"aceton+": aceton+.xyz "acetyl": acetyl.xyz "but+": but+.xyz "bz_li": bz_li.xyz "bz": bz.xyz "c2h4_f2": c2h4_f2.xyz "c2h4": c2h4.xyz "ch3": ch3.xyz "clclf": clclf.xyz "clfcl": clfcl.xyz "clf": clf.xyz "ethyl": ethyl.xyz "ethyl+": ethyl+.xyz "f2": f2.xyz "h2o2+": h2o2+.xyz "h2o": h2o.xyz "h2o+": h2o+.xyz "he2+": he2+.xyz "he": he.xyz "he+": he+.xyz "li_f2": li_f2.xyz "li": li.xyz "mgo": mgo.xyz "naomg": naomg.xyz "na": na.xyz "nh32+": nh32+.xyz "nh3_clf": nh3_clf.xyz "nh3": nh3.xyz "nh3+": nh3+.xyz