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    "streptocyanine-c3": {"species": "streptocyanine-c3", "xyz": "geometries/xyz/streptocyanine-c3.xyz", "texLine": 2205},
    "streptocyanine-c5": {"species": "streptocyanine-c5", "xyz": "geometries/xyz/streptocyanine-c5.xyz", "texLine": 2227},
    "tetrathiafulvalene": {"species": "tetrathiafulvalene", "xyz": "geometries/xyz/tetrathiafulvalene.xyz", "texLine": 2253},
    "tetrazine": {"species": "tetrazine", "xyz": "geometries/xyz/tetrazine.xyz", "texLine": 2277},
    "thienothiophene": {"species": "thienothiophene", "xyz": "geometries/xyz/thienothiophene.xyz", "texLine": 2295},
    "thioacetone": {"species": "thioacetone", "xyz": "geometries/xyz/thioacetone.xyz", "texLine": 2317},
    "thioacrolein": {"species": "thioacrolein", "xyz": "geometries/xyz/thioacrolein.xyz", "texLine": 2337},
    "thioformaldehyde-S-oxide": {"species": "thioformaldehyde-S-oxide", "xyz": "geometries/xyz/thioformaldehyde-S-oxide.xyz", "texLine": 2383},
    "thioformaldehyde_ES": {"species": "thioformaldehyde", "xyz": "geometries/xyz/thioformaldehyde_2.xyz", "variant": "ES", "texLine": 2369},
    "thioformaldehyde_GS": {"species": "thioformaldehyde", "xyz": "geometries/xyz/thioformaldehyde_1.xyz", "variant": "GS", "default": true, "texLine": 2359},
    "thiophene": {"species": "thiophene", "xyz": "geometries/xyz/thiophene.xyz", "texLine": 2398},
    "thiopropynal": {"species": "thiopropynal", "xyz": "geometries/xyz/thiopropynal.xyz", "texLine": 2417},
    "thymine": {"species": "thymine", "xyz": "geometries/xyz/thymine.xyz", "texLine": 3558},
    "TiN": {"species": "TiN", "xyz": "geometries/xyz/TiN.xyz", "texLine": 3697},
    "tolan": {"species": "tolan", "xyz": "geometries/xyz/tolan.xyz", "texLine": 3444},
    "triazapentalene": {"species": "triazapentalene", "xyz": "geometries/xyz/triazapentalene.xyz", "texLine": 2434},
    "triazine": {"species": "triazine", "xyz": "geometries/xyz/triazine.xyz", "texLine": 2457},
    "uracil": {"species": "uracil", "xyz": "geometries/xyz/uracil.xyz", "texLine": 3584},
    "vinyl": {"species": "vinyl", "xyz": "geometries/xyz/vinyl.xyz", "texLine": 2927},
    "water": {"species": "water", "xyz": "geometries/xyz/water.xyz", "texLine": 2476},
    "ZnH": {"species": "ZnH", "xyz": "geometries/xyz/ZnH.xyz", "texLine": 3709},
    "ZnO": {"species": "ZnO", "xyz": "geometries/xyz/ZnO.xyz", "texLine": 3721},
    "ZnS": {"species": "ZnS", "xyz": "geometries/xyz/ZnS.xyz", "texLine": 3733}
  },
  "chargedBenchmarks": {
    "charged/core_IPs/bf.json": {"geometryId": "BF", "benchmarkXyz": "charged/core_IPs/geometries/BF.xyz"},
    "charged/core_IPs/c2h2_c.json": {"geometryId": "acetylene_GS", "benchmarkXyz": "charged/core_IPs/geometries/C2H2.xyz"},
    "charged/core_IPs/c2h3f_c1.json": {"geometryId": "CH2CHF", "benchmarkXyz": "charged/core_IPs/geometries/CH2CHF.xyz"},
    "charged/core_IPs/c2h3f_c2.json": {"geometryId": "CH2CHF", "benchmarkXyz": "charged/core_IPs/geometries/CH2CHF.xyz"},
