Building, optimizing and displaying the Lone Pair in SF₄ using Mopac

Build SF₄ using the procedure used for BF₃. In the Build Options dialog set the Atom Type to S and select square planar geometry and OK.
 

Select each H atom in turn and using Atom Type F and monovalent geometry generate square planar SF₄.

Run Mopac to optimize the structure using the procedure used for BF₃. The geometry should now be as shown.


To "see" the lone pair on S as predicted by VSEPRT do the following. On the Mopac menu click Properties / Plot MO.
and select simple outline on dialog11 and Click OK.



Click OK on dialog9 and a simple outline MO plot will appear

To get a more elaborate plot requires use Chimera to open jobname_mo.pdb and the mo_017.cub files

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