\newcommand{\mc}{\multicolumn}
\newcommand{\mr}{\multirow}

% methods
\newcommand{\TDDFT}{TD-DFT}
\newcommand{\CASSCF}{CASSCF}
\newcommand{\CASPT}{CASPT2}
\newcommand{\ADC}[1]{ADC(#1)}
\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}{exCI}
\newcommand{\FCI}{FCI}

% basis
\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{\AVPZ}{aug-cc-pV5Z}
\newcommand{\DAVPZ}{d-aug-cc-pV5Z}

\newcommand{\Ryd}{\mathrm{R}}
\newcommand{\Val}{\mathrm{V}}
\newcommand{\ra}{\rightarrow}
\newcommand{\pis}{\pi^\star}
\newcommand{\si}{\sigma}
\newcommand{\sis}{\sigma^\star}
\begin{dfbOptions}
  \format{column}
  \suffix{addon}
  \initialState[Acetaldehyde]{^1A^\prime}
  \initialState[Acetylene]{^1\Sigma_g}
  \initialState[Acrolein]{^1A^\prime}
  \initialState[Carbon monoxyde]{^1\Sigma^+}
  \initialState[Benzene]{^1A_{1g}}
  \initialState[Butadiene]{^1A_g}
  \initialState[Cyanoacetylene]{^1\Sigma^+}
  \initialState[Cyanoformaldehyde]{^1A^\prime}
  \initialState[Cyanogen]{^1\Sigma_g^+}
  \initialState[Diacetylene]{^1\Sigma_g}
  \initialState[Dinitrogen]{^1\Sigma_g}
  \initialState[Ethylene]{^1A_{1g}}
  \initialState[Formamide]{^1A^\prime}
  \initialState[Glyoxal]{^1A_g}
  \initialState[Hydrogen chloride]{^1\Sigma^+}
  \initialState[Imidazole]{^1A^\prime}
  \initialState[Methanimine]{^1A^\prime}
  \initialState[Nitrosomethane]{^1A^\prime}
  \initialState[Propynal]{^1A^\prime}
  \initialState[Pyrazine]{^1A_g}
  \initialState[Tetrazine]{^1A_g}
  \initialState[Thiopropynal]{^1A^\prime}
  \initialState[Triazine]{^1A^\prime}
\end{dfbOptions}

\begin{tabular}{p{3.5cm}p{3.3cm}c|cccc}
   & & \multicolumn{5}{c}{\AVTZ} \\
   Compound & State	& TBE(FC)  & CC2 & CC3 &ADC(2)& ADC(3) \\
  Acetaldehyde	&$^1A^{\prime\prime} (\Val;n \ra \pis)$					&4.31	&4.41	&4.31	&4.24	&4.29	\\
        &$^3A^{\prime\prime} (\Val;n \ra \pis)$					&3.97	&3.98	&3.95	&3.83	&3.89	\\
  Acetone		&$^1A_2 (\Val; n \ra \pis)$					& 4.47	&4.55	&4.48	&4.37	&4.50\\
        &$^1B_2 (\Ryd; n \ra 3s)$					& 6.46	&5.91	&6.43	&5.87	&6.91\\
        &$^1A_2 (\Ryd; n \ra 3p)$					& 7.47	&6.84	&7.45	&6.81	&7.90\\
        &$^1A_1 (\Ryd; n \ra 3p)$					& 7.51	&6.89	&7.48	&6.85	&7.92\\
        &$^1B_2 (\Ryd; n \ra 3p)$					& 7.62	&7.02	&7.59	&6.99	&8.01\\
        &$^3A_2 (\Val; n \ra \pis)$					& 4.13	&4.16	&4.15	&4.00	&4.12\\
        &$^3A_1 (\Val; \pi \ra \pis)$				& 6.25	&6.50	&6.28	&6.37	&6.01\\
  Acetylene		&$^1\Sigma_u^- (\Val;\pi \ra \pis)$ 			&7.10	&7.26	&7.09	&7.24	&6.72	\\
        &$^1\Delta_u	(\Val;\pi \ra \pis)$ 			&7.44 	&7.59	&7.42	&7.56	&7.06	\\
        &$^3\Sigma_u^+ (\Val;\pi \ra \pis)$ 			&5.53	&5.76	&5.50	&5.75	&5.24	\\
        &$^3\Delta_u	(\Val;\pi \ra \pis)$ 			&6.40	&6.60	&6.40	&6.57	&6.06	\\
        &$^3\Sigma_u^- (\Val;\pi \ra \pis)$ 			&7.08	&7.29	&7.07	&7.27	&6.72	\\
        &$^1A_u [\mathrm{F}]	(\Val;\pi \ra \pis)$			&3.64	&3.94	&3.64	&3.78	&2.85	\\
        &$^1A_2 [\mathrm{F}]	(\Val;\pi \ra \pis)$			&3.85	&4.11	&3.84	&3.99	&3.08	\\
  Acrolein		&$^1A^{\prime\prime} (\Val; n \ra \pis)$					& 3.78	&3.85	&3.74	&3.68	&3.76\\
        &$^1A^\prime (\Val; \pi \ra \pis)$					& 6.69	&6.80	&6.65	&6.74	&6.51\\
        &$^1A^\prime (\Ryd; n \ra 3s)$					& 7.08	&6.40	&7.07	&6.35	&7.57\\
        &$^3A^{\prime\prime} (\Val; n \ra \pis)$					& 3.51	&3.49	&3.46	&3.33	&3.45\\
        &$^3A^\prime (\Val; \pi \ra \pis)$					& 3.94	&4.06	&3.94	&4.05	&3.66\\
        &$^3A^\prime (\Val; \pi \ra \pis)$					& 6.18	&6.37	&6.19	&6.31	&5.86\\
