3.3.21. VIBROT — A Program for Vibration–Rotation on Diatomic Molecules

The program VIBROT computes vibration-rotation spectra for diatomic molecules. As input it uses a potential curve computed pointwise by any of the wave function programs. It does not require other input file from any of the Molcas programs, just its standard input file.

In the Advances Examples the reader will find an overview of the input and output files required by VIBROT and the different uses of the program on the calculation of the electronic states of the \(C_2\) molecule. The reader is referred to section 4.2.53 of the user’s guide for a detailed description of the program.