    "charged/core_IPs/c2h3f_f.json": {"geometryId": "CH2CHF", "benchmarkXyz": "charged/core_IPs/geometries/CH2CHF.xyz"},
    "charged/core_IPs/c2h4_c.json": {"geometryId": "ethylene", "benchmarkXyz": "charged/core_IPs/geometries/C2H4.xyz"},
    "charged/core_IPs/ch2nh_c.json": {"geometryId": "methanimine", "benchmarkXyz": "charged/core_IPs/geometries/CH2NH.xyz"},
    "charged/core_IPs/ch2nh_n.json": {"geometryId": "methanimine", "benchmarkXyz": "charged/core_IPs/geometries/CH2NH.xyz"},
    "charged/core_IPs/ch2o_c.json": {"geometryId": "formaldehyde_GS", "benchmarkXyz": "charged/core_IPs/geometries/CH2O.xyz"},
    "charged/core_IPs/ch2o_o.json": {"geometryId": "formaldehyde_GS", "benchmarkXyz": "charged/core_IPs/geometries/CH2O.xyz"},
    "charged/core_IPs/ch2s_c.json": {"geometryId": "thioformaldehyde_GS", "benchmarkXyz": "charged/core_IPs/geometries/CH2S.xyz"},
    "charged/core_IPs/ch2s_s.json": {"geometryId": "thioformaldehyde_GS", "benchmarkXyz": "charged/core_IPs/geometries/CH2S.xyz"},
    "charged/core_IPs/ch3cho_c1.json": {"geometryId": "acetaldehyde", "benchmarkXyz": "charged/core_IPs/geometries/CH3CHO.xyz"},
    "charged/core_IPs/ch3cho_c2.json": {"geometryId": "acetaldehyde", "benchmarkXyz": "charged/core_IPs/geometries/CH3CHO.xyz"},
    "charged/core_IPs/ch3cho_o.json": {"geometryId": "acetaldehyde", "benchmarkXyz": "charged/core_IPs/geometries/CH3CHO.xyz"},
    "charged/core_IPs/ch3cn_c1.json": {"geometryId": "CH3CN", "benchmarkXyz": "charged/core_IPs/geometries/CH3CN.xyz"},
    "charged/core_IPs/ch3cn_c2.json": {"geometryId": "CH3CN", "benchmarkXyz": "charged/core_IPs/geometries/CH3CN.xyz"},
    "charged/core_IPs/ch3cn_n.json": {"geometryId": "CH3CN", "benchmarkXyz": "charged/core_IPs/geometries/CH3CN.xyz"},
    "charged/core_IPs/ch3f_c.json": {"geometryId": "CH3F", "benchmarkXyz": "charged/core_IPs/geometries/CH3F.xyz"},
    "charged/core_IPs/ch3f_f.json": {"geometryId": "CH3F", "benchmarkXyz": "charged/core_IPs/geometries/CH3F.xyz"},
    "charged/core_IPs/ch3nc_c1.json": {"geometryId": "CH3NC", "benchmarkXyz": "charged/core_IPs/geometries/CH3NC.xyz"},
    "charged/core_IPs/ch3nc_c2.json": {"geometryId": "CH3NC", "benchmarkXyz": "charged/core_IPs/geometries/CH3NC.xyz"},
    "charged/core_IPs/ch3nc_n.json": {"geometryId": "CH3NC", "benchmarkXyz": "charged/core_IPs/geometries/CH3NC.xyz"},
    "charged/core_IPs/ch3no_c.json": {"geometryId": "nitrosomethane_GS", "benchmarkXyz": "charged/core_IPs/geometries/CH3NO.xyz"},
    "charged/core_IPs/ch3no_n.json": {"geometryId": "nitrosomethane_GS", "benchmarkXyz": "charged/core_IPs/geometries/CH3NO.xyz"},
    "charged/core_IPs/ch3no_o.json": {"geometryId": "nitrosomethane_GS", "benchmarkXyz": "charged/core_IPs/geometries/CH3NO.xyz"},
    "charged/core_IPs/ch3oh_c.json": {"geometryId": "CH3OH", "benchmarkXyz": "charged/core_IPs/geometries/CH3OH.xyz"},
    "charged/core_IPs/ch3oh_o.json": {"geometryId": "CH3OH", "benchmarkXyz": "charged/core_IPs/geometries/CH3OH.xyz"},
