# GMTKN55, subset MB16-43
# Geometries, charges and spins extraced from GMTKN archive
"01": 01.xyz
"02": 02.xyz
"03": 03.xyz
"04": 04.xyz
"05": 05.xyz
"06": 06.xyz
"07": 07.xyz
"08": 08.xyz
"09": 09.xyz
"10": 10.xyz
"11": 11.xyz
"12": 12.xyz
"13": 13.xyz
"14": 14.xyz
"15": 15.xyz
"16": 16.xyz
"17": 17.xyz
"18": 18.xyz
"19": 19.xyz
"20": 20.xyz
"21": 21.xyz
"22": 22.xyz
"23": 23.xyz
"24": 24.xyz
"25": 25.xyz
"26": 26.xyz
"27": 27.xyz
"28": 28.xyz
"29": 29.xyz
"30": 30.xyz
"31": 31.xyz
"32": 32.xyz
"33": 33.xyz
"34": 34.xyz
"35": 35.xyz
"36": 36.xyz
"37": 37.xyz
"38": 38.xyz
"39": 39.xyz
"40": 40.xyz
"41": 41.xyz
"42": 42.xyz
"43": 43.xyz
"AlH3": AlH3.xyz
"BeH2": BeH2.xyz
"BH3": BH3.xyz
"CH4": CH4.xyz
"Cl2": Cl2.xyz
"F2": F2.xyz
"H2": H2.xyz
"LiH": LiH.xyz
"MgH2": MgH2.xyz
"N2": N2.xyz
"NaH": NaH.xyz
"O2": O2.xyz
"P2": P2.xyz
"S2": S2.xyz
"SiH4": SiH4.xyz