Molecular properties with ADF

Frequencies, IR Intensities, Raman, VCD
Numerical Differentiation of Gradients
Analytical Second Derivatives
(Resonance) Raman Scattering
Vibrational Circular Dichroism (VCD)
Time-Dependent DFT
Excitation Energies and Oscillator Strengths
Polarizabilities
Hyperpolarizabilities
Dispersion Coefficients
Circular Dichroism (CD)
Optical Rotation (OR), Optical Rotation Dispersion (ORD)
Magnetizability
NMR
NMR Chemical Shifts
NMR spin-spin coupling
ESR/EPR
G-tensor: Zeeman interaction
A-tensor: Nuclear magnetic dipole hyperfine interaction
Electric Field Gradient, NQCC

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