    "charged/core_IPs/ch4.json": {"geometryId": "CH4", "benchmarkXyz": "charged/core_IPs/geometries/CH4.xyz"},
    "charged/core_IPs/cl2.json": {"geometryId": "Cl2", "benchmarkXyz": "charged/core_IPs/geometries/Cl2.xyz"},
    "charged/core_IPs/co2_c.json": {"geometryId": "carbon_dioxide", "benchmarkXyz": "charged/core_IPs/geometries/CO2.xyz"},
    "charged/core_IPs/co2_o.json": {"geometryId": "carbon_dioxide", "benchmarkXyz": "charged/core_IPs/geometries/CO2.xyz"},
    "charged/core_IPs/co_c.json": {"geometryId": "carbon_monoxide", "benchmarkXyz": "charged/core_IPs/geometries/CO.xyz"},
    "charged/core_IPs/co_o.json": {"geometryId": "carbon_monoxide", "benchmarkXyz": "charged/core_IPs/geometries/CO.xyz"},
    "charged/core_IPs/cs_c.json": {"geometryId": "CS", "benchmarkXyz": "charged/core_IPs/geometries/CS.xyz"},
    "charged/core_IPs/cs_s.json": {"geometryId": "CS", "benchmarkXyz": "charged/core_IPs/geometries/CS.xyz"},
    "charged/core_IPs/f2.json": {"geometryId": "F2", "benchmarkXyz": "charged/core_IPs/geometries/F2.xyz"},
    "charged/core_IPs/fcho_c.json": {"geometryId": "formylfluoride", "benchmarkXyz": "charged/core_IPs/geometries/FCHO.xyz"},
    "charged/core_IPs/fcho_f.json": {"geometryId": "formylfluoride", "benchmarkXyz": "charged/core_IPs/geometries/FCHO.xyz"},
    "charged/core_IPs/fcho_o.json": {"geometryId": "formylfluoride", "benchmarkXyz": "charged/core_IPs/geometries/FCHO.xyz"},
    "charged/core_IPs/h2cco_c1.json": {"geometryId": "ketene_GS", "benchmarkXyz": "charged/core_IPs/geometries/H2CCO.xyz"},
    "charged/core_IPs/h2cco_c2.json": {"geometryId": "ketene_GS", "benchmarkXyz": "charged/core_IPs/geometries/H2CCO.xyz"},
    "charged/core_IPs/h2cco_o.json": {"geometryId": "ketene_GS", "benchmarkXyz": "charged/core_IPs/geometries/H2CCO.xyz"},
    "charged/core_IPs/h2cnn_c.json": {"geometryId": "diazomethane_GS", "benchmarkXyz": "charged/core_IPs/geometries/H2CNN.xyz"},
    "charged/core_IPs/h2cnn_n1.json": {"geometryId": "diazomethane_GS", "benchmarkXyz": "charged/core_IPs/geometries/H2CNN.xyz"},
    "charged/core_IPs/h2cnn_n2.json": {"geometryId": "diazomethane_GS", "benchmarkXyz": "charged/core_IPs/geometries/H2CNN.xyz"},
    "charged/core_IPs/h2ncho_c.json": {"geometryId": "formamide", "benchmarkXyz": "charged/core_IPs/geometries/H2NCHO.xyz"},
    "charged/core_IPs/h2ncho_n.json": {"geometryId": "formamide", "benchmarkXyz": "charged/core_IPs/geometries/H2NCHO.xyz"},
    "charged/core_IPs/h2ncho_o.json": {"geometryId": "formamide", "benchmarkXyz": "charged/core_IPs/geometries/H2NCHO.xyz"},
    "charged/core_IPs/h2o.json": {"geometryId": "water", "benchmarkXyz": "charged/core_IPs/geometries/H2O.xyz"},
    "charged/core_IPs/h2s.json": {"geometryId": "hydrogen_sulfide", "benchmarkXyz": "charged/core_IPs/geometries/H2S.xyz"},
    "charged/core_IPs/hcl.json": {"geometryId": "hydrogen_chloride", "benchmarkXyz": "charged/core_IPs/geometries/HCl.xyz"},
    "charged/core_IPs/hcn_c.json": {"geometryId": "HCN", "benchmarkXyz": "charged/core_IPs/geometries/HCN.xyz"},
