GMTKN55 AHB21
References
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
16A 19B 3B 9B 13B 6A 15A 5A 10B 21A 20B 11A 20 18 4B 9 11 7 16 14B 1A 6 17 7B 12A 1 8A 10 19 8 21 2A 18A 17B 6B 9A 13A 19A 3A 16B 10A 5B 15B 21B 20A 1B 14A 4A 11B 4 15 3 12 17A 2B 18B 12B 2 8B 13 5 7A 14
Reactions
1: 1A + 1B -> 1, energy = -0.0283501696176
2: 2A + 2B -> 2, energy = -0.0517920468
3: 3A + 3B -> 3, energy = -0.10466774257920002
4: 4A + 4B -> 4, energy = -0.0143105409312
5: 5A + 5B -> 5, energy = -0.0248761184784
6: 6A + 6B -> 6, energy = -0.0406687087488
7: 7A + 7B -> 7, energy = -0.022868180664
8: 8A + 8B -> 8, energy = -0.0665966041776
9: 9A + 9B -> 9, energy = -0.0271390325232
10: 10A + 10B -> 10, energy = -0.0594572697264
11: 11A + 11B -> 11, energy = -0.0127010034768
12: 12A + 12B -> 12, energy = -0.022517588347200003
13: 13A + 13B -> 13, energy = -0.0414495734544
14: 14A + 14B -> 14, energy = -0.0176411679408
15: 15A + 15B -> 15, energy = -0.013736844412799999
16: 16A + 16B -> 16, energy = -0.025067350651200002
17: 17A + 17B -> 17, energy = -0.041816101785599996
18: 18A + 18B -> 18, energy = -0.020398098432
19: 19A + 19B -> 19, energy = -0.032907869735999996
20: 20A + 20B -> 20, energy = -0.033513438283200005
21: 21A + 21B -> 21, energy = -0.050039085216