Apologies if this has been covered before; I’ve looked but with no success.
I have loaded in my Gaussian formatted checkpoint file and I have identified the three NBOs involved in hydrogen bonding between an organic molecule and a single explicit water molecule. Unfortunately it seems that I can only display one orbital at anyone time. I wish to render the LP (the one of the two with the most interaction energy from the second order…) and the (O-H)* delocalised orbital.
QT version 4.8.6
Anthony advice is greatly appreciated. Thanks