GMTKN55 SCONF
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
L. Goerigk; S. Grimme, J. Chem. Theory Comput., 2010, 6, 107-126: https://doi.org/10.1021/ct900489g
Molecules
G1 C14 C13 C7 C9 C12 C15 C8 C1 C6 G2 G4 G3 C3 C4 C10 C5 C2 C11
Reactions
1: C1 -> C2, energy = 0.0013704972384
2: C1 -> C3, energy = 0.0036334112832
3: C1 -> C4, energy = 0.0049082924352
4: C1 -> C5, energy = 0.007330566623999999
5: C1 -> C6, energy = 0.0077608390128
6: C1 -> C7, energy = 0.0066293819904
7: C1 -> C8, energy = 0.0069799743072
8: C1 -> C9, energy = 0.0098643929136
9: C1 -> C10, energy = 0.0098484568992
10: C1 -> C11, energy = 0.009003848136000001
11: C1 -> C12, energy = 0.0089082320496
12: C1 -> C13, energy = 0.009450056539199999
13: C1 -> C14, energy = 0.0100556250864
14: C1 -> C15, energy = 0.0099122009568
15: G1 -> G2, energy = 0.000318720288
16: G1 -> G3, energy = 0.0098165848704
17: G1 -> G4, energy = 0.0088285519776