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<font face="serif">Today I want you try try and learn how to use
Molden to build an input file for Gaussian. To get you started,
watch the following YouTube video...<br>
<br>
<a class="moz-txt-link-freetext" href="https://www.youtube.com/watch?v=6vTQK0pPiKE">https://www.youtube.com/watch?v=6vTQK0pPiKE</a><br>
<br>
<br>
Try to create the following five molecules and save them in
"Gaussian Format".<br>
<br>
1. Water<br>
2. Ethanol (see if you can use the fragment library)<br>
3. Triphenylphosphine (again, try and use the fragment library for
the phenyl groups)<br>
4. Tetraphenylphosphine (ditto)<br>
<br>
<br>
and finally... <a
href="http://www.chemspider.com/Chemical-Structure.8612614.html">this
molecule.</a><br>
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<br>
In building this one, please remember to properly terminate all of
your carbons. You will also want to make heavy use of Molden's
ability to use fragments. It will take some playing around and trial
and error for you to learn how to use Molden -- but a little effort
spent now will really pay off later.<br>
<br>
After you create each of the files look at them in your favorite
editor (presumably gedit or evim). You will have to modify these
files to actaully get them to run in Gaussian -- but that will be
our next task. <b>Let me know what problems you have.</b> When
you are done, e-mail me all five files so I can look a them.<br>
<br>
<br>
<br>
<pre class="moz-signature" cols="72">--
Andrew J. Pounds, Ph.D. (<a class="moz-txt-link-abbreviated" href="mailto:pounds_aj@mercer.edu">pounds_aj@mercer.edu</a>)
Professor of Chemistry and Computer Science
Mercer University, Macon, GA 31207 (478) 301-5627
<a class="moz-txt-link-freetext" href="http://faculty.mercer.edu/pounds_aj">http://faculty.mercer.edu/pounds_aj</a>
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