How do I get HOMO/LUMO values on specific atoms?

Last Modified: 3rd Jan 2013
Category: Laboratory Applications > Chem3D
Platform: Windows Macintosh
Version: All
Article Ref.: 561A
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Chem3D 561A The HOMO/LUMO values can be obtained in two ways. The HOMO/LUMO values can be obtained in two ways. 1. Do a MOPAC calculation in Chem3D and select Molecular Surfaces property and use the Molecular Orbitals dialogue box to get the energy levels for all the orbitals. 2. The HOMO and LUMO are printed in the MOPAC .log files along with other information. The .log file can be found in your CSMopacOutput folder which is usually found in the Windows\Temp folder (Desktop for Mac users). How do I? Chem3D Windows All en

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