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IDISP reference data

For more information, see: Goerigk, L.; Grimme S. J. Chem. Theory Comput. 2010, 6, 107-126.
NOTE: Some reference values were changed for GMTKN30, see Goerigk, L.; Grimme S. J. Chem. Theory Comput. 2011, DOI: 10.1021/ct100466k.
(theoretical and back-corrected, experimental 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 1: 1 x (Total Energy of "antdimer") - 2 x (Total Energy of "ant") = -9.0

# Systems Stoichiometry Ref.
1antdimer ant 1-2 -9.0
2pxylene pc22 h2 2-1 -2 -58.5
3octane1 octane2 1-1 -1.9
4undecan1 undecan2 1-1 8.2
5F14f F14l -1 1 -3.1
6F22f F22l -1 1 0.4