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NBRC 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 4: -2 x (Total Energy of "nh2-bh2") + 1 x (Total Energy of "cbut") = -18.94

# Systems Stoichiometry Ref.
1nh3 bh3 nh3-bh3-1-11-31.84
2nh3-bh3 nh2-bh2 h2 -1 11 -0.06
3nh2-bh2 nh-bh h2 -1 11 37.27
4nh2-bh2 cbut -2 1 -18.94
5nh2-bh2 bz h2 -3 13-48.27
6nh2-bh2 ch -3 1 -45.06