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I'm trying to draw an MO diagram for CH2 by mimicking this MO diagram (excluding the orbital images), but things don't look like the way I want it to be. I really want to make it nice and similar to the image, but what I'm doing right now just seems sad and would really appreciate it if someone can help me.

enter image description here

I tried using MOdiagram package, but needs A LOT of work on it, especially with the overall size of the diagram because it is too small when I typeset. So, it would be really nice if someone can help me. Please and thank you.

\documentclass{article}
\usepackage{modiagram}
\usepackage[version=4]{mhchem}
\begin{document}

\begin{MOdiagram}[labels-fs=\scriptsize]
        \AO(1cm){s}[label={2s}]{0.5;}
        \AO(-0.4cm){p}[label={2p}]{2;}
        \node at (1cm, -1){C};
        %%%%%%%%%%%%%%%%%%%%%%%
        \AO(3cm){s}[label={$2\mathrm{a}_1$}]{0;pair}
        \AO(3cm){s}[label={1e}]{0.9;pair} 
        \AO(3cm){s}{1.1;pair} 
        \AO(3cm){s}[label={$3\mathrm{a}_1$}]{2;pair}
        \AO(3cm){s}[label={$4\mathrm{a}_1$}]{3;}
        \AO(3cm){s}[label={2e}]{3.9;}
        \AO(3cm){s}{4.1;}
        \node at (3cm, -1){\ce{CH_2}};
        %%%%%%%%%%%%%%%%%%%%%%%
        \AO(5cm){s}[label={1s}]{2.5;}
        \node at (5cm, -1){H};
\end{MOdiagram}


\end{document}
  • 2
    Most likely \documentcalss{article} should be \documentclass{article}. And if I correct this, I get errors on my machine. Most likely you are not to blame for them but I am wondering which TeX installation you are using. – user121799 Mar 3 at 0:52
  • @marmot Sorry for that. I tried fixing some details of it. See if the copy and paste works now, when you typeset. Please and thank you. – Dave2343 Mar 3 at 2:12
  • Thanks for updating you MWE! Unfortunately I run into the issue tex.stackexchange.com/q/474476/121799 . (Anybody else having the same problem?) – user121799 Mar 3 at 2:24
  • Try adding the package \usepackage[version=4]{mhchem} It should do the trick. @marmot – Dave2343 Mar 3 at 2:58
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I haven't used MOdiagram before, but as you tagged the question , here is a (simple) pure TikZ solution.

I am not even using a chemistry package and writing BeH2 as BeH$_2$ :) but you really should change that in your document.

\documentclass[tikz,margin=3mm]{standalone}
\begin{document}
\begin{tikzpicture}
\draw[dotted] (-3,0)--(-.3,3)--(.3,3)--(4,-1)--(.3,-4.5)--(-.3,-4.5)--cycle;
\draw[dotted] (-3,-1.5)--(-.3,1.5)--(.3,1.5)--(4,-2)--(.3,-6.5)--(-.3,-6.5)--cycle;
\draw[thick] (-.3,3)--(.3,3) (-.3,1.5)--(.3,1.5) (-.8,0)--(-.2,0) (.2,0)--(.8,0) (-.3,-4.5)--(.3,-4.5) (-.3,-6.5)--(.3,-6.5) (-3,0)--(-3.6,0) node[midway,below] {$2p_z$} (-3.8,0)--(-4.4,0) node[midway,below] {$2p_y$} (-4.6,0)--(-5.2,0) node[midway,below] {$2p_x$} (-3,-1.5)--(-3.6,-1.5) node[midway,below] {$2s$} (4,-2)--(4.6,-2) node[midway,below] {$\Phi_\mathrm g$} (4,-1)--(4.6,-1) node[midway,below] {$\Phi_\mathrm u$};
\draw[dotted] (-4.6,0)--(1.9,0);
\draw (0,0) node[below] {$\pi_\mathrm u^\mathrm n$};
\draw (0,.75) node {$\sigma^*_\mathrm g$};
\draw (0,2.25) node {$\sigma^*_\mathrm u$};
\draw (0,-5.5) node {$\sigma_\mathrm u$};
\draw (0,-4.5) node {\rotatebox{90}{$\rightleftharpoons$}};
\draw (0,-6.5) node {\rotatebox{90}{$\rightleftharpoons$}};
\draw (0,-7) node {$\sigma_\mathrm g$};
\draw (-4.2,4) node {Be};
\draw (0,4) node {BeH$_2$};
\draw (4.2,4) node {2 H (\textsc{salc}s)};
\end{tikzpicture}
\end{document}

enter image description here

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