{ "problem_id": "CHEM3", "total_pi_energy_beta": 19.84337, "delocalization_energy_beta": 5.09595, "somo_huckel_gap_to_lumo_beta": 0.56409, "unpaired_spin_density_alpha_ch": 0.166667, "bond_order_c1_c2": 0.6647 }