  Ammonia		&$^1A_2 (\Ryd;n \ra 3s)$ 					&6.59	&6.39	&6.57	&6.40	&6.63	 \\
        &$^1E (\Ryd;n \ra 3p)$ 					&8.16	&7.85	&8.15	&7.87	&8.21 	\\
        &$^1A_1 (\Ryd;n \ra 3p)$ 					&9.33	&9.05	&9.32	&9.05	&9.38 	\\
        &$^1A_2 (\Ryd;n \ra 4s)$ 					&9.96	&9.65	&9.95	&9.67	&10.00	 \\
        &$^3A_2 (\Ryd;n \ra 3s)$ 					&6.31	&6.14	&6.29	&6.16	&6.31 	\\
  Carbon monoxyde	&$^1\Pi (\Val;n \ra \pis)$ 				& 8.49	&8.64	&8.49	&8.69	&8.24	 \\
        &$^1\Sigma^- (\Val;\pi \ra \pis)$				& 9.92	&10.30	&9.99	&10.03	&9.73	\\
        &$^1\Delta (\Val;\pi \ra \pis)$ 				&10.06	&10.60	&10.12	&10.30	&9.82	\\
        &$^1\Sigma^+ (\Ryd)$ 					&10.95	&11.11	&10.94	&11.32	&10.79	\\
        &$^1\Sigma^+ (\Ryd)$ 					&11.52	&11.63	&11.49	&11.83	&11.33	\\
        &$^1\Pi (\Ryd)$							&11.72	&11.83	&11.69	&12.03	&11.56	\\
        &$^3\Pi (\Val;n \ra \pis)$ 					& 6.28	&6.42	&6.30	&6.45	&5.97	\\
        &$^3\Sigma^+ (\Val;\pi \ra \pis)$			& 8.45	&8.72	&8.45	&8.54	&8.21	\\
        &$^3\Delta (\Val;\pi \ra \pis)$ 				& 9.27	&9.56	&9.30	&9.33	&9.03	\\
        &$^3\Sigma^- (\Val;\pi \ra \pis)$				& 9.80	&10.27	&9.82	&10.01	&9.53	\\
        &$^3\Sigma^+ (\Ryd)$ 					& 10.47	&10.60	&10.45	&10.83	&10.29	\\
  Benzene		&$^1B_{2u} (\Val; \pi \ra \pis)$				& 5.06	&5.26	&5.09	&5.27	&5.01\\
        &$^1B_{1u} (\Val; \pi \ra \pis)$				& 6.45	&6.48	&6.44	&6.45	&6.24\\
        &$^1E_{1g} (\Ryd; \pi \ra 3s)$				& 6.52	&6.47	&6.52	&6.52	&6.38\\
        &$^1A_{2u}  (\Ryd; \pi \ra 3p)$				& 7.08	&7.00	&7.08	&7.06	&6.92\\
        &$^1E_{2u}  (\Ryd; \pi \ra 3p)$				& 7.15	&7.06	&7.15	&7.12	&7.00\\
        &$^3B_{1u} (\Val; \pi \ra \pis)$				& 4.16	&4.37	&4.18	&4.37	&3.94\\
        &$^3E_{1u}(\Val; \pi \ra \pis)$				& 4.85	&5.08	&4.86	&5.07	&4.60\\
        &$^3B_{2u} (\Val; \pi \ra \pis)$				& 5.81	&5.89	&5.81	&5.87	&5.51\\
  Butadiene		&$^1B_u  (\Val; \pi \ra \pis)$				& 6.22	&6.16	&6.22	&6.12	&6.02\\
        &$^1B_g (\Ryd; \pi \ra 3s)$				& 6.33	&6.26	&6.33	&6.31	&6.12\\
        &$^1A_g  (\Val; \pi \ra \pis)$				& 6.50	&7.09	&6.67	&7.14	&5.86\\
        &$^1A_u (\Ryd; \pi \ra 3p)$				& 6.64	&6.57	&6.64	&6.63	&6.44\\
        &$^1A_u (\Ryd; \pi \ra 3p)$				& 6.80	&6.70	&6.80	&6.76	&6.59\\
        &$^1B_u (\Ryd; \pi \ra 3p)$				& 7.68	&7.63	&7.68	&7.48	&7.46\\
        &$^3B_u (\Val; \pi \ra \pis)$				& 3.36	&3.45	&3.36	&3.46	&3.09\\
        &$^3A_g (\Val; \pi \ra \pis)$				& 5.20	&5.30	&5.20	&5.27	&4.94\\
        &$^3B_g (\Ryd; \pi \ra 3s)$				& 6.29	&6.21	&6.28	&6.27	&6.06\\
  Cyanoacetylene&$^1\Sigma^- 	(\Val; \pi \ra \pis)$ 			& 5.80	&6.03	&5.80	&5.99	&5.37\\
        &$^1\Delta 	(\Val; \pi \ra \pis)$ 			& 6.07	&6.30	&6.08	&6.25	&5.64\\
        &$^3\Sigma^+	 (\Val; \pi \ra \pis)$ 			& 4.44	&4.80	&4.45	&4.77	&4.11\\
        &$^3\Delta 	(\Val; \pi \ra \pis)$ 			& 5.21	&5.50	&5.22	&5.46	&4.80\\
        &$^1A^{\prime\prime} [\mathrm{F}]	(\Val; \pi \ra \pis)$ 			& 3.54	&3.79	&3.54	&3.73	&2.78\\
  Cyanoformaldehyde	&$^1A^{\prime\prime} (\Val; n \ra \pis)$				& 3.81	&3.97	&3.83	&3.83	&3.77\\
        &$^1A^{\prime\prime} (\Val; \pi \ra \pis)$					& 6.46	&6.74	&6.42	&6.73	&6.07\\
        &$^3A^{\prime\prime} (\Val; n \ra \pis)$					& 3.44	&3.51	&3.46	&3.37	&3.38\\
        &$^3A^\prime (\Val; \pi \ra \pis)$					& 5.01	&5.34	&5.01	&5.27	&4.63\\
  Cyanogen		& $^1\Sigma_u^- (\Val; \pi \ra \pis)$ 			& 6.39	&6.72	&6.39	&6.67	&5.88\\
        & $^1\Delta_u (\Val; \pi \ra \pis)$ 			& 6.66 	&7.02	&6.66	&6.95	&6.16\\
