{
    "isotopologue": {
        "iso_formula": "(31P)(1H)3",
        "iso_slug": "31P-1H3",
        "inchi": "InChI=1S/H3P/h1H3",
        "inchikey": "XYFCBTPGUUZFHI-UHFFFAOYSA-N",
        "cas_registry_number": "7803-51-2",
        "mass_in_Da": 33.99723673,
        "point_group": "C3v"
    },
    "atoms": {
        "number_of_atoms": 4,
        "element": {
            "P": 31,
            "H": 1
        }
    },
    "irreducible_representations": {
        "A1": 8,
        "A2": 8,
        "E": 8
    },
    "dataset": {
        "name": "SAlTY",
        "version": 20170131,
        "doi": "10.5281/zenodo.5716882",
        "max_temperature": 3000.0,
        "num_pressure_broadeners": 2,
        "cooling_function_available": false,
        "specific_heat_available": true,
        "continuum": false,
        "states": {
            "number_of_states": 9787832,
            "max_energy": null,
            "hyperfine_resolved_dataset": false,
            "uncertainty_description": null,
            "uncertainties_available": false,
            "lifetime_available": true,
            "lande_g_available": false,
            "quantum_case_label": "stcs",
            "num_quanta": 18,
            "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": "Herzberg:K",
                    "ffmt": "I3",
                    "cfmt": "%3d",
                    "desc": "Projection of J onto axis of molecular symmetry"
                },
                {
                    "name": "TROVE:Grot",
                    "ffmt": "A3",
                    "cfmt": "%3s",
                    "desc": "Rotational symmetry"
                },
                {
                    "name": "Herzberg:L",
                    "ffmt": "I3",
                    "cfmt": "%3d",
                    "desc": "Projection of total vibrational angular momentum"
                },
                {
                    "name": "Herzberg:v1",
                    "ffmt": "I3",
                    "cfmt": "%3d",
                    "desc": "Normal mode vibrational QN1"
                },
                {
                    "name": "Herzberg:v2",
                    "ffmt": "I3",
                    "cfmt": "%3d",
                    "desc": "Normal mode vibrational QN2"
                },
                {
                    "name": "Herzberg:v3",
                    "ffmt": "I3",
                    "cfmt": "%3d",
                    "desc": "Normal mode vibrational QN3"
                },
                {
                    "name": "Herzberg:v4",
                    "ffmt": "I3",
                    "cfmt": "%3d",
                    "desc": "Normal mode vibrational QN4"
                },
                {
                    "name": "Herzberg:l3",
                    "ffmt": "I3",
                    "cfmt": "%3d",
                    "desc": "Projection of angular momentum corresponding to v3"
                },
                {
                    "name": "Herzberg:l4",
                    "ffmt": "I3",
                    "cfmt": "%3d",
                    "desc": "Projection of angular momentum corresponding to v4"
                },
                {
                    "name": "TROVE:Gvib",
                    "ffmt": "A3",
                    "cfmt": "%3s",
                    "desc": "Vibrational symmetry"
                },
                {
                    "name": "TROVE:Coef",
                    "ffmt": "F5.2",
                    "cfmt": "%5.2f",
                    "desc": "Coefficient with the largest contribution"
                },
                {
                    "name": "TROVE:s1",
                    "ffmt": "I3",
                    "cfmt": "%3d",
                    "desc": "Local mode vibrational QN1"
                },
                {
                    "name": "TROVE:s2",
                    "ffmt": "I3",
                    "cfmt": "%3d",
                    "desc": "Local mode vibrational QN2"
                },
                {
                    "name": "TROVE:s3",
                    "ffmt": "I3",
                    "cfmt": "%3d",
                    "desc": "Local mode vibrational QN3"
                },
                {
                    "name": "TROVE:b1",
                    "ffmt": "I3",
                    "cfmt": "%3d",
                    "desc": "Local mode vibrational QN4"
                },
                {
                    "name": "TROVE:b2",
                    "ffmt": "I3",
                    "cfmt": "%3d",
                    "desc": "Local mode vibrational QN5"
                },
                {
                    "name": "TROVE:b3",
                    "ffmt": "I3",
                    "cfmt": "%3d",
                    "desc": "Local mode vibrational QN6"
                }
            ]
        },
        "transitions": {
            "number_of_transitions": 16803703395,
            "number_of_transition_files": 100,
            "max_wavenumber": 10000.0
        }
    },
    "partition_function": {
        "max_partition_function_temperature": 3000.0,
        "partition_function_step_size": 3.0
    },
    "broad": {
        "default_Lorentzian_half-width": 0.075,
        "default_temperature_exponent": 0.53,
        "H2": {
            "filename": "31P-1H3__H2.broad",
            "max_J": 16,
            "Lorentzian_half_width": 0.0888,
            "temperature_exponent": 0.75,
            "num_quantum_number_sets": 3,
            "quantum_number_sets": [
                {
                    "code": "a2",
                    "num_lines": 1,
                    "num_quantum_numbers": 2,
                    "quantum_numbers": [
                        "K\"",
                        "J'"
                    ]
                },
                {
                    "code": "a1",
                    "num_lines": 68,
                    "num_quantum_numbers": 1,
                    "quantum_numbers": [
                        "K\""
                    ]
                },
                {
                    "code": "a0",
                    "num_lines": 17,
                    "num_quantum_numbers": 0,
                    "quantum_numbers": []
                }
            ]
        },
        "He": {
            "filename": "31P-1H3__He.broad",
            "max_J": 15,
            "Lorentzian_half_width": 0.0452,
            "temperature_exponent": 0.3,
            "num_quantum_number_sets": 3,
            "quantum_number_sets": [
                {
                    "code": "a2",
                    "num_lines": 1,
                    "num_quantum_numbers": 2,
                    "quantum_numbers": [
                        "K\"",
                        "J'"
                    ]
                },
                {
                    "code": "a1",
                    "num_lines": 76,
                    "num_quantum_numbers": 1,
                    "quantum_numbers": [
                        "K\""
                    ]
                },
                {
                    "code": "a0",
                    "num_lines": 15,
                    "num_quantum_numbers": 0,
                    "quantum_numbers": []
                }
            ]
        }
    }
}