    "charged/core_IPs/hcn_n.json": {"geometryId": "HCN", "benchmarkXyz": "charged/core_IPs/geometries/HCN.xyz"},
    "charged/core_IPs/hcooh_c.json": {"geometryId": "HCOOH", "benchmarkXyz": "charged/core_IPs/geometries/HCOOH.xyz"},
    "charged/core_IPs/hcooh_o1.json": {"geometryId": "HCOOH", "benchmarkXyz": "charged/core_IPs/geometries/HCOOH.xyz"},
    "charged/core_IPs/hcooh_o2.json": {"geometryId": "HCOOH", "benchmarkXyz": "charged/core_IPs/geometries/HCOOH.xyz"},
    "charged/core_IPs/hf.json": {"geometryId": "HF", "benchmarkXyz": "charged/core_IPs/geometries/HF.xyz"},
    "charged/core_IPs/hnco_c.json": {"geometryId": "HNCO", "benchmarkXyz": "charged/core_IPs/geometries/HNCO.xyz"},
    "charged/core_IPs/hnco_n.json": {"geometryId": "HNCO", "benchmarkXyz": "charged/core_IPs/geometries/HNCO.xyz"},
    "charged/core_IPs/hnco_o.json": {"geometryId": "HNCO", "benchmarkXyz": "charged/core_IPs/geometries/HNCO.xyz"},
    "charged/core_IPs/hno_n.json": {"geometryId": "nitroxyl", "benchmarkXyz": "charged/core_IPs/geometries/HNO.xyz"},
    "charged/core_IPs/hno_o.json": {"geometryId": "nitroxyl", "benchmarkXyz": "charged/core_IPs/geometries/HNO.xyz"},
    "charged/core_IPs/hof_f.json": {"geometryId": "HOF", "benchmarkXyz": "charged/core_IPs/geometries/HOF.xyz"},
    "charged/core_IPs/hof_o.json": {"geometryId": "HOF", "benchmarkXyz": "charged/core_IPs/geometries/HOF.xyz"},
    "charged/core_IPs/n2.json": {"geometryId": "dinitrogen", "benchmarkXyz": "charged/core_IPs/geometries/N2.xyz"},
    "charged/core_IPs/n2ch2_c.json": {"geometryId": "diazirine", "benchmarkXyz": "charged/core_IPs/geometries/N2CH2.xyz"},
    "charged/core_IPs/n2ch2_n.json": {"geometryId": "diazirine", "benchmarkXyz": "charged/core_IPs/geometries/N2CH2.xyz"},
    "charged/core_IPs/nh2f_f.json": {"geometryId": "NH2F", "benchmarkXyz": "charged/core_IPs/geometries/NH2F.xyz"},
    "charged/core_IPs/nh2f_n.json": {"geometryId": "NH2F", "benchmarkXyz": "charged/core_IPs/geometries/NH2F.xyz"},
    "charged/core_IPs/nh3.json": {"geometryId": "ammonia", "benchmarkXyz": "charged/core_IPs/geometries/NH3.xyz"},
    "charged/core_IPs/nno_n1.json": {"geometryId": "nitrous_oxide", "benchmarkXyz": "charged/core_IPs/geometries/NNO.xyz"},
    "charged/core_IPs/nno_n2.json": {"geometryId": "nitrous_oxide", "benchmarkXyz": "charged/core_IPs/geometries/NNO.xyz"},
    "charged/core_IPs/nno_o.json": {"geometryId": "nitrous_oxide", "benchmarkXyz": "charged/core_IPs/geometries/NNO.xyz"},
    "charged/core_IPs/ocs_c.json": {"geometryId": "OCS", "benchmarkXyz": "charged/core_IPs/geometries/OCS.xyz"},
    "charged/core_IPs/ocs_o.json": {"geometryId": "OCS", "benchmarkXyz": "charged/core_IPs/geometries/OCS.xyz"},
    "charged/core_IPs/ocs_s.json": {"geometryId": "OCS", "benchmarkXyz": "charged/core_IPs/geometries/OCS.xyz"},
    "charged/core_IPs/p2.json": {"geometryId": "P2", "benchmarkXyz": "charged/core_IPs/geometries/P2.xyz"},
