# GMTKN55, subset WCPT18
# Geometries, charges and spins extraced from GMTKN archive
"h2o": h2o.xyz
"reac1": reac1.xyz
"reac2": reac2.xyz
"reac3": reac3.xyz
"reac4": reac4.xyz
"reac5": reac5.xyz
"reac6": reac6.xyz
"reac7": reac7.xyz
"reac8": reac8.xyz
"reac9": reac9.xyz
"ts1": ts1.xyz
"ts1h2o": ts1h2o.xyz
"ts2": ts2.xyz
"ts2h2o": ts2h2o.xyz
"ts3": ts3.xyz
"ts3h2o": ts3h2o.xyz
"ts4": ts4.xyz
"ts4h2o": ts4h2o.xyz
"ts5": ts5.xyz
"ts5h2o": ts5h2o.xyz
"ts6": ts6.xyz
"ts6h2o": ts6h2o.xyz
"ts7": ts7.xyz
"ts7h2o": ts7h2o.xyz
"ts8": ts8.xyz
"ts8h2o": ts8h2o.xyz
"ts9": ts9.xyz
"ts9h2o": ts9h2o.xyz