Gaussian Job Archive for C11H20N2 Henry S. Rzepa 10.6084/m9.figshare.96412.v1 https://figshare.com/articles/dataset/Gaussian_Job_Archive_for_C11H20N2/96412 Archive of work produced using the resources of the Imperial College High Performance Computing Service. 2012-10-12 15:43:17 InChI=1S/C11H21N2/c1-8(2)12-7-13(9(3)4)11(6)10(12)5/h7-9H,1-6H3 InChIKey=YWRUUQFSUXKWKJ-UHFFFAOYSA-N N1([CH]N(C(=C1C)C)C(C)C)C(C)C C11H20N2 Freq b3lyp/gen scrf=(cpcm,solvent=toluene) integral=grid=ultrafine Organic Chemistry