DFT	Density Functional Theory
PES	Potential Energy Surface
PCM	Polarizable Continuum Model
TD-DFT	Time-Dependent Density Functional Theory
CCDC	Cambridge Crystallographic Data Centre
FT-IR	Fourier-Transform Infrared spectroscopy
NMR	Nuclear Magnetic Resonance
NBO	Natural Bond Orbital
SAPT	Symmetry-Adapted Perturbation Theory
BSSE	Basis Set Superposition Error