GMTKN55 ISOL24
References
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
i22e i22p i21e i21p i5p i15p i15e i5e i6p i16p i16e i6e i12p i18e i8e i2p i8p i2e i12e i18p i11p i1p i1e i11e i24e i24p i10p i10e i13p i19e i9e i3p i9p i3e i13e i19p i7p i17p i17e i7e i4p i14p i14e i4e i20e i20p i23e i23p
Reactions
1: i1e -> i1p, energy = 0.11316163825440001
2: i2e -> i2p, energy = 0.06135365544
3: i3e -> i3p, energy = 0.0170355993936
4: i4e -> i4p, energy = 0.1100063074032
5: i5e -> i5p, energy = 0.0527163356352
6: i6e -> i6p, energy = 0.0388998111504
7: i7e -> i7p, energy = 0.028493593747199997
8: i8e -> i8p, energy = 0.035122975737599996
9: i9e -> i9p, energy = 0.0336090543696
10: i10e -> i10p, energy = 0.010342473345600001
11: i11e -> i11p, energy = 0.058803893136
12: i12e -> i12p, energy = 0.0006693126047999999
13: i13e -> i13p, energy = 0.05262071954880001
14: i14e -> i14p, energy = 0.0084779596608
15: i15e -> i15p, energy = 0.0065975099616
16: i16e -> i16p, energy = 0.03665283312
17: i17e -> i17p, energy = 0.0156651021552
18: i18e -> i18p, energy = 0.0384695387616
19: i19e -> i19p, energy = 0.0287485699776
20: i20e -> i20p, energy = 0.0079201991568
21: i21e -> i21p, energy = 0.018963857136
22: i22p -> i22e, energy = 0.00022310420160000002
23: i23e -> i23p, energy = 0.0392185314384
24: i24e -> i24p, energy = 0.024541462176