    "charged/core_IPs/ph3.json": {"geometryId": "PH3", "benchmarkXyz": "charged/core_IPs/geometries/PH3.xyz"},
    "charged/core_IPs/pn_n.json": {"geometryId": "PN", "benchmarkXyz": "charged/core_IPs/geometries/PN.xyz"},
    "charged/core_IPs/pn_p.json": {"geometryId": "PN", "benchmarkXyz": "charged/core_IPs/geometries/PN.xyz"},
    "charged/core_IPs/sih4.json": {"geometryId": "SiH4", "benchmarkXyz": "charged/core_IPs/geometries/SiH4.xyz"},
    "charged/core_IPs/sio_o.json": {"geometryId": "SiO", "benchmarkXyz": "charged/core_IPs/geometries/SiO.xyz"},
    "charged/core_IPs/sio_si.json": {"geometryId": "SiO", "benchmarkXyz": "charged/core_IPs/geometries/SiO.xyz"},
    "charged/DIPs/ar.json": {"geometryId": "Ar", "benchmarkXyz": "charged/valence_IPs/geometries/Ar.xyz"},
    "charged/DIPs/beo.json": {"geometryId": "BeO", "benchmarkXyz": "charged/valence_IPs/geometries/BeO.xyz"},
    "charged/DIPs/bf.json": {"geometryId": "BF", "benchmarkXyz": "charged/valence_IPs/geometries/BF.xyz"},
    "charged/DIPs/bh3.json": {"geometryId": "BH3", "benchmarkXyz": "charged/valence_IPs/geometries/BH3.xyz"},
    "charged/DIPs/bn.json": {"geometryId": "BN", "benchmarkXyz": "charged/valence_IPs/geometries/BN.xyz"},
    "charged/DIPs/c2.json": {"geometryId": "carbon_dimer", "benchmarkXyz": "charged/valence_IPs/geometries/C2.xyz"},
    "charged/DIPs/ch2o.json": {"geometryId": "formaldehyde_GS", "benchmarkXyz": "charged/valence_IPs/geometries/CH2O.xyz"},
    "charged/DIPs/ch4.json": {"geometryId": "CH4", "benchmarkXyz": "charged/valence_IPs/geometries/CH4.xyz"},
    "charged/DIPs/co.json": {"geometryId": "carbon_monoxide", "benchmarkXyz": "charged/valence_IPs/geometries/CO.xyz"},
    "charged/DIPs/co2.json": {"geometryId": "carbon_dioxide", "benchmarkXyz": "charged/valence_IPs/geometries/CO2.xyz"},
    "charged/DIPs/cs.json": {"geometryId": "CS", "benchmarkXyz": "charged/valence_IPs/geometries/CS.xyz"},
    "charged/DIPs/f2.json": {"geometryId": "F2", "benchmarkXyz": "charged/valence_IPs/geometries/F2.xyz"},
    "charged/DIPs/h2o.json": {"geometryId": "water", "benchmarkXyz": "charged/valence_IPs/geometries/H2O.xyz"},
    "charged/DIPs/h2s.json": {"geometryId": "hydrogen_sulfide", "benchmarkXyz": "charged/valence_IPs/geometries/H2S.xyz"},
    "charged/DIPs/hcl.json": {"geometryId": "hydrogen_chloride", "benchmarkXyz": "charged/valence_IPs/geometries/HCl.xyz"},
    "charged/DIPs/hf.json": {"geometryId": "HF", "benchmarkXyz": "charged/valence_IPs/geometries/HF.xyz"},
    "charged/DIPs/licl.json": {"geometryId": "LiCl", "benchmarkXyz": "charged/valence_IPs/geometries/LiCl.xyz"},
    "charged/DIPs/lif.json": {"geometryId": "LiF", "benchmarkXyz": "charged/valence_IPs/geometries/LiF.xyz"},
    "charged/DIPs/n2.json": {"geometryId": "dinitrogen", "benchmarkXyz": "charged/valence_IPs/geometries/N2.xyz"},
    "charged/DIPs/ne.json": {"geometryId": "Ne", "benchmarkXyz": "charged/valence_IPs/geometries/Ne.xyz"},
    "charged/DIPs/nh3.json": {"geometryId": "ammonia", "benchmarkXyz": "charged/valence_IPs/geometries/NH3.xyz"},
