GMTKN55 S66
-----------
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
| J. Řezáč, K. E. Riley and P. Hobza, J. Chem. Theory Comput., 2011, 7, 2427-2438: https://doi.org/10.1021/ct2002946

Molecules
^^^^^^^^^
36B
61
39A
59
66
16A
50
19B
50B
57
03
13B
04
55A
32
33A
35
56
35B
51
58
53B
15A
60
34
56A
33
59B
10B
05
02
30A
04A
42B
24B
62A
21A
01B
48B
47A
41B
08B
07A
28A
61A
27B
64B
22A
44A
02B
23B
65A
03A
45B
06B
09A
40A
26A
60B
29B
66A
20B
46B
49A
43A
05B
63B
25A
11A
58A
20
18
57B
27
31B
11
29
16
42
34A
45
14B
52A
28
54B
17
12A
10
19
26
32B
21
38B
37A
44
51A
18A
43
17B
07
55B
38
13A
36
09
31
33B
39B
65
36A
62
19A
50A
54
16B
53
30
59A
10A
37
56B
08
01
30B
06
39
35A
52
55
15B
63
53A
64
21B
47B
01A
48A
42A
04B
62B
24A
22B
64A
02A
44B
07B
41A
08A
27A
28B
61B
09B
40B
06A
60A
29A
26B
65B
23A
45A
03B
05A
43B
25B
63A
20A
66B
49B
46A
46
41
34B
52B
48
14A
57A
24
11B
58B
23
15
31A
12
37B
49
38A
40
17A
47
51B
18B
12B
13
54A
14
32A
22
25

Reactions
^^^^^^^^^
| 1: 01 -> 01A + 01B, energy = 0.0078405190848
| 2: 02 -> 02A + 02B, energy = 0.0089082320496
| 3: 03 -> 03A + 03B, energy = 0.0110117859504
| 4: 04 -> 04A + 04B, energy = 0.012908171664
| 5: 05 -> 05A + 05B, energy = 0.0091791442944
| 6: 06 -> 06A + 06B, energy = 0.012031690872
| 7: 07 -> 07A + 07B, energy = 0.013115339851200001
| 8: 08 -> 08A + 08B, energy = 0.0079839432144
| 9: 09 -> 09A + 09B, energy = 0.0048764204064
| 10: 10 -> 10A + 10B, energy = 0.0066293819904
| 11: 11 -> 11A + 11B, energy = 0.0086373198048
| 12: 12 -> 12A + 12B, energy = 0.0115854824688
| 13: 13 -> 13A + 13B, energy = 0.0098643929136
| 14: 14 -> 14A + 14B, energy = 0.011872330728000001
| 15: 15 -> 15A + 15B, energy = 0.013752780427200002
| 16: 16 -> 16A + 16B, energy = 0.0081592393728
| 17: 17 -> 17A + 17B, energy = 0.0273780727392
| 18: 18 -> 18A + 18B, energy = 0.010932105878400001
| 19: 19 -> 19A + 19B, energy = 0.0118085866704
| 20: 20 -> 20A + 20B, energy = 0.0304218514896
| 21: 21 -> 21A + 21B, energy = 0.025911959414400002
| 22: 22 -> 22A + 22B, energy = 0.031059292065599996
| 23: 23 -> 23A + 23B, energy = 0.030581211633600003
| 24: 24 -> 24A + 24B, energy = 0.0044939560608
| 25: 25 -> 25A + 25B, energy = 0.006215045616
| 26: 26 -> 26A + 26B, energy = 0.0156651021552
| 27: 27 -> 27A + 27B, energy = 0.0054819889536
| 28: 28 -> 28A + 28B, energy = 0.0090994642224
| 29: 29 -> 29A + 29B, energy = 0.010868361820800001
| 30: 30 -> 30A + 30B, energy = 0.0022788500591999997
| 31: 31 -> 31A + 31B, energy = 0.0053863728672
| 32: 32 -> 32A + 32B, energy = 0.005960069385600001
| 33: 33 -> 33A + 33B, energy = 0.0029800346928000004
| 34: 34 -> 34A + 34B, energy = 0.0060238134431999995
| 35: 35 -> 35A + 35B, energy = 0.0041592997584
| 36: 36 -> 36A + 36B, energy = 0.0028366105632
| 37: 37 -> 37A + 37B, energy = 0.003824643456
| 38: 38 -> 38A + 38B, energy = 0.00478080432
| 39: 39 -> 39A + 39B, energy = 0.0057050931552
| 40: 40 -> 40A + 40B, energy = 0.004621444176
| 41: 41 -> 41A + 41B, energy = 0.007728966984
| 42: 42 -> 42A + 42B, energy = 0.0065975099616
| 43: 43 -> 43A + 43B, energy = 0.0059122613424
| 44: 44 -> 44A + 44B, energy = 0.0032031388943999997
| 45: 45 -> 45A + 45B, energy = 0.00278880252
| 46: 46 -> 46A + 46B, energy = 0.006788742134399999
| 47: 47 -> 47A + 47B, energy = 0.0045895721472
| 48: 48 -> 48A + 48B, energy = 0.0056413490976000005
| 49: 49 -> 49A + 49B, energy = 0.0053066927952000005
| 50: 50 -> 50A + 50B, energy = 0.0045736361328
| 51: 51 -> 51A + 51B, energy = 0.0024222741888000002
| 52: 52 -> 52A + 52B, energy = 0.0075058627824
| 53: 53 -> 53A + 53B, energy = 0.0069481022784
| 54: 54 -> 54A + 54B, energy = 0.0052270127231999995
| 55: 55 -> 55A + 55B, energy = 0.006677190033600001
| 56: 56 -> 56A + 56B, energy = 0.0051473326512
| 57: 57 -> 57A + 57B, energy = 0.008414215603200001
| 58: 58 -> 58A + 58B, energy = 0.006613445976
| 59: 59 -> 59A + 59B, energy = 0.004541764104
| 60: 60 -> 60A + 60B, energy = 0.0077608390128
| 61: 61 -> 61A + 61B, energy = 0.0046373801904
| 62: 62 -> 62A + 62B, energy = 0.0056254130832
| 63: 63 -> 63A + 63B, energy = 0.006055685472
| 64: 64 -> 64A + 64B, energy = 0.00478080432
| 65: 65 -> 65A + 65B, energy = 0.0063584697456
| 66: 66 -> 66A + 66B, energy = 0.0063265977168