Step 4: Calculate the vibrational frequencies of ethane

Now we will set up and run the frequencies calculation. It is important to start with the optimized structure, so make sure you did import the optimized coordinates (the last step of the previous instructions).

Select the 'Frequencies' preset

Select File → Run
Click 'OK' to save over the current results
Click 'Yes' when ADFjobs warns that results are already present
Wait for the calculation to finish (about 4 minutes, depending on your hardware)