\documentclass[a4paper,twocolumn]{article}
\usepackage[utf8]{inputenc}
\usepackage{booktabs}
\usepackage{array}
\usepackage{multirow}
%\usepackage[T1]{fontenc}
\usepackage[left=1cm,right=1cm,top=0.5cm,bottom=1cm]{geometry}
\usepackage{multicol}
\begin{document}
\begin{table*}
\begin{minipage}[b]{\columnwidth}
\centering
\caption{$O_2$ Basis set convergence of the Cartesian anapole susceptibility tensor computed at the UHF level.}
\begin{tabular}{lcccccc}
\toprule\toprule
Basis & \multicolumn{3}{c}{$\mathcal{A}$} & \multicolumn{3}{c}{$\mathcal{A}$} \\
\toprule
\multirow{3}{*}{STO-3G} & -15.451 & $\cdots$ & $\cdots$ & -15.438 & 0 & 0 \\
& $\cdots$ & -15.451 & $\cdots$ & 0 & -15.438 & 0 \\
& $\cdots$ & $\cdots$ & -2.692 & 0 & 0 &-2.692\\
\midrule
\multirow{3}{*}{cc-pVDZ} & -10.094 & $\cdots$ & $\cdots$ & -10.086 & 0 & 0
& $\cdots$ & -10.094 & $\cdots$ & 0 & -10.086 & 0 \\
& $\cdots$ & $\cdots$ & -2.988 & 0 & 0 &-2.692 \\
\midrule
\multirow{3}{*}{aug-cc-pVDZ} & -6.932 & $\cdots$ & $\cdots$ & -6.925 & 0 & 0 \\
& $\cdots$ & -6.932 & $\cdots$ & 0 & -6.925 & 0 \\
& $\cdots$ & $\cdots$ & -2.386 & 0 & 0 &-2.386 \\
\midrule \
\multirow{3}{*}{aug-cc-pVTZ} & -6.932 & $\cdots$ & $\cdots$ & -6.925& 0 & 0 \\
& $\cdots$ & -6.932 & $\cdots$ & 0 & -6.925 & 0 \\
& $\cdots$ & $\cdots$ & -2.386 & 0 & 0 &-2.386 \\
\midrule
\multirow{3}{*}{uaug-cc-pVQZ} & -6.932 & $\cdots$ & $\cdots$ & -6.925& 0 & 0 \\
& $\cdots$ & -6.932 & $\cdots$ & 0 & -6.925 & 0 \\
& $\cdots$ & $\cdots$ & -2.386 & 0 & 0 &-2.386 \\
\midrule
\multirow{3}{*}{LSTO-3G} & -6.932 & $\cdots$ & $\cdots$ & -6.925 & 0 & 0 \\
& $\cdots$ & -6.932 & $\cdots$ & 0 & -6.925 & 0 \\
& $\cdots$ & $\cdots$ & -2.386 & 0 & 0 &-2.386 \\
\midrule
\multirow{3}{*}{Lcc-pVDZ} & -6.932 & $\cdots$ & $\cdots$ & -6.925 & 0 & 0 \\
& $\cdots$ & -6.932 & $\cdots$ & 0 & -6.925 & 0 \\
& $\cdots$ & $\cdots$ & -2.386 & 0 & 0 &-2.386 \\
\midrule
\multirow{3}{*}{Lcc-pVTZ} & -6.932 & $\cdots$ & $\cdots$ & -6.925 & 0 & 0 \\
& $\cdots$ & -6.932 & $\cdots$ & 0 & -6.925 & 0 \\
& $\cdots$ & $\cdots$ & -2.386 & 0 & 0 &-2.386 \\
\midrule
\multirow{3}{*}{Laug-cc-pVDZ} & -6.932 & $\cdots$ & $\cdots$ & -6.925& 0 & 0 \\
