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6395f35 | 1 2 3 4 5 6 7 8 9 | {
"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
}
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