The Fileset manifest (for machines only)

<?xml version="1.0"?>
<atom:entry xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#" xmlns:atom="http://www.w3.org/2005/Atom" xmlns:ore="http://www.openarchives.org/ore/terms/" xmlns:oreatom="http://www.openarchives.org/ore/atom/" xmlns:dcterms="http://purl.org/dc/terms/">
<atom:id>https://data.hpc.imperial.ac.uk/resolve/?ore=7246</atom:id>
<atom:link rel="alternate" href="https://doi.org/10.14469/hpc/7246">https://data.hpc.imperial.ac.uk/resolve/?ore=7246</atom:link>
<atom:link rel="http://www.openarchives.org/ore/terms/describes" href="https://data.hpc.imperial.ac.uk/resolve/?ore=7246">https://data.hpc.imperial.ac.uk/resolve/?ore=7246</atom:link>
<atom:link rel="self" href="https://data.hpc.imperial.ac.uk/resolve/?ore=7246" type="application/atom+xml">https://data.hpc.imperial.ac.uk/resolve/?ore=7246</atom:link>
<atom:published>2020-06-13 06:44:12.949759</atom:published>
<atom:source><atom:generator uri="https://data.hpc.imperial.ac.uk">Imperial College London HPC Service Data Repository</atom:generator></atom:source>
<atom:title>CH3-I-CC CCSD(T)/Def2-TZVPPD/SCRF=DCM E -412.8495128 (reactant) TS migration from reactant E = 412.7893362 (13.7 below CC + IMe) G = -412.777622</atom:title>
<atom:category scheme="http://Www.dspace.org/objectModel/" term="DSpaceItem" label="DSpace Item"/>
<atom:link rel="http://www.openarchives.org/ore/terms/aggregates" 
href="https://data.hpc.imperial.ac.uk/resolve?doi=7246&file=1" title="log_10066992.log" type="chemical/x-gaussian-log" length="5428515"/>
<atom:link rel="http://www.openarchives.org/ore/terms/aggregates" 
href="https://data.hpc.imperial.ac.uk/resolve?doi=7246&file=2" title="checkpoint_10066992.fchk" type="chemical/x-gaussian-checkpoint>="2095876"/>
<atom:link rel="http://www.openarchives.org/ore/terms/aggregates" 
href="https://data.hpc.imperial.ac.uk/resolve?doi=7246&file=3" title="cml_10066992.xml" type="application/xml" length="993"/>
<atom:link rel="http://www.openarchives.org/ore/terms/aggregates" 
href="https://data.hpc.imperial.ac.uk/resolve?doi=7246&file=4" title="miga.gjf" type="chemical/x-gaussian-input" length="5590"/>
<oreatom:triples xmlns:oreatom="oreatom">
<rdf:Description xmlns:rdf="rdf" about="https://data.hpc.imperial.ac.uk/resolve?doi=7246&file=0"><dcterms:description xmlns:dcterms="dcterms">ORIGINAL</dcterms:description>
<rdf:type resource="http://www.dspace.org/objectModel/DSpaceBitstream"/></rdf:Description>
<rdf:Description xmlns:rdf="rdf" about="https://data.hpc.imperial.ac.uk/resolve?doi=7246&file=1">
<dcterms:description xmlns:dcterms="dcterms">ORIGINAL</dcterms:description>
<rdf:type resource="http://www.dspace.org/objectModel/DSpaceBitstream"/></rdf:Description>
<rdf:Description xmlns:rdf="rdf" about="https://data.hpc.imperial.ac.uk/resolve?doi=7246&file=2">
<dcterms:description xmlns:dcterms="dcterms">ORIGINAL</dcterms:description>
<rdf:type resource="http://www.dspace.org/objectModel/DSpaceBitstream"/></rdf:Description>
<rdf:Description xmlns:rdf="rdf" about="https://data.hpc.imperial.ac.uk/resolve?doi=7246&file=3">
<dcterms:description xmlns:dcterms="dcterms">ORIGINAL</dcterms:description>
<rdf:type resource="http://www.dspace.org/objectModel/DSpaceBitstream"/></rdf:Description></oreatom:triples>
</atom:entry>