If Calculate Spectrum is checked a spectrum will be calculated when the job is run.
Orca can simulate UV-visible, IR and Raman spectra
N.B. The structure should be optimized before spectral simulation is attempted.
On the Orca Menu in Moilin NewInput will bring up the dialog
If Calculate Spectrum is checked a spectrum will be
calculated when the job is run.
If Save is clicked the input file (jobname.ino) is saved and the job can be run in batch mode.
If Run is clicked the the job will run immediately.
When the job has finished select Properties on the Orca
menu
If the job was run in batch mode or if it was run in the
past click Update to reread the files.
Click Plot UVvisible if a UV-visible spectrum was calculated.
This is the spectrum of the 1E-diazo heterocycle the example used in the video
on calculating UV-visible spectra.
If an IR spectrum was calculated click Plot IR
If a Raman Spectrum was calculated click Plot Raman
