Symmetry Lab Downloads

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

Files for Workshop 1:
A zip archive of all of the input files you'll need, Media:ex1.zip

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 run this job:Media:7_h2_square.gjf
and then use the checkpoint file,
or use this formatted checkpoint file (right click and choose save as):Media:8_h2_square.fchk

you will need to goto 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:

Pdf icon.jpg Tables for group theoryInfo circle.png

A local symmetry tutorial

Interactive group theory tables

MOs in Inorganic Chemistry course notes