PyVib2 permits the automatic correlation of
vibrational motions of molecules, thereby allowing
an understanding of Raman, Raman optical activity
(ROA), infrared vibrational absorption (IR), and
vibrational circular dichroism (VCD) spectra. The
versatile representation of vibrational motions,
the visualization techniques of Raman/ROA and
IR/VCD generation in molecules, and the production
of publication quality spectra are features of
PyVib2. Output files of Raman/ROA and IR/VCD
calculations, produced with the DALTON and
Gaussian quantum chemistry packages, can be
directly opened. Files in the MOLDEN and XMol XYZ
format can be imported and exported. A variety of
formats (JPEG, TIFF, PNG, PNM, PS, PDF, animated
GIF, and FLI) are available to the user for saving
results. All the functionality is accessible via
the pyviblib class library.
