fix #10

Author: jeanwsr

chap3/3-32.xlsx

@@ -697,15 +697,15 @@ \subsubsection{Total Energies}
 		\hline
 		basis & $ \Delta E /  $ a.u.& $ \Delta E /(\si{kcal/mol}) $ &\\
 		\hline
-		STO-3G   &  0.186 &	116.72 & endoergic	\\ \cline{4-4}
-		4-31G    & -0.114 &	-71.54 & \multirow{4}{*}{exoergic}\\
-		6-31G*   & -0.088 &	-55.22 &\\
+		STO-3G   & -0.114 &	-71.54 & \\ 
+		4-31G    & -0.114 &	-71.54 & \\
+		6-31G*   & -0.088 &	-55.22 & exoergic\\
 		6-31G**  & -0.095 &	-59.61 &\\
 		HF-limit & -0.097 &	-60.87 &\\
 		\hline	
 	\end{tabular}
 \end{table}
-The contribution of zero-point vibrations to the energy change of reaction I would be $ \SI{-0.37}{kcal/mol} $, to the energy change of reaction II would be $ \SI{17.78}{kcal/mol} $. Thus the effect of zero-point vibrations should not be ignored.
+The contribution of zero-point vibrations to the energy change of reaction I would be $ \SI{19.03}{kcal/mol} $, to the energy change of reaction II would be $ \SI{17.78}{kcal/mol} $. Thus the effect of zero-point vibrations should not be ignored.
 
 \subsubsection{Ionization Potentials}