# GMTKN55, subset UPU23
# Geometries, charges and spins extraced from GMTKN archive
"0a": 0a.xyz
"0b": 0b.xyz
"1a": 1a.xyz
"1b": 1b.xyz
"1c": 1c.xyz
"1e": 1e.xyz
"1f": 1f.xyz
"1g": 1g.xyz
"1m": 1m.xyz
"1p": 1p.xyz
"2a": 2a.xyz
"2h": 2h.xyz
"2p": 2p.xyz
"3a": 3a.xyz
"3b": 3b.xyz
"3d": 3d.xyz
"4b": 4b.xyz
"5z": 5z.xyz
"6p": 6p.xyz
"7a": 7a.xyz
"7p": 7p.xyz
"8d": 8d.xyz
"9a": 9a.xyz
"aa": aa.xyz