updated figures+Ssquare

Manuscript/CBD-SI.tex

@@ -134,6 +134,49 @@ H            -2.092429    0.000000    0.000000
 \end{verbatim}
 %%%%%%%%%%%%%%%%%%%%%%%%
 
+%%%%%%%%%%%%%%%%%%%%%%%%
+\begin{squeezetable}
+\begin{table}
+	\caption{$\left\langle S^2 \right\rangle$ value for the different excited states considered at the aug-cc-pVTZ basis for the {\Dtwo} and {\Dfour} structures.
+	}
+%	\label{tab:Ssquare}
+	\begin{ruledtabular}
+	\begin{tabular}{lrrrrrr}
+
+ &\mc{2}{r}{$\left\langle S^2 \right\rangle$ ({\Dtwo} )} & \mc{3}{r}{{$\left\langle S^2 \right\rangle$ (\Dfour})} \\
+									\cline{2-4}  \cline{5-7}
+Method		&	 {\tBoneg}	&	{\sBoneg} &	 {\twoAg} & 	{\Atwog}	&	 {\Aoneg}	&	{\Btwog} \\
+	\hline
+SF-TD-B3LYP 
+ &  $1.989$ & $0.030$ & $0.017$ & $2.007$ & $0.014$ & $0.012$\\[0.1cm]
+ 
+SF-TD-PBE0 
+ & $2.001$ & $0.021$ & $0.019$ & $2.009$ & $0.018$ & $0.012$ \\[0.1cm]
+ 
+SF-TD-BH\&HLYP 
+&  $2.017$ & $0.026$ & $0.041$ & $2.020$ & $0.021$ & $0.018$\\[0.1cm]
+
+ SF-TD-M06-2X 
+& $2.014$ & $0.017$ & $0.040$ & $2.014$ & $0.015$ & $0.012$\\[0.1cm]
+
+SF-TD-CAM-B3LYP 
+ & $1.990$ & $0.033$ & $0.024$ & $2.008$ & $0.013$ & $0.012$\\[0.1cm]
+
+ SF-TD-$\omega$B97X-V 
+& $1.986$ & $0.035$ & $0.024$ & $2.008$ & $0.012$ & $0.010$\\[0.1cm]
+
+ SF-TD-LC-$\omega $PBE08 
+& $1.984$ & $0.044$ & $0.031$ & $2.012$ & $0.015$ & $0.012$\\[0.1cm]
+
+SF-TD-M11 
+& $2.011$ & $0.023$ & $0.045$ & $2.012$ & $0.016$ & $0.014$\\
+
+		\end{tabular}
+	\end{ruledtabular}
+\end{table}
+\end{squeezetable}
+%%% %%% %%% %%%
+%%%%%%%%%%%%%%%%%%%%%%%%
 
 
 \end{document}