# GMTKN55, subset RC21
# Geometries, charges and spins extraced from GMTKN archive
"10e": 10e.xyz
"10p1": 10p1.xyz
"10p2": 10p2.xyz
"1e": 1e.xyz
"1p1": 1p1.xyz
"1p2": 1p2.xyz
"1p3": 1p3.xyz
"2e": 2e.xyz
"2p1": 2p1.xyz
"2p2": 2p2.xyz
"2p3": 2p3.xyz
"3e": 3e.xyz
"3int1": 3int1.xyz
"3int2": 3int2.xyz
"3int3": 3int3.xyz
"3p1": 3p1.xyz
"3p2": 3p2.xyz
"3p3": 3p3.xyz
"4e": 4e.xyz
"4p": 4p.xyz
"5e": 5e.xyz
"5p": 5p.xyz
"6e": 6e.xyz
"6int": 6int.xyz
"6p1": 6p1.xyz
"6p3": 6p3.xyz
"7e": 7e.xyz
"7p1": 7p1.xyz
"7p2": 7p2.xyz
"7p3": 7p3.xyz
"7p4": 7p4.xyz
"7p5": 7p5.xyz
"7p6": 7p6.xyz
"8e": 8e.xyz
"8p1": 8p1.xyz
"9e": 9e.xyz
"9p1": 9p1.xyz
"9p2": 9p2.xyz
"ethylene": ethylene.xyz
"me": me.xyz
"pr": pr.xyz