        & $^3\Sigma_u^+ (\Val; \pi \ra \pis)$ 			& 4.91	&5.35	&4.90	&5.31	&4.49\\
        & $^1\Sigma_u^-  [\mathrm{F}]  (\Val; \pi \ra \pis)$		& 5.05 	&5.48	&5.06	&5.39	&4.32\\
  Cyclopentadiene&$^1B_2 (\Val; \pi \ra \pis)$	 			& 5.56	&5.52	&5.54	&5.49	&5.35\\
        &$^1A_2 (\Ryd; \pi \ra 3s)$			 	& 5.78	&5.66	&5.77	&5.71	&5.63\\
        &$^1B_1  (\Ryd; \pi \ra 3p)$			 	& 6.41	&6.26	&6.40	&6.31	&6.25\\
        &$^1A_2  (\Ryd; \pi \ra 3p)$			 	& 6.46	&6.30	&6.45	&6.35	&6.30\\
        &$^1B_2  (\Ryd; \pi \ra 3p)$			 	& 6.56	&6.42	&6.56	&6.48	&6.41\\
        &$^3B_2 (\Val; \pi \ra \pis)$		 		& 3.31	&3.42	&3.32	&3.42	&3.05\\
        &$^3A_1 (\Val; \pi \ra \pis)$		 		& 5.11	&5.36	&5.12	&5.23	&4.86\\
        &$^3A_2 (\Ryd; \pi \ra 3s)$			 	& 5.73	&5.62	&5.73	&5.67	&5.57\\
        &$^3B_1 (\Ryd; \pi \ra 3p)$			 	& 6.36	&6.22	&6.36	&6.27	&6.20\\ 	
  Cyclopropene	&$^1B_1 (\Val;\sigma \ra \pis)$				&6.68	&6.73	&6.68	&6.75	&6.56	\\
        &$^1B_2 (\Val;\pi \ra \pis)$				&6.79	&6.78	&6.73	&6.86	&6.56	\\
        &$^3B_2 (\Val;\pi \ra \pis)$				&4.38	&4.46	&4.34	&4.45	&4.09 	\\
        &$^3B_1 (\Val;\sigma \ra \pis)$				&6.45	&6.44	&6.40	&6.45	&6.26 	\\
  Cyclopropenone&$^1B_1 (\Val; n \ra \pis)$				& 4.26 	&4.01	&4.21	&3.88	&4.66\\ 	
        &$^1A_2 (\Val; n \ra \pis)$					& 5.55	&5.65	&5.57	&5.47	&5.61\\ 	
        &$^1B_2 (\Ryd; n \ra 3s)$					& 6.34	&5.84	&6.32	&5.79	&6.64\\ 	
        &$^1B_2 (\Val; \pi \ra \pis)$				& 6.54	&6.46	&6.54	&6.33	&6.83\\ 	
        &$^1B_2 (\Ryd; n \ra 3p)$					& 6.98	&6.56	&6.96	&6.43	&7.33\\ 	
        &$^1A_1 (\Ryd; n \ra 3p)$					& 7.02	&6.47	&7.00	&6.41	&7.36\\ 	
        &$^1A_1 (\Val; \pi \ra \pis)$				& 8.28	&8.28	&8.28	&8.10	&8.17\\ 	
        &$^3B_1 (\Val; n \ra \pis)$					& 3.93	&3.73	&3.91	&3.62	&4.28\\ 	
        &$^3B_2 (\Val; \pi \ra \pis)$				& 4.88	&4.99	&4.89	&4.90	&4.80\\ 	
        &$^3A_2 (\Val; n \ra \pis)$					& 5.35	&5.45	&5.37	&5.28	&5.36\\ 	
        &$^3A_1 (\Val; \pi \ra \pis)$				& 6.79	&6.42	&6.83	&6.84	&6.63\\ 	
  Cyclopropenethione&$^1A_2 (\Val; n \ra \pis)$				& 3.41	&3.53	&3.43	&3.38	&3.46\\ 	
        &$^1B_1 (\Val; n \ra \pis)$					& 3.45	&3.50	&3.43	&3.37	&3.82\\ 	
        &$^1B_2 (\Val; \pi \ra \pis)$				& 4.60	&4.91	&4.64	&4.72	&4.72\\ 	
        &$^1B_2 (\Ryd; n \ra 3s)$					& 5.34	&5.22	&5.34	&5.17	&5.41\\ 	
        &$^1A_1 (\Val; \pi \ra \pis)$				& 5.46	&5.59	&5.49	&5.36	&5.36\\ 	
        &$^1B_2 (\Ryd; n \ra 3p)$					& 5.92	&5.82	&5.93	&5.77	&6.02\\ 	
        &$^3A_2 (\Val; n \ra \pis)$					& 3.28	&3.37	&3.30	&3.23	&3.30\\ 	
        &$^3B_1 (\Val; n \ra \pis)$					& 3.32	&3.38	&3.31	&3.26	&3.65\\ 	
        &$^3B_2 (\Val; \pi \ra \pis)$				& 4.01	&4.24	&4.02	&4.12	&3.96\\ 	
        &$^3A_1 (\Val; \pi \ra \pis)$				& 4.01	&4.16	&4.03	&4.04	&3.83\\ 	
  Diacetylene	&$^1\Sigma_u^- (\Val; \pi \ra \pis)$			& 5.33	&5.51	&5.34	&5.49	&4.95 \\	
        &$^1\Delta_u 	(\Val; \pi \ra \pis)$			& 5.61	&5.76	&5.61	&5.72	&5.22 \\	
        &$^3\Sigma_u^+ (\Val; \pi \ra \pis)$			& 4.10	&4.39	&4.08	&4.37	&3.79 \\	
        &$^3\Delta_u 	(\Val; \pi \ra \pis)$			& 4.78	&5.03	&4.80	&5.01	&4.43 \\	
  Diazomethane	&$^1A_2 (\Val;\pi \ra \pis)$ 				&3.14	&3.37	&3.07	&3.34	&2.74	\\
        &$^1B_1 (\Ryd;\pi \ra 3s)$ 				&5.54	&5.53	&5.45	&5.63	&5.23	\\
        &$^1A_1 (\Val;\pi \ra \pis)$				&5.90	&6.00	&5.84	&5.97	&5.48	\\
        &$^3A_2 (\Val;\pi \ra \pis)$ 				&2.79	&3.08	&2.83	&3.01	&2.44	\\
