14		&5.40	&5.32	&5.29&	5.03	&5.23	&5.20	&5.17	&5.33	 \\ 	
          &$^1A_2 (\Val; n \ra \pis)$						& 5.40		&5.33	&5.28	&5.64&	5.45	&5.46	&5.48	&5.40	&5.27	 \\	
          &$^1A_1 (\Val; \pi \ra \pis)$					& 6.62		&6.84	&6.24	&6.96&	6.98	&6.67	&6.65	&6.63	&6.31	 \\	
          &$^1A_1 (\mathrm{R}; n \ra 3s)$				& 6.76		&6.38	&6.68	&6.71&		&6.83	&6.86	&6.76	&6.65	 \\	
          &$^1A_2 (\mathrm{R}; \pi \ra 3s)$				& 6.82		&6.88	&6.79	&6.87&	6.94	&6.83	&6.83	&6.81	&6.83	 \\	
          &$^1B_2 (\Val; \pi \ra \pis)$					& \emph{7.40}	&7.56	&7.37	&7.55&		&7.40	&		&7.38	&6.87	 \\
          &$^1B_1 (\mathrm{R}; \pi \ra 3p)$				& 7.38		&7.42	&7.34	&7.43&	7.49	&7.40	&7.40	&7.38	&7.38	 \\	
          &$^1A_1 (\Val; \pi \ra \pis)$					& 7.39		&7.56	&7.45	&7.59&		&7.44	&7.47	&7.39	&7.48	 \\
          &$^3A_1 (\Val; \pi \ra \pis)$					& 4.30		&4.66	&4.53	&4.15&	3.93	&		&		&4.33	&4.53	 \\	
          &$^3B_1 (\Val; n \ra \pis)$						& 4.46		&4.72	&4.48	&4.59&	4.41	&		&		&4.46	&4.47	 \\	
          &$^3B_2 (\Val; \pi \ra \pis)$					& 4.79		&5.08	&4.98	&4.83&	4.78	&		&		&4.79	&4.98	 \\	
          &$^3A_1 (\Val; \pi \ra \pis)$					& 5.04		&5.33	&5.29	&5.11&	5.03	&		&		&5.05	&5.28	 \\	
          &$^3A_2 (\Val; n \ra \pis)$						& 5.36		&5.36	&5.24	&5.58&	5.39	&		&		&5.35	&5.23	 \\	
          &$^3B_2 (\Val; \pi \ra \pis)$					& 6.24		&6.40	&6.39	&6.26&	6.25	&		&		&6.25	&6.35	 \\	
  Pyrimidine			&$^1B_1 (\Val; n \ra \pis)$						& 4.44		&4.57	&4.41	&4.66&	4.36	&4.51	&4.51	&4.44	&4.37	 \\	
          &$^1A_2 (\Val; n \ra \pis)$						& 4.85		&4.97	&4.77	&5.07&	4.81	&4.92	&4.94	&4.86	&4.73	 \\	
          &$^1B_2 (\Val; \pi \ra \pis)$					& 5.38		&5.58	&5.54	&5.53&	5.15	&5.47	&5.44	&5.41	&5.52	 \\	
          &$^1A_2 (\Val; n \ra \pis)$						& 5.92		&6.06	&5.96	&6.20&	5.91	&6.03	&6.02	&5.93	&5.93	 \\	
          &$^1B_1 (\Val; n \ra \pis)$						& 6.26		&7.22	&6.25	&6.54&	6.26	&6.34	&6.36	&6.26	&6.22	 \\	
          &$^1B_2  (\mathrm{R}; n \ra 3s)$				& 6.70		&6.23	&6.20	&6.88&	6.90	&6.77	&6.81	&6.72	&6.25	 \\	
          &$^1A_1 (\Val; \pi \ra \pis)$					& 6.88		&7.07	&6.84	&6.97&		&6.91	&6.89	&6.87	&6.83	 \\	
          &$^3B_1 (\Val; n \ra \pis)$						& 4.09		&4.31	&4.07	&4.25&	4.02	&		&		&4.10	&4.05	 \\	
          &$^3A_1 (\Val; \pi \ra \pis)$					& \emph{4.51} 	&4.91	&4.77	&4.39&	4.11	&		&		&4.55	&4.76	 \\