& $\cdots$ & -6.932 & $\cdots$ & 0 & -6.925 & 0 \\
& $\cdots$ & $\cdots$ & -2.386 & 0 & 0 &-2.386 \\
\midrule
\multirow{3}{*}{Laug-cc-pVQZ} & -6.932 & $\cdots$ & $\cdots$ & -6.925& 0 & 0 \\
& $\cdots$ & -6.932 & $\cdots$ & 0 & -6.925 & 0 \\
& $\cdots$ & $\cdots$ & -2.386 & 0 & 0 &-2.386 \\
\bottomrule
\bottomrule
\end{tabular}
\end{minipage}
\hfill
\begin{minipage}[b]{\columnwidth}
\caption{$O_2$ Basis set convergence of the Cartesian anapole susceptibility tensor computed at the UHF level.}
\begin{tabular}
\toprule
\toprule
Basis & \multicolumn{3}{c}{$\mathcal{A}$} & \multicolumn{3}{c}{$\mathcal{A}$} \\
\toprule
\multirow{3}{*}{uSTO-3G} & -6.932 & $\cdots$ & $\cdots$ & -6.925 & 0 & 0 \\
& $\cdots$ & -6.932 & $\cdots$ & 0 & -6.925 & 0 \\
& $\cdots$ & $\cdots$ & -2.386 & 0 & 0 &-2.386 \\
\midrule
\multirow{3}{*}{ucc-pVDZ} & -6.932 & $\cdots$ & $\cdots$ & -6.925 & 0 & 0 \\
& $\cdots$ & -6.932 & $\cdots$ & 0 & -6.925 & 0 \\
& $\cdots$ & $\cdots$ & -2.386 & 0 & 0 &-2.386 \\
\midrule
\multirow{3}{*}{ucc-pVTZ} & -6.932 & $\cdots$ & $\cdots$ & -6.925 & 0 & 0 \\
& $\cdots$ & -6.932 & $\cdots$ & 0 & -6.925 & 0 \\
& $\cdots$ & $\cdots$ & -2.386 & 0 & 0 &-2.386 \\
\midrule
\multirow{3}{*}{uaug-cc-pVDZ} & -6.932 & $\cdots$ & $\cdots$ & -6.925 & 0 & 0 \\
& $\cdots$ & -6.932 & $\cdots$ & 0 & -6.925 & 0 \\
& $\cdots$ & $\cdots$ & -2.386 & 0 & 0 &-2.386 \\
\midrule
\multirow{3}{*}{uaug-cc-pVTZ} & -6.932 & $\cdots$ & $\cdots$ & -6.925 & 0 & 0 \\
& $\cdots$ & -6.932 & $\cdots$ & 0 & -6.925 & 0 \\
& $\cdots$ & $\cdots$ & -2.386 & 0 & 0 &-2.386 \\
\midrule
\multirow{3}{*}{uaug-cc-pVQZ} & -6.932 & $\cdots$ & $\cdots$ & -6.925 & 0 & 0 \\
& $\cdots$ & -6.932 & $\cdots$ & 0 & -6.925 & 0 \\
& $\cdots$ & $\cdots$ & -2.386 & 0 & 0 &-2.386 \\
\midrule
\multirow{3}{*}{LuSTO-3G} & -6.932 & $\cdots$ & $\cdots$ & -6.925 & 0 & 0 \\
& $\cdots$ & -6.932 & $\cdots$ & 0 & -6.925 & 0 \\
& $\cdots$ & $\cdots$ & -2.386 & 0 & 0 &-2.386 \\
\midrule
\multirow{3}{*}{Lucc-pVDZ} & -6.932 & $\cdots$ & $\cdots$ & -6.925 & 0 & 0 \\
& $\cdots$ & -6.932 & $\cdots$ & 0 & -6.925 & 0 \\
& $\cdots$ & $\cdots$ & -2.386 & 0 & 0 &-2.386 \\
\midrule
\multirow{3}{*}{Lucc-pVTZ} & -6.932 & $\cdots$ & $\cdots$ & -6.925 & 0 & 0 \\