    "charged/DIPs/ph3.json": {"geometryId": "PH3", "benchmarkXyz": "charged/valence_IPs/geometries/PH3.xyz"},
    "charged/DIPs/sih4.json": {"geometryId": "SiH4", "benchmarkXyz": "charged/valence_IPs/geometries/SiH4.xyz"},
    "charged/valence_IPs/ar.json": {"geometryId": "Ar", "benchmarkXyz": "charged/valence_IPs/geometries/Ar.xyz"},
    "charged/valence_IPs/beo.json": {"geometryId": "BeO", "benchmarkXyz": "charged/valence_IPs/geometries/BeO.xyz"},
    "charged/valence_IPs/bf.json": {"geometryId": "BF", "benchmarkXyz": "charged/valence_IPs/geometries/BF.xyz"},
    "charged/valence_IPs/bh3.json": {"geometryId": "BH3", "benchmarkXyz": "charged/valence_IPs/geometries/BH3.xyz"},
    "charged/valence_IPs/bn.json": {"geometryId": "BN", "benchmarkXyz": "charged/valence_IPs/geometries/BN.xyz"},
    "charged/valence_IPs/c2.json": {"geometryId": "carbon_dimer", "benchmarkXyz": "charged/valence_IPs/geometries/C2.xyz"},
    "charged/valence_IPs/ch2o.json": {"geometryId": "formaldehyde_GS", "benchmarkXyz": "charged/valence_IPs/geometries/CH2O.xyz"},
    "charged/valence_IPs/ch4.json": {"geometryId": "CH4", "benchmarkXyz": "charged/valence_IPs/geometries/CH4.xyz"},
    "charged/valence_IPs/co.json": {"geometryId": "carbon_monoxide", "benchmarkXyz": "charged/valence_IPs/geometries/CO.xyz"},
    "charged/valence_IPs/co2.json": {"geometryId": "carbon_dioxide", "benchmarkXyz": "charged/valence_IPs/geometries/CO2.xyz"},
    "charged/valence_IPs/cs.json": {"geometryId": "CS", "benchmarkXyz": "charged/valence_IPs/geometries/CS.xyz"},
    "charged/valence_IPs/f2.json": {"geometryId": "F2", "benchmarkXyz": "charged/valence_IPs/geometries/F2.xyz"},
    "charged/valence_IPs/h2o.json": {"geometryId": "water", "benchmarkXyz": "charged/valence_IPs/geometries/H2O.xyz"},
    "charged/valence_IPs/h2s.json": {"geometryId": "hydrogen_sulfide", "benchmarkXyz": "charged/valence_IPs/geometries/H2S.xyz"},
    "charged/valence_IPs/hcl.json": {"geometryId": "hydrogen_chloride", "benchmarkXyz": "charged/valence_IPs/geometries/HCl.xyz"},
    "charged/valence_IPs/hf.json": {"geometryId": "HF", "benchmarkXyz": "charged/valence_IPs/geometries/HF.xyz"},
    "charged/valence_IPs/licl.json": {"geometryId": "LiCl", "benchmarkXyz": "charged/valence_IPs/geometries/LiCl.xyz"},
    "charged/valence_IPs/lif.json": {"geometryId": "LiF", "benchmarkXyz": "charged/valence_IPs/geometries/LiF.xyz"},
    "charged/valence_IPs/n2.json": {"geometryId": "dinitrogen", "benchmarkXyz": "charged/valence_IPs/geometries/N2.xyz"},
    "charged/valence_IPs/ne.json": {"geometryId": "Ne", "benchmarkXyz": "charged/valence_IPs/geometries/Ne.xyz"},
    "charged/valence_IPs/nh3.json": {"geometryId": "ammonia", "benchmarkXyz": "charged/valence_IPs/geometries/NH3.xyz"},
    "charged/valence_IPs/ph3.json": {"geometryId": "PH3", "benchmarkXyz": "charged/valence_IPs/geometries/PH3.xyz"},
    "charged/valence_IPs/sih4.json": {"geometryId": "SiH4", "benchmarkXyz": "charged/valence_IPs/geometries/SiH4.xyz"}
  }
}
