GMTKN55 ISO34

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

P4 P3 P2 P26 P21 P28 P17 E32 P10 P11 E34 P29 E33 P16 P20 P18 P27 E5 E20 E27 E18 E11 P34 P33 E16 E29 E3 E4 E17 P32 E28 E10 E26 E19 E21 P7 P9 P8 P6 P1 P25 P13 P14 E31 E30 P15 P12 P24 P23 E24 E23 P30 E15 E12 E1 E8 E13 E14 P31 E22 E25 E9 E7

Reactions

1: E1 -> P1, energy = 0.0023744661456

2: E1 -> P2, energy = 0.0372265296384

3: E3 -> P3, energy = 0.0115854824688

4: E4 -> P4, energy = 0.0016892175264000002

5: E5 -> E4, energy = 0.0019601297712

6: E4 -> P6, energy = 0.0039680675856

7: E7 -> P7, energy = 0.017768656056

8: E8 -> P8, energy = 0.0359994565296

9: E9 -> P9, energy = 0.0104221534176

10: E10 -> P10, energy = 0.006055685472

11: E11 -> P11, energy = 0.0025178902752

12: E12 -> P12, energy = 0.072747905736

13: E13 -> P13, energy = 0.058724213064000004

14: E14 -> P14, energy = 0.039170723395199995

15: E15 -> P15, energy = 0.01314721188

16: E16 -> P16, energy = 0.0159678864288

17: E17 -> P17, energy = 0.0454335770544

18: E18 -> P18, energy = 0.0186132648192

19: E19 -> E20, energy = 0.0072986945952

20: E20 -> P20, energy = 0.028876058092800003

21: E21 -> P21, energy = 0.0018485776704

22: E22 -> E21, energy = 0.007410246696

23: E23 -> P23, energy = 0.0088285519776

24: E24 -> P24, energy = 0.0195375536544

25: E25 -> P25, energy = 0.0416567416416

26: E26 -> P26, energy = 0.0273143286816

27: E27 -> P27, energy = 0.10527331112640001

28: E28 -> P28, energy = 0.049815981014400004

29: E29 -> P29, energy = 0.020796498792

30: E30 -> P30, energy = 0.0159041423712

31: E31 -> P31, energy = 0.0242705499312

32: E32 -> P32, energy = 0.0105815135616

33: E33 -> P33, energy = 0.013864332528

34: E34 -> P34, energy = 0.010788681748799999