Supporting files for manuscript: Effect of the coordination environment on the ability of iron to bind/activate N2: relevance to the nitrogenase mechanism

<p>Supporting files for manuscript &#39;<strong>Effect of the coordination environment on the ability of iron to bind/activate N₂: relevance to the nitrogenase mechanism&#39;:&nbsp;&nbsp;</strong>input files, optimized structures, checkpoint files usable for molecular orbital diagrams.</p>