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Relevant frontier MOs at scalar-relativistic (SR) level and their mixing to two-component spinors responsible for the overall differences in the 1H hydride shifts of (C^N^C)AuH (left) and (C^C^N)AuH (right). Only one of two degenerate spinors is shown. The corresponding MOs are shown as isosurface plots (0.03 au), with the hydride ligand generally being placed at the bottom. The mixing percentage of SR MOs in spinors is indicated above the corresponding SR MOs.
