coverage.html



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</colgroup>
<thead valign="bottom">
<tr class="row-odd"><th class="head">attributes</th>
<th class="head">ADF</th>
<th class="head">DALTON</th>
<th class="head">GAMESS</th>
<th class="head">GAMESSUK</th>
<th class="head">Gaussian</th>
<th class="head">Jaguar</th>
<th class="head">Molpro</th>
<th class="head">NWChem</th>
<th class="head">ORCA</th>
<th class="head">Psi</th>
<th class="head">QChem</th>
</tr>
</thead>
<tbody valign="top">
<tr class="row-even"><td><a class="reference external" href="data_notes.html#aonames">aonames</a></td>
<td>N/A</td>
<td>T/D</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>T/D</td>
<td>√</td>
</tr>
<tr class="row-odd"><td><a class="reference external" href="data_notes.html#aooverlaps">aooverlaps</a></td>
<td>√</td>
<td>T/D</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>N/P</td>
<td>N/P</td>
</tr>
<tr class="row-even"><td><a class="reference external" href="data_notes.html#atombasis">atombasis</a></td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
</tr>
<tr class="row-odd"><td><a class="reference external" href="data_notes.html#atomcharges">atomcharges</a></td>
<td>√</td>
<td>T/D</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
</tr>
<tr class="row-even"><td><a class="reference external" href="data_notes.html#atomcoords">atomcoords</a></td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
</tr>
<tr class="row-odd"><td><a class="reference external" href="data_notes.html#atommasses">atommasses</a></td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>T/D</td>
<td>√</td>
<td>T/D</td>
<td>T/D</td>
<td>T/D</td>
<td>T/D</td>
<td>√</td>
<td>√</td>
</tr>
<tr class="row-even"><td><a class="reference external" href="data_notes.html#atomnos">atomnos</a></td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
</tr>
<tr class="row-odd"><td><a class="reference external" href="data_notes.html#atomspins">atomspins</a></td>
<td>T/D</td>
<td>T/D</td>
<td>T/D</td>
<td>T/D</td>
<td>T/D</td>
<td>T/D</td>
<td>T/D</td>
<td>T/D</td>
<td>√</td>
<td>T/D</td>
<td>√</td>
</tr>
<tr class="row-even"><td><a class="reference external" href="data_notes.html#ccenergies">ccenergies</a></td>
<td>N/A</td>
<td>√</td>
<td>√</td>
<td>T/D</td>
<td>√</td>
<td>T/D</td>
<td>√</td>
<td>√</td>
<td>T/D</td>
<td>√</td>
<td>√</td>
</tr>
<tr class="row-odd"><td><a class="reference external" href="data_notes.html#charge">charge</a></td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
</tr>
<tr class="row-even"><td><a class="reference external" href="data_notes.html#coreelectrons">coreelectrons</a></td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
</tr>
<tr class="row-odd"><td><a class="reference external" href="data_notes.html#enthalpy">enthalpy</a></td>
<td>T/D</td>
<td>T/D</td>
<td>T/D</td>
<td>T/D</td>
<td>√</td>
<td>T/D</td>
<td>T/D</td>
<td>T/D</td>
<td>T/D</td>
<td>T/D</td>
<td>√</td>
</tr>
<tr class="row-even"><td><a class="reference external" href="data_notes.html#entropy">entropy</a></td>
<td>T/D</td>
<td>T/D</td>
<td>T/D</td>
<td>T/D</td>
<td>T/D</td>
<td>T/D</td>
<td>T/D</td>
<td>T/D</td>
<td>T/D</td>
<td>T/D</td>
<td>√</td>
</tr>
<tr class="row-odd"><td><a class="reference external" href="data_notes.html#etenergies">etenergies</a></td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>T/D</td>
