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<!DOCTYPE html PUBLIC "-//W3C//DTD XHTML 1.0 Transitional//EN" "http://www.w3.org/TR/xhtml1/DTD/xhtml1-transitional.dtd"><html xmlns="http://www.w3.org/1999/xhtml"><head><meta http-equiv="Content-Type" content="text/html; charset=UTF-8" /><title>GaussSum Version 3.0</title><link rel="stylesheet" type="text/css" href="style.css" /><meta name="generator" content="DocBook XSL Stylesheets V1.77.1" /><link rel="home" href="index.html" title="GaussSum Version 3.0" /><link rel="next" href="pr01.html" title="Introduction" /></head><body><div class="navheader"><table width="100%" summary="Navigation header"><tr><th colspan="3" align="center">GaussSum Version 3.0</th></tr><tr><td width="20%" align="left"> </td><th width="60%" align="center"> </th><td width="20%" align="right"> <a accesskey="n" href="pr01.html">Next</a></td></tr></table><hr /></div><div class="book"><div class="titlepage"><div><div><h1 class="title"><a id="idp8649868464"></a>GaussSum Version 3.0</h1></div></div><hr /></div><div class="toc"><p><strong>Table of Contents</strong></p><dl><dt><span class="preface"><a href="pr01.html">
Introduction
</a></span></dt><dt><span class="preface"><a href="pr02.html">
Citation
</a></span></dt><dt><span class="preface"><a href="pr03.html">
Acknowledgments
</a></span></dt><dt><span class="chapter"><a href="ch01.html">1. Installation</a></span></dt><dd><dl><dt><span class="section"><a href="ch01.html#WinInstall">Installing an all-in-one bundle on Windows</a></span></dt><dt><span class="section"><a href="ch01s02.html">Installing the <span class="application">GaussSum</span> scripts on Windows</a></span></dt><dt><span class="section"><a href="ch01s03.html">Installing on Linux</a></span></dt></dl></dd><dt><span class="chapter"><a href="ch02.html">2. How do I find all lines with a certain phrase?</a></span></dt><dt><span class="chapter"><a href="ch03.html">3. How do I follow the progress of an SCF convergence?</a></span></dt><dt><span class="chapter"><a href="ch04.html">4. How do I follow the progress of a geometry optimisation?</a></span></dt><dt><span class="chapter"><a href="ch05.html">5. How do I get the IR or Raman spectrum of a molecule?</a></span></dt><dt><span class="chapter"><a href="ch06.html">6. How do I extract molecular orbital information?</a></span></dt><dd><dl><dt><span class="section"><a href="ch06.html#idp8651675568">How to extract basic information (DOS)</a></span></dt><dt><span class="section"><a href="ch06s02.html">How to find the % contribution of a group to each molecular orbital (PDOS)</a></span></dt><dt><span class="section"><a href="ch06s03.html">How to find the nature of the overlap between different groups of atoms (COOP)</a></span></dt></dl></dd><dt><span class="chapter"><a href="ch07.html">7. How do I get the UV-Vis or circular dichroism spectrum of a molecule?</a></span></dt><dd><dl><dt><span class="section"><a href="ch07.html#idp8651765344">The UV-visible spectrum</a></span></dt><dt><span class="section"><a href="ch07s02.html">The circular dichroism spectrum</a></span></dt><dt><span class="section"><a href="ch07s03.html">The electron density difference map (EDDM) [Gaussian only]</a></span></dt></dl></dd><dt><span class="chapter"><a href="ch08.html">8. How can I automate spectra generation for multiple files? [Advanced]</a></span></dt><dd><dl><dt><span class="section"><a href="ch08.html#idp8651818272">Generate UV-Vis spectra for multiple files</a></span></dt></dl></dd></dl></div><div align="Center"><table border="0" summary="manufactured viewport for HTML img" style="cellpadding: 0; cellspacing: 0;" width="320"><tr style="height: 240px"><td align="Center"><img src="mesh.gif" align="Center" width="320" /></td></tr></table></div></div><div class="navfooter"><hr /><table width="100%" summary="Navigation footer"><tr><td width="40%" align="left"> </td><td width="20%" align="center"> </td><td width="40%" align="right"> <a accesskey="n" href="pr01.html">Next</a></td></tr><tr><td width="40%" align="left" valign="top"> </td><td width="20%" align="center"> </td><td width="40%" align="right" valign="top">
Introduction
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