Gold Basis-Sets:
279 9 INPUT 19. 2 4 4 4 0 0 4.789820 30.490089 0 2.394910 5.171074 0 13.205100 426.846679 0 6.602550 37.007083 0 4.789820 -30.490089 0 2.394910 -5.171074 0 10.452020 261.199580 0 5.226010 26.962496 0 4.789820 -30.490089 0 2.394910 -5.171074 0 7.851100 124.790666 0 3.925550 16.300726 0 4.789820 -30.490089 0 2.394910 -5.171074 0 0 0 3 2. 1 20.1152990 -0.1597614 12.1934770 0.7893559 6.0396260 -1.5714057 0 0 1 1. 1 1.3737210 1.0000000 0 0 1 0. 1 0.6500100 1.0000000 0 0 1 0. 1 0.171 1.0000000 0 2 2 6. 1 8.6096650 2.0982231 7.3353260 -3.0458670 0 2 2 0. 1 1.9129700 0.3791452 1.0576950 0.6456428 0 2 1 0. 1 0.452 1.0000000 0 3 4 10. 1 4.1439490 -0.4058458 3.5682570 0.4275070 1.3443240 0.4755405 0.5552890 0.5610972 0 3 1 0. 1 0.192 1.0000000 Doll K, Pyykko P, Stoll H, ''Closed-shell interaction in silver and gold chlorides, J. Chem. Phys. 109, 2339-2345, (1998).
279 7 INPUT 19. 5 6 4 5 0 0 622.6287956 -60.0000000 -1 136.2843607 -555.5292312 0 33.1549781 -168.0019785 0 9.9894895 -63.0399875 0 3.0481312 -4.2516681 0 194.7374304 3.0000000 -2 351.5327447 38.6020880 -1 122.3270402 864.8370727 0 32.0914617 374.9935520 0 5.2451812 289.7910100 0 4.4916223 -152.4532773 0 420.6158801 2.0000000 -2 109.4417815 73.8885625 -1 34.1714280 326.6729872 0 5.9879750 126.5814591 0 219.2666158 3.0000000 -2 122.7297786 55.6793149 -1 63.1063369 449.1987335 0 18.3684520 215.0269091 0 4.4972844 64.0840995 0 0 0 4 2. 1. 2.8090 -1.203037 1.5950 1.675385 0.5327 0.352918 0.2826 -0.001158 0 2 3 6. 1. 3.6840 -0.278885 1.6660 0.777981 0.5989 0.478106 0 0 4 1. 1. 2.8090 0.473068 1.5950 -0.759732 0.5327 -0.422037 0.2826 0.53240 0 0 1 0. 1 0.14 1.0 0 2 1 0. 1 0.22 1.0 0 3 2 10. 1. 1.2870 0.535907 0.4335 0.485830 0 3 1 0. 1. 0.25 1. Modified ECP from Hay and Wadt, JCP 82, 299 (1985) Used by R. Weihrich, I. Anusca, ``Halbantiperovskites II: on the structure of Pd3Bi2S2'', Z. Anorg. Allg. Chem. 632, 335--342 (2006).
279 11 INPUT 19. 0 2 4 4 2 2 13.523218 426.641867 0 6.264384 36.800668 0 11.413867 87.002091 0 10.329215 174.004370 0 5.707424 8.870610 0 4.828165 17.902438 0 7.430963 49.883655 0 8.321990 74.684549 0 4.609642 6.486227 0 3.511507 9.546821 0 3.084639 8.791640 0 3.024743 11.658456 0 3.978442 -5.234337 0 4.011491 -6.738142 0 0 0 3 2 1.0 30.0000000000 0.207492311080 27.0000000000 -0.332678933940 14.7468243310 0.383028179580 0 0 1 2 1.0 6.10568239000 1.000000000000 0 0 1 0 1.0 1.13068946000 1.000000000000 0 0 1 0 1.0 0.18001283000 1.000000000000 0 2 4 6 1.0 15.5000000000 0.150017118800 14.0000000000 -0.236098131830 6.42273682050 0.314588969480 1.65956016810 -0.572796704460 0 2 1 0 1.0 0.87155106000 1.000000000000 0 2 1 0 1.0 0.20887895000 1.000000000000 0 3 4 9 1.0 9.55240986560 0.040145559502 7.26988869370 -0.093690906606 1.77464967890 0.317462823170 0.79960541055 0.467951924830 0 3 1 0 1.0 0.55708019000 1.000000000000 0 3 1 0 1.0 0.28104926000 1.000000000000 0 4 1 0 1.0 0.72482000000 1.000000000000 J. Laun, T. Bredow "BSSE-corrected consistent Gaussian basis sets of triple-zeta valence with polarization quality of the sixth period for solid-state calculations", J. Comput. Chem. (2021) https://doi.org/10.1002/jcc.26521
279 11 STUTSC 0 0 3 2 1.0 30.0000000000 0.207492311080 27.0000000000 -0.332678933940 14.7468243310 0.383028179580 0 0 1 2 1.0 6.10568239000 1.000000000000 0 0 1 0 1.0 1.13068946000 1.000000000000 0 0 1 0 1.0 0.18001283000 1.000000000000 0 2 4 6 1.0 15.5000000000 0.150017118800 14.0000000000 -0.236098131830 6.42273682050 0.314588969480 1.65956016810 -0.572796704460 0 2 1 0 1.0 0.87155106000 1.000000000000 0 2 1 0 1.0 0.20887895000 1.000000000000 0 3 4 9 1.0 9.55240986560 0.040145559502 7.26988869370 -0.093690906606 1.77464967890 0.317462823170 0.79960541055 0.467951924830 0 3 1 0 1.0 0.55708019000 1.000000000000 0 3 1 0 1.0 0.28104926000 1.000000000000 0 4 1 0 1.0 0.72482000000 1.000000000000 J. Laun, T. Bredow J. Comput. Chem. (2022), 43:839-846 "BSSE-corrected consistent Gaussian basis sets of triple-zeta valence with polarization quality of the fifth period for solid-state calculation", DOI: 10.1002/jcc.26839 Desmarais, J. K., Flament, J. P., Erba, A. (2020). Spin-orbit coupling in periodic systems with broken time-reversal symmetry: Formal and computational aspects. Physical Review B, 101(23), 235142. Note: To be used with CRYSTAL23