        &$^3A_1 (\Val;\pi \ra \pis)$				&4.05	&4.25	&4.03	&4.20	&3.64	\\
        &$^3B_1 (\Ryd;\pi \ra 3s)$ 				&5.35	&5.40	&5.31	&5.50	&5.08	\\
        &$^3A_1 (\Ryd;\pi \ra 3p)$				&6.82	&7.04	&6.80	&7.09	&6.36	\\
        &$^1A^{\prime\prime} [\mathrm{F}]	(\Val;\pi \ra \pis)$			&0.71	&0.90	&0.68	&0.81	&0.24	\\
  Dinitrogen		&$^1\Pi_g (\Val;n \ra \pis)$ 				&9.34	&9.44	&9.34	&9.48	&9.16	\\
        &$^1\Sigma_u^- (\Val;\pi \ra \pis)$			&9.88	&10.32	&9.88	&10.26	&9.33	\\
        &$^1\Delta_u (\Val;\pi \ra \pis)$ 				&10.29	&10.86	&10.29	&10.79	&9.74	\\
        &$^1\Sigma_g^+ (\Ryd)$ 					&12.98	&12.83	&13.01	&12.99	&13.01	\\
        &$^1\Pi_u (\Ryd)$ 						&13.03	&13.15	&13.22	&13.32	&12.98	\\
        &$^1\Sigma_u^+ (\Ryd)$ 					&13.09	&12.89	&13.12	&13.07	&13.09	\\
        &$^1\Pi_u (\Ryd)$ 						&13.46	&13.96	&13.49	&14.00	&13.40	\\
        &$^3\Sigma_u^+ (\Val;\pi \ra \pis)$			&7.70	&8.19	&7.68	&8.15	&7.25	\\
        &$^3\Pi_g (\Val;n \ra \pis)$ 				&8.01	&8.19	&8.04	&8.20	&7.77	\\
        &$^3\Delta_u (\Val;\pi \ra \pis)$ 				&8.87	&9.30	&8.87	&9.25	&8.36	\\
        &$^3\Sigma_u^- (\Val;\pi \ra \pis)$			&9.66	&10.29	&9.68	&10.23	&9.14	\\
  Ethylene		&$^1B_{3u} (\Ryd;\pi \ra 3s)$ 				&7.39	&7.29	&7.35	&7.34	&7.17 	\\
        &$^1B_{1u} (\Val;\pi \ra \pis)$ 				&7.93	&7.92	&7.91	&7.91	&7.69 	\\
        &$^1B_{1g} (\Ryd;\pi \ra 3p)$ 				&8.08	&7.95	&8.03	&7.99	&7.84	\\
        &$^3B_{1u} (\Val;\pi \ra \pis)$ 				&4.54	&4.59	&4.53	&4.59	&4.28 	\\
        &$^3B_{3u} (\Ryd;\pi \ra 3s)$ 				&7.23	&7.19	&7.24	&7.23	&7.05	\\
        &$^3B_{1g} (\Ryd;\pi \ra 3p)$ 				&7.98	&7.91	&7.98	&7.95	&7.80	\\
  Formaldehyde	&$^1A_2 (\Val; n \ra \pis)$ 				&3.98	&4.07	&3.97	&3.92	&3.90 	\\
        &$^1B_2 (\Ryd;n \ra 3s)$ 					&7.23	&6.56	&7.18	&6.50	&7.62 	\\
        &$^1B_2 (\Ryd;n \ra 3p)$ 					&8.13	&7.57	&8.07	&7.53	&8.45	\\
        &$^1A_1 (\Ryd;n \ra 3p)$ 					&8.23	&7.52	&8.18	&7.47	&8.61 	\\
        &$^1A_2 (\Ryd;n \ra 3p)$ 					&8.67	&8.04	&8.64	&7.99	&9.02	\\
        &$^1B_1 (\Val;\sigma \ra \pis)$				&9.22	&9.32	&9.19	&9.17	&9.17	\\
        &$^1A_1 (\Val;\pi \ra \pis)$				&9.43	&9.54	&9.48	&9.46	&9.05 	\\
        &$^3A_2 (\Val;n \ra \pis)$ 					&3.58	&3.59	&3.57	&3.46	&3.48 	\\
        &$^3A_1 (\Val;\pi \ra \pis)$				&6.06	&6.30	&6.05	&6.20	&5.71	\\
        &$^3B_2 (\Ryd;n \ra 3s)$ 					&7.06	&6.44	&7.03	&6.39	&7.44 	\\
        &$^3B_2 (\Ryd;n \ra 3p)$ 					&7.94	&7.45	&7.92	&7.41	&8.23	\\
        &$^3A_1 (\Ryd;n \ra 3p)$ 					&8.10	&7.44	&8.08	&7.40	&8.46	\\
        &$^3B_1 (\Ryd;n \ra 3d)$ 					&8.42	&8.52	&8.41	&8.39	&8.32 	\\
        &$^1A^{\prime\prime} [\mathrm{F}] (\Val;n \ra \pis)$				&2.80	&2.97	&2.84	&2.71	&2.77 	\\
  Formamide	&$^1A^{\prime\prime} (\Val;n \ra \pis)$					&5.65	&5.69	&5.66	&5.45	&5.75	\\
        &$^3A^{\prime\prime} (\Val;n \ra \pis)$					&5.38	&5.36	&5.38	&5.15	&5.42	\\
        &$^3A^\prime (\Val;\pi \ra \pis)$					&5.81	&5.99	&5.82	&5.88	&5.63	\\
  Furan		&$^1A_2 (\Ryd; \pi \ra 3s)$				& 6.09 	&6.06	&6.08	&6.12	&5.95\\
        &$^1B_2 (\Val; \pi \ra \pis)$				& 6.37 	&6.45	&6.34	&6.47	&6.15\\
        &$^1A_1 (\Val; \pi \ra \pis)$				& 6.56 	&6.77	&6.58	&6.76	&6.48\\
        &$^1B_1  (\Ryd; \pi \ra 3p)$				& 6.64	&6.59	&6.63	&6.64	&6.49\\
        &$^1A_2  (\Ryd; \pi \ra 3p)$				& 6.81 	&6.75	&6.80	&6.82	&6.67\\
        &$^1B_2  (\Ryd; \pi \ra 3p)$				& 7.24    	&7.25	&7.23	&7.29	&7.09 \\	
        &$^3B_2 (\Val; \pi \ra \pis)$				& 4.20    	&4.43	&4.22	&4.41	&3.91 \\	
