GMTKN55 TAUT15

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

3b 9b 6a 3c 3d 5a 10b 4b 1a 7b 8a 2a 6b 9a 5c 3a 10a 5b 6d 6c 1b 4a 2b 8b 7a

Reactions

1: 1a -> 1b, energy = 0.006852486192

2: 2a -> 2b, energy = 0.010454025446399999

3: 3a -> 3b, energy = -0.008669191833600001

4: 3a -> 3c, energy = 0.00836640756

5: 3a -> 3d, energy = 0.020764626763199998

6: 4a -> 4b, energy = 0.0014820493392000002

7: 5a -> 5b, energy = 0.0011792650656

8: 5a -> 5c, energy = 0.002310722088

9: 6a -> 6b, energy = -0.00027091224480000004

10: 6a -> 6c, energy = -0.0013864332528

11: 6a -> 6d, energy = 0.004541764104

i12: 7a -> 7b, energy = 0.003426243096

13: 8a -> 8b, energy = 0.0008764807920000001

14: 9a -> 9b, energy = 0.001513921368

15: 10a -> 10b, energy = -0.000717120648