COBALT BASIS SETS FOR THE CRYSTAL PROGRAM ========================================= TCM CRYSTAL basis set library: https://vallico.net/mike_towler/crystal.html Title: cobalt Author: M.D. Towler When: 1992 Comments: optimised in CoO Use: CoO - M.D. Towler (unpublished work) KCoF3 - Ref.1 Refs: (1) R Dovesi and FF Fava, Faraday Discussions, 106, p.173 (1997) 27 7 0 0 8 2.0 1.0 341701.0 0.000227 48850.0 0.001929 10400.9 0.0111 2718.99 0.0501 819.661 0.1705 283.878 0.3692 111.017 0.4033 46.4757 0.1433 0 1 6 8.0 1.0 855.558 -0.0054 0.0088 206.504 -0.0684 0.062 69.0516 -0.1316 0.2165 27.2653 0.2616 0.4095 11.5384 0.6287 0.3932 4.2017 0.2706 0.225 0 1 4 8.0 0.9996 51.5542 0.0182 -0.0287 18.9092 -0.2432 -0.0937 7.7251 -0.849 0.2036 3.5428 0.8264 1.4188 0 1 1 0.0 1.0 1.4946 1.0 1.0 0 1 1 0.0 1.0 0.5985 1.0 1.0 0 3 4 7.0 1.0118 29.9009 0.0617 8.1164 0.2835 2.6433 0.529 0.8869 0.4976 0 3 1 0.0 1.0 0.2824 1.0