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The remaining checkboxes in the top portion of this dialog have the following meanings: The range can also be adjusted manually by entering values into the Charge Range fields. The window in the middle shows the numeric charge numbers display, and the one on the right shows the atoms colored by charge (reflecting the settings in the dialog on the left), as well as the dipole moment vector.īy default, the color spectrum for charge display is set by reading the maximum charge computed for the molecule and setting the range to match the charge. The dialog on the left is used to control what charges are shown and how they are displayed. The Charge Type menu lists the available choices. Displays are available for the default Mulliken charges and other computed charges that are available for this job. This tool manages the display of partial charge density as computed by various methods in Gaussian. The Results=>Charge Distribution menu item opens the Display Atomic Charges dialog (see Figure 84). The Results=>Stream Output File menu item and the Stream Output button can both be used to view the Gaussian log file associated with the current Gaussian calculation continuously as the job runs.ĭisplaying Atomic Charges Computed in Gaussian
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The Results=>View File menu item and the View File button can both be used to open the Gaussian log file associated with the Gaussian calculation (if applicable).
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This window summarizes the results of a B3LYP/6-31G(d) frequency calculation. The Results=>Summary menu item displays summary data about the results of the Gaussian calculation (available when a Gaussian log file or checkpoint file is opened). These procedures are discussed in the final part of this section of the manual. The various spectra and plots produced by GaussView can all be customized and manipulated using common techniques. If the selected item is not present in the file, the item is dimmed in the menu.
GAUSSIAN SOFTWARE OPTIMIZATION SERIES
This menu opens a series of dialog boxes that allow you to examine the results of calculations from Gaussian output files. This section describes the Results menu and the options available through it.