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<!DOCTYPE html>
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<li class="toctree-l1"><a class="reference internal" href="data.html">Parsed data (version 1.7.1)</a></li>
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<span id="contents"></span><h1>Table of Contents<a class="headerlink" href="#table-of-contents" title="Permalink to this headline">¶</a></h1>
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<ul>
<li class="toctree-l1"><a class="reference internal" href="index.html">Overview</a><ul>
<li class="toctree-l2"><a class="reference internal" href="index.html#summary">Summary</a></li>
<li class="toctree-l2"><a class="reference internal" href="index.html#how-to-use-cclib">How to use cclib</a></li>
<li class="toctree-l2"><a class="reference internal" href="index.html#about-cclib">About cclib</a></li>
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<li class="toctree-l2"><a class="reference internal" href="how_to_install.html#requirements">Requirements</a></li>
<li class="toctree-l2"><a class="reference internal" href="how_to_install.html#installing-using-pip">Installing using pip</a></li>
<li class="toctree-l2"><a class="reference internal" href="how_to_install.html#installing-using-a-system-package-manager">Installing using a system package manager</a></li>
<li class="toctree-l2"><a class="reference internal" href="how_to_install.html#manual-download-and-install">Manual download and install</a></li>
<li class="toctree-l2"><a class="reference internal" href="how_to_install.html#what-next">What next?</a></li>
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<li class="toctree-l1"><a class="reference internal" href="how_to_parse.html">How to parse and write</a><ul>
<li class="toctree-l2"><a class="reference internal" href="how_to_parse.html#from-python">From Python</a></li>
<li class="toctree-l2"><a class="reference internal" href="how_to_parse.html#from-command-line">From command line</a></li>
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<li class="toctree-l1"><a class="reference internal" href="data.html">Parsed data (version 1.7.1)</a><ul>
<li class="toctree-l2"><a class="reference internal" href="data.html#description-of-parsed-data">Description of parsed data</a></li>
<li class="toctree-l2"><a class="reference internal" href="data.html#details-of-current-implementation">Details of current implementation</a></li>
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<li class="toctree-l1"><a class="reference internal" href="data_notes.html">Parsed data notes</a><ul>
<li class="toctree-l2"><a class="reference internal" href="data_notes.html#aonames">aonames</a></li>
<li class="toctree-l2"><a class="reference internal" href="data_notes.html#aooverlaps">aooverlaps</a></li>
<li class="toctree-l2"><a class="reference internal" href="data_notes.html#atombasis">atombasis</a></li>
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<li class="toctree-l2"><a class="reference internal" href="data_notes.html#scfvalues">scfvalues</a></li>
<li class="toctree-l2"><a class="reference internal" href="data_notes.html#vibdisps">vibdisps</a></li>
<li class="toctree-l2"><a class="reference internal" href="data_notes.html#vibfconsts">vibfconsts</a></li>
<li class="toctree-l2"><a class="reference internal" href="data_notes.html#vibrmasses">vibrmasses</a></li>
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<li class="toctree-l1"><a class="reference internal" href="methods.html">Calculation methods</a><ul>
<li class="toctree-l2"><a class="reference internal" href="methods.html#c-squared-population-analysis-cspa">C squared population analysis (CSPA)</a></li>
<li class="toctree-l2"><a class="reference internal" href="methods.html#mulliken-population-analysis-mpa">Mulliken population analysis (MPA)</a></li>
<li class="toctree-l2"><a class="reference internal" href="methods.html#lowdin-population-analysis">Löwdin Population Analysis</a></li>
<li class="toctree-l2"><a class="reference internal" href="methods.html#bickelhaupt-population-analysis">Bickelhaupt Population Analysis</a></li>
<li class="toctree-l2"><a class="reference internal" href="methods.html#density-matrix-calculation">Density Matrix calculation</a></li>
<li class="toctree-l2"><a class="reference internal" href="methods.html#mayer-s-bond-orders">Mayer’s Bond Orders</a></li>
<li class="toctree-l2"><a class="reference internal" href="methods.html#charge-decomposition-analysis">Charge Decomposition Analysis</a></li>
<li class="toctree-l2"><a class="reference internal" href="methods.html#bader-s-qtaim">Bader’s QTAIM</a></li>
<li class="toctree-l2"><a class="reference internal" href="methods.html#ddec6">DDEC6</a></li>
<li class="toctree-l2"><a class="reference internal" href="methods.html#hirshfeld-population-analysis">Hirshfeld Population Analysis</a></li>
<li class="toctree-l2"><a class="reference internal" href="methods.html#accessing-additional-methods-through-bridge">Accessing additional methods through bridge</a></li>