        &$^3A_1 (\Val; \pi \ra \pis)$				& 5.46    	&5.66	&5.48	&5.59	&5.23 \\	
        &$^3A_2 (\Ryd; \pi \ra 3s)$				& 6.02    	&6.01	&6.02	&6.08	&5.89 \\	
        &$^3B_1 (\Ryd; \pi \ra 3p)$				& 6.59    	&6.55	&6.59	&6.61	&6.45 \\	
  Glyoxal		&$^1A_u (\Val; n \ra \pis)$					& 2.88	&2.91	&2.88	&2.83	&2.83 \\	
        &$^1B_g (\Val; n \ra \pis)$					& 4.24	&4.44	&4.27	&4.27	&4.23 \\	
        &$^1B_g (\Val; n \ra \pis)$					& 6.57 	&6.51	&6.58	&6.50	&6.80 \\	
        &$^1B_u (\Ryd; n \ra 3p)$					& 7.71	&7.16	&7.67	&7.18	&7.86 \\	
        &$^3A_u (\Val; n \ra \pis)$					& 2.49	&2.47	&2.49	&2.39	&2.40 \\	
        &$^3B_g (\Val; n \ra \pis)$					& 3.89	&3.96	&3.90	&3.82	&3.85 \\	
        &$^3B_u (\Val; \pi \ra \pis)$				& 5.15	&5.42	&5.17	&5.33	&4.83 \\	
        &$^3A_g (\Val; \pi \ra \pis)$				& 6.30	&6.56	&6.30	&6.45	&5.93 \\	
  Hydrogen chloride	 & $^1\Pi (\mathrm{CT})$				&7.84	&7.96	&7.84	&7.97	&7.79	\\
  Hydrogen sulfide &$^1A_2 (\Ryd;n \ra 4p)$ 				&6.18	&6.35	&6.19	&6.37	&6.05	\\
        &$^1B_1 (\Ryd;n \ra 4s)$ 					&6.24	&6.30	&6.24	&6.34	&6.18	\\
        &$^3A_2 (\Ryd;n \ra 4p)$ 					&5.81	&5.91	&5.82	&5.91	&5.67	\\
        &$^3B_1 (\Ryd;n \ra 4s)$ 					&5.88	&5.94	&5.88	&5.96	&5.81	\\
  Imidazole		&$^1A^{\prime\prime} (\Ryd; \pi \ra 3s)$					& 5.71 	&5.69	&5.71	&5.75	&5.61 \\	
        &$^1A^\prime (\Val; \pi \ra \pis)$					& 6.41	&6.51	&6.41	&6.50	&6.31 \\	
        &$^1A^{\prime\prime} (\Val; n \ra \pis)$					& 6.50	&6.47	&6.50	&6.51	&6.39 \\	
        &$^3A^\prime (\Val; \pi \ra \pis)$					& 4.73	&4.94	&4.75	&4.92	&4.47 \\	
        &$^3A^{\prime\prime} (\Ryd; \pi \ra 3s)$					& 5.66	&5.66	&5.67	&5.72	&5.57 \\	
        &$^3A^\prime (\Val; \pi \ra \pis)$					& 5.74	&5.94	&5.74	&5.93	&5.49 \\	
        &$^3A^{\prime\prime} (\Val; n \ra \pis)$					& 6.31	&6.36	&6.33	&6.31	&6.26 \\	
  Isobutene		&$^1B_1 (\Ryd; \pi \ra 3s)$				& 6.46	&6.37	&6.45	&6.43	&6.33 \\	
        &$^1A_1 (\Ryd; \pi \ra 3p)$				& 7.01   	&6.95	&7.00	&6.97	&6.82 \\	
        &$^3A_1 (\Val; (\pi \ra \pis)$				& 4.53   	&4.62	&4.53	&4.62	&4.30 \\	
  Ketene		&$^1A_2 (\Val;\pi \ra \pis)$ 				&3.86	&4.17	&3.88	&4.11	&3.67 	\\
        &$^1B_1 (\Ryd;n \ra 3s)$ 					&6.01	&5.94	&5.96	&6.03	&5.87	\\
        &$^1A_2 (\Ryd;\pi \ra 3p)$ 				&7.18	&7.09	&7.16	&7.18	&7.07	\\
        &$^3A_2 (\Val;n \ra \pis)$ 					&3.77	&3.98	&3.78	&3.92	&3.56 	\\
        &$^3A_1 (\Val;\pi \ra \pis)$ 				&5.61	&5.72	&5.61	&5.67	&5.39 	\\
        &$^3B_1 (\Ryd;n \ra 3s)$ 					&5.79	&5.77	&5.76	&5.85	&5.67	\\
        &$^3A_2 (\Ryd;\pi \ra 3p)$ 				&7.12	&7.06	&7.12	&7.15	&7.03 	\\
        &$^1A^{\prime\prime} [\mathrm{F}] (\Val;\pi \ra \pis)$	&1.00		&1.26	&1.00	&1.19	&0.67	\\
  Methanimine	&$^1A^{\prime\prime} (\Val; n \ra \pis)$ 					&5.23	&5.32	&5.20	&5.29	&5.05	\\
        &$^3A^{\prime\prime} (\Val; n \ra \pis)$					&4.65	&4.65	&4.61	&4.61	&4.44	\\
  Methylenecyclopropene&	$^1B_2 (\Val; \pi \ra \pis)$			& 4.28	&4.51	&4.31	&4.46	&4.18 \\	
        &$^1B_1 (\Ryd; \pi \ra 3s)$				& 5.44	&5.35	&5.44	&5.38	&5.26 \\	
        &$^1A_2 (\Ryd; \pi \ra 3p)$				& 5.96	&5.85	&5.95	&5.87	&5.78 \\	
        &$^3B_2 (\Val; \pi \ra \pis)$				& 3.49	&3.64	&3.50	&3.61	&3.30\\
        &$^3A_1 (\Val; \pi \ra \pis)$				& 4.74	&4.81	&4.74	&4.80	&4.51\\ 	
  Nitrosomethane&$^1A^{\prime\prime} (\Val;n \ra \pis)$					&1.96	&1.98	&1.96	&1.88	&1.72	\\
        &$^1A^\prime (\Ryd;n \ra 3s/3p)$ 				&6.40	&5.84	&6.31	&5.86	&6.48	\\
