{
    "isotopologue": {
        "iso_formula": "(1H)(10B)(16O)",
        "iso_slug": "1H-10B-16O",
        "inchi": "InChI=1S/BHO/c1-2/h1H/i1-1H,2+0",
        "inchikey": "UXUFOKFTFHRQTE-DGVCANLMSA-N",
        "mass_in_Da": 27.01567665,
        "point_group": "CsM"
    },
    "atoms": {
        "number_of_atoms": 3,
        "element": {
            "H": 1,
            "B": 10,
            "O": 16
        }
    },
    "irreducible_representations": {
        "A'": 1,
        "A\"": 1
    },
    "dataset": {
        "name": "LQL",
        "version": 20240522,
        "doi": "10.1039/D3CP05997A",
        "max_temperature": 3000.0,
        "num_pressure_broadeners": 0,
        "cooling_function_available": false,
        "specific_heat_available": false,
        "continuum": false,
        "states": {
            "number_of_states": 411255,
            "max_energy": 23774.786069,
            "hyperfine_resolved_dataset": false,
            "uncertainty_description": null,
            "uncertainties_available": true,
            "lifetime_available": false,
            "lande_g_available": false,
            "quantum_case_label": "lpcs",
            "num_quanta": 10,
            "num_quantum_types": 2,
            "states_file_fields": [
                {
                    "name": "ID",
                    "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": "gtot",
                    "desc": "Total energy level degeneracy",
                    "ffmt": "I6",
                    "cfmt": "%6d"
                },
                {
                    "name": "J",
                    "desc": "Total rotational quantum number, excluding nuclear spin",
                    "ffmt": "I7",
                    "cfmt": "%7d"
                },
                {
                    "name": "unc",
                    "desc": "Energy uncertainty in cm-1",
                    "ffmt": "F12.6",
                    "cfmt": "%12.6f"
                },
                {
                    "name": "Grve",
                    "ffmt": "A3",
                    "cfmt": "%3s",
                    "desc": "Total (rovibronic) symmetry"
                },
                {
                    "name": "Herzberg:v1",
                    "ffmt": "I2",
                    "cfmt": "%2d",
                    "desc": "Symmetric stretching v1 mode vibrational quantum number"
                },
                {
                    "name": "Herzberg:v2lin",
                    "ffmt": "I2",
                    "cfmt": "%2d",
                    "desc": "Linear molecule bending v2 mode vibrational quantum number"
                },
                {
                    "name": "Herzberg:v3",
                    "ffmt": "I2",
                    "cfmt": "%2d",
                    "desc": "Antisymmetric stretching v3 mode vibrational quantum number"
                },
                {
                    "name": "Herzberg:L",
                    "ffmt": "I3",
                    "cfmt": "%3d",
                    "desc": "Vibrational angular momentum quantum number L = |l| associated with v2 mode"
                },
                {
                    "name": "TROVE:Coef",
                    "ffmt": "F5.2",
                    "cfmt": "%5.2f",
                    "desc": "Coefficient with the largest contribution"
                },
                {
                    "name": "TROVE:n1",
                    "ffmt": "I2",
                    "cfmt": "%2d",
                    "desc": "TROVE vibrational quantum numbers"
                },
                {
                    "name": "TROVE:n2",
                    "ffmt": "I2",
                    "cfmt": "%2d",
                    "desc": "TROVE vibrational quantum numbers"
                },
                {
                    "name": "TROVE:n3",
                    "ffmt": "I2",
                    "cfmt": "%2d",
                    "desc": "TROVE vibrational quantum numbers"
                },
                {
                    "name": "TROVE:n4",
                    "ffmt": "I2",
                    "cfmt": "%2d",
                    "desc": "TROVE vibrational quantum numbers"
                },
                {
                    "name": "Auxiliary:SourceType",
                    "ffmt": "A2",
                    "cfmt": "%2s",
                    "desc": "Ma=MARVEL,Ca=Calculated,EH=Effective Hamiltonian,IE=Isotopologue extrapolation"
                },
                {
                    "name": "Auxiliary:Ecal",
                    "ffmt": "F12.6",
                    "cfmt": "%12.6f",
                    "desc": "Calculated energy in cm-1"
                }
            ]
        },
        "transitions": {
            "number_of_transitions": 76905951,
            "number_of_transition_files": 1,
            "max_wavenumber": 8999.999842
        }
    },
    "partition_function": {
        "max_partition_function_temperature": 3000.0,
        "partition_function_step_size": 1.0
    },
    "broad": {
        "default_Lorentzian_half-width": 0.07,
        "default_temperature_exponent": 0.5
    }
}