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S66 reference data

Taken from J. Řezáč, K. E. Riley and P. Hobza, J. Chem. Theory Comput., 2011, 7, 2427-2438.
All values are in kcal/mol.

For each reaction, the relevant systems' names, the stoichiometry and the reference value are given.
The systems' names refer to the geometry files.
Negative values in the stoichiometry columns refer to reactants, positive values to products.
Example for reaction 1: 1 x (Total Energy of "01A") + 1 x (Total Energy of "01B") - 1 x (Total Energy of "01") = 4.92

/table>
# Systems Stoichiometry Ref.
1 01A 01B 01 1 1 -1 4.92
2 02A 02B 02 1 1 -1 5.59
3 03A 03B 03 1 1 -1 6.91
4 04A 04B 04 1 1 -1 8.10
5 05A 05B 05 1 1 -1 5.76
6 06A 06B 06 1 1 -1 7.55
7 07A 07B 07 1 1 -1 8.23
8 08A 08B 08 1 1 -1 5.01
9 09A 09B 09 1 1 -1 3.06
10 10A 10B 10 1 1 -1 4.16
11 11A 11B 11 1 1 -1 5.42
12 12A 12B 12 1 1 -1 7.27
13 13A 13B 13 1 1 -1 6.19
14 14A 14B 14 1 1 -1 7.45
15 15A 15B 15 1 1 -1 8.63
16 16A 16B 16 1 1 -1 5.12
17 17A 17B 17 1 1 -1 17.18
18 18A 18B 18 1 1 -1 6.86
19 19A 19B 19 1 1 -1 7.41
20 20A 20B 20 1 1 -1 19.09
21 21A 21B 21 1 1 -1 16.26
22 22A 22B 22 1 1 -1 19.49
23 23A 23B 23 1 1 -1 19.19
24 24A 24B 24 1 1 -1 2.82
25 25A 25B 25 1 1 -1 3.90
26 26A 26B 26 1 1 -1 9.83
27 27A 27B 27 1 1 -1 3.44
28 28A 28B 28 1 1 -1 5.71
29 29A 29B 29 1 1 -1 6.82
30 30A 30B 30 1 1 -1 1.43
31 31A 31B 31 1 1 -1 3.38
32 32A 32B 32 1 1 -1 3.74
33 33A 33B 33 1 1 -1 1.87
34 34A 34B 34 1 1 -1 3.78
35 35A 35B 35 1 1 -1 2.61
36 36A 36B 36 1 1 -1 1.78
37 37A 37B 37 1 1 -1 2.40
38 38A 38B 38 1 1 -1 3.00
39 39A 39B 39 1 1 -1 3.58
40 40A 40B 40 1 1 -1 2.90
41 41A 41B 41 1 1 -1 4.85
42 42A 42B 42 1 1 -1 4.14
43 43A 43B 43 1 1 -1 3.71
44 44A 44B 44 1 1 -1 2.01
45 45A 45B 45 1 1 -1 1.75
46 46A 46B 46 1 1 -1 4.26
47 47A 47B 47 1 1 -1 2.88
48 48A 48B 48 1 1 -1 3.54
49 49A 49B 49 1 1 -1 3.33
50 50A 50B 50 1 1 -1 2.87
51 51A 51B 51 1 1 -1 1.52
52 52A 52B 52 1 1 -1 4.71
53 53A 53B 53 1 1 -1 4.36
54 54A 54B 54 1 1 -1 3.28
55 55A 55B 55 1 1 -1 4.19
56 56A 56B 56 1 1 -1 3.23
57 57A 57B 57 1 1 -1 5.28
58 58A 58B 58 1 1 -1 4.15
59 59A 59B 59 1 1 -1 2.85
60 60A 60B 60 1 1 -1 4.87
61 61A 61B 61 1 1 -1 2.91
62 62A 62B 62 1 1 -1 3.53
63 63A 63B 63 1 1 -1 3.80
64 64A 64B 64 1 1 -1 3.00
65 65A 65B 65 1 1 -1 3.99
66 66A 66B 66 1 1 -1 3.97