# GMTKN55, subset PNICO23
# 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
"22": 22.xyz
"22a": 22a.xyz
"22b": 22b.xyz
"23": 23.xyz
"23a": 23a.xyz
"23b": 23b.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