<?xml version='1.0' encoding='utf-8'?>
<documents xmlns='http://eprints.org/ep2/data/2.0'>
  <document id='https://researchdata.bath.ac.uk/id/document/16895'>
    <docid>16895</docid>
    <rev_number>2</rev_number>
    <files>
      <file id='https://researchdata.bath.ac.uk/id/file/58765'>
        <fileid>58765</fileid>
        <datasetid>document</datasetid>
        <objectid>16895</objectid>
        <filename>methylamine.out</filename>
        <mime_type>text/plain</mime_type>
        <hash>7a8d6c5ee88f7212a5ffdd0a6a21f160</hash>
        <hash_type>MD5</hash_type>
        <filesize>115629</filesize>
        <mtime>2023-01-25 11:57:33</mtime>
        <url>https://researchdata.bath.ac.uk/1240/3/methylamine.out</url>
      </file>
    </files>
    <eprintid>1240</eprintid>
    <pos>3</pos>
    <placement>3</placement>
    <mime_type>text/plain</mime_type>
    <format>other</format>
    <formatdesc>Gaussian 16 output file for the methylamine nucleophile, optimised at the wB97X-D/def2-TZVP level of theory with the IEFPCM(water) implicit solvent model.</formatdesc>
    <language>en</language>
    <security>public</security>
    <license>cc_by</license>
    <main>methylamine.out</main>
    <content>data</content>
  </document>
</documents>
