Multiwfn forum

Hello,
    I am trying to follow example 4.5.5 to plot the electron density difference. I have an oxide material, say A-O2. I have this material optimized, and using the molden file, Multiwfn gave me the wfn. I understand that I also need wfn files for the constituents; however, O2 is not the same configuration as it is in A-O2. If I remove A from the A-O2, and then optimize, then I will simply end up with O2. So, is the procedure to get a wfn for the components without optimizing? How would I get a wfn without optimizing, as the wfn is from the molden, which came from the optimization?
Thanks for your help.