% 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{\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{\ACVQZ}{aug-cc-pCVQZ}
\newcommand{\DAVQZ}{d-aug-cc-pVQZ}
\newcommand{\TAVQZ}{t-aug-cc-pVQZ}
\newcommand{\AVPZ}{aug-cc-pV5Z}
\newcommand{\DAVPZ}{d-aug-cc-pV5Z}
\begin{dfbOptions}
	\format{exoticcolumn}
      \initialState{^2A_1}
      \initialState[Allyl]{^2A_2}
      \initialState[\ce{BeF}]{^2\Sigma^+}
      \initialState[\ce{BeF}]{^2\Sigma^+}
      \initialState[\ce{BeH}]{^2\Sigma^+}
      \initialState[\ce{CH}]{^2\Pi}
      \initialState[\ce{CH3}]{^2A_2^{\prime\prime}}
      \initialState[\ce{CN}]{^2\Sigma^+}
      \initialState[\ce{CNO}]{^2\Sigma^+}
      \initialState[\ce{CO+}]{^2\Sigma^+}
      \initialState[\ce{F2BO}]{^2B_2}
      \initialState[\ce{H2BO}]{^2B_2}
      \initialState[\ce{HCO}]{^2A^\prime}
      \initialState[\ce{HOC}]{^2A^\prime}
      \initialState[\ce{H2PO}]{^2A^\prime}
      \initialState[\ce{H2PS}]{^2A^\prime}
      \initialState[\ce{NCO}]{^2\Pi}
      \initialState[\ce{NH2}]{^2B_1}
      \initialState[Nitromethyl]{^2B_1}  
      \initialState[\ce{NO}]{^2B_1}
      \initialState[\ce{OH}]{^2\Pi}
      \initialState[\ce{PH2}]{^2B_1}
      \initialState[Vinyl]{^2A^{\prime\prime}}
\end{dfbOptions}

\begin{tabular}
      &     & \multicolumn{5}{c}{\AVTZ} \\
        &			&TBE(FC)		& U-CCSD & RO-CCSD & U-CC3 & RO-CC3 \\
  Allyl			&$^2B_1$		&3.39	&3.70	&3.48	&3.48	&3.44	\\
        &$^2A_1$		&4.99	&5.12	&5.01	&4.97	&4.95	\\
  \ce{BeF}			&$^2\Pi$		&4.14	&4.18	&4.18	&4.15	&4.15	\\
        &$^2\Sigma^+$	&6.21	&6.31	&6.31	&6.21	&6.21	\\
  \ce{BeH}			&$^2\Pi$		&2.49	&2.51	&2.51	&2.50	&2.50	\\
        &$^2\Pi$		&6.46	&6.47	&6.47	&6.46	&6.46	\\
  \ce{BH2}		&$^2B_1$		&1.18	&1.20	&1.20	&1.19	&1.20	\\
  \ce{CH}			&$^2\Delta$	&2.91	&3.18	&3.17	&3.11	&3.10	\\
        &$^2\Sigma^-$	&3.29	&4.58	&4.39	&3.61	&3.55	\\
        &$^2\Sigma^+$	&3.98	&5.47	&5.36	&4.45	&4.40	\\
  \ce{CH3}		&$^2A_1^\prime$	&5.85	&5.89	&5.87	&5.86	&5.85	\\
        &$^2E^\prime$		&6.96	&7.00	&6.98	&6.97	&6.97	\\
        &$^2E^\prime$		&7.18	&7.21	&7.20	&7.19	&7.19	\\
        &$^2A_2^{\prime\prime}$	&7.65	&7.67	&7.66	&7.65	&7.65	\\
  \ce{CN}			&$^2\Pi$		&1.34	&1.56	&1.34	&1.40	&1.36	\\
        &$^2\Sigma^+$	&3.22	&3.54	&3.35	&3.31	&3.26	\\
  \ce{CNO}			&$^2\Sigma^+$	&1.61	&2.24	&2.25	&1.75	&1.77	\\
        &$^2\Pi$		&5.49	&5.68	&5.60	&5.52	&5.51	\\
  \ce{CO+}		&$^2\Pi$		&3.28	&3.60	&3.29	&3.33	&3.29	\\
        &$^2\Sigma^+$	&5.81	&6.21	&6.02	&5.76	&5.68	\\
  \ce{F2BO}		&$^2B_1$		&0.73	&0.74	&0.73	&0.71	&0.71	\\
        &$^2A_1$		&2.80	&2.84	&2.83	&2.79	&2.79	\\
  \ce{F2BS}		&$^2B_1$		&0.51	&0.51	&0.49	&0.48	&0.48	\\
        &$^2A_1$		&2.99	&3.03	&3.01	&2.94	&2.93	\\
  \ce{H2BO}		&$^2B_1$		&2.15	&2.14	&2.13	&2.17	&2.17	\\
        &$^2A_1$		&3.49	&3.53	&3.51	&3.52	&3.52	\\
  \ce{HCO}			&$^2A^{\prime\prime}$		&2.09	&2.14	&2.13	&2.10	&2.11	\\
        &$^2A^\prime$		&5.45	&5.54	&5.53	&5.44	&5.44	\\
  \ce{HOC}			&$^2A^{\prime\prime}$		&0.92	&0.95	&0.93	&0.93	&0.93	\\
  \ce{H2PO}		&$^2A^{\prime\prime}$		&2.80	&2.91	&2.91	&2.83	&2.83	\\
        &$^2A^\prime$		&4.21	&4.26	&4.27	&4.21	&4.23	\\
  \ce{H2PS}		&$^2A^{\prime\prime}$		&1.16	&1.18	&1.14	&1.16	&1.15	\\
        &$^2A^\prime$		&2.72	&2.79	&2.77	&2.75	&2.75	\\
  \ce{NCO}			&$^2\Sigma^+$	&2.89	&3.04	&2.94	&2.94	&2.86	\\
        &$^2\Pi$		&4.73	&5.01	&5.02	&4.80	&4.81	\\
  \ce{NH2}		&$^2A_1$		&2.12	&2.13	&2.12	&2.13	&2.12	\\
  Nitromethyl	&$^2B_2$		&2.05	&2.47	&2.46	&2.06	&2.05	\\
        &$^2A_2$		&2.38	&2.71	&2.71	&2.47	&2.46	\\
        &$^2A_1$		&2.56	&2.94	&2.93	&2.56	&2.55	\\
        &$^2B_1$		&5.35	&5.59	&5.56	&5.38	&5.36	\\
  \ce{NO}			&$^2\Sigma^+$&6.13	&6.23	&6.21	&6.13	&6.12	\\
        &$^2\Sigma^+$	&7.29	&7.40	&7.38	&7.30	&7.28	\\
  \ce{OH}			&$^2\Sigma^+$	&4.10	&4.14	&4.13	&4.13	&4.13	\\
        &$^2\Sigma^-$	&8.02	&7.75	&7.76	&7.66	&7.66	\\
  \ce{PH2}		&$^2A_1$		&2.77	&2.81	&2.78	&2.78	&2.77	\\
  Vinyl			&$^2A^{\prime\prime}$		&3.26	&3.51	&3.35	&3.34	&3.30	\\
        &$^2A^{\prime\prime}$		&4.69	&4.91	&4.80	&4.76	&4.73	\\
        &$^2A^\prime$		&6.20	&6.38	&6.32	&6.22	&6.24	\\
  \end{tabular}