The file contains HF-r²SCAN-DC4 calculation results of all 1505 reactions in the GMTKN55 database of Stephan Grimme's group.

Reaction indexes, geometries, and reference energies are all brought from the database.

All calculations were done with PySCF.

def2-QZVPPD basis set was used, and open-shell systems were treated with unrestricted HF (UHF).