        &$^3A^{\prime\prime} (\Val;n \ra \pis)$					&1.16	&1.12	&1.14	&1.03	&0.84	\\
        &$^3A^\prime (\Val;\pi \ra \pis)$					&5.60	&5.74	&5.51	&5.75	&5.04	\\
        &$^1A^{\prime\prime} [\mathrm{F}]	(\Val;n \ra \pis)$				&1.67	&1.68	&1.69	&1.55	&1.40	\\
  Propynal		& $^1A^{\prime\prime} (\Val; n \ra \pis)$					& 3.80 	&3.96	&3.82	&3.78	&3.81\\ 	
        &$^1A^{\prime\prime} (\Val; \pi \ra \pis)$					& 5.54	&5.71	&5.51	&5.73	&5.20\\ 	
        &$^3A^{\prime\prime} (\Val; n \ra \pis)$					& 3.47	&3.53	&3.49	&3.38	&3.45\\ 	
        &$^3A^\prime (\Val; \pi \ra \pis)$					& 4.47	&4.71	&4.43	&4.67	&4.10\\ 	
  Pyrazine		&$^1B_{3u}  (\Val; n \ra \pis)$				& 4.15	&4.14	&4.14	&4.17	&4.13\\ 	
        &$^1A_u    (\Val; n \ra \pis)$				& 4.98	&4.86	&4.97	&4.88	&5.21\\ 	
        &$^1B_{2u}  (\Val; \pi \ra \pis)$				& 5.02	&5.14	&5.03	&5.47	&4.88\\ 	
        &$^1B_{2g}  (\Val; n \ra \pis)$				& 5.71	&5.86	&5.71	&5.87	&5.67\\ 	
        &$^1A_g    (\Ryd; n \ra 3s)$				& 6.65	&6.20	&6.66	&6.30	&6.96\\ 	
        &$^1B_{1g}  (\Val; n \ra \pis)$				& 6.74	&6.67	&6.73	&6.67	&7.00\\ 	
        &$^1B_{1u}  (\Val; \pi \ra \pis)$				& 6.88	&6.89	&6.86	&6.88	&6.66\\ 	
        &$^1B_{1g}  (\Ryd; \pi \ra 3s)$				& 7.21	&7.21	&7.20	&7.27	&7.18\\ 	
        &$^1B_{2u}  (\Ryd; n \ra 3p)$				& 7.24	&6.74	&7.25	&	 	&\\
        &$^1B_{1u}  (\Ryd; n \ra 3p)$				& 7.44	&7.03	&7.45	&	 	&\\
        &$^3B_{3u}  (\Val; n \ra \pis)$				& 3.59 	&3.60	&3.59	&3.62	&3.52\\ 	
        &$^3B_{1u}  (\Val; \pi \ra \pis)$				& 4.35	&4.60	&4.39	&4.57	&4.05\\ 	
        &$^3B_{2u}  (\Val; (\pi \ra \pis)$				& 4.39	&4.57	&4.40	&4.59	&4.10 \\	
        &$^3A_u    (\Val; n \ra \pis)$				& 4.93	&4.82	&4.93	&4.84	&5.15 \\	
        &$^3B_{2g}  (\Val; n \ra \pis)$				& 5.08	&5.19	&5.08	&	 	&\\
        &$^3B_{1u}  (\Val; \pi \ra \pis)$				& 5.28	&5.59	&5.29	&	 	&\\
  Pyridazine		&$^1B_1 (\Val; n \ra \pis)$					& 3.83	&3.78	&3.83	&3.79	&3.86 \\	
        &$^1A_2 (\Val; n \ra \pis)$					& 4.37   	&4.26	&4.37	&4.27	&4.60 \\	
        &$^1A_1 (\Val; \pi \ra \pis)$				& 5.26 	&5.43	&5.29	&5.44	&5.18 \\	
        &$^1A_2 (\Val; n \ra \pis)$					& 5.72	&5.79	&5.74	&5.81	&5.74 \\	
        &$^1B_2  (\Ryd; n \ra 3s)$				& 6.17	&5.59	&6.17	&5.69	&6.67 \\	
        &$^1B_1 (\Val; n \ra \pis)$					& 6.37	&6.33	&6.37	&6.35	&6.62 \\	
        &$^1B_2 (\Val; \pi \ra \pis)$				& 6.75	&6.86	&6.74	&6.85	& 	\\
        &$^3B_1 (\Val; n \ra \pis)$					& 3.19	&3.18	&3.19	&3.19	&3.12 \\	
        &$^3A_2 (\Val; n \ra \pis)$					& 4.11	&4.01	&4.11	&4.02	&4.22 \\	
        &$^3A_1 (\Val; \pi \ra \pis)$				& 4.82	&5.07	&4.83	&5.06	&4.46 \\	
  Pyridine		&$^1B_1 (\Val; n \ra \pis)$					& 4.95 	&4.99	&4.96	&4.98	&4.99 \\ 	
        &$^1B_2 (\Val; \pi \ra \pis)$				& 5.14	&5.32	&5.17	&5.33	&5.08 \\ 	
        &$^1A_2 (\Val; n \ra \pis)$					& 5.40	&5.28	&5.40	&5.27	&5.70 \\	
        &$^1A_1 (\Val; \pi \ra \pis)$				& 6.62	&6.21	&6.63	&6.31	&7.17 \\	
        &$^1A_1 (\Ryd; n \ra 3s)$					& 6.76	&6.68	&6.76	&6.65	&6.39 \\	
        &$^1A_2 (\Ryd; \pi \ra 3s)$				& 6.82	&6.79	&6.81	&6.83	&6.65 \\	
        &$^1B_1 (\Ryd; \pi \ra 3p)$				& 7.39	&7.34	&7.38	&7.38	&7.21 \\	
        &$^1A_1 (\Val; \pi \ra \pis)$				& 7.39	&7.45	&7.39	&7.48	&7.27 \\	
        &$^3A_1 (\Val; \pi \ra \pis)$				& 4.30	&4.53	&4.33	&4.53	&4.06 \\	
        &$^3B_1 (\Val; n \ra \pis)$					& 4.46	&4.48	&4.46	&4.47	&4.43 \\	
        &$^3B_2 (\Val; \pi \ra \pis)$				& 4.79	&4.98	&4.79	&4.98	&4.49 \\	
