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SIE11 reference data

Taken from Goerigk, L.; Grimme S. J. Chem. Theory Comput. 2010, 6, 107-126.
(estimated CCSD(T)/CBS); 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 "he") + 1 x (Total Energy of "he+") - 1 x (Total Energy of "he2+") = 57.44

# Systems Stoichiometry Ref.
1he he+ he2+ 1 1-1 57.44
2nh3 nh3+ nh32+ 1 1-1 35.34
3h2o h2o+ h2o2+ 1 1-1 37.25
4but+ ethyl ethyl+ -1 1 1 35.28
5ch3 acetyl aceton+ 1 1-1 22.57
6clclf clfcl 1 -1 -1.01
7c2h4 f2 c2h4_f2 1 1-1 1.08
8li bz bz_li 1 1-1 9.50
9nh3 clf nh3_clf 1 1-1 10.50
10mgo na naomg 1 1-1 69.56
11li f2 li_f2 1 1-1 94.36