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