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DC9 reference data

Taken from Goerigk, L.; Grimme, S. J. Chem. Theory Comput. 2010, 6, 107-126.
(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 8: 1 x (Total Energy of "be4") - 4 x (Total Energy of "be") = -88.4

# Systems Stoichiometry Ref.
1 ISO_E36 ISO_P36 1-1 -1.0
2 c20cage c20bowl -1 1 -13.3
3heptatriyne heptahexaene 1-1 -14.3
4 tmethen omcb -2 1 -19.2
5 ISO_E35 ISO_P35 1-1 -19.5
6carbooxo2 carbooxo1 -1 1 -26.9
7 ethen ch2n2 13dip -1-1 1 -38.1
8 be4 be 1-4 -88.4
9 s2 s8 -4 1 -101.0