{"isotopologue": {"inchikey": "VRLIPUYDFBXWCH-UHFFFAOYSA-N", "mass_in_Da": 13.007825, "point_group": "Cs", "iso_formula": "(12C)(1H)", "iso_slug": "12C-1H"}, "atoms": {"number_of_atoms": 2, "element": {"C": 12, "H": 1}}, "irreducible_representations": {"Sigma+": "2", "Sigma-": "2"}, "dataset": {"name": "Villanueva", "version": 20190214, "doi": "", "max_temperature": 8000.0, "n_L_default": 0.5, "num_pressure_broadeners": 0, "nxsec_files": 0, "nkcoeff_files": 0, "dipole_available": false, "cooling_function_available": false, "specific_heat_available": null, "continuum": null, "predis": null, "states": {"number_of_states": 2526, "max_energy": null, "uncertainty_description": null, "uncertainties_available": null, "lifetime_available": false, "lande_g_available": false, "num_quanta": 5, "states_file_fields": [{"name": "StateID", "desc": "Unique integer identifier for the energy level", "ffmt": "I12", "cfmt": "%12d"}, {"name": "E", "desc": "State energy in cm-1", "ffmt": "F12.6", "cfmt": "%12.6f"}, {"name": "g_tot", "desc": "Total energy level degeneracy", "ffmt": "I6", "cfmt": "%6d"}, {"name": "J", "desc": "Total rotational quantum number, excluding nuclear spin", "ffmt": "I7/F7.1", "cfmt": "%7d/%7.1f"}, {"name": "hundb:v", "ffmt": "I3", "cfmt": "%3d", "desc": "State vibrational quantum number"}, {"name": "hundb:N", "ffmt": "I3", "cfmt": "%3d", "desc": "N quantum number"}, {"name": "hundb:Omega", "ffmt": "I3", "cfmt": "%3d", "desc": "Projection of total electromic angular momentum"}, {"name": "hundb:e/f", "ffmt": "A3", "cfmt": "%3s", "desc": "Rotationless-parity"}, {"name": "hundb:electronic_state", "ffmt": "A12", "cfmt": "%12s", "desc": "Electromic state"}]}, "transitions": {"number_of_transitions": 53079, "number_of_transition_files": 1, "max_wavenumber": 39140.274477}}, "partition_function": {"max_partition_function_temperature": 8000.0, "partition_function_step_size": 1.0}, "broad": {"default_Lorentzian_half-width": 0.07, "default_temperature_exponent": 0.5}}