</ul>
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<li class="toctree-l1"><a class="reference internal" href="bridge.html">Bridges to other packages</a><ul>
<li class="toctree-l2"><a class="reference internal" href="bridge.html#horton">horton</a></li>
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<li class="toctree-l1"><a class="reference internal" href="development.html">Development</a><ul>
<li class="toctree-l2"><a class="reference internal" href="development.html#basic-instructions">Basic instructions</a></li>
<li class="toctree-l2"><a class="reference internal" href="development.html#testing">Testing</a></li>
<li class="toctree-l2"><a class="reference internal" href="development.html#websites-related-to-cclib">Websites related to cclib</a></li>
<li class="toctree-l2"><a class="reference internal" href="development.html#developers">Developers</a></li>
</ul>
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<li class="toctree-l1"><a class="reference internal" href="data_dev.html">Development parsed data</a><ul>
<li class="toctree-l2"><a class="reference internal" href="data_dev.html#description-of-parsed-data">Description of parsed data</a></li>
<li class="toctree-l2"><a class="reference internal" href="data_dev.html#details-of-current-implementation">Details of current implementation</a></li>
</ul>
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<li class="toctree-l1"><a class="reference internal" href="changelog.html">Changelog</a><ul>
<li class="toctree-l2"><a class="reference internal" href="changelog.html#changes-in-cclib-1-7-1">Changes in cclib-1.7.1</a></li>
<li class="toctree-l2"><a class="reference internal" href="changelog.html#changes-in-cclib-1-7">Changes in cclib-1.7</a></li>
<li class="toctree-l2"><a class="reference internal" href="changelog.html#changes-in-cclib-1-6-4">Changes in cclib-1.6.4</a></li>
<li class="toctree-l2"><a class="reference internal" href="changelog.html#changes-in-cclib-1-6-3">Changes in cclib-1.6.3</a></li>
<li class="toctree-l2"><a class="reference internal" href="changelog.html#changes-in-cclib-1-6-2">Changes in cclib-1.6.2</a></li>
<li class="toctree-l2"><a class="reference internal" href="changelog.html#changes-in-cclib-1-6-1">Changes in cclib-1.6.1</a></li>
<li class="toctree-l2"><a class="reference internal" href="changelog.html#changes-in-cclib-1-6">Changes in cclib-1.6</a></li>
<li class="toctree-l2"><a class="reference internal" href="changelog.html#changes-in-cclib-1-5-3">Changes in cclib-1.5.3</a></li>
<li class="toctree-l2"><a class="reference internal" href="changelog.html#changes-in-cclib-1-5-2">Changes in cclib-1.5.2</a></li>
<li class="toctree-l2"><a class="reference internal" href="changelog.html#changes-in-cclib-1-5-1">Changes in cclib-1.5.1</a></li>
<li class="toctree-l2"><a class="reference internal" href="changelog.html#changes-in-cclib-1-5">Changes in cclib-1.5</a></li>
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<li class="toctree-l2"><a class="reference internal" href="changelog.html#changes-in-cclib-1-3-1">Changes in cclib-1.3.1</a></li>
<li class="toctree-l2"><a class="reference internal" href="changelog.html#changes-in-cclib-1-3">Changes in cclib-1.3</a></li>
<li class="toctree-l2"><a class="reference internal" href="changelog.html#changes-in-cclib-1-2">Changes in cclib-1.2</a></li>
<li class="toctree-l2"><a class="reference internal" href="changelog.html#changes-in-cclib-1-1">Changes in cclib-1.1</a></li>
<li class="toctree-l2"><a class="reference internal" href="changelog.html#changes-in-cclib-1-0-1">Changes in cclib-1.0.1</a></li>
<li class="toctree-l2"><a class="reference internal" href="changelog.html#changes-in-cclib-1-0">Changes in cclib-1.0</a></li>
<li class="toctree-l2"><a class="reference internal" href="changelog.html#changes-in-cclib-0-9">Changes in cclib-0.9</a></li>
<li class="toctree-l2"><a class="reference internal" href="changelog.html#changes-in-cclib-0-8">Changes in cclib-0.8</a></li>
<li class="toctree-l2"><a class="reference internal" href="changelog.html#changes-in-cclib-0-7">Changes in cclib-0.7</a></li>
<li class="toctree-l2"><a class="reference internal" href="changelog.html#changes-in-cclib-0-6-1">Changes in cclib-0.6.1</a></li>
<li class="toctree-l2"><a class="reference internal" href="changelog.html#changes-in-cclib-0-6-0">Changes in cclib-0.6.0</a></li>
<li class="toctree-l2"><a class="reference internal" href="changelog.html#changes-in-cclib-0-6b">Changes in cclib-0.6b</a></li>
<li class="toctree-l2"><a class="reference internal" href="changelog.html#changes-in-cclib-0-5">Changes in cclib-0.5</a></li>
</ul>
</li>
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<div class="section" id="indices-and-tables">
<h1>Indices and tables<a class="headerlink" href="#indices-and-tables" title="Permalink to this headline">¶</a></h1>
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