          &$^3A_2 (\Val; n \ra \pis)$						& 4.66		&5.01	&4.60	&4.83&	4.63	&		&		&4.66	&4.58	 \\	
          &$^3B_2 (\Val; \pi \ra \pis)$					& 4.96		&5.23	&5.17	&4.99&	4.88	&		&		&4.96	&5.14	 \\	
   Pyrrole			&$^1A_2 (\mathrm{R}; \pi \ra 3s)$				& 5.24		&5.34	&5.23	&5.34&	5.36	&5.28	&5.26	&5.24	&5.30	 \\	
          &$^1B_1 (\mathrm{R}; \pi \ra 3p)$				& 6.00 		&6.04	&5.91	&6.04&	6.08	&6.01	&6.00	&5.98	&5.94	 \\	
          &$^1A_2 (\mathrm{R}; \pi \ra 3p)$				& 6.00		&6.04	&5.96	&6.09&	6.15	&6.04	&6.03	&6.01	&6.03	 \\	
          &$^1B_2 (\Val; (\pi \ra \pis)$					& 6.26 		&6.62	&6.30	&6.35&	6.44	&6.28	&6.27	&6.25	&6.35	 \\	
          &$^1A_1 (\Val; \pi \ra \pis)$					& 6.30 		&6.64	&6.47	&6.51&		&6.39	&6.36	&6.32	&6.47	 \\	
          &$^1B_2 (\mathrm{R}; \pi \ra 3p)$				& 6.83		&7.00	&6.89	&6.93&		&6.85	&6.85	&6.83	&6.91	 \\	
          &$^3B_2 (\Val; \pi \ra \pis)$					& 4.51		&4.81	&4.72	&4.45&	4.15	&		&		&4.53	&4.71	 \\	
          &$^3A_2 (\mathrm{R}; \pi \ra 3s)$				& 5.21		&5.33	&5.20	&5.30&	5.41	&		&		&5.21	&5.27	 \\	
          &$^3A_1 (\Val; \pi \ra \pis)$					& 5.45		&5.70	&5.66	&5.49&	5.12	&		&		&5.46	&5.62	 \\	
          &$^3B_1 (\mathrm{R}; \pi \ra 3p)$				& 5.91		&6.01	&5.86	&5.97&	6.06	&		&		&5.92	&5.89	 \\	
  Tetrazine			&$^1B_{3u}  (\Val; n \ra \pis)$					& 2.47		&2.67	&2.38	&2.64&	2.36	&2.54	&2.52	&2.46	&2.42	 \\	
          &$^1A_u    (\Val; n \ra \pis)$					& 3.69		&3.93	&3.53	&3.96&	3.73	&3.77	&3.78	&3.67	&3.58	 \\	
          &$^1A_g    (\Val; n,n \ra \pis, \pis)$				& \emph{4.61} 	&		&		&	 &		&		&6.77	&6.21	&		 \\
          &$^1B_{1g}  (\Val; n \ra \pis)$					& 4.93		&5.58	&5.02	&5.26&	4.90	&5.09	&5.03	&4.91	&5.04	 \\	
          &$^1B_{2u}  (\Val; \pi \ra \pis)$					& 5.21		&5.40	&5.31	&5.37&	4.92	&5.31	&5.26	&5.23	&5.31	 \\	
          &$^1B_{2g}  (\Val; n \ra \pis)$					& 5.45		&6.09	&5.64	&5.84&	5.49	&5.64	&5.57	&5.46	&5.68	 \\	
          &$^1A_u    (\Val; n \ra \pis)$					& 5.53		&5.64	&5.56	&5.77&	5.50	&5.63	&		&5.52	&5.59	 \\	
          &$^1B_{3g} (\Val; n,n \ra \pis, \pis)$				& \emph{6.15} 	&		&		&	  &		&		&		&7.62	&		\\
          &$^1B_{2g}  (\Val; n \ra \pis)$					& 6.12		&6.08	&6.18	&6.66&		&6.34	&6.32	&6.13	&6.21	 \\	
          &$^1B_{1g}  (\Val; n \ra \pis)$					& 6.91		&6.39	&6.95	&7.32&		&7.04	&7.05	&6.92	&6.97	 \\	
