Gaussian 09

Share

Computation Features

Gaussian can compute a very wide range of spectra and spectroscopic properties. These include:

  • IR and Raman
  • Pre-resonance Raman
  • UV-Visible
  • NMR
  • Vibrational circular dichroism (VCD)
  • Electronic circular dichroism (ECD)
  • Optical rotary dispersion (ORD)
  • Harmonic vibration-rotation coupling
  • Anharmonic vibration and vibration-rotation coupling
  • g tensors and other hyperfine spectra tensors
Rate this page
Comment