{
    "isotopologue": {
        "iso_formula": "(14N)(1H)2(2H)",
        "iso_slug": "14N-1H2-2H",
        "inchi": "InChI=1S/H3N/h1H3/i/hD",
        "inchikey": "QGZKDVFQNNGYKY-DYCDLGHISA-N",
        "cas_registry_number": "13587-49-0",
        "mass_in_Da": 18.03282584,
        "point_group": "C2v"
    },
    "atoms": {
        "number_of_atoms": 4,
        "element": {
            "N": 14,
            "H": 2
        }
    },
    "irreducible_representations": {
        "A1": 9,
        "A2": 9,
        "B1": 27,
        "B2": 27
    },
    "dataset": {
        "name": "CoYuTe",
        "version": 20260410,
        "doi": "10.1093/mnras/stag462",
        "max_temperature": 1000.0,
        "num_pressure_broadeners": 0,
        "cooling_function_available": false,
        "specific_heat_available": false,
        "continuum": false,
        "states": {
            "number_of_states": 4968160,
            "max_energy": 17999.999275,
            "hyperfine_resolved_dataset": false,
            "uncertainty_description": null,
            "uncertainties_available": true,
            "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": "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": "Herzberg:v1",
                    "ffmt": "I3",
                    "cfmt": "%3d",
                    "desc": "Normal mode symmetric stretch quantum number"
                },
                {
                    "name": "Herzberg:v2",
                    "ffmt": "I3",
                    "cfmt": "%3d",
                    "desc": "Normal mode symmetric inversion quantum number"
                },
                {
                    "name": "Herzberg:v3a",
                    "ffmt": "I3",
                    "cfmt": "%3d",
                    "desc": "Normal mode asymmetric stretch quantum number"
                },
                {
                    "name": "Herzberg:v3b",
                    "ffmt": "I3",
                    "cfmt": "%3d",
                    "desc": "Normal mode asymmetric stretch quantum number"
                },
                {
                    "name": "Herzberg:v4a",
                    "ffmt": "I3",
                    "cfmt": "%3d",
                    "desc": "Normal mode asymmetric bend quantum number"
                },
                {
                    "name": "Herzberg:v4b",
                    "ffmt": "I3",
                    "cfmt": "%3d",
                    "desc": "Normal mode asymmetric bend quantum number"
                },
                {
                    "name": "invpar",
                    "ffmt": "A1",
                    "cfmt": "%1s",
                    "desc": "Inversional parity"
                },
                {
                    "name": "TROVE:Gvib",
                    "ffmt": "A3",
                    "cfmt": "%3s",
                    "desc": "Vibrational symmetry"
                },
                {
                    "name": "Herzberg:Ka",
                    "ffmt": "I2",
                    "cfmt": "%2d",
                    "desc": "Ka rotational quantum number"
                },
                {
                    "name": "Herzberg:Kc",
                    "ffmt": "I2",
                    "cfmt": "%2d",
                    "desc": "Kc rotational quantum number"
                },
                {
                    "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"
                },
                {
                    "name": "TROVE:n1",
                    "ffmt": "I3",
                    "cfmt": "%3d",
                    "desc": "TROVE vibrational quantum number n1"
                },
                {
                    "name": "TROVE:n2",
                    "ffmt": "I3",
                    "cfmt": "%3d",
                    "desc": "TROVE vibrational quantum number n2"
                },
                {
                    "name": "TROVE:n3",
                    "ffmt": "I3",
                    "cfmt": "%3d",
                    "desc": "TROVE vibrational quantum number n3"
                },
                {
                    "name": "TROVE:n4",
                    "ffmt": "I3",
                    "cfmt": "%3d",
                    "desc": "TROVE vibrational quantum number n4"
                },
                {
                    "name": "TROVE:n5",
                    "ffmt": "I3",
                    "cfmt": "%3d",
                    "desc": "TROVE vibrational quantum number n5"
                },
                {
                    "name": "TROVE:n6",
                    "ffmt": "I3",
                    "cfmt": "%3d",
                    "desc": "TROVE vibrational quantum number n6"
                },
                {
                    "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": 1766049359,
            "number_of_transition_files": 10,
            "max_wavenumber": 10000.0
        }
    },
    "partition_function": {
        "max_partition_function_temperature": 2000.0,
        "partition_function_step_size": 1.0
    },
    "broad": {
        "default_Lorentzian_half-width": null,
        "default_temperature_exponent": null
    }
}