GMTKN30 PCONF
References
L. Goerigk, and S. Grimme in Phys. J. Chem. Theory Comput., 2011: https://doi.org/10.1021/ct100466k
Molecules
470 444 357 366 99 215 300 412 114 224 691
Reactions
1: 99 -> 444, energy = 0.00022310420160000002
2: 99 -> 357, energy = 0.001434241296
3: 99 -> 366, energy = 0.0018326416559999999
4: 99 -> 215, energy = 0.0012589451376
5: 99 -> 300, energy = 0.0020876178864000002
6: 99 -> 114, energy = 0.0029800346928000004
7: 99 -> 412, energy = 0.0037768354128000004
8: 99 -> 691, energy = 0.0032987549808
9: 99 -> 470, energy = 0.0039999396144
10: 99 -> 224, energy = 0.0032509469376