GMTKN55 C60ISO

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

9 7 6 1 10 8 4 3 2 5

Reactions

1: 1 -> 2, energy = 0.059600693855999996

2: 1 -> 3, energy = 0.0906281138928

3: 1 -> 4, energy = 0.0906599859216

4: 1 -> 5, energy = 0.1113768046416

5: 1 -> 6, energy = 0.16012507269120002

6: 1 -> 7, energy = 0.1780371528768

7: 1 -> 8, energy = 0.22657825273920001

8: 1 -> 9, energy = 0.22941486330240002

9: 1 -> 10, energy = 0.2627530054272