& $\cdots$ & -6.932 & $\cdots$ & 0 & -6.925 & 0 \\
& $\cdots$ & $\cdots$ & -2.386 & 0 & 0 &-2.386 \\
\midrule
\multirow{3}{*}{Luaug-cc-pVDZ} & -2.400 & $\cdots$ & $\cdots$ & -6.925 & 0 & 0 \\
& $\cdots$ & -4.014 & $\cdots$ & 0 & -6.925 & 0 \\
& $\cdots$ & $\cdots$ & -2.386 & 0 & 0.484 & -2.386 \\
\midrule
\multirow{3}{*}{Luaug-cc-pVTZ} & -6.932 & $\cdots$ & $\cdots$ & -6.925 & 0 & 0 \\
& $\cdots$ & -6.932 & $\cdots$ & 0 & -6.925 & 0 \\
& $\cdots$ & $\cdots$ & -2.386 & 0 & 0.495 &-2.386 \\
\midrule
\multirow{3}{*}{Luaug-cc-pVQZ} & -2.053 & $\cdots$ & $\cdots$ & -2.054 & 0 & 0 \\
& $\cdots$ & -3.752 & $\cdots$ & 0 & -3.752 & 0 \\
& $\cdots$ & $\cdots$ & -2.352 & 0 & 0.486 &-2.353 \\
\bottomrule
\bottomrule
\end{tabular}
\end{minipage}
\end{table*}
\end{document}
答案1
以下评论无先后顺序：
第 1 个表格的第 2 行数据缺失
\\（换行符宏）\begin{tabular}第二张表开头的语句不完整/环境之间
minipage包装器和指令的使用失败。仅仅因为您将环境封装在宽度为 的范围内并不能保证或暗示环境的宽度将等于。\hfillminipagetabulartabularminipage\columnwidthtabular\columnwidth两个表格不可能放在一页上——除非你使用比
\tiny字体更小的字体，并使表格无法阅读——或者牺牲数据列中的一些数值精度。最好将tabular环境放在单独的table*环境中。可选的改进：
siunitx将六个数据列中的数字与小数点对齐。这可以通过或包的机制来完成dcolumn。\caption将指令和tabular环境包裹在threepartable环境中。这会将标题的宽度限制为相关表格类环境的宽度。不要重复
\toprule指令\bottomrule。
下面的截图显示了两个表中第一个表格的开头。
\documentclass[a4paper,twocolumn]{article}
\usepackage[utf8]{inputenc}
\usepackage[T1]{fontenc}
\usepackage{booktabs}
%%\usepackage{array}
\usepackage{multirow}
\usepackage[hmargin=1cm,top=0.5cm,bottom=1cm,includefoot]{geometry}
%%%\usepackage{multicol} % not needed
%% new:
\usepackage{siunitx} % for 'S' column type
\usepackage[flushleft]{threeparttable}
\begin{document}
\begin{table*}
%%\begin{minipage}[b]{\columnwidth}
\centering
\begin{threeparttable}
\caption{$O_2$ Basis set convergence of the Cartesian anapole susceptibility tensor computed at the UHF level.}
\begin{tabular}{@{} l *{2}{*{2}{S[table-format=-2.3]}S[table-format=-1.3]} @{}}
\toprule
%\toprule
Basis & \multicolumn{3}{c}{$\mathcal{A}$}
& \multicolumn{3}{c@{}}{$\mathcal{A}$} \\
\midrule
\multirow{3}{*}{STO-3G} & -15.451 & {$\cdots$} & {$\cdots$} & -15.438 & 0 & 0 \\
& {$\cdots$} & -15.451 & {$\cdots$} & 0 & -15.438 & 0 \\
& {$\cdots$} & {$\cdots$} & -2.692 & 0 & 0 &-2.692\\
