User manual of Gaussian 09

Click the logo on desktop to run the application. This will open 2 windows.

Operate window Working window

Red box indicating the operation Tools

Clicking green box operation periodic table

will open.
By clicking select your molecules with
desired valance.
Transfer the structure simply by clicking on working window.
To input another structure in molecule simply select the molecule from Periodic table and click one of the valance to
substitute the structure in working window.
NB: don't put the molecule separately. Made a clear concept about the molecule you are going to draw.
For calculations
Click Right button of mouse select
calculate then click Gaussian
calculation setup.
NB: check your atom number, and
multiplicity indication the red box.
Calculation setup will open a new window. Select your Job type what you want to calculate. Then Click method in the red
box
Know what method you are using. Click on the
Set up the memory limit to 1GB and shared
boxes to set up your desired theory basis set
processor to 3/4 for faster performance.
charge etc.
After setting all the calculation parameters click on Select your desired folder and name it.
submit (red box). It will open a new window asking you NB: do not save the files in desktop.
to save. Give a suitable name so that you may say the
calculation type and basis set you used.
After saving, a new small window will open asking you to submit. Click OK. A new window will open showing you
the calculations. Be patient. It may take several minutes to finish the calculations.
After the calculation is done close
Gaussian window. All your further work will be based on this working window
Click on Log file(must) then ok.
A log file window will open.
View Bond distance, angle, dihedral
angle etc:
Clicking right button on log file working
window will lead you to further
procedure.
To view bond distance simply click the two molecules you want to see the distance
between them. For bond angle, dihedral angle use the same procedure.
You should assign the symbol
or number to report the bond
distance, angle etc.
Report as follows C(6)-C(7)
Follow the steps to view
Molecular Orbitals (MO)
Clicking MO will open new
window.
Go to new MOs then click
generate.
Then visualize box will activate.
Click and then click update .
It will then show the MOs. You
may take the best picture
showing most of the MOs.
The box beside the picture
shows the energies in hartree
unit.
Highest Occupied Molecular
Orbital (HOMO) and Lowest
Unoccupied Molecular Orbital
(LUMO) can be seen by simply
clicking boxes.
For checking the vibrations (if you calculate) follow the following procedure. Check all the freq.
any negative freq will indicate the unoptimised structure.
Many more calculations may be done by Gaussian.
Software should be learned by exploring by thyself.
Click and see with patience.
Happy computing.