{
    "isotopologue": {
        "iso_formula": "(16O)(12C)(17O)",
        "iso_slug": "16O-12C-17O",
        "inchi": "InChI=1S/CO2/c2-1-3/i2+1",
        "inchikey": "CURLTUGMZLYLDI-VQEHIDDOSA-N",
        "cas_registry_number": "nan",
        "mass_in_Da": 44.99404632,
        "point_group": "C2v"
    },
    "atoms": {
        "number_of_atoms": 3,
        "element": {
            "C": 12,
            "O": 16
        }
    },
    "irreducible_representations": {
        "A1": 1,
        "A2": 1,
        "B1": 0,
        "B2": 0
    },
    "dataset": {
        "name": "Dozen",
        "version": 20260115,
        "doi": "10.1093/mnras/staf2135",
        "max_temperature": 4000.0,
        "num_pressure_broadeners": 0,
        "cooling_function_available": false,
        "specific_heat_available": true,
        "continuum": false,
        "states": {
            "number_of_states": 6535175,
            "max_energy": 16000.0,
            "hyperfine_resolved_dataset": false,
            "uncertainty_description": null,
            "uncertainties_available": true,
            "lifetime_available": true,
            "lande_g_available": false,
            "quantum_case_label": "lpcs",
            "num_quanta": 15,
            "num_quantum_types": 3,
            "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": "tau",
                    "desc": "Lifetime in s",
                    "ffmt": "ES12.4",
                    "cfmt": "%12.4e"
                },
                {
                    "name": "Grve",
                    "ffmt": "A3",
                    "cfmt": "%3s",
                    "desc": "Total (rovibronic) symmetry"
                },
                {
                    "name": "e/f",
                    "ffmt": "A1",
                    "cfmt": "%1s",
                    "desc": "Rotationless-parity"
                },
                {
                    "name": "Herzberg:v1",
                    "ffmt": "I2",
                    "cfmt": "%2d",
                    "desc": "Normal mode stretching symmetry QN"
                },
                {
                    "name": "Herzberg:v2",
                    "ffmt": "I2",
                    "cfmt": "%2d",
                    "desc": "Normal mode linear molecule bending QN"
                },
                {
                    "name": "Herzberg:l2",
                    "ffmt": "I2",
                    "cfmt": "%2d",
                    "desc": "Vibrational bending QN (Similar but not identical to standard l2)"
                },
                {
                    "name": "Herzberg:v3",
                    "ffmt": "I2",
                    "cfmt": "%2d",
                    "desc": "Normal mode stretching asymmetric QN"
                },
                {
                    "name": "TROVE: Coef",
                    "ffmt": "F5.2",
                    "cfmt": "%5.2f",
                    "desc": "Coefficient with the largest contribution"
                },
                {
                    "name": "AFGL:m1",
                    "ffmt": "I2",
                    "cfmt": "%2d",
                    "desc": "Symmetric vibrational Fermi-resonullce group QN (-1=not available)"
                },
                {
                    "name": "AFGL:m2",
                    "ffmt": "I2",
                    "cfmt": "%2d",
                    "desc": "Vibrational bending QN (Similar but not identical to standard n2lin)"
                },
                {
                    "name": "AFGL:l2",
                    "ffmt": "I2",
                    "cfmt": "%2d",
                    "desc": "Vibrational bending QN (Similar but not identical to standard l2)"
                },
                {
                    "name": "AFGL:m3",
                    "ffmt": "I3",
                    "cfmt": "%3d",
                    "desc": "Asymmetric vibrational stretching QN (equivalent to n3)"
                },
                {
                    "name": "AFGL:r",
                    "ffmt": "I2",
                    "cfmt": "%2d",
                    "desc": "Fermi-resonullce group ranking QN"
                },
                {
                    "name": "TROVE:n1",
                    "ffmt": "I2",
                    "cfmt": "%2d",
                    "desc": "TROVE stretching vibrational QN1"
                },
                {
                    "name": "TROVE:n2",
                    "ffmt": "I2",
                    "cfmt": "%2d",
                    "desc": "TROVE stretching vibrational QN2"
                },
                {
                    "name": "TROVE:n3",
                    "ffmt": "I2",
                    "cfmt": "%2d",
                    "desc": "TROVE stretching vibrational QN3"
                },
                {
                    "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": 1042026128,
            "number_of_transition_files": 20,
            "max_wavenumber": 20000.0
        }
    },
    "partition_function": {
        "max_partition_function_temperature": 5000.0,
        "partition_function_step_size": 1.0
    },
    "broad": {
        "default_Lorentzian_half-width": 0.1063,
        "default_temperature_exponent": 0.695
    }
}