\midrule
\multirow{3}{*}{cc-pVDZ} & -10.094 & {$\cdots$} & {$\cdots$} & -10.086 & 0 & 0 \\ %%%%% <-- missing linebreak
& {$\cdots$} & -10.094 & {$\cdots$} & 0 & -10.086 & 0 \\
& {$\cdots$} & {$\cdots$} & -2.988 & 0 & 0 &-2.692 \\
\midrule
\multirow{3}{*}{aug-cc-pVDZ} & -6.932 & {$\cdots$} & {$\cdots$} & -6.925 & 0 & 0 \\
& {$\cdots$} & -6.932 & {$\cdots$} & 0 & -6.925 & 0 \\
& {$\cdots$} & {$\cdots$} & -2.386 & 0 & 0 &-2.386 \\
\midrule \
\multirow{3}{*}{aug-cc-pVTZ} & -6.932 & {$\cdots$} & {$\cdots$} & -6.925 & 0 & 0 \\
& {$\cdots$} & -6.932 & {$\cdots$} & 0 & -6.925 & 0 \\
& {$\cdots$} & {$\cdots$} & -2.386 & 0 & 0 &-2.386 \\
\midrule
\multirow{3}{*}{uaug-cc-pVQZ} & -6.932 & {$\cdots$} & {$\cdots$} & -6.925& 0 & 0 \\
& {$\cdots$} & -6.932 & {$\cdots$} & 0 & -6.925 & 0 \\
& {$\cdots$} & {$\cdots$} & -2.386 & 0 & 0 &-2.386 \\
\midrule
\multirow{3}{*}{LSTO-3G} & -6.932 & {$\cdots$} & {$\cdots$} & -6.925 & 0 & 0 \\
& {$\cdots$} & -6.932 & {$\cdots$} & 0 & -6.925 & 0 \\
& {$\cdots$} & {$\cdots$} & -2.386 & 0 & 0 &-2.386 \\
\midrule
\multirow{3}{*}{Lcc-pVDZ} & -6.932 & {$\cdots$} & {$\cdots$} & -6.925 & 0 & 0 \\
& {$\cdots$} & -6.932 & {$\cdots$} & 0 & -6.925 & 0 \\
& {$\cdots$} & {$\cdots$} & -2.386 & 0 & 0 &-2.386 \\
\midrule
\multirow{3}{*}{Lcc-pVTZ} & -6.932 & {$\cdots$} & {$\cdots$} & -6.925 & 0 & 0 \\
& {$\cdots$} & -6.932 & {$\cdots$} & 0 & -6.925 & 0 \\
& {$\cdots$} & {$\cdots$} & -2.386 & 0 & 0 &-2.386 \\
\midrule
\multirow{3}{*}{Laug-cc-pVDZ} & -6.932 & {$\cdots$} & {$\cdots$} & -6.925 & 0 & 0 \\
& {$\cdots$} & -6.932 & {$\cdots$} & 0 & -6.925 & 0 \\
& {$\cdots$} & {$\cdots$} & -2.386 & 0 & 0 &-2.386 \\
\midrule
\multirow{3}{*}{Laug-cc-pVQZ} & -6.932 & {$\cdots$} & {$\cdots$} & -6.925 & 0 & 0 \\
& {$\cdots$} & -6.932 & {$\cdots$} & 0 & -6.925 & 0 \\
& {$\cdots$} & {$\cdots$} & -2.386 & 0 & 0 &-2.386 \\
\bottomrule
%%\bottomrule
\end{tabular}
\end{threeparttable}
%%\end{minipage}
\end{table*}
\begin{table*}
\centering
%%\begin{minipage}[b]{\columnwidth}
\begin{threeparttable}
\caption{$O_2$ Basis set convergence of the Cartesian anapole susceptibility tensor computed at the UHF level.}
%% \begin{tabular}
