{
    "isotopologue": {
        "iso_formula": "(12C)2(1H)4",
        "iso_slug": "12C2-1H4",
        "inchi": "InChI=1S/C2H4/c1-2/h1-2H2",
        "inchikey": "VGGSQFUCUMXWEO-UHFFFAOYSA-N",
        "cas_registry_number": "74-85-1",
        "mass_in_Da": 28.03130013,
        "point_group": "D2h"
    },
    "atoms": {
        "number_of_atoms": 6,
        "element": {
            "C": 12,
            "H": 1
        }
    },
    "irreducible_representations": {
        "Ag": 7,
        "Au": 7,
        "B1g": 3,
        "B1u": 3,
        "B2g": 3,
        "B2u": 3,
        "B3g": 3,
        "B3u": 3
    },
    "dataset": {
        "name": "MaYTY",
        "version": 20250807,
        "doi": "10.5281/zenodo.5716846",
        "max_temperature": 700.0,
        "num_pressure_broadeners": 0,
        "cooling_function_available": false,
        "specific_heat_available": true,
        "continuum": false,
        "states": {
            "number_of_states": 45446267,
            "max_energy": 12000.0,
            "hyperfine_resolved_dataset": false,
            "uncertainty_description": null,
            "uncertainties_available": false,
            "lifetime_available": true,
            "lande_g_available": false,
            "quantum_case_label": "asymcs",
            "num_quanta": 19,
            "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:n1",
                    "ffmt": "I6",
                    "cfmt": "%6d",
                    "desc": "[0/3] TROVE quantum number C-C local model stretch"
                },
                {
                    "name": "TROVE:n2",
                    "ffmt": "I4",
                    "cfmt": "%4d",
                    "desc": "[0/3] TROVE quantum number C-H local mode stretch"
                },
                {
                    "name": "TROVE:n3",
                    "ffmt": "I4",
                    "cfmt": "%4d",
                    "desc": "[0/3] TROVE quantum number C-H local mode stretch"
                },
                {
                    "name": "TROVE:n4",
                    "ffmt": "I4",
                    "cfmt": "%4d",
                    "desc": "[0/3] TROVE quantum number C-H local mode stretch"
                },
                {
                    "name": "TROVE:n5",
                    "ffmt": "I4",
                    "cfmt": "%4d",
                    "desc": "[0/3] TROVE quantum number C-H local mode stretch"
                },
                {
                    "name": "TROVE:n6",
                    "ffmt": "I4",
                    "cfmt": "%4d",
                    "desc": "[0/3] TROVE quantum number CCH local mode bend"
                },
                {
                    "name": "TROVE:n7",
                    "ffmt": "I4",
                    "cfmt": "%4d",
                    "desc": "[0/3] TROVE quantum number CCH local mode bend"
                },
                {
                    "name": "TROVE:n8",
                    "ffmt": "I4",
                    "cfmt": "%4d",
                    "desc": "[0/3] TROVE quantum number CCH local mode bend"
                },
                {
                    "name": "TROVE:n9",
                    "ffmt": "I4",
                    "cfmt": "%4d",
                    "desc": "[0/3] TROVE quantum number CCH local mode bend"
                },
                {
                    "name": "TROVE:n10",
                    "ffmt": "I4",
                    "cfmt": "%4d",
                    "desc": "[0/6] TROVE quantum number Beta1 local mode bend"
                },
                {
                    "name": "TROVE:n11",
                    "ffmt": "I4",
                    "cfmt": "%4d",
                    "desc": "[0/6] TROVE quantum number Beta2 local mode bend"
                },
                {
                    "name": "TROVE:n12",
                    "ffmt": "I4",
                    "cfmt": "%4d",
                    "desc": "[0/6] TROVE quantum number tau local mode torsion"
                },
                {
                    "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": 49841085051,
            "number_of_transition_files": 71,
            "max_wavenumber": 7100.0
        }
    },
    "partition_function": {
        "max_partition_function_temperature": 1500.0,
        "partition_function_step_size": 1.0
    },
    "broad": {
        "default_Lorentzian_half-width": 0.11,
        "default_temperature_exponent": 0.6,
        "H2": {}
    }
}