# GMTKN55, subset AHB21
# Geometries, charges and spins extraced from GMTKN archive
"1": 1.xyz
"10": 10.xyz
"10A": 10A.xyz
"10B": 10B.xyz
"11": 11.xyz
"11A": 11A.xyz
"11B": 11B.xyz
"12": 12.xyz
"12A": 12A.xyz
"12B": 12B.xyz
"13": 13.xyz
"13A": 13A.xyz
"13B": 13B.xyz
"14": 14.xyz
"14A": 14A.xyz
"14B": 14B.xyz
"15": 15.xyz
"15A": 15A.xyz
"15B": 15B.xyz
"16": 16.xyz
"16A": 16A.xyz
"16B": 16B.xyz
"17": 17.xyz
"17A": 17A.xyz
"17B": 17B.xyz
"18": 18.xyz
"18A": 18A.xyz
"18B": 18B.xyz
"19": 19.xyz
"19A": 19A.xyz
"19B": 19B.xyz
"1A": 1A.xyz
"1B": 1B.xyz
"2": 2.xyz
"20": 20.xyz
"20A": 20A.xyz
"20B": 20B.xyz
"21": 21.xyz
"21A": 21A.xyz
"21B": 21B.xyz
"2A": 2A.xyz
"2B": 2B.xyz
"3": 3.xyz
"3A": 3A.xyz
"3B": 3B.xyz
"4": 4.xyz
"4A": 4A.xyz
"4B": 4B.xyz
"5": 5.xyz
"5A": 5A.xyz
"5B": 5B.xyz
"6": 6.xyz
"6A": 6A.xyz
"6B": 6B.xyz
"7": 7.xyz
"7A": 7A.xyz
"7B": 7B.xyz
"8": 8.xyz
"8A": 8A.xyz
"8B": 8B.xyz
"9": 9.xyz
"9A": 9A.xyz
"9B": 9B.xyz