GMTKN30 S22
-----------
References
^^^^^^^^^^
| GMTKN30: https://www.chemie.uni-bonn.de/grimme/de/software/gmtkn/gmtkn30
| L. Goerigk, and S. Grimme in Phys. J. Chem. Theory Comput., 2011: https://doi.org/10.1021/ct100466k
| Jurecka, P.; Sponer, J.; Cerny, J.; Hobza, P. Phys. Chem. Chem. Phys. 2006, 8, 1985-1993: https://doi.org/10.1039/B600027D

Molecules
^^^^^^^^^
08a
20a
18
16b
08
09a
16
21
13a
16a
01
01a
15
17a
07
06
18a
05a
02b
06b
21b
21a
12
10
09
03
14b
18b
22b
04a
04
22a
11
20
17
02
02a
17b
14
19
06a
07b
03a
20b
07a
11a
22
12a
05
10b
14a
19a
10a
19b
15b
15a
13

Reactions
^^^^^^^^^
| 1: 01 -> 201a, energy = 0.0050517165648
| 2: 02 -> 202a, energy = 0.0079998792288
| 3: 03 -> 203a, energy = 0.029959707072000002
| 4: 04 -> 204a, energy = 0.025688855212800003
| 5: 05 -> 205a, energy = 0.0329716137936
| 6: 06 -> 06a + 06b, energy = 0.027091224480000002
| 7: 07 -> 07a + 07b, energy = 0.026676888105599997
| 8: 08 -> 208a, energy = 0.0008446087632000001
| 9: 09 -> 209a, energy = 0.00239040216
| 10: 10 -> 10a + 10b, energy = 0.002310722088
| 11: 11 -> 211a, energy = 0.0041752357728000004
| 12: 12 -> 212a, energy = 0.0066931260480000004
| 13: 13 -> 213a, energy = 0.0155216780256
| 14: 14 -> 14a + 14b, energy = 0.0073146306096
| 15: 15 -> 15a + 15b, energy = 0.0185813927904
| 16: 16 -> 16a + 16b, energy = 0.0024063381744
| 17: 17 -> 17a + 17b, energy = 0.0052429487376
| 18: 18 -> 18a + 18b, energy = 0.0036971553408
| 19: 19 -> 19a + 19b, energy = 0.007250886552
| 20: 20 -> 20a + 20b, energy = 0.0043186599024
| 21: 21 -> 21a + 21b, energy = 0.0089560400928
| 22: 22 -> 22a + 22b, energy = 0.0112986342096

Subsets of reactions
^^^^^^^^^^^^^^^^^^^^
small: ['2', '1', '8']