10.6084/m9.figshare.97635.v1
Henry S. Rzepa
Henry S.
Rzepa
Gaussian Job Archive for C5H3NO2S
figshare
2012
InChI=1S/C2H3N.C2S.CO2/c2*1-2-3;2-1-3/h1H3;;
InChIKey=QBBPYHCWZZPPAX-UHFFFAOYSA-N
C(#N)C.[C][C][S].C(=O)=O
C5H3NO2S
rwb97xd/6-311G(d,p)
Freq
integral=grid=ultrafine
Organic Chemistry
2012-11-16 09:15:04
Dataset
https://figshare.com/articles/dataset/Gaussian_Job_Archive_for_C5H3NO2S/97635
Archive of work produced using the resources of the Imperial College High Performance Computing Service.