# GMTKN55, subset ICONF # Geometries, charges and spins extraced from GMTKN archive "H2S2O7_1": H2S2O7_1.xyz "H2S2O7_2": H2S2O7_2.xyz "H2S2O7_3": H2S2O7_3.xyz "H4P2O7_1": H4P2O7_1.xyz "H4P2O7_2": H4P2O7_2.xyz "H4P2O7_3": H4P2O7_3.xyz "H4P2O7_4": H4P2O7_4.xyz "N3H5_1": N3H5_1.xyz "N3H5_2": N3H5_2.xyz "N3H5_3": N3H5_3.xyz "N3P3H12_1": N3P3H12_1.xyz "N3P3H12_2": N3P3H12_2.xyz "N4H6_1": N4H6_1.xyz "N4H6_2": N4H6_2.xyz "N4H6_3": N4H6_3.xyz "P7H7_1": P7H7_1.xyz "P7H7_2": P7H7_2.xyz "S4O4_1": S4O4_1.xyz "S4O4_2": S4O4_2.xyz "S8_1": S8_1.xyz "S8_2": S8_2.xyz "SI5H12_1": SI5H12_1.xyz "SI5H12_2": SI5H12_2.xyz "SI5H12_3": SI5H12_3.xyz "SI5H12_4": SI5H12_4.xyz "SI6H12_1": SI6H12_1.xyz "SI6H12_2": SI6H12_2.xyz