Building and Optimizing BF3
Start Moilin
Click to go into
build mode and click the screen.
On the Build Options dialog set the atom type to B (case does not matter) and
select the geometry shown. It is best when dealing with an unknown structure to
start from the lowest possible symmetry. Click OK and BH3 appears
To convert the structure to BF3 click one of the H atoms
and on the Build Options dialog set the Atom Type to F and the geometry to monovalent.
Repeat this for the other H atoms.
Right click (click the right mouse button) to return to display mode and
click to open the Mopac menu.
Click NewInput
and
click Run Mopac on the Mopac options dialog.
This will optimize the structure.
You will see Mopac finished structure
updated on the status bar.
Right click to return to display mode.
Rotate
the structure by clicking and dragging the mouse. You should be convinced that
it is planar.
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