GMTKN30 PA

References

GMTKN30: https://www.chemie.uni-bonn.de/grimme/de/software/gmtkn/gmtkn30

L. Goerigk, and S. Grimme in Phys. J. Chem. Theory Comput., 2011: https://doi.org/10.1021/ct100466k

Molecules

h2op c2h2 ph3 p8 h2 hclp sih4p p6p p4 nh3p h2sp p2 p6 nh3 c2h2p sih4 ph3p p8p h2p hcl p4p p2p h2o h2s

Reactions

1: p2p -> p2, energy = 0.267406321632

2: p4p -> p4, energy = 0.308202518496

3: p6p -> p6, energy = 0.334178221968

4: p8p -> p8, energy = 0.350114236368

5: nh3p -> nh3, energy = 0.33768414513600004

6: h2op -> h2o, energy = 0.273462007104

7: c2h2p -> c2h2, energy = 0.250832866656

8: sih4p -> sih4, energy = 0.24987670579200003

9: ph3p -> ph3, energy = 0.307086997488

10: h2sp -> h2s, energy = 0.27760537084799997

11: hclp -> hcl, energy = 0.21959827843200003

12: h2p -> h2, energy = 0.169399833072