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<span id="molecule-toc"></span><h1>Molecule specification<a class="headerlink" href="#molecule-specification" title="Permalink to this headline">ΒΆ</a></h1>
<p>Molecule, starting with <code class="docutils literal notranslate"><span class="pre">"title"</span> <span class="pre">:</span> <span class="pre">"molecule"</span></code>, is one of the basic input blocks specifying important
information such as basis sets and geometry for the input system. The user has to specify the contents of this block
in order to run the calculation.</p>
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<li class="toctree-l1 current"><a class="reference internal" href="../user-manual.html"><strong>BAGEL user manual</strong></a><ul class="current">
<li class="toctree-l2"><a class="reference internal" href="../quickstart/quickstart.html">First steps with BAGEL</a></li>
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