WebMO Building a Molecule
Building a molecule and adjusting the dihedral angle.
Create the molecule.
- Add 3 carbon atoms in the Editor window.
- Create bonds between atoms, with a double bond between the second (C2) and third carbon (C3).

- Add 1 oxygen atom with double bond to the first carbon (C1).

- Click on Comprehensive Cleanup (brush icon on left margin).
- This the optimize the geometry and add the hydrogen atoms.

Adjust the dihedral angle.
- Click on Tools in the upper margin and select Adjust from the menu.
- Click on the oxygen atom.

- Shift and click on the first carbon (C1).

- Shift and click on the second, then third carbon atoms.
- Now the Adjust Dihedral Angle icon is available in the left margin.
- Click on the icon (between arrow and brush).

- As an example, change the angle to 90.0.


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