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Symmetry Lab Downloads

From ChemWiki

Download the files to your network home directory (or somewhere else you can write to) first.
Open the files from within the GaussView program.

Files for Workshop 1:
Individual input files:
Media:0_CYCLOHEX.gjf
Media:1_CHLOROCUB_updated.gjf
Media:2_PROPELLOR.gjf
Media:3_CYCOCTTET_updated.gjf
Media:4_HEXVINBENZ_updated.gjf
Media:5_S8-CROWN_updated.gjf
Media:6_BRCL_CYCHEX.gjf

Files for Workshop 2:
To look at the orbitals, use this formatted checkpoint file (right click and choose save as):
Media:8_h2_square.fchk

You will need to go to the view tab, select "MOs" and then select to Visualize MOs 1-8, wait while the MOs are generated ... then look at them!
If you use the surfaces option, sometimes GaussView will not show the first surface you request (“new surface” on the surface actions button), if this happens, just remove that surface “remove surface” and load it again using “new surface”.


Additional resources:

Tables for group theory

A local symmetry tutorial

Interactive group theory tables

MOs in Inorganic Chemistry course notes