GMTKN55 CDIE20
--------------
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
^^^^^^^^^
P26
R25
R22
P44
R49
P43
R47
R40
P20
R46
P45
R48
P60
R52
P56
P51
P40
P47
R43
R44
P49
P22
R28
P25
R21
R26
R45
P48
P46
R20
R29
R51
R56
P52
R60
R57

Reactions
^^^^^^^^^
| 1: R20 -> P20, energy = -0.005258884752
| 2: R21 -> P20, energy = 0.007011846336000001
| 3: R22 -> P22, energy = -0.009402248496
| 4: R25 -> P25, energy = -0.007649286912
| 5: R26 -> P26, energy = -0.0039840036
| 6: R28 -> P26, energy = 0.00637440576
| 7: R29 -> P25, energy = 0.00717120648
| 8: R40 -> P40, energy = 0.002709122448
| 9: R43 -> P43, energy = 0.004621444176
| 10: R44 -> P44, energy = 0.005896325328
| 11: R45 -> P45, energy = 0.001912321728
| 12: R46 -> P46, energy = 0.005896325328
| 13: R47 -> P47, energy = 0.006055685472
| 14: R48 -> P48, energy = 0.007011846336000001
| 15: R49 -> P49, energy = 0.0066931260480000004
| 16: R51 -> P51, energy = 0.002549762304
| 17: R52 -> P52, energy = 0.0066931260480000004
| 18: R56 -> P56, energy = 0.009402248496
| 19: R57 -> P51, energy = 0.009242888352
| 20: R60 -> P60, energy = 0.013704972384