How to use it:
Prepare the input file in the following format: if you have N atoms, the file has to have N+1 lines. The first line has to have only one number - the number of atoms in the molecule. The rest N lines contain 4 numbers each in the following order - the atomic weight of the particle in AMU, x, y, and z coordinates in A (1e-10 m). Tab or spaces can be used as a delimiter. You can create and edit the input file with any conventional editor. Save the input file.
Start the program. Click "Open file" button and navigate to the desired input file. Click on it. The data will be sucked into the program. Click "Do it". It will invoke "Save it" Dialog Box where you have to specify the name of the output file that will contain all the data on rotational constants of the molecule. The data will be processed immediately.
You are very welcome to leave comments or express feelings you experienced using SpecView & RotConst.exe. Your feedback is important for development of the best spectrum analysis tools.
Last revised on December 31, 1969, 7:00 pm