Data set Pecina2015
Chalcogen and pnicogen bonds of heteroboranes
The data set contains 29 items.
Here you can download the data set definition file (in YAML format), an archive of the geometries and a dictionary file assigning the system names to the geometry file.
Pecina, A.; Lepšík, M.; Hnyk, D.; Hobza, P.; Fanfrlík, J. J. Phys. Chem. A 2015, 119 (8), 1388–1395.
CCSD(T)/CBS constructed from MP2/aug-cc-pV(D->T)Z and dCCSD/aug-cc-pVDZ
The data set is divided into following groups (by the type of the interaction):