Re: [Jmol-users] JMOL/G03/MO

[<ha...@st...>]

Romuald:

Generally with Gaussian log files there are several models that load. The
entire course of the calculation is there, but only the final model has
the MOs. My guess is that you are only looking at the first model. Try
right-clicking on the applet and look for "models 1/n" -- there should be
a list there. Select the LAST model. Then using the popup menu again, look
under "surfaces --> molecular orbitals" and see if they are there. If you
have vibrations as well, then I think the MOs are in the model just before
the vibrations.

If this doesn't solve your problem, please send the log file to me offline
so I can look at it.

Bob Hanson


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