How to execute Gaussian09 under GaussView05?

In this tutorial we present how to use the Gaussian09 code on Windows system under the graphical interface Gauss View 05.

To download the Gaussian09 code on Windows system click on the following link:

https://atom-molecule-algerien1970.blogspot.com/2019/02/how-to-download-and-execute-gaussian09.html

To download the GUI interface Gauss View 05 on Windows system click on the following link:

https://drive.google.com/file/d/0B5IbJBoJ-zWrXzNCS2tnNWpXdzg/view?fbclid=IwAR2F-915-xro11o2cfaFup9sSVviiN4h22tZjK0DHcNmGjM7yW6XC0x59bo

You will find the manual of the Gauss View 05 at the following link:

https://wiki.crc.nd.edu/w/images/d/d7/Gaussview-5-ref.pdf

To get a visual manual click on the following link:

We need another package to convert between input files called Avogadro. To download it click on the following link:

https://sourceforge.net/projects/avogadro/files/avogadro/1.0.3/Avogadro-1.0.3-win32.exe/download

Execution

To execute the Gaussian09 under Gaussian View 05 we proceeds as follows:

We take the example of water. To get the input file we can use an input file created with the code Avogadro with the extension cml. To convert this file to another form understood by the Gaussian code we use the code avogadro to do it.

water.cml 

The structure files for many molecules are at the following link:

https://github.com/cryos/avogadro

To get the structure file of the water go the repertrory 

https://github.com/cryos/avogadro/blob/master/fragments/

you will find a file named water.cml

To convert this input file to the form water.com understood by gaussian we use the code avogadro to open the water.cml file as follows:

Now, find the Extensions button on the top task bar, and select "Gaussain..." under this tab.

A new window should appear.

You need to change (A) to "water"; (B) to Single Point energy, and click on the Generate button. Save as water.com.

You will get the new input file which looks as follows:

water.com           

Now you open the file with Gauss View interface and do the calculation as follows:

Now click on the "Calculate" button on the top

and choose "Gaussian Quick Launch "

and choose "temp file"

After calculation you will get the following picture:

Click no to maintain the window and read the results