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>