        &$^3A_1 (\Val; \pi \ra \pis)$				& 5.04	&5.29	&5.05	&5.28	&4.75 \\	
        &$^3A_2 (\Val; n \ra \pis)$					& 5.36	&5.24	&5.35	&5.23	&5.62 \\	
        &$^3B_2 (\Val; \pi \ra \pis)$				& 6.24	&6.39	&6.25	&6.35	&5.98 \\	
  Pyrimidine		&$^1B_1 (\Val; n \ra \pis)$					& 4.44	&4.41	&4.44	&4.37	&4.54 \\	
        &$^1A_2 (\Val; n \ra \pis)$					& 4.85	&4.77	&4.86	&4.73	&5.06 \\	
        &$^1B_2 (\Val; \pi \ra \pis)$				& 5.38	&5.54	&5.41	&5.52	&5.33 \\	
        &$^1A_2 (\Val; n \ra \pis)$					& 5.92	&5.96	&5.93	&5.93	&6.08 \\	
        &$^1B_1 (\Val; n \ra \pis)$					& 6.26	&6.25	&6.26	&6.22	&6.52 \\	
        &$^1B_2  (\Ryd; n \ra 3s)$				& 6.70	&6.20	&6.72	&6.25	&7.11 \\	
        &$^1A_1 (\Val; \pi \ra \pis)$				& 6.88	&6.84	&6.87	&6.83	&6.52 \\	
        &$^3B_1 (\Val; n \ra \pis)$					& 4.09	&4.07	&4.10	&4.05	&4.12 \\	
        &$^3A_2 (\Val; n \ra \pis)$					& 4.66	&4.60	&4.66	&4.58	&4.73 \\	
        &$^3B_2 (\Val; \pi \ra \pis)$				& 4.96	&5.17	&4.96	&5.14	&4.63 \\	
   Pyrrole		&$^1A_2 (\Ryd; \pi \ra 3s)$				& 5.24	&5.23	&5.24	&5.30	&5.14 \\	
        &$^1B_1 (\Ryd; \pi \ra 3p)$				& 6.00 	&5.91	&5.98	&5.94	&5.89 \\	
        &$^1A_2 (\Ryd; \pi \ra 3p)$				& 6.00	&5.96	&6.01	&6.03	&5.91 \\	
        &$^1B_2 (\Val; (\pi \ra \pis)$				& 6.26 	&6.30	&6.25	&6.35	&6.11 \\	
        &$^1A_1 (\Val; \pi \ra \pis)$				& 6.30 	&6.47	&6.32	&6.47	&6.29 \\	
        &$^1B_2 (\Ryd; \pi \ra 3p)$				& 6.83	&6.89	&6.83	&6.91	&6.69 \\	
        &$^3B_2 (\Val; \pi \ra \pis)$				& 4.51	&4.72	&4.53	&4.71	&4.26 \\	
        &$^3A_2 (\Ryd; \pi \ra 3s)$				& 5.21	&5.20	&5.21	&5.27	&5.11 \\	
        &$^3A_1 (\Val; \pi \ra \pis)$				& 5.45	&5.66	&5.46	&5.62	&5.23 \\	
        &$^3B_1 (\Ryd; \pi \ra 3p)$				& 5.91	&5.86	&5.92	&5.89	&5.84 \\	
  Streptocyanine &$^1B_2 (\Val;\pi \ra \pis)$ 				&7.13	&7.20	&7.13	&7.00	&7.16	\\
        &$^3B_2 (\Val;\pi \ra \pis)$ 				& 5.47	&5.60	&5.48	&5.55	&5.33	\\
  Tetrazine		&$^1B_{3u}  (\Val; n \ra \pis)$				& 2.47	&2.38	&2.46	&2.42	&2.42 \\	
        &$^1A_u    (\Val; n \ra \pis)$				& 3.69	&3.53	&3.67	&3.58	&3.87 \\	
        &$^1B_{1g}  (\Val; n \ra \pis)$				& 4.93	&5.02	&4.91	&5.04	&4.97 \\	
        &$^1B_{2u}  (\Val; \pi \ra \pis)$				& 5.21	&5.31	&5.23	&5.31	&5.08 \\	
        &$^1B_{2g}  (\Val; n \ra \pis)$				& 5.45	&5.64	&5.46	&5.68	&5.13 \\	
        &$^1A_u    (\Val; n \ra \pis)$				& 5.53	&5.56	&5.52	&5.59	&5.49 \\	
        &$^1B_{2g}  (\Val; n \ra \pis)$				& 6.12	&6.18	&6.13	&6.21	&6.50 \\	
        &$^1B_{1g}  (\Val; n \ra \pis)$				& 6.91	&6.95	&6.92	&6.97	&6.59 \\	
        &$^3B_{3u}  (\Val; n \ra \pis)$				& 1.85	&1.81	&1.85	&1.85	&1.74 \\	
        &$^3A_u    (\Val; n \ra \pis)$				& 3.45	&3.31	&3.44	&3.35	&3.54 \\	
        &$^3B_{1g}  (\Val; n \ra \pis)$				& 4.20	&4.27	&4.20	&4.27	&4.06 \\	
        &$^3B_{2u}  (\Val; \pi \ra \pis)$				& 4.52	&4.77	&4.52	&4.76	&4.06 \\	
        &$^3B_{2g}  (\Val; n \ra \pis)$				& 5.04	&5.15	&5.05	&5.16	&4.86 \\	
        &$^3A_u    (\Val; n \ra \pis)$				& 5.11	&5.13	&5.11	&5.16	&5.07 \\	
        &$^3B_{1u}  (\Val; \pi \ra \pis)$				& 5.42	&5.70	&5.42	&5.67	&5.06 \\	
  Thioacetone	&$^1A_2 (\Val; n \ra \pis)$					& 2.53 	&2.63	&2.55	&2.47	&2.50 \\	
        &$^1B_2 (\Ryd; n \ra 4s)$					& 5.56 	&5.50	&5.55	&5.47	&5.65\\
        &$^1A_1 (\Val; \pi \ra \pis)$				& 5.88	&6.09	&5.90	&5.87	&5.53 \\	
        &$^1B_2 (\Ryd; n \ra 4p)$					& 6.51	&6.44	&6.51	&6.43	&6.53 \\	
