Step 3: Optimize the geometry

The next step is to optimize the geometry using ADF:

Enter a proper title in the Title field (like 'Ethene')
Select the 'Geometry Optimization' preset

With the proper options selected, now run ADF:

Select the 'Run' command from the 'File' menu
Click 'Yes' in the pop-up to save the current input
In the file select box, choose a name for your file (for example 'ethene') and click 'Save'

Now ADF will start automatically, and you can follow the calculation using the logfile that is automatically shown.

Wait until the optimization is ready (should take very little time)

The following dialog should appear:

Click 'Yes' to update the coordinates