GMTKN55 YBDE18

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

h2s f2s pf3 pf3-ch2 nme3-cbh22 pme3-cbh22 f2s-ch2 me2s-cbh22 ph3 nf3-ch2 pme3 h2s-cbh22 ch2 nh3-cbh22 nh3-ch2 nme3-ch2 nf3 nf3-cbh22 nme3 h2s-ch2 ph3-ch2 cbh22 me2s-ch2 nh3 pf3-cbh22 ph3-cbh22 pme3-ch2 f2s-cbh22 me2s

Reactions

1: f2s-cbh22 -> f2s + cbh22, energy = 0.09110619432480001

2: f2s-ch2 -> f2s + ch2, energy = 0.1452408352416

3: h2s-cbh22 -> h2s + cbh22, energy = 0.033401886182400004

4: h2s-ch2 -> h2s + ch2, energy = 0.058007092416

5: me2s-cbh22 -> me2s + cbh22, energy = 0.0621345201456

6: me2s-ch2 -> me2s + ch2, energy = 0.08245293850560001

7: nf3-cbh22 -> nf3 + cbh22, energy = 0.0196172337264

8: nf3-ch2 -> nf3 + ch2, energy = 0.0856242053712

9: nh3-cbh22 -> nh3 + cbh22, energy = 0.051919534915199995

10: nh3-ch2 -> nh3 + ch2, energy = 0.0460072735728

11: nme3-cbh22 -> nme3 + cbh22, energy = 0.0671065566384

12: nme3-ch2 -> nme3 + ch2, energy = 0.06822207764640001

13: pf3-cbh22 -> pf3 + cbh22, energy = 0.0833134832832

14: pf3-ch2 -> pf3 + ch2, energy = 0.12170334197280001

15: ph3-cbh22 -> ph3 + cbh22, energy = 0.071393344512

16: ph3-ch2 -> ph3 + ch2, energy = 0.0957913825584

17: pme3-cbh22 -> pme3 + cbh22, energy = 0.10611791988960001

18: pme3-ch2 -> pme3 + ch2, energy = 0.12430091232