GMTKN55 PNICO23
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 22a 23b 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 22b 23a 20a 1b 14a 4a 11b 23 4 15 3 12 17a 2b 18b 12b 2 8b 13 5 7a 14 22
Reactions
1: 1 -> 1a + 1b, energy = 0.0022788500591999997
2: 2 -> 2a + 2b, energy = 0.0127806835488
3: 3 -> 3a + 3b, energy = 0.0010199049216
4: 4 -> 4a + 4b, energy = 0.006788742134399999
5: 5 -> 5a + 5b, energy = 0.0045577001183999995
6: 6 -> 6a + 6b, energy = 0.0021035539008000003
7: 7 -> 7a + 7b, energy = 0.0068365501776
8: 8 -> 8a + 8b, energy = 0.0041911717872
9: 9 -> 9a + 9b, energy = 0.0078245830704
10: 10 -> 10a + 10b, energy = 0.0035218591824
11: 11 -> 11a + 11b, energy = 0.002231042016
12: 12 -> 12a + 12b, energy = 0.0041752357728000004
13: 13 -> 13a + 13b, energy = 0.0063425337312
14: 14 -> 14a + 14b, energy = 0.006533765903999999
15: 15 -> 15a + 15b, energy = 0.0069162302496
16: 16 -> 16a + 16b, energy = 0.0028366105632
17: 17 -> 17a + 17b, energy = 0.011314570224
18: 18 -> 18a + 18b, energy = 0.0037449633840000002
19: 19 -> 19a + 19b, energy = 0.009481928568
20: 20 -> 20a + 20b, energy = 0.0130356597792
21: 21 -> 21a + 21b, energy = 0.0078405190848
22: 22 -> 22a + 22b, energy = 0.0127966195632
23: 23 -> 23a + 23b, energy = 0.017481807796800003