\begin{tabular}{@{} l *{6}{S[table-format=-1.3]} @{}}
\toprule
%%\toprule
Basis & \multicolumn{3}{c}{$\mathcal{A}$}
& \multicolumn{3}{c@{}}{$\mathcal{A}$} \\
\midrule % not \toprule
\multirow{3}{*}{uSTO-3G} & -6.932 & {$\cdots$} & {$\cdots$} & -6.925 & 0 & 0 \\
& {$\cdots$} & -6.932 & {$\cdots$} & 0 & -6.925 & 0 \\
& {$\cdots$} & {$\cdots$} & -2.386 & 0 & 0 &-2.386 \\
\midrule
\multirow{3}{*}{ucc-pVDZ} & -6.932 & {$\cdots$} & {$\cdots$} & -6.925 & 0 & 0 \\
& {$\cdots$} & -6.932 & {$\cdots$} & 0 & -6.925 & 0 \\
& {$\cdots$} & {$\cdots$} & -2.386 & 0 & 0 &-2.386 \\
\midrule
\multirow{3}{*}{ucc-pVTZ} & -6.932 & {$\cdots$} & {$\cdots$} & -6.925 & 0 & 0 \\
& {$\cdots$} & -6.932 & {$\cdots$} & 0 & -6.925 & 0 \\
& {$\cdots$} & {$\cdots$} & -2.386 & 0 & 0 &-2.386 \\
\midrule
\multirow{3}{*}{uaug-cc-pVDZ} & -6.932 & {$\cdots$} & {$\cdots$} & -6.925 & 0 & 0 \\
& {$\cdots$} & -6.932 & {$\cdots$} & 0 & -6.925 & 0 \\
& {$\cdots$} & {$\cdots$} & -2.386 & 0 & 0 &-2.386 \\
\midrule
\multirow{3}{*}{uaug-cc-pVTZ} & -6.932 & {$\cdots$} & {$\cdots$} & -6.925 & 0 & 0 \\
& {$\cdots$} & -6.932 & {$\cdots$} & 0 & -6.925 & 0 \\
& {$\cdots$} & {$\cdots$} & -2.386 & 0 & 0 &-2.386 \\
\midrule
\multirow{3}{*}{uaug-cc-pVQZ} & -6.932 & {$\cdots$} & {$\cdots$} & -6.925 & 0 & 0 \\
& {$\cdots$} & -6.932 & {$\cdots$} & 0 & -6.925 & 0 \\
& {$\cdots$} & {$\cdots$} & -2.386 & 0 & 0 &-2.386 \\
\midrule
\multirow{3}{*}{LuSTO-3G} & -6.932 & {$\cdots$} & {$\cdots$} & -6.925 & 0 & 0 \\
& {$\cdots$} & -6.932 & {$\cdots$} & 0 & -6.925 & 0 \\
& {$\cdots$} & {$\cdots$} & -2.386 & 0 & 0 &-2.386 \\
\midrule
\multirow{3}{*}{Lucc-pVDZ} & -6.932 & {$\cdots$} & {$\cdots$} & -6.925 & 0 & 0 \\
& {$\cdots$} & -6.932 & {$\cdots$} & 0 & -6.925 & 0 \\
& {$\cdots$} & {$\cdots$} & -2.386 & 0 & 0 &-2.386 \\
\midrule
\multirow{3}{*}{Lucc-pVTZ} & -6.932 & {$\cdots$} & {$\cdots$} & -6.925 & 0 & 0 \\
& {$\cdots$} & -6.932 & {$\cdots$} & 0 & -6.925 & 0 \\
& {$\cdots$} & {$\cdots$} & -2.386 & 0 & 0 &-2.386 \\
\midrule
\multirow{3}{*}{Luaug-cc-pVDZ} & -2.400 & {$\cdots$} & {$\cdots$} & -6.925 & 0 & 0 \\
& {$\cdots$} & -4.014 & {$\cdots$} & 0 & -6.925 & 0 \\
& {$\cdots$} & {$\cdots$} & -2.386 & 0 & 0.484 & -2.386 \\