          &$^3B_{3u}  (\Val; n \ra \pis)$					& 1.85		&2.13	&1.81	&1.96&	1.70	&		&		&1.85	&1.85	 \\	
          &$^3A_u    (\Val; n \ra \pis)$					& 3.45		&4.00	&3.31	&3.66&	3.47	&		&		&3.44	&3.35	 \\	
          &$^3B_{1g}  (\Val; n \ra \pis)$					& 4.20		&4.46	&4.27	&4.31&	3.96	&		&		&4.20	&4.27	 \\	
          &$^3B_{1u}  (\Val; \pi \ra \pis)$					& \emph{4.49}	&4.96	&4.81	&4.27&	3.90	&		&		&4.54	&4.80	 \\
          &$^3B_{2u}  (\Val; \pi \ra \pis)$					& 4.52		&4.87	&4.77	&4.53&	4.43	&		&		&4.52	&4.76	 \\	
          &$^3B_{2g}  (\Val; n \ra \pis)$					& 5.04		&5.47	&5.15	&5.23&	4.91	&		&		&5.05	&5.16	 \\	
          &$^3A_u    (\Val; n \ra \pis)$					& 5.11		&5.74	&5.13	&5.28&	5.04	&		&		&5.11	&5.16	 \\	
          &$^3B_{3g}  (\Val; n,n \ra \pis, \pis)$				& \emph{5.51} 	&		&		&	 &		&		&		&7.35	&		\\
          &$^3B_{1u}  (\Val; \pi \ra \pis)$					& 5.42		&5.74	&5.70	&5.52&	5.43	&		&		&5.42	&5.67	 \\	
  Thioacetone		&$^1A_2 (\Val; n \ra \pis)$						& 2.53 		&2.55	&2.63	&2.63&	2.47	&2.55	&2.57	&2.55	&2.47	 \\	
          &$^1B_2 (\mathrm{R}; n \ra 4s)$				& 5.56 		&5.59	&5.50	&5.67&	5.72	&5.57	&5.61	&5.55	&5.47	\\
          &$^1A_1 (\Val; \pi \ra \pis)$					& 5.88		&6.01	&6.09	&6.01&		&5.90	&5.93	&5.90	&5.87	 \\	
          &$^1B_2 (\mathrm{R}; n \ra 4p)$				& 6.51		&6.54	&6.44	&6.59&	6.62	&6.52	&6.54	&6.51	&6.43	 \\	
          &$^1A_1 (\mathrm{R}; n \ra 4p)$				& 6.61	 	&6.52	&6.53	&6.71&	6.76	&6.62	&6.66	&6.61	&6.48	 \\	
          &$^3A_2 (\Val; n \ra \pis)$						& 2.33 		&2.30	&2.33	&2.35&	2.25	&		&		&2.34	&2.20	 \\	
          &$^3A_1 (\Val; \pi \ra \pis)$					& 3.45		&3.60	&3.59	&3.66&	3.22	&		&		&3.46	&3.52	 \\	
  Thiophene		&$^1A_1 (\Val; \pi \ra \pis)$					& 5.64		&5.77	&5.75	&5.78&		&5.69	&5.69	&5.65	&5.72	 \\	
          &$^1B_2 (\Val; \pi \ra \pis)$					& 5.98		&6.24	&6.07	&6.12&		&6.00	&5.99	&5.96	&6.07	 \\	
          &$^1A_2 (\mathrm{R}; \pi \ra 3s)$				& 6.14		&6.18	&6.07	&6.22&	6.18	&6.17	&6.15	&6.14	&6.15	 \\	
          &$^1B_1 (\mathrm{R}; \pi \ra 3p)$				& 6.14		&6.44	&6.15	&6.31&	6.23	&6.20	&6.18	&6.14	&6.24	 \\	
          &$^1A_2 (\mathrm{R}; \pi \ra 3p)$				& 6.21		&6.42	&6.35	&6.32&	6.16	&6.28	&6.28	&6.25	&6.35	 \\	
          &$^1B_1 (\mathrm{R}; \pi \ra 3s)$				& 6.49		&6.49	&6.48	&6.56&	6.52	&6.52	&6.52	&6.50	&6.51	 \\	
          &$^1B_2 (\mathrm{R}; \pi \ra 3p)$				& 7.29 		&7.37	&7.26	&7.38&	7.35	&7.33	&7.31	&7.29	&7.34	 \\ 	