<td>√</td>
<td>√</td>
<td>T/D</td>
<td>T/D</td>
<td>√</td>
<td>T/D</td>
<td>√</td>
</tr>
<tr class="row-even"><td><a class="reference external" href="data_notes.html#etoscs">etoscs</a></td>
<td>√</td>
<td>T/D</td>
<td>√</td>
<td>T/D</td>
<td>√</td>
<td>√</td>
<td>T/D</td>
<td>T/D</td>
<td>√</td>
<td>T/D</td>
<td>√</td>
</tr>
<tr class="row-odd"><td><a class="reference external" href="data_notes.html#etrotats">etrotats</a></td>
<td>T/D</td>
<td>T/D</td>
<td>T/D</td>
<td>T/D</td>
<td>√</td>
<td>T/D</td>
<td>T/D</td>
<td>T/D</td>
<td>T/D</td>
<td>T/D</td>
<td>T/D</td>
</tr>
<tr class="row-even"><td><a class="reference external" href="data_notes.html#etsecs">etsecs</a></td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>T/D</td>
<td>√</td>
<td>√</td>
<td>T/D</td>
<td>T/D</td>
<td>√</td>
<td>T/D</td>
<td>√</td>
</tr>
<tr class="row-odd"><td><a class="reference external" href="data_notes.html#etsyms">etsyms</a></td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>T/D</td>
<td>√</td>
<td>√</td>
<td>T/D</td>
<td>T/D</td>
<td>√</td>
<td>T/D</td>
<td>√</td>
</tr>
<tr class="row-even"><td><a class="reference external" href="data_notes.html#fonames">fonames</a></td>
<td>√</td>
<td>N/A</td>
<td>N/A</td>
<td>N/A</td>
<td>N/A</td>
<td>N/A</td>
<td>N/A</td>
<td>N/A</td>
<td>N/A</td>
<td>N/A</td>
<td>N/A</td>
</tr>
<tr class="row-odd"><td><a class="reference external" href="data_notes.html#fooverlaps">fooverlaps</a></td>
<td>√</td>
<td>N/A</td>
<td>N/A</td>
<td>N/A</td>
<td>N/A</td>
<td>N/A</td>
<td>N/A</td>
<td>N/A</td>
<td>N/A</td>
<td>N/A</td>
<td>N/A</td>
</tr>
<tr class="row-even"><td><a class="reference external" href="data_notes.html#fragnames">fragnames</a></td>
<td>√</td>
<td>N/A</td>
<td>N/A</td>
<td>N/A</td>
<td>N/A</td>
<td>N/A</td>
<td>N/A</td>
<td>N/A</td>
<td>N/A</td>
<td>N/A</td>
<td>N/A</td>
</tr>
<tr class="row-odd"><td><a class="reference external" href="data_notes.html#frags">frags</a></td>
<td>√</td>
<td>N/A</td>
<td>N/A</td>
<td>N/A</td>
<td>N/A</td>
<td>N/A</td>
<td>N/A</td>
<td>N/A</td>
<td>N/A</td>
<td>N/A</td>
<td>N/A</td>
</tr>
<tr class="row-even"><td><a class="reference external" href="data_notes.html#freeenergy">freeenergy</a></td>
<td>T/D</td>
<td>T/D</td>
<td>T/D</td>
<td>T/D</td>
<td>T/D</td>
<td>T/D</td>
<td>T/D</td>
<td>T/D</td>
<td>T/D</td>
<td>T/D</td>
<td>√</td>
</tr>
<tr class="row-odd"><td><a class="reference external" href="data_notes.html#gbasis">gbasis</a></td>
<td>T/D</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
</tr>
<tr class="row-even"><td><a class="reference external" href="data_notes.html#geotargets">geotargets</a></td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
</tr>
<tr class="row-odd"><td><a class="reference external" href="data_notes.html#geovalues">geovalues</a></td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
</tr>
<tr class="row-even"><td><a class="reference external" href="data_notes.html#grads">grads</a></td>
<td>T/D</td>
<td>T/D</td>
<td>T/D</td>
<td>T/D</td>
<td>√</td>
<td>T/D</td>
<td>T/D</td>
<td>T/D</td>
<td>T/D</td>
<td>T/D</td>
<td>√</td>
</tr>
<tr class="row-odd"><td><a class="reference external" href="data_notes.html#hessian">hessian</a></td>
<td>T/D</td>
<td>T/D</td>
<td>T/D</td>
<td>T/D</td>
<td>T/D</td>
<td>T/D</td>
<td>√</td>
<td>T/D</td>
<td>T/D</td>
<td>T/D</td>
<td>√</td>