\midrule
\multirow{3}{*}{Luaug-cc-pVTZ} & -6.932 & {$\cdots$} & {$\cdots$} & -6.925 & 0 & 0 \\
& {$\cdots$} & -6.932 & {$\cdots$} & 0 & -6.925 & 0 \\
& {$\cdots$} & {$\cdots$} & -2.386 & 0 & 0.495 &-2.386 \\
\midrule
\multirow{3}{*}{Luaug-cc-pVQZ} & -2.053 & {$\cdots$} & {$\cdots$} & -2.054 & 0 & 0 \\
& {$\cdots$} & -3.752 & {$\cdots$} & 0 & -3.752 & 0 \\
& {$\cdots$} & {$\cdots$} & -2.352 & 0 & 0.486 &-2.353 \\
\bottomrule
%%\bottomrule
\end{tabular}
\end{threeparttable}
%%\end{minipage}
\end{table*}
\end{document}
附录：如果您愿意对所有数据列中的数字进行四舍五入，使它们显示 2 位而不是 3 位小数，那么事实证明，由于您指定的页边距非常窄，因此可以将两个表格放在一起，但这只是有可能的。顺便说一句，由于您使用的是环境table*，并且总可用宽度等于\textwidth，所以我将环境的宽度表示minipage为的分数\textwidth，而不是\columnwidth。
\documentclass[a4paper,twocolumn]{article}
%% \usepackage[utf8]{inputenc} % that's the default nowadays
\usepackage[T1]{fontenc}
\usepackage{booktabs}
%%\usepackage{array}
\usepackage{multirow}
\usepackage[hmargin=1cm,top=0.5cm,bottom=1cm,includefoot]{geometry}
%%%\usepackage{multicol} % not needed
%% new:
\usepackage{siunitx} % for 'S' column
\begin{document}
\begin{table*}
\setlength\tabcolsep{0pt} % let LaTeX figure out intercol. whitespace
\sisetup{round-mode=places,round-precision=2} % enable automatic rounding
\begin{minipage}[t]{0.485\textwidth}
\caption{$O_2$ Basis set convergence of the Cartesian anapole susceptibility tensor computed at the UHF level.}
\begin{tabular*}{\linewidth}{@{\extracolsep{\fill}} l *{6}{S[table-format=-1.2]} }
\toprule
%\toprule
Basis & \multicolumn{3}{c}{$\mathcal{A}$}
& \multicolumn{3}{c@{}}{$\mathcal{A}$} \\
\midrule
\multirow{3}{*}{STO-3G} & -15.451 & {$\cdots$} & {$\cdots$} & -15.438 & 0 & 0 \\
& {$\cdots$} & -15.451 & {$\cdots$} & 0 & -15.438 & 0 \\
& {$\cdots$} & {$\cdots$} & -2.692 & 0 & 0 &-2.692\\
\midrule
\multirow{3}{*}{cc-pVDZ} & -10.094 & {$\cdots$} & {$\cdots$} & -10.086 & 0 & 0 \\ %%%%% <-- missing linebreak
& {$\cdots$} & -10.094 & {$\cdots$} & 0 & -10.086 & 0 \\
& {$\cdots$} & {$\cdots$} & -2.988 & 0 & 0 &-2.692 \\
\midrule
\multirow{3}{*}{aug-cc-pVDZ} & -6.932 & {$\cdots$} & {$\cdots$} & -6.925 & 0 & 0 \\
& {$\cdots$} & -6.932 & {$\cdots$} & 0 & -6.925 & 0 \\
