# GMTKN55, subset PX13
# Geometries, charges and spins extraced from GMTKN archive
"h2o": h2o.xyz
"h2o_2": h2o_2.xyz
"h2o_2_ts": h2o_2_ts.xyz
"h2o_3": h2o_3.xyz
"h2o_3_ts": h2o_3_ts.xyz
"h2o_4": h2o_4.xyz
"h2o_4_ts": h2o_4_ts.xyz
"h2o_5": h2o_5.xyz
"h2o_5_ts": h2o_5_ts.xyz
"h2o_6": h2o_6.xyz
"h2o_6_ts": h2o_6_ts.xyz
"hf": hf.xyz
"hf_2": hf_2.xyz
"hf_2_ts": hf_2_ts.xyz
"hf_3": hf_3.xyz
"hf_3_ts": hf_3_ts.xyz
"hf_4": hf_4.xyz
"hf_4_ts": hf_4_ts.xyz
"hf_5": hf_5.xyz
"hf_5_ts": hf_5_ts.xyz
"hf_6": hf_6.xyz
"hf_6_ts": hf_6_ts.xyz
"nh3": nh3.xyz
"nh3_2": nh3_2.xyz
"nh3_2_ts": nh3_2_ts.xyz
"nh3_3": nh3_3.xyz
"nh3_3_ts": nh3_3_ts.xyz
"nh3_4": nh3_4.xyz
"nh3_4_ts": nh3_4_ts.xyz