3c-2e bonding in Diborane B2H6. Requires Orca and MultiWFN
Load B2H6 from the inorganics folder of the library.
Click the Orca toolbar button and NewInput on the Orca menu. Select
Energy (to save time) and click Run
When Orca has stopped running click End Orca and click the MultiWFN button
and select option 1 on dialog31
and click OK,
press 0 and enter to start the MO plot and you will see that the 3c-2E bond is
orbital 5.