& {$\cdots$} & {$\cdots$} & -2.386 & 0 & 0 &-2.386 \\
\midrule \
\multirow{3}{*}{aug-cc-pVTZ} & -6.932 & {$\cdots$} & {$\cdots$} & -6.925 & 0 & 0 \\
& {$\cdots$} & -6.932 & {$\cdots$} & 0 & -6.925 & 0 \\
& {$\cdots$} & {$\cdots$} & -2.386 & 0 & 0 &-2.386 \\
\midrule
\multirow{3}{*}{uaug-cc-pVQZ} & -6.932 & {$\cdots$} & {$\cdots$} & -6.925& 0 & 0 \\
& {$\cdots$} & -6.932 & {$\cdots$} & 0 & -6.925 & 0 \\
& {$\cdots$} & {$\cdots$} & -2.386 & 0 & 0 &-2.386 \\
\midrule
\multirow{3}{*}{LSTO-3G} & -6.932 & {$\cdots$} & {$\cdots$} & -6.925 & 0 & 0 \\
& {$\cdots$} & -6.932 & {$\cdots$} & 0 & -6.925 & 0 \\
& {$\cdots$} & {$\cdots$} & -2.386 & 0 & 0 &-2.386 \\
\midrule
\multirow{3}{*}{Lcc-pVDZ} & -6.932 & {$\cdots$} & {$\cdots$} & -6.925 & 0 & 0 \\
& {$\cdots$} & -6.932 & {$\cdots$} & 0 & -6.925 & 0 \\
& {$\cdots$} & {$\cdots$} & -2.386 & 0 & 0 &-2.386 \\
\midrule
\multirow{3}{*}{Lcc-pVTZ} & -6.932 & {$\cdots$} & {$\cdots$} & -6.925 & 0 & 0 \\
& {$\cdots$} & -6.932 & {$\cdots$} & 0 & -6.925 & 0 \\
& {$\cdots$} & {$\cdots$} & -2.386 & 0 & 0 &-2.386 \\
\midrule
\multirow{3}{*}{Laug-cc-pVDZ} & -6.932 & {$\cdots$} & {$\cdots$} & -6.925 & 0 & 0 \\
& {$\cdots$} & -6.932 & {$\cdots$} & 0 & -6.925 & 0 \\
& {$\cdots$} & {$\cdots$} & -2.386 & 0 & 0 &-2.386 \\
\midrule
\multirow{3}{*}{Laug-cc-pVQZ} & -6.932 & {$\cdots$} & {$\cdots$} & -6.925 & 0 & 0 \\
& {$\cdots$} & -6.932 & {$\cdots$} & 0 & -6.925 & 0 \\
& {$\cdots$} & {$\cdots$} & -2.386 & 0 & 0 &-2.386 \\
\bottomrule
%%\bottomrule
\end{tabular*}
\end{minipage}%
\hfill
\begin{minipage}[t]{0.485\textwidth}
\caption{$O_2$ Basis set convergence of the Cartesian anapole susceptibility tensor computed at the UHF level.}
\begin{tabular*}{\linewidth}{@{\extracolsep{\fill}} l *{6}{S[table-format=-1.2]} }
\toprule
Basis & \multicolumn{3}{c}{$\mathcal{A}$}
& \multicolumn{3}{c@{}}{$\mathcal{A}$} \\
\midrule % not \toprule
\multirow{3}{*}{uSTO-3G} & -6.932 & {$\cdots$} & {$\cdots$} & -6.925 & 0 & 0 \\
& {$\cdots$} & -6.932 & {$\cdots$} & 0 & -6.925 & 0 \\
& {$\cdots$} & {$\cdots$} & -2.386 & 0 & 0 &-2.386 \\
\midrule
\multirow{3}{*}{ucc-pVDZ} & -6.932 & {$\cdots$} & {$\cdots$} & -6.925 & 0 & 0 \\
& {$\cdots$} & -6.932 & {$\cdots$} & 0 & -6.925 & 0 \\
