Hi all,
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.
Avogadro 1.1.1
QT version 4.8.6
Anthony advice is greatly appreciated. Thanks
Anthony
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