TY - DATA T1 - Gaussian Job Archive for C15HCo6O15(1-) PY - 2013/07/08 AU - Henry S. Rzepa UR - https://figshare.com/articles/dataset/Gaussian_Job_Archive_for_C15HCo6O15_1-_/741232 DO - 10.6084/m9.figshare.741232.v1 L4 - https://ndownloader.figshare.com/files/1113471 L4 - https://ndownloader.figshare.com/files/1113472 L4 - https://ndownloader.figshare.com/files/1113473 L4 - https://ndownloader.figshare.com/files/1113474 L4 - https://ndownloader.figshare.com/files/1113475 L4 - https://ndownloader.figshare.com/files/1113476 KW - InChI=1S/15CO.6Co.H/c15*1-2;;;;;;; KW - InChIKey=XTUQXLDAWZPPHR-UHFFFAOYSA-N KW - [Co]123([Co]4([CoH]51([C][O])C(=O)[Co]([C][O])([C][O])C(=O)[Co]124([Co]([C][O])([C][O])(C5=O)C1=O)[C][O])(C3=O)([C][O])[C][O])([C][O])[C][O] KW - C15HCo6O15(1-) KW - wB97XD/6-311G(d,p) KW - output=wfn KW - scf(fermi) KW - Organic Chemistry N2 - Archive of work produced using the resources of the Imperial College High Performance Computing Service. ER -