# GMTKN55, subset DC13 # Geometries, charges and spins extraced from GMTKN archive "13dip": 13dip.xyz "be": be.xyz "be4": be4.xyz "c20bowl": c20bowl.xyz "c20cage": c20cage.xyz "c2h2": c2h2.xyz "c2h4": c2h4.xyz "C6Cl6": C6Cl6.xyz "C6H6": C6H6.xyz "carbooxo1": carbooxo1.xyz "carbooxo2": carbooxo2.xyz "ch2n2": ch2n2.xyz "CL2": CL2.xyz "ethen": ethen.xyz "HCL": HCL.xyz "heptahexaene": heptahexaene.xyz "heptatriyne": heptatriyne.xyz "ISO_C8H8_1": ISO_C8H8_1.xyz "ISO_C8H8_41": ISO_C8H8_41.xyz "ISO_E35": ISO_E35.xyz "ISO_E36": ISO_E36.xyz "ISO_P35": ISO_P35.xyz "ISO_P36": ISO_P36.xyz "o3": o3.xyz "o3_c2h2_add": o3_c2h2_add.xyz "o3_c2h4_add": o3_c2h4_add.xyz "omcb": omcb.xyz "s2": s2.xyz "s8": s8.xyz "tmethen": tmethen.xyz