IRMOFs	Isoreticular metal organic frameworks
QM	Quantum Mechanical
NBO	Natural Bond Order
MP2	Møller-Plesset 2nd order perturbation theory
BDC	1,4-benzenedicarboxylate
BSSE	basis set superposition error
DFT	Density Functional Theory
EDA	Energy Decomposition Analysis
NBO	Natural Bond Order
HF	Hartree-Fock
CP	counterpoise
PES	Potential Energy Surface
NBOs	Natural Bond Orbitals
SE	Stabilization Energy
NLMOs	Natural Localized Molecular Orbitals
SAPT	Symmetry-Adapted Perturbation Theory