10.6084/m9.figshare.93113.v1 M J Harvey M J Harvey Gaussian Job Archive for C2H6 figshare 2012 InChI=1S/C2H6/c1-2/h1-2H3 Pop=(Minimal) Freq RHF/STO-3G GenChk SCRF=Check Guess=TCheck Geom=AllCheck #N C2H6 cc InChIKey=OTMSDBZUPAUEDD-UHFFFAOYSA-N opt Organic Chemistry 2012-07-22 20:50:01 Dataset https://figshare.com/articles/dataset/Gaussian_Job_Archive_for_C2H6/93113 <p>Gaussian Job Archive</p>