{"isotopologue": {"inchikey": "QGZKDVFQNNGYKY-OUBTZVSYSA-N", "inchi": "1S/H3N/h1H3/i1+1", "mass_in_Da": 18.023584, "point_group": "D3h", "iso_formula": "(15N)(1H)3", "iso_slug": "15N-1H3"}, "atoms": {"number_of_atoms": 4, "element": {"N": 15, "H": 1}}, "irreducible_representations": {"A'1": "0", "A'2": "8", "E'": "4", "A\"1": "0", "A\"2": "8", "E\"": "4"}, "dataset": {"name": "BYTe-15", "version": 20160726, "doi": "10.5281/zenodo.5716878", "max_temperature": 2000.0, "n_L_default": 0.5, "num_pressure_broadeners": 0, "nxsec_files": 0, "nkcoeff_files": 0, "dipole_available": false, "cooling_function_available": false, "specific_heat_available": null, "continuum": null, "predis": null, "states": {"number_of_states": 2396730, "max_energy": 6000.0, "uncertainty_description": null, "uncertainties_available": null, "lifetime_available": false, "lande_g_available": false, "num_quanta": 20, "states_file_fields": [{"name": "StateID", "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": "g_tot", "desc": "Total energy level degeneracy", "ffmt": "I6", "cfmt": "%6d"}, {"name": "J", "desc": "Total rotational quantum number, excluding nuclear spin", "ffmt": "I7/F7.1", "cfmt": "%7d/%7.1f"}, {"name": "Trove:+/-", "ffmt": "A1", "cfmt": "%1s", "desc": "Parity"}, {"name": "Trove:Gamma", "ffmt": "I2", "cfmt": "%2d", "desc": "Total symmetry index in D3h(M)"}, {"name": "Trove:N(Block)", "ffmt": "I10", "cfmt": "%10d", "desc": "Reference number in the block"}, {"name": "Trove:n1", "ffmt": "I6", "cfmt": "%6d", "desc": "Symmetric stretch quantum number (normal mode)"}, {"name": "Trove:n2", "ffmt": "I3", "cfmt": "%3d", "desc": "Symmetric bend quantum number (normal mode)"}, {"name": "Trove:n3", "ffmt": "I3", "cfmt": "%3d", "desc": "Asymmetric stretch quantum number (normal mode)"}, {"name": "Trove:n4", "ffmt": "I4", "cfmt": "%4d", "desc": "Asymmetric bend quantum number (normal mode)"}, {"name": "Trove:l3", "ffmt": "I6", "cfmt": "%6d", "desc": "Additional normal mode vibrational quantum no."}, {"name": "Trove:l4", "ffmt": "I3", "cfmt": "%3d", "desc": "Additional normal mode vibrational quantum no."}, {"name": "Trove:tau(inv)", "ffmt": "I4", "cfmt": "%4d", "desc": "Inversional parity (takes values 0,1)"}, {"name": "Trove:J", "ffmt": "", "cfmt": "", "desc": "Total rotational angular momentum"}, {"name": "Trove:K", "ffmt": "I3", "cfmt": "%3d", "desc": "Projection of J on axis of molecular symmetry"}, {"name": "Trove:tau(rot)", "ffmt": "I3", "cfmt": "%3d", "desc": "Rotational parity (takes values 0,1)"}, {"name": "Trove:v1", "ffmt": "I6", "cfmt": "%6d", "desc": "v1 symmetric stretch quantum number(3)"}, {"name": "Trove:v2", "ffmt": "I3", "cfmt": "%3d", "desc": "v2 bend quantum number"}, {"name": "Trove:v3", "ffmt": "I3", "cfmt": "%3d", "desc": "v2 asymmetrics stretch quantum number"}, {"name": "Trove:v4", "ffmt": "I3", "cfmt": "%3d", "desc": "Local mode vibrational quantum number"}, {"name": "Trove:v5", "ffmt": "I3", "cfmt": "%3d", "desc": "Local mode vibrational quantum number"}, {"name": "Trove:v6", "ffmt": "I3", "cfmt": "%3d", "desc": "Local mode vibrational quantum number"}, {"name": "Trove:Gamma(vib)", "ffmt": "I5", "cfmt": "%5d", "desc": "D3h(M) vibrational symmetry (local mode)"}]}, "transitions": {"number_of_transitions": 83386943, "number_of_transition_files": 80, "max_wavenumber": 8000.0}}, "partition_function": {"max_partition_function_temperature": 2000.0, "partition_function_step_size": 1.0}, "broad": {"default_Lorentzian_half-width": 0.07, "default_temperature_exponent": 0.5}}