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Vibrational Analysis Vibrational Analysis Supported formats: Supported formats: Gaussian & ADF Gaussian & ADF Output files Output files
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Vibrational Analysis Supported formats: Gaussian & ADF Output files.

Dec 20, 2015

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Page 1: Vibrational Analysis Supported formats: Gaussian & ADF Output files.

Vibrational AnalysisVibrational Analysis

Supported formats:Supported formats: Gaussian & ADF Output files Gaussian & ADF Output files

Page 2: Vibrational Analysis Supported formats: Gaussian & ADF Output files.

Selecting Spectra to PlotSelecting Spectra to Plot

If output file contains If output file contains frequencies information user can frequencies information user can select available spectra to plotselect available spectra to plot

To select available To select available properties to chart use properties to chart use left mouse buttonleft mouse button

Page 3: Vibrational Analysis Supported formats: Gaussian & ADF Output files.

Animating FrequenciesAnimating Frequencies

To inspect displacement vectors To inspect displacement vectors and/or animate frequencies use and/or animate frequencies use “Analyze” Menu“Analyze” Menu

Page 4: Vibrational Analysis Supported formats: Gaussian & ADF Output files.

Animating FrequenciesAnimating Frequencies1) To inspect displacement 1) To inspect displacement vectors and/or animate vectors and/or animate frequencies select frequency frequencies select frequency from the tablefrom the table

2) Check corresponding checkbox(es) 2) Check corresponding checkbox(es) to inspect displacement vectors to inspect displacement vectors and/or animate frequenciesand/or animate frequencies

Page 5: Vibrational Analysis Supported formats: Gaussian & ADF Output files.

Inspecting Displacement VectorsInspecting Displacement Vectors

Page 6: Vibrational Analysis Supported formats: Gaussian & ADF Output files.

Plotting SpectraPlotting Spectra

Use combobox to select spectrum Use combobox to select spectrum to plot and press “Show Spectrum” to plot and press “Show Spectrum” button to plot selected spectrumbutton to plot selected spectrum