GMTKN55 WATER27
---------------
References
^^^^^^^^^^
| GMTKN55: https://www.chemie.uni-bonn.de/grimme/de/software/gmtkn/gmtkn55
| L. Goerigk, A. Hansen. C. A. Bauer, S. Ehrlich, A. Najibi and S. Grimme in Phys. Chem. Chem. Phys., 2017: https://doi.org/10.1039/C7CP04913G

Molecules
^^^^^^^^^
H2O
H3OpH2O62d
H2O20es
H2O6
H2O6c2
H2O20fs
OHm
OHmH2O4cs
H3OpH2O2
H2O20
H3OpH2O3
H2O8d2d
H3Op
OHmH2O6
OHmH2O4c4
H2O20fc
H3OpH2O
H2O2
H2O5
H2O4
H2O3
H2O6c
OHmH2O
H2O8s4
H2O6b
OHmH2O2
OHmH2O5
H3OpH2O63d
OHmH2O3
H3OpH2O6OHm

Reactions
^^^^^^^^^
| 1: H2O2 -> 2H2O, energy = 0.00792657356256
| 2: H2O3 -> 3H2O, energy = 0.02503229141952
| 3: H2O4 -> 4H2O, energy = 0.04358978018832
| 4: H2O5 -> 5H2O, energy = 0.057176826065759995
| 5: H2O6 -> 6H2O, energy = 0.07328654302272
| 6: H2O6c -> 6H2O, energy = 0.07288017465551999
| 7: H2O6b -> 6H2O, energy = 0.07217739642048
| 8: H2O6c2 -> 6H2O, energy = 0.07059016938624
| 9: H2O8d2d -> 8H2O, energy = 0.11552016838559999
| 10: H2O8s4 -> 8H2O, energy = 0.11546279873375999
| 11: H2O20 -> 20H2O, energy = 0.31522073923776
| 12: H2O20fc -> 20H2O, energy = 0.33072648124896
| 13: H2O20fs -> 20H2O, energy = 0.33109141597872
| 14: H2O20es -> 20H2O, energy = 0.33319178267664
| 15: H3OpH2O -> H3Op + H2O, energy = 0.05376492538272
| 16: H3OpH2O2 -> H3Op + 2H2O, energy = 0.09101695264416
| 17: H3OpH2O3 -> H3Op + 3H2O, energy = 0.1223168785272
| 18: H3OpH2O63d -> H3Op + 6H2O, energy = 0.18753979826352002
| 19: H3OpH2O62d -> H3Op + 6H2O, energy = 0.18297572373936
| 20: OHmH2O -> OHm + H2O, energy = 0.04252844162928
| 21: OHmH2O2 -> OHm + 2H2O, energy = 0.07758926691072
| 22: OHmH2O3 -> OHm + 3H2O, energy = 0.10760793723600001
| 23: OHmH2O4c4 -> OHm + 4H2O, energy = 0.13442187506544
| 24: OHmH2O4cs -> OHm + 4H2O, energy = 0.1354800264216
| 25: OHmH2O5 -> OHm + 5H2O, energy = 0.16060634032608
| 26: OHmH2O6 -> OHm + 6H2O, energy = 0.18433506576768
| 27: H2O8s4 -> H3OpH2O6OHm, energy = 0.0471785706312