</tr>
<tr class="row-even"><td><a class="reference external" href="data_notes.html#homos">homos</a></td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
</tr>
<tr class="row-odd"><td><a class="reference external" href="data_notes.html#metadata">metadata</a></td>
<td>T/D</td>
<td>√</td>
<td>T/D</td>
<td>T/D</td>
<td>T/D</td>
<td>T/D</td>
<td>T/D</td>
<td>T/D</td>
<td>T/D</td>
<td>T/D</td>
<td>T/D</td>
</tr>
<tr class="row-even"><td><a class="reference external" href="data_notes.html#mocoeffs">mocoeffs</a></td>
<td>√</td>
<td>T/D</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
</tr>
<tr class="row-odd"><td><a class="reference external" href="data_notes.html#moenergies">moenergies</a></td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
</tr>
<tr class="row-even"><td><a class="reference external" href="data_notes.html#moments">moments</a></td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>T/D</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
</tr>
<tr class="row-odd"><td><a class="reference external" href="data_notes.html#mosyms">mosyms</a></td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>T/D</td>
<td>√</td>
<td>T/D</td>
<td>√</td>
<td>√</td>
</tr>
<tr class="row-even"><td><a class="reference external" href="data_notes.html#mpenergies">mpenergies</a></td>
<td>N/A</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>T/D</td>
<td>√</td>
<td>√</td>
</tr>
<tr class="row-odd"><td><a class="reference external" href="data_notes.html#mult">mult</a></td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
</tr>
<tr class="row-even"><td><a class="reference external" href="data_notes.html#natom">natom</a></td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
</tr>
<tr class="row-odd"><td><a class="reference external" href="data_notes.html#nbasis">nbasis</a></td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
</tr>
<tr class="row-even"><td><a class="reference external" href="data_notes.html#nmo">nmo</a></td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
</tr>
<tr class="row-odd"><td><a class="reference external" href="data_notes.html#nocoeffs">nocoeffs</a></td>
<td>T/D</td>
<td>T/D</td>
<td>√</td>
<td>T/D</td>
<td>√</td>
<td>T/D</td>
<td>T/D</td>
<td>T/D</td>
<td>T/D</td>
<td>T/D</td>
<td>T/D</td>
</tr>
<tr class="row-even"><td><a class="reference external" href="data_notes.html#nooccnos">nooccnos</a></td>
<td>T/D</td>
<td>T/D</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>T/D</td>
<td>T/D</td>
<td>T/D</td>
<td>T/D</td>
<td>T/D</td>
<td>T/D</td>
</tr>
<tr class="row-odd"><td><a class="reference external" href="data_notes.html#optdone">optdone</a></td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
</tr>
<tr class="row-even"><td><a class="reference external" href="data_notes.html#optstatus">optstatus</a></td>
<td>T/D</td>
<td>T/D</td>
<td>T/D</td>
<td>T/D</td>
<td>√</td>
<td>T/D</td>
<td>T/D</td>
<td>T/D</td>
<td>T/D</td>
<td>√</td>
<td>T/D</td>
</tr>
<tr class="row-odd"><td><a class="reference external" href="data_notes.html#polarizabilities">polarizabilities</a></td>
<td>T/D</td>
<td>√</td>
<td>√</td>
<td>T/D</td>
<td>√</td>
<td>T/D</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>T/D</td>
<td>√</td>
</tr>
<tr class="row-even"><td><a class="reference external" href="data_notes.html#scancoords">scancoords</a></td>
<td>T/D</td>
