10.6084/m9.figshare.97166.v1 Henry S. Rzepa Henry S. Rzepa Gaussian Job Archive for C2H4O figshare 2012 InChI=1S/C2H4O/c1-2-3/h2H,1H3 InChIKey=IKHGUXGNUITLKF-UHFFFAOYSA-N C(=O)C C2H4O rwb97xd/6-311G(d,p) irc(calcfc,recalc=10,maxpoints=150,maxcycle=40,t Organic Chemistry 2012-11-04 09:23:11 Dataset https://figshare.com/articles/dataset/Gaussian_Job_Archive_for_C2H4O/97166 Archive of work produced using the resources of the Imperial College High Performance Computing Service.