{
    "isotopologue": {
        "iso_formula": "(12C)(1H)3(35Cl)",
        "iso_slug": "12C-1H3-35Cl",
        "inchi": "InChI=1S/CH3Cl/c1-2/h1H3",
        "inchikey": "NEHMKBQYUWJMIP-UHFFFAOYSA-N",
        "cas_registry_number": "74-87-3",
        "mass_in_Da": 49.99232778,
        "point_group": "C3v"
    },
    "atoms": {
        "number_of_atoms": 5,
        "element": {
            "C": 12,
            "H": 1,
            "Cl": 35
        }
    },
    "irreducible_representations": {
        "A1": 16,
        "A2": 16,
        "E": 16
    },
    "dataset": {
        "name": "OYT",
        "version": 20180601,
        "doi": "10.5281/zenodo.5716852",
        "max_temperature": 1200.0,
        "num_pressure_broadeners": 0,
        "cooling_function_available": false,
        "specific_heat_available": true,
        "continuum": false,
        "states": {
            "number_of_states": 10176406,
            "max_energy": 8000.0,
            "hyperfine_resolved_dataset": false,
            "uncertainty_description": null,
            "uncertainties_available": false,
            "lifetime_available": true,
            "lande_g_available": false,
            "quantum_case_label": "stcs",
            "num_quanta": 16,
            "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": "tau",
                    "desc": "Lifetime in s",
                    "ffmt": "ES12.4",
                    "cfmt": "%12.4e"
                },
                {
                    "name": "Grve",
                    "ffmt": "A3",
                    "cfmt": "%3s",
                    "desc": "Total (rovibronic) symmetry"
                },
                {
                    "name": "TROVE:v1",
                    "ffmt": "I3",
                    "cfmt": "%3d",
                    "desc": "v1 C--Cl stretch quantum number(3)"
                },
                {
                    "name": "TROVE:v2",
                    "ffmt": "I3",
                    "cfmt": "%3d",
                    "desc": "v2 C--H stretch quantum number(3)"
                },
                {
                    "name": "TROVE:v3",
                    "ffmt": "I3",
                    "cfmt": "%3d",
                    "desc": "v3 C--H stretch quantum number(3)"
                },
                {
                    "name": "TROVE:v4",
                    "ffmt": "I3",
                    "cfmt": "%3d",
                    "desc": "v4 C--H stretch quantum number(3)"
                },
                {
                    "name": "TROVE:v5",
                    "ffmt": "I3",
                    "cfmt": "%3d",
                    "desc": "v5 bend quantum number"
                },
                {
                    "name": "TROVE:v6",
                    "ffmt": "I3",
                    "cfmt": "%3d",
                    "desc": "v6 bend quantum number"
                },
                {
                    "name": "TROVE:v7",
                    "ffmt": "I3",
                    "cfmt": "%3d",
                    "desc": "v7 bend quantum number"
                },
                {
                    "name": "TROVE:v8",
                    "ffmt": "I3",
                    "cfmt": "%3d",
                    "desc": "v8 bend quantum number"
                },
                {
                    "name": "TROVE:v9",
                    "ffmt": "I3",
                    "cfmt": "%3d",
                    "desc": "v9 bend quantum number"
                },
                {
                    "name": "TROVE:Gvib",
                    "ffmt": "A3",
                    "cfmt": "%3s",
                    "desc": "Vibrational symmetry"
                },
                {
                    "name": "J",
                    "ffmt": "I7",
                    "cfmt": "%7d",
                    "desc": "Total rotational quantum number"
                },
                {
                    "name": "Herzberg:K",
                    "ffmt": "I3",
                    "cfmt": "%3d",
                    "desc": "Projection of J onto axis of molecular symmetry"
                },
                {
                    "name": "TROVE:rotpar",
                    "ffmt": "A3",
                    "cfmt": "%3s",
                    "desc": "Rotational parity"
                },
                {
                    "name": "TROVE:Grot",
                    "ffmt": "A3",
                    "cfmt": "%3s",
                    "desc": "Rotational symmetry"
                },
                {
                    "name": "TROVE:Coef",
                    "ffmt": "F5.2",
                    "cfmt": "%5.2f",
                    "desc": "Coefficient with the largest contribution"
                }
            ]
        },
        "transitions": {
            "number_of_transitions": 166279320228,
            "number_of_transition_files": 64,
            "max_wavenumber": 6400.0
        }
    },
    "partition_function": {
        "max_partition_function_temperature": 2000.0,
        "partition_function_step_size": 1.0
    },
    "broad": {
        "default_Lorentzian_half-width": 0.075,
        "default_temperature_exponent": 0.53
    }
}