User`s guide

4. Visualizing Results
C-H Stretching Normal Mode
The entire infrared spectrum can be displayed by clicking the IR Spectrum View button.
Computed peak positions and intensities are used, and the peak width is controlled by the Peak
Width value.
E. NMR, UV-Vis, and Infrared Spectra
In addition to peak position listed in tabular form, computed spectra are available after performing
their corresponding calculations.
Spectrum Calculation
NMR NMR
Infrared Vibrational Frequencies
Thermochemistry
UV-Vis UV-Vis Spectrum
Computed Spectra Calculations
Computed spectra are displayed by clicking the spectrum View button. Peak positions and
intensities are based on computed values. The peak widths for the spectra are controlled by the
Peak Width value on the job results page.
42