\begin{table}%ta1 %\centering \par \caption{\label{tabA.1}Relative stability (kcal/mol) and dipole moments (Debye) of isomers with same generic formula. } %\centering \renewcommand{\footnoterule}{PLEASE INCLUDE THE MEANING OF THE FOOTNOTES} \begin{tabular}{llclcccc} \hline \hline Generic & Most stable & $\mu $ & Other & $\mu$ & $\Delta E$ & $\Delta E$ & $\Delta E$ \\ formula & isomer & B3LYP\tablefootmark{a/b} &isomers& B3LYP\tablefootmark{a/b} & B3LYP\tablefootmark{a} & B3LYP\tablefootmark{b} & CCSD(T)\tablefootmark{c}\\ \hline HCO$^+$ &HCO$^+$ & 3.7/3.7 & HOC$^+$ & 2.6/2.6 & 37.3 & 36.7 & 37.9 \\ HCN &HCN & 2.9/3.0 & HNC & 3.1/3.1 & 14.3 & 13.6 & 14.5 \\ C$_3$H &cyc-C$_3$H & 3.6/3.6 & C$_3$H & 2.3/2.3 & --1.7 & --1.0 & 1.2 \\ C$_3$H$_2$ &cyc-C$_3$H$_2$ & 3.3/3.5 & l-C$_3$H$_2$ & 4.2/4.4 & 11.1 & 11.8 & 13.7 \\ HNCO &HNCO & 2.2/2.1 & HCNO & 3.1/3.2 & 67.8 & 68.0 & 69.0 \\ C$_2$H$_3$N &CH$_3$CN & 3.9/4.0 & CH$_3$NC & 3.9/3.9 & 24.1 & 23.5 & 24.3 \\ & & & CH$_2$CNH & 1.5/1.4 & 23.5 & 22.1 & 27.1 \\ C$_2$H$_4$O &CH$_3$CHO & 2.7/2.8 & CH$_2$CHOH & 1.0/0.9 & 11.6 & 10.5 & 10.3 \\ & & & cyc-C$_2$H$_4$O & 2.0/1.9 & 30.5 & 29.2 & 27.8 \\ C$_2$H$_6$O &CH$_3$CH$_2$OH & 1.6/1.6 & CH$_3$OCH$_3$ & 1.3/1.2 & 9.9 & 10.4 & 12.0 \\ HC$_3$N &HC$_3$N & 3.8/3.9 & HC$_2$NC & 2.9/2.9 & 25.5 & 25.0 & 26.8 \\ & & & HNC$_3$ & 5.4/5/5 & 46.0 & 44.8 & 51.4 \\ C$_3$H$_2$O &HC$_2$CHO & 2.8/2.9 & cyc-H$_2$C$_3$O & 4.0/4.2 & 4.8 & 5.2 & 6.8 \\ C$_2$H$_4$O$_2$ &CH$_3$COOH & 1.6/1.7 & HCOOCH$_3$ & 1.8/1.9 & 16.0 & 16.1 & 17.1 \\ & & & HOCH$_2$CHO & 2.4/2.4 & 28.5 & 27.2 & 27.2 \\ C$_4$H$_3$N &CH$_3$-CC-CN & 5.2/5.3 & CH$_2$=C=CHCN & 4.3/4.4 & 3.0 & 2.6 & 3.8 \\ MgNC &MgNC & 5.2/5.3 & MgCN & 5.2/5.4 & 1.9 & 2.3 & 1.4 \\ SiCN &SiCN & 2.9/3.1 & SiNC & 2.6/2.7 & 1.2 & 1.3 & 1.5 \\ \hline \end{tabular} \tablefoot{The first column reports the generic formula of the molecules, ordered in increasing molecular weight. The next two columns report the most stable isomer with its dipole moment; fourth and fifth columns report the less abundant isomer(s) with the relevant dipole moment; Cols.~6 to~8 report the relative stability with respect to the most stable (Col.~2) computed using the three different methods discussed in Sect.~2. \tablefoottext{a}{Basis set: 6-311G(d,p);} \tablefoottext{b}{Basis set: cc-pVQZ;} \tablefoottext{c}{basis set: cc-pVQZ.}} \end{table}