Gold Basis-Sets:


Au_doll_1998

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).


Au_weihrich_2006

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).



Au_pob_TZVP_rev2

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