GMTKN55 MCONF ------------- 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 ^^^^^^^^^ 50 32 35 51 34 33 20 18 27 9 11 7 29 16 42 45 6 28 17 1 10 19 26 8 21 44 43 38 36 31 30 37 39 52 46 41 48 24 23 4 15 3 12 49 40 47 2 13 5 14 22 25 Reactions ^^^^^^^^^ | 1: 1 -> 2, energy = 0.0006215045616000001 | 2: 1 -> 3, energy = 0.0027728665056 | 3: 1 -> 4, energy = 0.0018485776704 | 4: 1 -> 5, energy = 0.0035059231680000004 | 5: 1 -> 6, energy = 0.0035059231680000004 | 6: 1 -> 7, energy = 0.0042708518592 | 7: 1 -> 8, energy = 0.0046533162048 | 8: 1 -> 9, energy = 0.0035537312112 | 9: 1 -> 10, energy = 0.0045258280896 | 10: 1 -> 11, energy = 0.006756870105600001 | 11: 1 -> 12, energy = 0.007091526408 | 12: 1 -> 13, energy = 0.005736965184 | 13: 1 -> 14, energy = 0.00358560324 | 14: 1 -> 15, energy = 0.005960069385600001 | 15: 1 -> 16, energy = 0.0079680072 | 16: 1 -> 17, energy = 0.0081433033584 | 17: 1 -> 18, energy = 0.0050676525792 | 18: 1 -> 19, energy = 0.0061034935152000005 | 19: 1 -> 20, energy = 0.006055685472 | 20: 1 -> 21, energy = 0.0049561004784 | 21: 1 -> 22, energy = 0.0083982795888 | 22: 1 -> 23, energy = 0.0084620236464 | 23: 1 -> 24, energy = 0.00717120648 | 24: 1 -> 25, energy = 0.006135365544 | 25: 1 -> 26, energy = 0.007250886552 | 26: 1 -> 27, energy = 0.007585542854399999 | 27: 1 -> 28, energy = 0.0069640382928 | 28: 1 -> 29, energy = 0.0083982795888 | 29: 1 -> 30, energy = 0.0090357201648 | 30: 1 -> 31, energy = 0.0077449029984 | 31: 1 -> 32, energy = 0.009944072985600001 | 32: 1 -> 33, energy = 0.0099759450144 | 33: 1 -> 34, energy = 0.009322568424 | 34: 1 -> 35, energy = 0.0085576397328 | 35: 1 -> 36, energy = 0.0088126159632 | 36: 1 -> 37, energy = 0.0119998188432 | 37: 1 -> 38, energy = 0.0093703764672 | 38: 1 -> 39, energy = 0.0088922960352 | 39: 1 -> 40, energy = 0.0111233380512 | 40: 1 -> 41, energy = 0.011266762180800001 | 41: 1 -> 42, energy = 0.0101831132016 | 42: 1 -> 43, energy = 0.0116651625408 | 43: 1 -> 44, energy = 0.0117767146416 | 44: 1 -> 45, energy = 0.0098484568992 | 45: 1 -> 46, energy = 0.012461963260800001 | 46: 1 -> 47, energy = 0.0125735153616 | 47: 1 -> 48, energy = 0.0107408737056 | 48: 1 -> 49, energy = 0.013051595793599999 | 49: 1 -> 50, energy = 0.013067531807999999 | 50: 1 -> 51, energy = 0.011601418483200001 | 51: 1 -> 52, energy = 0.0139440126