Rzepa, Henry S. Gaussian Job Archive for C11H21ClN2O4 Archive of work produced using the resources of the Imperial College High Performance Computing Service. InChI=1S/C11H21N2O4.Cl/c1-12(2)5-8-6(13(3)4)10-7(14)9(5)16-11(15-8)17-10;/h5-12,14H,1-4H3;/t5-,6+,7-,8-,9+,10-,11+;/m0./s1;Freq;opt;wB97XD/6-311G(d,p);fr;rwb97xd/6-311G(d,p);GenChk;SCRF=Check;Guess=TCheck;Geom=AllCheck;#N;C11H21ClN2O4;[C@H]12[C@@H]([C@@H]3[C@@H]([C@H]([C@@H]1[NH](C)C)O[C@H](O2)O3)N(C)C)O.[Cl];InChIKey=DILQXLGCSOMBHR-NTXMXHLWSA-N;integral=(acc2e=12,grid=ultrafine);Organic Chemistry 2015-11-10
    https://figshare.com/articles/dataset/Gaussian_Job_Archive_for_C11H21ClN2O4/1598012
10.6084/m9.figshare.1598012.v1