GMTKN30 WATER27 --------------- References ^^^^^^^^^^ | GMTKN30: https://www.chemie.uni-bonn.de/grimme/de/software/gmtkn/gmtkn30 | L. Goerigk, and S. Grimme in Phys. J. Chem. Theory Comput., 2011: https://doi.org/10.1021/ct100466k Molecules ^^^^^^^^^ H3OpH2O6OHm OHmH2O2 H3OpH2O2 H3OpH2O62d H2O6c H3OpH2O63d H2O20es H2O5 OHmH2O6 OHmH2O5 H2O8s4 H2O2 H2O3 H2O6c2 OHmH2O4cs H2O6b H3OpH2O H2O6 H2O OHmH2O3 OHmH2O H2O20fc OHmH2O4c4 OHm H2O4 H3OpH2O3 H2O20 H2O8d2d H2O20fs H3Op Reactions ^^^^^^^^^ | 1: H2O2 -> 2H2O, energy = 0.0079839432144 | 2: H2O3 -> 3H2O, energy = 0.025178902752 | 3: H2O4 -> 4H2O, energy = 0.043664679456 | 4: H2O5 -> 5H2O, energy = 0.057210291696 | 5: H2O6 -> 6H2O, energy = 0.07330566624 | 6: H2O6c -> 6H2O, energy = 0.07298694595199999 | 7: H2O6b -> 6H2O, energy = 0.072190145232 | 8: H2O6c2 -> 6H2O, energy = 0.07059654379199999 | 9: H2O8d2d -> 8H2O, energy = 0.115695464544 | 10: H2O8s4 -> 8H2O, energy = 0.115695464544 | 11: H2O20 -> 20H2O, energy = 0.318879648144 | 12: H2O20fc -> 20H2O, energy = 0.338799666144 | 13: H2O20fs -> 20H2O, energy = 0.3426243096 | 14: H2O20es -> 20H2O, energy = 0.34724575377600003 | 15: H3OpH2O -> H3Op + H2O, energy = 0.05338564824 | 16: H3OpH2O2 -> H3Op + 2H2O, energy = 0.09067592193599999 | 17: H3OpH2O3 -> H3Op + 3H2O, energy = 0.12191051016 | 18: H3OpH2O63d -> H3Op + 6H2O, energy = 0.187726249632 | 19: H3OpH2O62d -> H3Op + 6H2O, energy = 0.18310480545600002 | 20: OHmH2O -> OHm + H2O, energy = 0.042389798304000005 | 21: OHmH2O2 -> OHm + 2H2O, energy = 0.077130309696 | 22: OHmH2O3 -> OHm + 3H2O, energy = 0.107727457344 | 23: OHmH2O4c4 -> OHm + 4H2O, energy = 0.135137402112 | 24: OHmH2O4cs -> OHm + 4H2O, energy = 0.135137402112 | 25: OHmH2O5 -> OHm + 5H2O, energy = 0.160475665008 | 26: OHmH2O6 -> OHm + 6H2O, energy = 0.184379686608 | 27: H2O8s4 -> H3OpH2O6OHm, energy = 0.04541764104