Defining your structures

To be able to actually use the structures as described earlier, it is necessary to define one of the atoms as having xyz-coordinates (0,0,0). This will then be the atom that will actually appear at the spot of the atom that is replaced by the structure. If you use the Save As Structure command this will be done for you.

Select the File → New command
Click No (do not save changes)

Build methane
Replace three of the hydrogens by chloride atoms and pre-optimize
Delete the remaining hydrogen
Select the central carbon atom
Use the Structures tool → Save As Structure ... command
Enter a name like trichloromethyl
Note that the selected atom (currently the C atom) will be used as anchor

Trichloromethyl structure

The new structure will appear in the structures menu and can be directly used.

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