          &$^1A_1 (\Val; \pi \ra \pis)$					& \emph{7.31}	&7.68	&7.48	&7.57&		&7.46	&7.42	&7.35	&7.51	 \\
          &$^3B_2 (\Val; \pi \ra \pis)$					& 3.92		&4.22	&4.12	&3.85&	3.70	&		&		&3.94	&4.11	 \\	
          &$^3A_1 (\Val; \pi \ra \pis)$					& 4.76		&5.02	&4.91	&4.77&	4.71	&		&		&4.77	&4.86	 \\	
          &$^3B_1 (\mathrm{R}; \pi \ra 3p)$				& 5.93		&6.28	&6.00	&6.12&	6.16	&		&		&5.95	&6.09	 \\	
          &$^3A_2 (\mathrm{R}; \pi \ra 3s)$				& 6.08		&6.17	&6.03	&6.16&	6.24	&		&		&6.09	&6.11	 \\	
  Thiopropynal		&$^1A^{\prime\prime}  (\Val; n \ra \pis)$						& 2.03	 	&2.14	&2.20	&2.15&	2.06	&2.07	&2.08	&2.05	&2.08	 \\	
          &$^3A^{\prime\prime}   (\Val; n \ra \pis)$						& 1.80		&1.83	&1.84	&1.83&	1.79	&		&		&1.81	&1.74	 \\	
  Triazine			&$^1A_1^{\prime\prime} (\Val; n \ra \pis)$					& 4.72		&4.59	&4.64	&4.92&	4.62	&4.77	&4.80	&4.73	&4.58	 \\	
          &$^1A_2^{\prime\prime} (\Val; n \ra \pis)$					& 4.75		&4.86	&4.75	&4.99&	4.76	&4.82	&4.82	&4.74	&4.69	 \\	
          &$^1E^{\prime\prime} (\Val; n \ra \pis)$						& 4.78		&4.84	&4.72	&4.99&	4.74	&4.84	&4.86	&4.78	&4.66	 \\	
          &$^1A_2^\prime (\Val; \pi \ra \pis)$					& 5.75		&5.83	&5.89	&5.91&	5.45	&5.85	&5.82	&5.78	&5.83	 \\	
          &$^1A_1^\prime (\Val; \pi \ra \pis)$					& 7.24		&7.39	&7.32	&7.34&		&7.28	&7.27	&7.24	&7.18	 \\	
          &$^1E^\prime (\mathrm{R}; n \ra 3s)$					& 7.32		&7.83	&6.87	&7.45&		&7.37	&7.41	&7.35	&6.89	 \\	
          &$^1E^{\prime\prime} (\Val; n \ra \pis)$						& 7.78		&		&7.71	&8.13&		&7.96	&		&7.79	&	 	\\
          &$^1E^\prime (\Val; \pi \ra \pis)$						& 7.94		&7.84	&7.63	&8.14&		&7.95	&		&7.92	&7.65	 \\	
          &$^3A_2^{\prime\prime} (\Val; n \ra \pis)$					& 4.33		&4.52	&4.32	&4.51&	4.32	&		&		&4.33	&4.29	 \\	
          &$^3E^{\prime\prime} (\Val; n \ra \pis)$						& 4.51		&4.71	&4.46	&4.67&	4.47	&		&		&4.51	&4.42	\\
          &$^3A_1^{\prime\prime} (\Val; n \ra \pis)$					& 4.73		&4.65	&4.65	&4.91&	4.43	&		&		&4.75	&4.59	\\
          &$^3A_1^\prime (\Val; \pi \ra \pis)$					& 4.85		&5.27	&5.12	&4.74&	4.69	&		&		&4.88	&5.10	 \\
          &$^3E^\prime (\Val; \pi \ra \pis)$						& 5.59		&5.91	&5.88	&5.70&	5.61	&		&		&5.61	&5.82	\\
          &$^3A_2^\prime (\Val; (\pi \ra \pis)$					& 6.62		&6.71	&6.76	&6.59&	6.60	&		&		&6.63	&6.63	\\
   \end{tabular}