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W4-11 reference data

Taken from A. Karton, S. Daon, J. M. L. Martin and B. Ruscic, Chem. Phys. Lett., 2011, 510, 165-178, DOI.
(W4 values); 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 2: 1 x (Total Energy of "al") + 3 x (Total Energy of "h") - 1 x (Total Energy of "alh3") = 213.169

# Systems Stoichiometry Ref.
1 h2 h -1 2 109.493
2 alh3 al h -1 1 3 213.169
3 alh al h -1 1 1 73.570
4 sih4 si h -1 1 4 324.945
5 bh3 b h -1 1 3 281.287
6 bh b h -1 1 1 84.995
7 ch2-trip c h -1 1 2 190.745
8 sih si h -1 1 1 73.921
9 si2h6 si h -1 2 6 535.885
10 ch3 c h -1 1 3 307.870
11 ch4 c h -1 1 4 420.420
12 b2h6 b h -1 2 6 607.023
13 sih3f si h f -1 1 3 1 382.753
14 ph3 p h -1 1 3 242.267
15 c2h6 c h -1 2 6 713.080
16 propane c h -1 3 8 1007.909
17 ch2-sing c h -1 1 2 181.456
18 ch c h -1 1 1 84.221
19 h2s h s -1 2 1 183.913
20 hs h s -1 1 1 87.731
21 c2h5f c h f -1 2 5 1 721.502
22 ch3nh2 c n h -1 1 1 5 582.301
23 ch3f c f h -1 1 1 3 422.959
24 propene c h -1 3 6 861.578
25 nh3 n h -1 1 3 298.018
26 ethanol c o h -1 2 1 6 811.241
27 ch3nh c n h -1 1 1 4 474.629
28 c2h4 c h -1 2 4 564.095
29 methanol c o h -1 1 1 4 513.501
30 hcl h cl -1 1 1 107.499
31 nh2 n h -1 1 2 182.591
32 nh n h -1 1 1 83.096
33 ch2nh2 c n h -1 1 1 4 482.276
34 bhf2 b h f -1 1 1 2 410.973
35 h2o h o -1 2 1 232.974
36 hf h f -1 1 1 141.640
37 ch2ch c h -1 2 3 446.081
38 oh o h -1 1 1 107.208
39 propyne c h -1 3 4 705.605
40 acetaldehyde c o h -1 2 1 4 677.864
41 allene c h -1 3 4 704.100
42 sif4 si f -1 1 4 577.780
43 bf3 b f -1 1 3 470.973
44 c2h3f c f h -1 2 1 3 573.892
45 oxirane c o h -1 2 1 4 651.526
46 ch2f2 c f h -1 1 2 2 437.668
47 alf3 al f -1 1 3 430.967
48 bef2 be f -1 1 2 309.099
49 ch2c c h -1 2 2 359.934
50 n2h4 h n -1 4 2 438.281
51 ch2nh c n h -1 1 1 3 439.441
52 alf al f -1 1 1 163.780
53 acetic c o h -1 2 2 4 804.017
54 c2h2 c h -1 2 2 405.525
55 h2co h c o -1 2 1 1 374.658
56 h2cn h c n -1 2 1 1 343.749
57 bf b f -1 1 1 182.517
58 becl2 be cl -1 1 2 225.274
59 t-hcoh c o h -1 1 1 2 322.477
60 alcl3 al cl -1 1 3 312.651
61 c-hcoh c o h -1 1 1 2 317.647
62 alcl al cl -1 1 1 122.618
63 ketene c o h -1 2 1 2 533.462
64 sif si f -1 1 1 142.710
65 formic c o h -1 1 2 2 501.899
66 hcnh c n h -1 1 1 2 336.249
67 glyoxal c o h -1 2 2 2 635.101
68 hcof c o f h -1 1 1 1 1 403.743
69 nh2cl n cl h -1 1 1 2 248.059
70 cf4 c f -1 1 4 478.760
71 hccf c f h -1 2 1 1 398.472
72 hcn h c n -1 1 1 1 313.418
73 hnc h c n -1 1 1 1 298.203
74 cch c h -1 2 1 266.163
75 hco h c o -1 1 1 1 279.422
76 co c o -1 1 1 259.727
77 oxirene c o h -1 2 1 2 456.072
78 f2co c o f -1 1 1 2 420.636
79 hocn c o n h -1 1 1 1 1 410.066
80 hooh h o -1 2 2 269.089
81 t-n2h2 h n -1 2 2 296.534
82 hnco c o n h -1 1 1 1 1 434.737
83 c-n2h2 h n -1 2 2 291.135
84 cf2 c f -1 1 2 258.782
85 co2 c o -1 1 2 390.141
86 fccf c f -1 2 2 386.087
87 dioxirane c o h -1 1 2 2 410.029
88 cf c f -1 1 1 132.721
89 ssh s h -1 2 1 165.128
90 hocl h o cl -1 1 1 1 166.229
91 nccn n c -1 2 2 502.037
92 n2 n -1 2 228.485
93 n2h n h -1 2 1 224.864
94 ocs o c s -1 1 1 1 335.747
95 sio si o -1 1 1 193.052
96 clcn cl c n -1 1 1 1 285.447
97 hoo h o -1 1 2 175.533
98 hcno c o n h -1 1 1 1 1 364.971
99 honc c o n h -1 1 1 1 1 350.149
100 hno h n o -1 1 1 1 205.890
101 hof h o f -1 1 1 1 158.653
102 c-hono h n o -1 1 1 2 312.219
103 t-hono h n o -1 1 1 2 312.649
104 cs2 c s -1 1 2 280.778
105 hnnn h n -1 1 3 331.785
106 cs c s -1 1 1 172.218
107 cn c n -1 1 1 181.350
108 so3 s o -1 1 3 346.943
109 ccl2 c cl -1 1 2 177.357
110 bn3pi b n -1 1 1 105.815
111 so2 s o -1 1 2 260.621
112 no n o -1 1 1 152.745
113 so s o -1 1 1 126.465
114 n2o n o -1 2 1 270.849
115 c-hooo h o -1 1 3 233.089
116 s2 s -1 2 104.251
117 p4 p -1 4 290.578
118 cl2 cl -1 2 59.750
119 o2 o -1 2 120.824
120 f2 f -1 2 39.042
121 t-hooo h o -1 1 3 233.297
122 s2o s o -1 2 1 208.781
123 p2 p -1 2 117.593
124 clf cl f -1 1 1 62.800
125 no2 n o -1 1 2 227.882
126 clo cl o -1 1 1 65.447
127 s3 s -1 3 168.364
128 cl2o cl o -1 2 1 101.457
129 s4-c2v s -1 4 234.348
130 of o f -1 1 1 53.075
131 c2 c -1 2 147.023
132 oclo o cl -1 2 1 128.120
133 f2o f o -1 2 1 93.780
134 b2 b -1 2 67.459
135 fo2 f o -1 1 2 134.721
136 cloo cl o -1 1 2 126.385
137 foof f o -1 2 2 152.369
138 o3 o -1 3 147.428
139 bn b n -1 1 1 105.239
140 be2 be -1 2 2.669