Gaussian Job Archive for C3H13NO4 Henry S. Rzepa 10.6084/m9.figshare.95985.v1 https://figshare.com/articles/dataset/Gaussian_Job_Archive_for_C3H13NO4/95985 Archive of work produced using the resources of the Imperial College High Performance Computing Service. 2012-09-22 19:58:37 InChI=1S/C3H10NO2.H2O.HO/c1-3(2,5)4-6;;/h5-6H,4H2,1-2H3;1H2;1H InChIKey=GWCKRYUBOQBFIT-UHFFFAOYSA-N C(O)(C)(C)[NH2]O.[OH].O C3H13NO4 rwb97xd/6-311G(d,p) scrf(cpcm,solvent=water) integral=grid=ultrafine Organic Chemistry