        &$^1A_1 (\Ryd; n \ra 4p)$					& 6.61	&6.53	&6.61	&6.48	&6.64 \\	
        &$^3A_2 (\Val; n \ra \pis)$					& 2.33 	&2.33	&2.34	&2.20	&2.26 \\	
        &$^3A_1 (\Val; \pi \ra \pis)$				& 3.45	&3.59	&3.46	&3.52	&3.17 \\	
  Thioformaldehyde&$^1A_2 (\Val;n \ra \pis)$ 				&2.22	&2.34	&2.23	&2.24	&2.05	\\
        &$^1B_2 (\Ryd;n \ra 4s)$ 					&5.96	&5.82	&5.91	&5.80	&5.94 	\\
        &$^1A_1 (\Val;\pi \ra \pis)$				&6.38	&6.71	&6.48	&6.57	&5.98 	\\
        &$^3A_2 (\Val;n \ra \pis)$ 					&1.94	&1.94	&1.94	&1.86	&1.77	\\
        &$^3A_1 (\Val;\pi \ra \pis)$				& 3.43	&3.48	&3.38	&3.45	&3.07 	\\
        &$^3B_2 (\Ryd;n \ra 4s)$ 					&5.72	&5.64	&5.72	&5.62	&5.71	\\
        &$^1A_2 [\mathrm{F}] (\Val;n \ra \pis)$				&1.95	&2.09	&1.97	&1.92	&1.80	\\
  Thiophene	&$^1A_1 (\Val; \pi \ra \pis)$				& 5.64	&5.75	&5.65	&5.72	&5.61 \\	
        &$^1B_2 (\Val; \pi \ra \pis)$				& 5.98	&6.07	&5.96	&6.07	&5.79 \\	
        &$^1A_2 (\Ryd; \pi \ra 3s)$				& 6.14	&6.07	&6.14	&6.15	&6.03 \\	
        &$^1B_1 (\Ryd; \pi \ra 3p)$				& 6.14	&6.15	&6.14	&6.24	&6.02 \\	
        &$^1A_2 (\Ryd; \pi \ra 3p)$				& 6.21	&6.35	&6.25	&6.35	&6.14 \\	
        &$^1B_1 (\Ryd; \pi \ra 3s)$				& 6.49	&6.48	&6.50	&6.51	&6.43 \\	
        &$^1B_2 (\Ryd; \pi \ra 3p)$				& 7.29 	&7.26	&7.29	&7.34	&7.18 \\ 	
        &$^3B_2 (\Val; \pi \ra \pis)$				& 3.92	&4.12	&3.94	&4.11	&3.65 \\	
        &$^3A_1 (\Val; \pi \ra \pis)$				& 4.76	&4.91	&4.77	&4.86	&4.56 \\	
        &$^3B_1 (\Ryd; \pi \ra 3p)$				& 5.93	&6.00	&5.95	&6.09	&5.83 \\	
        &$^3A_2 (\Ryd; \pi \ra 3s)$				& 6.08	&6.03	&6.09	&6.11	&5.97 \\	
  Thiopropynal	&$^1A^{\prime\prime}  (\Val; n \ra \pis)$					& 2.03	&2.20	&2.05	&2.08	&1.86 \\	
        &$^3A^{\prime\prime}   (\Val; n \ra \pis)$					& 1.80	&1.84	&1.81	&1.74	&1.63 \\	
  Triazine		&$^1A_1^{\prime\prime} (\Val; n \ra \pis)$				& 4.72	&4.64	&4.73	&4.58	&4.83 \\	
        &$^1A_2^{\prime\prime} (\Val; n \ra \pis)$				& 4.75	&4.75	&4.74	&4.69	&4.99 \\	
        &$^1E^{\prime\prime} (\Val; n \ra \pis)$					& 4.78	&4.72	&4.78	&4.66	&4.95 \\	
        &$^1A_2^\prime (\Val; \pi \ra \pis)$				& 5.75	&5.89	&5.78	&5.83	&5.78 \\	
        &$^1A_1^\prime (\Val; \pi \ra \pis)$				& 7.24	&7.32	&7.24	&7.18	&6.78 \\	
        &$^1E^\prime (\Ryd; n \ra 3s)$					& 7.32	&6.87	&7.35	&6.89	&7.68 \\	
        &$^1E^{\prime\prime} (\Val; n \ra \pis)$					& 7.78	&7.71	&7.79	&	 	&\\
        &$^1E^\prime (\Val; \pi \ra \pis)$					& 7.94	&7.63	&7.92	&7.65	&7.88 \\	
        &$^3A_2^{\prime\prime} (\Val; n \ra \pis)$				& 4.33	&4.32	&4.33	&4.29	&4.35 \\	
        &$^3E^{\prime\prime} (\Val; n \ra \pis)$					& 4.51	&4.46	&4.51	&4.42	&4.59 	\\
        &$^3A_1^{\prime\prime} (\Val; n \ra \pis)$				& 4.73	&4.65	&4.75	&4.59	&4.53 	\\
        &$^3A_1^\prime (\Val; \pi \ra \pis)$				& 4.85	&5.12	&4.88	&5.10	&4.97 	\\
        &$^3E^\prime (\Val; \pi \ra \pis)$					& 5.59	&5.88	&5.61	&5.82	&5.32 	\\
        &$^3A_2^\prime (\Val; (\pi \ra \pis)$				& 6.62	&6.76	&6.63	&6.63	&6.27 	\\
  Water		& $^1B_1 (\Ryd; n \ra 3s)$ 				&7.62	&7.23	&7.65	&7.18	&7.84	\\
        & $^1A_2 (\Ryd; n \ra 3p)$ 				&9.41	&8.89	&9.43	&8.84	&9.63	\\
        & $^1A_1 (\Ryd; n \ra 3s)$ 				&9.99	&9.58	&10.00	&9.52	&10.22	\\
        & $^3B_1 (\Ryd; n \ra 3s)$ 				&7.25	&6.91	&7.28	&6.86	&7.41	\\
        & $^3A_2 (\Ryd; n \ra 3p)$ 				&9.24 	&8.77	&9.26	&8.72	&9.43	\\
        & $^3A_1 (\Ryd; n \ra 3s)$ 				&9.54	&9.20	&9.56	&9.15	&9.70	\\
   \end{tabular}