GMTKN55 PX13
------------
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
nh3_2_ts
nh3_3_ts
h2o_6
hf_5_ts
h2o_6_ts
h2o_2_ts
h2o_3_ts
hf_3
hf_4
hf_5
hf_2
hf_4_ts
hf_3_ts
h2o_4_ts
hf_6_ts
h2o_5_ts
hf
hf_2_ts
h2o_2
nh3_4_ts
h2o_5
nh3
h2o_4
h2o_3
nh3_3
nh3_4
hf_6
nh3_2

Reactions
^^^^^^^^^
| 1: nh3_2 -> nh3_2_ts, energy = 0.094500565392
| 2: nh3_3 -> nh3_3_ts, energy = 0.074739907536
| 3: nh3_4 -> nh3_4_ts, energy = 0.077130309696
| 4: h2o_2 -> h2o_2_ts, energy = 0.07744902998400001
| 5: h2o_3 -> h2o_3_ts, energy = 0.047489322912000004
| 6: h2o_4 -> h2o_4_ts, energy = 0.042389798304000005
| 7: h2o_5 -> h2o_5_ts, energy = 0.047967403344
| 8: h2o_6 -> h2o_6_ts, energy = 0.055935410544
| 9: hf_2 -> hf_2_ts, energy = 0.067409340912
| 10: hf_3 -> hf_3_ts, energy = 0.032987549808
| 11: hf_4 -> hf_4_ts, energy = 0.023425941167999998
| 12: hf_5 -> hf_5_ts, energy = 0.023266581024
| 13: hf_6 -> hf_6_ts, energy = 0.026453783904