{
    "isotopologue": {
        "iso_formula": "(23Na)(16O)",
        "iso_slug": "23Na-16O",
        "inchi": "InChI=1S/Na.O/i2*1+0",
        "inchikey": "IVAOQJNBYYIDSI-MHGBRSHDSA-N",
        "mass_in_Da": 38.9846839,
        "point_group": "Cs"
    },
    "atoms": {
        "number_of_atoms": 2,
        "element": {
            "Na": 23,
            "O": 16
        }
    },
    "irreducible_representations": {
        "Sigma+": 8,
        "Sigma-": 8
    },
    "dataset": {
        "name": "NaOUCMe",
        "version": 20211117,
        "doi": "10.5281/zenodo.5910816",
        "max_temperature": 2500.0,
        "num_pressure_broadeners": 0,
        "cooling_function_available": false,
        "specific_heat_available": true,
        "continuum": false,
        "states": {
            "number_of_states": 36120,
            "max_energy": null,
            "hyperfine_resolved_dataset": false,
            "uncertainty_description": null,
            "uncertainties_available": true,
            "lifetime_available": true,
            "lande_g_available": true,
            "quantum_case_label": "dos",
            "num_quanta": 7,
            "num_quantum_types": 1,
            "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": "F7.1",
                    "cfmt": "%7.1f"
                },
                {
                    "name": "unc",
                    "desc": "Energy uncertainty in cm-1",
                    "ffmt": "F12.6",
                    "cfmt": "%12.6f"
                },
                {
                    "name": "tau",
                    "desc": "Lifetime in s",
                    "ffmt": "ES12.4",
                    "cfmt": "%12.4e"
                },
                {
                    "name": "gfactor",
                    "desc": "Lande g-factor",
                    "ffmt": "F10.6",
                    "cfmt": "%10.6f"
                },
                {
                    "name": "+/-",
                    "ffmt": "A1",
                    "cfmt": "%1s",
                    "desc": "Total parity: '+' or '-'"
                },
                {
                    "name": "e/f",
                    "ffmt": "A1",
                    "cfmt": "%1s",
                    "desc": "Rotationless-parity"
                },
                {
                    "name": "ElecState",
                    "ffmt": "A12",
                    "cfmt": "%12s",
                    "desc": "Electronic state"
                },
                {
                    "name": "v",
                    "ffmt": "I3",
                    "cfmt": "%3d",
                    "desc": "Vibrational quantum number"
                },
                {
                    "name": "hunda:Lambda",
                    "ffmt": "I5",
                    "cfmt": "%5d",
                    "desc": "Projection of electronic angular momentum"
                },
                {
                    "name": "hunda:Sigma",
                    "ffmt": "I5",
                    "cfmt": "%5d",
                    "desc": "Projection of the electronic spin"
                },
                {
                    "name": "hunda:Omega",
                    "ffmt": "I5",
                    "cfmt": "%5d",
                    "desc": "Omega = Lambda + Sigma, projection of total angular momentum"
                }
            ]
        },
        "transitions": {
            "number_of_transitions": 4726283,
            "number_of_transition_files": 1,
            "max_wavenumber": 24596.94
        }
    },
    "partition_function": {
        "max_partition_function_temperature": 2500.0,
        "partition_function_step_size": 1.0
    },
    "broad": {
        "default_Lorentzian_half-width": 0.07,
        "default_temperature_exponent": 0.5
    }
}