Use $ams2026

Do O-O bond scans for benzoyl peroxide smiles: c1ccc(cc1)C(=O)OOC(=O)c2ccccc2

Find out which bond is the O-O bond by looping over the atoms and inspecting
the ChemicalSystem bonds

Set up a AMS PES Scan with MLPotential Model UMA-S-1.2-Omol. Run three
equivalent jobs with three different values for spinpolarization: 0, 1,
and 2. Run the bond scan until dissociation (distance 3 angstrom, with
approximately 0.1 angstrom steps)

Plot the energy vs bond length in all three cases (get_pesscan_results)

Include the graph in the report.

Include pictures of structures for the lowest-energy bonded state and
the lowest-energy dissociated state (and indicate the corresponding spin
polarization).