Frequency Visualizer program overview Frequency Visualizer reads Gaussian03 output files and displays the calculated infrared or Raman vibrational spectrum. In addition, the molecule is displayed and can rotate or animate frequencies. Spectra for multiple molecules can be shown on the plot at the same time. There are three main regions of the user interface: the Menus, the Spectra Plot and the Molecule Display Area. Specific help for each area is given below. Interacting with the Spectra Plot: The calculated spectrum for a molecule is displayed both as a series of vertical frequency lines representing the computed frequencies, and as a spectrum calculated by placing a Lorentzian curve at each frequency with an peak area proportional to the intensity of the frequency. Right-clicking on a frequency line will animate that frequency in the molecule display. Left-clicking on a frequency line or the spectrum will allow the user to change the properties of that line. If the color of the spectrum is changed, the frequency lines can all be made the same color by turning the frequency lines off and then on again using the Preferences menu item "Frequency Lines". Clicking on a plot axis brings up a dialog box that allows the user to change the properties and scale of the axis. Interacting with the Molecule Display Area: The molecule can be rotated by dragging with the left mouse button through the Molecule Display Area. The Molecule Display Area can be moved around the Spectra Plot by dragging it with the right mouse button. Animations can be stopped by clicking on the red stop sign in the Molecule Display Region. Only one molecule can be displayed at a time. To display a different molecule, right click on the spectrum curve for that molecule. To animate a vibration, right click on any verticle frequency line. Interacting with the Menu items: File Menu Open Gaussian Output Allows the user to choose a Gaussian output file to open Save XY Data Saves the X & Y data for a spectrum in a tab-delimited text file. Remove Spectrum Removes one of the spectra (spectrum and frequency lines) from the plot and the molecule from the Molecule Display Area. Edit Menu Copy Plot Copies the Spectrum Plot and Molecule Display Area to the clipboard Add Text Choose this menu item and then click anywhere in the Spectrum Plot to add some text to the plot. After adding the text, it can be moved by dragging it with the left mouse button, and deleted by right-clicking on it. Preferences Menu Bandwidth Change the bandwidth used in the Lorentzian curve calculation that converts calculated frequencies to a spectrum. Frequency Type Choose from IR or Raman frequencies Vibration Amplitude How far to displace the atoms when animating a frequency Vibration Speed How fast to displace the atoms when animating a frequency Molecule Size The size of the Molecule Display Area Frequency Lines Whether to display the vertical frequency lines or not. If the color of a spectrum line is changed, the frequency lines can be set to the same color by turning this option on and off again.