# GMTKN55, subset S66
# Geometries, charges and spins extraced from GMTKN archive
"01": 01.xyz
"01A": 01A.xyz
"01B": 01B.xyz
"02": 02.xyz
"02A": 02A.xyz
"02B": 02B.xyz
"03": 03.xyz
"03A": 03A.xyz
"03B": 03B.xyz
"04": 04.xyz
"04A": 04A.xyz
"04B": 04B.xyz
"05": 05.xyz
"05A": 05A.xyz
"05B": 05B.xyz
"06": 06.xyz
"06A": 06A.xyz
"06B": 06B.xyz
"07": 07.xyz
"07A": 07A.xyz
"07B": 07B.xyz
"08": 08.xyz
"08A": 08A.xyz
"08B": 08B.xyz
"09": 09.xyz
"09A": 09A.xyz
"09B": 09B.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
"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
"24": 24.xyz
"24A": 24A.xyz
"24B": 24B.xyz
"25": 25.xyz
"25A": 25A.xyz
"25B": 25B.xyz
"26": 26.xyz
"26A": 26A.xyz
"26B": 26B.xyz
"27": 27.xyz
"27A": 27A.xyz
"27B": 27B.xyz
"28": 28.xyz
"28A": 28A.xyz
"28B": 28B.xyz
"29": 29.xyz
"29A": 29A.xyz
"29B": 29B.xyz
"30": 30.xyz
"30A": 30A.xyz
"30B": 30B.xyz
"31": 31.xyz
"31A": 31A.xyz
"31B": 31B.xyz
"32": 32.xyz
"32A": 32A.xyz
"32B": 32B.xyz
"33": 33.xyz
"33A": 33A.xyz
"33B": 33B.xyz
"34": 34.xyz
"34A": 34A.xyz
"34B": 34B.xyz
"35": 35.xyz
"35A": 35A.xyz
"35B": 35B.xyz
"36": 36.xyz
"36A": 36A.xyz
"36B": 36B.xyz
"37": 37.xyz
"37A": 37A.xyz
"37B": 37B.xyz
"38": 38.xyz
"38A": 38A.xyz
"38B": 38B.xyz
"39": 39.xyz
"39A": 39A.xyz
"39B": 39B.xyz
"40": 40.xyz
"40A": 40A.xyz
"40B": 40B.xyz
"41": 41.xyz
"41A": 41A.xyz
"41B": 41B.xyz
"42": 42.xyz
"42A": 42A.xyz
"42B": 42B.xyz
"43": 43.xyz
"43A": 43A.xyz
"43B": 43B.xyz
"44": 44.xyz
"44A": 44A.xyz
"44B": 44B.xyz
"45": 45.xyz
"45A": 45A.xyz
"45B": 45B.xyz
"46": 46.xyz
"46A": 46A.xyz
"46B": 46B.xyz
"47": 47.xyz
"47A": 47A.xyz
"47B": 47B.xyz
"48": 48.xyz
"48A": 48A.xyz
"48B": 48B.xyz
"49": 49.xyz
"49A": 49A.xyz
"49B": 49B.xyz
"50": 50.xyz
"50A": 50A.xyz
"50B": 50B.xyz
"51": 51.xyz
"51A": 51A.xyz
"51B": 51B.xyz
"52": 52.xyz
"52A": 52A.xyz
"52B": 52B.xyz
"53": 53.xyz
"53A": 53A.xyz
"53B": 53B.xyz
"54": 54.xyz
"54A": 54A.xyz
"54B": 54B.xyz
"55": 55.xyz
"55A": 55A.xyz
"55B": 55B.xyz
"56": 56.xyz
"56A": 56A.xyz
"56B": 56B.xyz
"57": 57.xyz
"57A": 57A.xyz
"57B": 57B.xyz
"58": 58.xyz
"58A": 58A.xyz
"58B": 58B.xyz
"59": 59.xyz
"59A": 59A.xyz
"59B": 59B.xyz
"60": 60.xyz
"60A": 60A.xyz
"60B": 60B.xyz
"61": 61.xyz
"61A": 61A.xyz
"61B": 61B.xyz
"62": 62.xyz
"62A": 62A.xyz
"62B": 62B.xyz
"63": 63.xyz
"63A": 63A.xyz
"63B": 63B.xyz
"64": 64.xyz
"64A": 64A.xyz
"64B": 64B.xyz
"65": 65.xyz
"65A": 65A.xyz
"65B": 65B.xyz
"66": 66.xyz
"66A": 66A.xyz
"66B": 66B.xyz