Clicking on a peak in the spectrum will display the normal mode vibrations or atoms associated with the peak.Įxamples are given below for but-1-en-2-ol.īut-1-en-2-ol Optimized Geometry Displaying Infrared and Raman SpectraĪfter a Vibrational Frequencies calculation, the normal mode frequencies are tabulated along with infrared intensities (and Raman and VCD intensities if available). Displayed IR and NMR spectra are interactive. WebMO can display a variety of molecular spectra, depending on the capabilities of the underlying engine. When a job has completed, from the Job Manager page click either the job name or the View Job icon ( ).
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