{
    "isotopologue": {
        "iso_formula": "(12C)(1H)3",
        "iso_slug": "12C-1H3",
        "inchi": "InChI=1S/CH3/h1H3",
        "inchikey": "WCYWZMWISLQXQU-UHFFFAOYSA-N",
        "cas_registry_number": "2229-07-04",
        "mass_in_Da": 15.0234751,
        "point_group": "D3h"
    },
    "atoms": {
        "number_of_atoms": 4,
        "element": {
            "C": 12,
            "H": 1
        }
    },
    "irreducible_representations": {
        "A'1": 0,
        "A'2": 12,
        "E'": 6,
        "A\"1": 0,
        "A\"2": 12,
        "E\"": 6
    },
    "dataset": {
        "name": "AYYJ",
        "version": 20190501,
        "doi": "10.5281/zenodo.5716848",
        "max_temperature": 2000.0,
        "num_pressure_broadeners": 0,
        "cooling_function_available": false,
        "specific_heat_available": true,
        "continuum": false,
        "states": {
            "number_of_states": 9127123,
            "max_energy": 9000.0,
            "hyperfine_resolved_dataset": false,
            "uncertainty_description": null,
            "uncertainties_available": false,
            "lifetime_available": false,
            "lande_g_available": false,
            "quantum_case_label": "stos",
            "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": "Grve",
                    "ffmt": "A3",
                    "cfmt": "%3s",
                    "desc": "Total (rovibronic) symmetry"
                },
                {
                    "name": "Herzberg:v1",
                    "ffmt": "I6",
                    "cfmt": "%6d",
                    "desc": "Symmetric stretch quantum number (normal mode)"
                },
                {
                    "name": "Herzberg:v2",
                    "ffmt": "I3",
                    "cfmt": "%3d",
                    "desc": "Symmetric bend quantum number (normal mode)"
                },
                {
                    "name": "Herzberg:v3",
                    "ffmt": "I3",
                    "cfmt": "%3d",
                    "desc": "Asymmetric stretch quantum number (normal mode)"
                },
                {
                    "name": "Herzberg:v4",
                    "ffmt": "I4",
                    "cfmt": "%4d",
                    "desc": "Asymmetric bend quantum number (normal mode)"
                },
                {
                    "name": "Herzberg:l3",
                    "ffmt": "I6",
                    "cfmt": "%6d",
                    "desc": "Asymmetric stretch angular momentum quantum no. (normal mode)"
                },
                {
                    "name": "Herzberg:l4",
                    "ffmt": "I3",
                    "cfmt": "%3d",
                    "desc": "Asymmetric bend angular momentum quantum no. (normal mode)"
                },
                {
                    "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": "Herzberg: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"
                },
                {
                    "name": "TROVE:n1",
                    "ffmt": "I6",
                    "cfmt": "%6d",
                    "desc": "TROVE quantum number 1"
                },
                {
                    "name": "TROVE:n2",
                    "ffmt": "I3",
                    "cfmt": "%3d",
                    "desc": "TROVE quantum number 2"
                },
                {
                    "name": "TROVE:n3",
                    "ffmt": "I3",
                    "cfmt": "%3d",
                    "desc": "TROVE quantum number 3"
                },
                {
                    "name": "TROVE:n4",
                    "ffmt": "I4",
                    "cfmt": "%4d",
                    "desc": "TROVE quantum number 4"
                },
                {
                    "name": "TROVE:n5",
                    "ffmt": "I3",
                    "cfmt": "%3d",
                    "desc": "TROVE quantum number 5"
                },
                {
                    "name": "TROVE:n6",
                    "ffmt": "I3",
                    "cfmt": "%3d",
                    "desc": "TROVE quantum number 6"
                }
            ]
        },
        "transitions": {
            "number_of_transitions": 2058655166,
            "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": 0.053,
        "default_temperature_exponent": 0.5
    }
}