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S22 reference data

Taken from Jurecka, P.; Sponer, J.; Cerny, J.; Hobza, P. Phys. Chem. Chem. Phys. 2006, 8, 1985-1993.
NOTE: For GMTKN30, new reference values are used from Takatani, T.; Hohenstein, E. G.; Malagoli, M.; Marshall, M. S.; Sherrill, C. D. J. Chem. Phys. 2010, 132, 144104.
(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 9: -1 x (Total Energy of "01") + 2 x (Total Energy of "01a") = 3.17

# Systems Stoichiometry Ref.
101 01a -12 3.17
202 02a -12 5.02
303 03a -12 18.80
404 04a -12 16.12
505 05a -12 20.69
606 06a06b -11 1 17.00
707 07a07b -11 1 16.74
808 08a -12 0.53
909 09a -12 1.50
1010 10a10b -11 1 1.45
1111 11a -12 2.62
1212 12a -12 4.20
1313 13a -12 9.74
1414 14a14b -11 1 4.59
1515 15a15b -11 1 11.66
1616 16a16b -11 1 1.51
1717 17a17b -11 1 3.29
1818 18a18b -11 1 2.32
1919 19a19b -11 1 4.55
2020 20a20b -11 1 2.71
2121 21a21b -11 1 5.62
2222 22a22b -11 1 7.09