# GMTKN55, subset PArel
# Geometries, charges and spins extraced from GMTKN archive
"A0": A0.xyz
"A1": A1.xyz
"A2": A2.xyz
"aminocoohbz1": aminocoohbz1.xyz
"aminocoohbz2": aminocoohbz2.xyz
"aminocoohbz3": aminocoohbz3.xyz
"arg0": arg0.xyz
"arg2": arg2.xyz
"c2cl41": c2cl41.xyz
"c2cl42": c2cl42.xyz
"c2cl43": c2cl43.xyz
"c2h2f41": c2h2f41.xyz
"c2h2f42": c2h2f42.xyz
"h2s2o71": h2s2o71.xyz
"h2s2o72": h2s2o72.xyz
"h4p2o71": h4p2o71.xyz
"h4p2o72": h4p2o72.xyz
"his0": his0.xyz
"his1": his1.xyz
"his2": his2.xyz
"his3": his3.xyz
"s4o41": s4o41.xyz
"s4o42": s4o42.xyz
"sugar0": sugar0.xyz
"sugar2": sugar2.xyz
"sugar3": sugar3.xyz
"sugar4": sugar4.xyz
"T0": T0.xyz
"T1": T1.xyz
"T2": T2.xyz
"T3": T3.xyz