GMTKN55 PArel
-------------
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
^^^^^^^^^
h2s2o71
s4o42
c2h2f41
his3
sugar2
A2
his2
sugar3
sugar4
h4p2o71
aminocoohbz2
aminocoohbz3
arg2
c2cl43
T2
c2cl42
T3
h2s2o72
s4o41
A0
c2h2f42
his0
sugar0
his1
A1
arg0
h4p2o72
aminocoohbz1
T1
T0
c2cl41

Reactions
^^^^^^^^^
| 1: A0 -> A1, energy = 0.0025656983184000003
| 2: A0 -> A2, energy = 0.013545612240000001
| 3: T1 -> T0, energy = 0.0046851882336
| 4: T1 -> T2, energy = 0.0099122009568
| 5: T1 -> T3, energy = 0.0114579943536
| 6: arg2 -> arg0, energy = 0.0037927714271999997
| 7: his1 -> his2, energy = 0.0018963857135999998
| 8: his1 -> his0, energy = 0.0012589451376
| 9: his1 -> his3, energy = 0.011234890152
| 10: sugar0 -> sugar2, energy = 0.0047489322912
| 11: sugar0 -> sugar4, energy = 0.0054341809104000004
| 12: sugar0 -> sugar3, energy = 0.0051154606224
| 13: aminocoohbz2 -> aminocoohbz1, energy = 0.000956160864
| 14: aminocoohbz2 -> aminocoohbz3, energy = 0.0114898663824
| 15: h4p2o71 -> h4p2o72, energy = 0.0037608993984
| 16: h2s2o71 -> h2s2o72, energy = 0.028493593747199997
| 17: s4o42 -> s4o41, energy = 0.017848336128
| 18: c2h2f41 -> c2h2f42, energy = 0.0020238738288000002
| 19: c2cl43 -> c2cl42, energy = 0.0039361955568
| 20: c2cl43 -> c2cl41, energy = 0.003426243096