GMTKN30 ISO34
References
L. Goerigk, and S. Grimme in Phys. J. Chem. Theory Comput., 2011: https://doi.org/10.1021/ct100466k
Molecules
P15 P32 E5 P28 P20 P2 P10 E22 E10 E32 P3 E23 E16 E33 P12 P30 P8 E26 E9 E4 E28 P18 P1 P29 E34 P11 E1 P6 E24 E15 E29 P25 P34 P26 P17 E12 P9 P21 P7 E25 P13 E7 P31 E14 E8 E13 E21 E18 E20 E3 P14 P24 E19 E11 P27 P33 P16 E17 P4 E30 P23 E31 E27
Reactions
1: E1 -> P1, energy = 0.0025816343328000004
2: E1 -> P2, energy = 0.0348679995072
3: E3 -> P3, energy = 0.011473930368
4: E4 -> P4, energy = 0.0015776654256
5: E5 -> E4, energy = 0.0014820493392000002
6: E4 -> P6, energy = 0.0041752357728000004
7: E7 -> P7, energy = 0.017768656056
8: E8 -> P8, energy = 0.036493472975999995
9: E9 -> P9, energy = 0.0110595939936
10: E10 -> P10, energy = 0.0057050931552
11: E11 -> P11, energy = 0.0030437787504
12: E12 -> P12, energy = 0.074819587608
13: E13 -> P13, energy = 0.0574333958976
14: E14 -> P14, energy = 0.038565154848
15: E15 -> P15, energy = 0.0115695464544
16: E16 -> P16, energy = 0.0172268315664
17: E17 -> P17, energy = 0.0429953668512
18: E18 -> P18, energy = 0.0177845920704
19: E19 -> E20, energy = 0.007330566623999999
20: E20 -> P20, energy = 0.0322385571312
21: E21 -> P21, energy = 0.0014979853535999998
22: E22 -> E21, energy = 0.0051473326512
23: E23 -> P23, energy = 0.0083823435744
24: E24 -> P24, energy = 0.0199518900288
25: E25 -> P25, energy = 0.0422145021456
26: E26 -> P26, energy = 0.028939802150400002
27: E27 -> P27, energy = 0.1022614044048
28: E28 -> P28, energy = 0.0497522369568
29: E29 -> P29, energy = 0.018963857136
30: E30 -> P30, energy = 0.01513921368
31: E31 -> P31, energy = 0.022390100232000002
32: E32 -> P32, energy = 0.011314570224
33: E33 -> P33, energy = 0.0089560400928
34: E34 -> P34, energy = 0.0115695464544