& {$\cdots$} & {$\cdots$} & -2.386 & 0 & 0 &-2.386 \\
\midrule
\multirow{3}{*}{ucc-pVTZ} & -6.932 & {$\cdots$} & {$\cdots$} & -6.925 & 0 & 0 \\
& {$\cdots$} & -6.932 & {$\cdots$} & 0 & -6.925 & 0 \\
& {$\cdots$} & {$\cdots$} & -2.386 & 0 & 0 &-2.386 \\
\midrule
\multirow{3}{*}{uaug-cc-pVDZ} & -6.932 & {$\cdots$} & {$\cdots$} & -6.925 & 0 & 0 \\
& {$\cdots$} & -6.932 & {$\cdots$} & 0 & -6.925 & 0 \\
& {$\cdots$} & {$\cdots$} & -2.386 & 0 & 0 &-2.386 \\
\midrule
\multirow{3}{*}{uaug-cc-pVTZ} & -6.932 & {$\cdots$} & {$\cdots$} & -6.925 & 0 & 0 \\
& {$\cdots$} & -6.932 & {$\cdots$} & 0 & -6.925 & 0 \\
& {$\cdots$} & {$\cdots$} & -2.386 & 0 & 0 &-2.386 \\
\midrule
\multirow{3}{*}{uaug-cc-pVQZ} & -6.932 & {$\cdots$} & {$\cdots$} & -6.925 & 0 & 0 \\
& {$\cdots$} & -6.932 & {$\cdots$} & 0 & -6.925 & 0 \\
& {$\cdots$} & {$\cdots$} & -2.386 & 0 & 0 &-2.386 \\
\midrule
\multirow{3}{*}{LuSTO-3G} & -6.932 & {$\cdots$} & {$\cdots$} & -6.925 & 0 & 0 \\
& {$\cdots$} & -6.932 & {$\cdots$} & 0 & -6.925 & 0 \\
& {$\cdots$} & {$\cdots$} & -2.386 & 0 & 0 &-2.386 \\
\midrule
\multirow{3}{*}{Lucc-pVDZ} & -6.932 & {$\cdots$} & {$\cdots$} & -6.925 & 0 & 0 \\
& {$\cdots$} & -6.932 & {$\cdots$} & 0 & -6.925 & 0 \\
& {$\cdots$} & {$\cdots$} & -2.386 & 0 & 0 &-2.386 \\
\midrule
\multirow{3}{*}{Lucc-pVTZ} & -6.932 & {$\cdots$} & {$\cdots$} & -6.925 & 0 & 0 \\
& {$\cdots$} & -6.932 & {$\cdots$} & 0 & -6.925 & 0 \\
& {$\cdots$} & {$\cdots$} & -2.386 & 0 & 0 &-2.386 \\
\midrule
\multirow{3}{*}{Luaug-cc-pVDZ} & -2.400 & {$\cdots$} & {$\cdots$} & -6.925 & 0 & 0 \\
& {$\cdots$} & -4.014 & {$\cdots$} & 0 & -6.925 & 0 \\
& {$\cdots$} & {$\cdots$} & -2.386 & 0 & 0.484 & -2.386 \\
\midrule
\multirow{3}{*}{Luaug-cc-pVTZ} & -6.932 & {$\cdots$} & {$\cdots$} & -6.925 & 0 & 0 \\
& {$\cdots$} & -6.932 & {$\cdots$} & 0 & -6.925 & 0 \\
& {$\cdots$} & {$\cdots$} & -2.386 & 0 & 0.495 &-2.386 \\
\midrule
\multirow{3}{*}{Luaug-cc-pVQZ} & -2.053 & {$\cdots$} & {$\cdots$} & -2.054 & 0 & 0 \\
& {$\cdots$} & -3.752 & {$\cdots$} & 0 & -3.752 & 0 \\
& {$\cdots$} & {$\cdots$} & -2.352 & 0 & 0.486 &-2.353 \\
\bottomrule
\end{tabular*}
\end{minipage}
\end{table*}
\end{document}