<td>T/D</td>
<td>T/D</td>
<td>T/D</td>
<td>T/D</td>
<td>T/D</td>
<td>T/D</td>
<td>T/D</td>
<td>T/D</td>
<td>T/D</td>
<td>T/D</td>
</tr>
<tr class="row-odd"><td><a class="reference external" href="data_notes.html#scanenergies">scanenergies</a></td>
<td>T/D</td>
<td>T/D</td>
<td>T/D</td>
<td>T/D</td>
<td>T/D</td>
<td>T/D</td>
<td>T/D</td>
<td>T/D</td>
<td>T/D</td>
<td>T/D</td>
<td>T/D</td>
</tr>
<tr class="row-even"><td><a class="reference external" href="data_notes.html#scannames">scannames</a></td>
<td>T/D</td>
<td>T/D</td>
<td>T/D</td>
<td>T/D</td>
<td>T/D</td>
<td>T/D</td>
<td>T/D</td>
<td>T/D</td>
<td>T/D</td>
<td>T/D</td>
<td>T/D</td>
</tr>
<tr class="row-odd"><td><a class="reference external" href="data_notes.html#scanparm">scanparm</a></td>
<td>T/D</td>
<td>T/D</td>
<td>T/D</td>
<td>T/D</td>
<td>T/D</td>
<td>T/D</td>
<td>T/D</td>
<td>T/D</td>
<td>T/D</td>
<td>T/D</td>
<td>T/D</td>
</tr>
<tr class="row-even"><td><a class="reference external" href="data_notes.html#scfenergies">scfenergies</a></td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
</tr>
<tr class="row-odd"><td><a class="reference external" href="data_notes.html#scftargets">scftargets</a></td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
</tr>
<tr class="row-even"><td><a class="reference external" href="data_notes.html#scfvalues">scfvalues</a></td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
</tr>
<tr class="row-odd"><td><a class="reference external" href="data_notes.html#temperature">temperature</a></td>
<td>T/D</td>
<td>T/D</td>
<td>T/D</td>
<td>T/D</td>
<td>√</td>
<td>T/D</td>
<td>T/D</td>
<td>T/D</td>
<td>T/D</td>
<td>T/D</td>
<td>√</td>
</tr>
<tr class="row-even"><td><a class="reference external" href="data_notes.html#time">time</a></td>
<td>T/D</td>
<td>T/D</td>
<td>T/D</td>
<td>T/D</td>
<td>T/D</td>
<td>T/D</td>
<td>T/D</td>
<td>T/D</td>
<td>T/D</td>
<td>T/D</td>
<td>T/D</td>
</tr>
<tr class="row-odd"><td><a class="reference external" href="data_notes.html#vibanharms">vibanharms</a></td>
<td>T/D</td>
<td>T/D</td>
<td>T/D</td>
<td>T/D</td>
<td>T/D</td>
<td>T/D</td>
<td>T/D</td>
<td>T/D</td>
<td>T/D</td>
<td>T/D</td>
<td>T/D</td>
</tr>
<tr class="row-even"><td><a class="reference external" href="data_notes.html#vibdisps">vibdisps</a></td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>T/D</td>
<td>√</td>
<td>√</td>
<td>√</td>
</tr>
<tr class="row-odd"><td><a class="reference external" href="data_notes.html#vibfreqs">vibfreqs</a></td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>T/D</td>
<td>√</td>
<td>√</td>
<td>√</td>
</tr>
<tr class="row-even"><td><a class="reference external" href="data_notes.html#vibirs">vibirs</a></td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>T/D</td>
<td>√</td>
<td>N/P</td>
<td>√</td>
</tr>
<tr class="row-odd"><td><a class="reference external" href="data_notes.html#vibramans">vibramans</a></td>
<td>T/D</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>T/D</td>
<td>T/D</td>
<td>T/D</td>
<td>√</td>
<td>T/D</td>
<td>√</td>
</tr>
<tr class="row-even"><td><a class="reference external" href="data_notes.html#vibsyms">vibsyms</a></td>
<td>T/D</td>
<td>√</td>
<td>T/D</td>
<td>T/D</td>
<td>√</td>
<td>√</td>
<td>√</td>
<td>T/D</td>
<td>T/D</td>
<td>√</td>
<td>T/D</td>
</tr>
</tbody>
</table>


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