This is the electronic appendix of the thesis:
"RISM-based pressure-depent computational spectroscopy"
Tim Pongratz
11.2022

The following three subdirectories are present:
In SI_4.1 the raw and calculated data for the pressure-depdent IR spectroscopy calculations are stored
In SI_4.2 the raw and calculated data for Aiso, A- and g-tensors of HMI and HMHI are stored
In SI_4.3 the rae and calculated data for Ac-Gly-NHMe, Ac-Ala-NHMe, and NMA are stored.