Step 6. Run the fragment analysis and view the results

Next you will Run the calculation:

Run

After the calculation has finished, you can view the resulting interaction diagram:

Use the Levels command from the SCM menu

Use the View->Interactions->Show menu command to show the interaction diagram in
  terms of the fragments
Resize the window
Click somewhere in empty space to deselect all

With the pop-up menu (click-and-hold, or right mouse button) zoom out completely
Drag with the mouse to zoom in on the interesting region (roughly from -0.5 to 0.4)

With the pop-up menu in the H2 column, shift the H2 levels by +0.28

Note that we needed to shift the H2 levels to accommodate that in the final molecule the fragment experiences the -2 charge, but this is absent from the H2 fragment calculation. The interaction diagram should look something like the following:

Levels

In the output file you can find detailed information about the composition of the molecular levels in terms of the fragment orbitals.

 

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