Note: in Ubuntu turn off Visual Effects or the molecule window will not display correctly

always start with new – I get inconsistent results when 

        I change the current molecule and try to re-calculate

Click the periodic table button and select an element

Make sure the Draw (Pencil) Icon is selected, then click in the molecule window to add an atom

Click the Setup (MM) button (or right click in the molecule window)   select Compute, Setup 

Select the “all QM” tab

set charge

select Engine Class – you need to use one of the MPQC methods 

(the others will give the energy as zero)

click OK

Right click in window – select: Compute – Energy

The energy will be displayed in the text panel below the molecule window

I don’t know how to interpret the resulting numbers.  I tried methane and the result did not match the “textbook” number.  I don’t know how good the results will be for metal ions.