# GMTKN55, subset HAL59 # Geometries, charges and spins extraced from GMTKN archive "11_benF3-benA": 11_benF3-benA.xyz "11_benF3-benAB": 11_benF3-benAB.xyz "11_benF3-benB": 11_benF3-benB.xyz "12_benF6-benA": 12_benF6-benA.xyz "12_benF6-benAB": 12_benF6-benAB.xyz "12_benF6-benB": 12_benF6-benB.xyz "19_benCl-acetoneA": 19_benCl-acetoneA.xyz "19_benCl-acetoneAB": 19_benCl-acetoneAB.xyz "19_benCl-acetoneB": 19_benCl-acetoneB.xyz "20_benBr-acetoneA": 20_benBr-acetoneA.xyz "20_benBr-acetoneAB": 20_benBr-acetoneAB.xyz "20_benBr-acetoneB": 20_benBr-acetoneB.xyz "21_benI-acetoneA": 21_benI-acetoneA.xyz "21_benI-acetoneAB": 21_benI-acetoneAB.xyz "21_benI-acetoneB": 21_benI-acetoneB.xyz "22_benCl-Nm3A": 22_benCl-Nm3A.xyz "22_benCl-Nm3AB": 22_benCl-Nm3AB.xyz "22_benCl-Nm3B": 22_benCl-Nm3B.xyz "23_benBr-Nm3A": 23_benBr-Nm3A.xyz "23_benBr-Nm3AB": 23_benBr-Nm3AB.xyz "23_benBr-Nm3B": 23_benBr-Nm3B.xyz "24_benI-Nm3A": 24_benI-Nm3A.xyz "24_benI-Nm3AB": 24_benI-Nm3AB.xyz "24_benI-Nm3B": 24_benI-Nm3B.xyz "25_benBr-mSHA": 25_benBr-mSHA.xyz "25_benBr-mSHAB": 25_benBr-mSHAB.xyz "25_benBr-mSHB": 25_benBr-mSHB.xyz "26_benI-mSHA": 26_benI-mSHA.xyz "26_benI-mSHAB": 26_benI-mSHAB.xyz "26_benI-mSHB": 26_benI-mSHB.xyz "27_CH3Br-benA": 27_CH3Br-benA.xyz "27_CH3Br-benAB": 27_CH3Br-benAB.xyz "27_CH3Br-benB": 27_CH3Br-benB.xyz "28_CH3I-benA": 28_CH3I-benA.xyz "28_CH3I-benAB": 28_CH3I-benAB.xyz "28_CH3I-benB": 28_CH3I-benB.xyz "29_CF3Br-benA": 29_CF3Br-benA.xyz "29_CF3Br-benAB": 29_CF3Br-benAB.xyz "29_CF3Br-benB": 29_CF3Br-benB.xyz "30_CF3I-benA": 30_CF3I-benA.xyz "30_CF3I-benAB": 30_CF3I-benAB.xyz "30_CF3I-benB": 30_CF3I-benB.xyz "BrBr": BrBr.xyz "BrBr_FCCH": BrBr_FCCH.xyz "BrBr_FMe": BrBr_FMe.xyz "BrBr_NCH": BrBr_NCH.xyz "BrBr_NH3": BrBr_NH3.xyz "BrBr_OCH2": BrBr_OCH2.xyz "BrBr_OPH3": BrBr_OPH3.xyz "BrBr_PCH": BrBr_PCH.xyz "BrBr_pyr": BrBr_pyr.xyz "F3CI": F3CI.xyz "FBr": FBr.xyz "FCCH": FCCH.xyz "FCl": FCl.xyz "FI": FI.xyz "FI_FCCH": FI_FCCH.xyz "FI_FMe": FI_FMe.xyz "FI_NCH": FI_NCH.xyz "FI_NH3": FI_NH3.xyz "FI_OCH2": FI_OCH2.xyz "FI_OPH3": FI_OPH3.xyz "FI_PCH": FI_PCH.xyz "FI_pyr": FI_pyr.xyz "FMe": FMe.xyz "MeI": MeI.xyz "MeI_FCCH": MeI_FCCH.xyz "MeI_FMe": MeI_FMe.xyz "MeI_NCH": MeI_NCH.xyz "MeI_NH3": MeI_NH3.xyz "MeI_OCH2": MeI_OCH2.xyz "MeI_OPH3": MeI_OPH3.xyz "MeI_PCH": MeI_PCH.xyz "MeI_pyr": MeI_pyr.xyz "NBS": NBS.xyz "NCH": NCH.xyz "NCH_F3CI": NCH_F3CI.xyz "NCH_FBr": NCH_FBr.xyz "NCH_FCl": NCH_FCl.xyz "NCH_NBS": NCH_NBS.xyz "NCH_NIS": NCH_NIS.xyz "NCH_PhBr": NCH_PhBr.xyz "NCH_PhI": NCH_PhI.xyz "NH3": NH3.xyz "NH3_F3CI": NH3_F3CI.xyz "NH3_FBr": NH3_FBr.xyz "NH3_FCl": NH3_FCl.xyz "NH3_NBS": NH3_NBS.xyz "NH3_NIS": NH3_NIS.xyz "NH3_PhBr": NH3_PhBr.xyz "NH3_PhI": NH3_PhI.xyz "NIS": NIS.xyz "OCH2": OCH2.xyz "OPH3": OPH3.xyz "PCH": PCH.xyz "PCH_F3CI": PCH_F3CI.xyz "PCH_FBr": PCH_FBr.xyz "PCH_FCl": PCH_FCl.xyz "PCH_NBS": PCH_NBS.xyz "PCH_NIS": PCH_NIS.xyz "PCH_PhBr": PCH_PhBr.xyz "PCH_PhI": PCH_PhI.xyz "PhBr": PhBr.xyz "PhI": PhI.xyz "pyr": pyr.xyz