Data set for Chemical bond analysis for the entire periodic table: Energy Decomposition and Natural Orbitals for Chemical Valence in the Four-Component Relativistic Framework

Data related with the publication :Chemical bond analysis for the entire periodic table:
Energy Decomposition and Natural Orbitals for Chemical Valence in the Four-Component Relativistic Framework by Diego Sorbelli, Paola Belanzoni, Loriano Storchi, Olivia Bizzarri, Beatrice Bizzarri, Edoardo Mosconi and Leonardo Belpassi

Input and data for:

Tab.1 --> data in dir "w_dimer_AVDZ" and in dir "ADF/w_dimer".

Tab.2 --> data in dir "Agalkyne" and in dir "ADF/Agalkyne"

Tab.3 --> data in dir "TMC05ethene"