Mercury Basis-Sets:


Hg_weihrich_2005

280 6
INPUT
20. 6 8 8 8 8 0
 447.189800 -54.985258 -1
 129.167900 -451.699333 0
 40.926900 -158.272432 0
 14.064900 -81.474892 0
 5.612000 -14.016169 0
 2.261900 -.945756 0
 41.914100 6.852801 -2
 46.423800 35.777025 -1
 17.265400 429.541681 0
 10.368400 -358.648234 0
 6.544800 454.723305 0
 4.367300 -201.981951 0
 3.299500 91.191325 0
 2.835700 -25.160120 0
 38.386900 5.870535 -2
 37.172000 33.641006 -1
 13.725000 371.703600 0
 8.602600 -379.296056 0
 5.539100 427.213635 0
 3.778400 -208.319952 0
 2.887300 101.145418 0
 2.494500 -29.687648 0
 28.095700 7.874576 -2
 26.724300 27.917931 -1
 10.026400 342.558191 0
 6.331600 -357.079302 0
 4.113400 337.589915 0
 2.835100 -181.202595 0
 2.152500 93.632888 0
 1.863200 -29.977787 0
 55.558000 4.220232 -2
 12.026800 56.038799 -1
 8.204100 -186.244192 0
 5.361800 376.673762 0
 3.484600 -360.876636 0
 2.401100 259.853040 0
 1.812500 -132.285709 0
 1.558000 41.199378 0
0 0 4 2. 1.
 2.4957 -3.9767
 2.0665 4.4020
 0.5553 0.4052
 0.1736 -0.0257
0 2 4 6. 1.
 3.7197 -0.5567
 2.4806 0.7352
 1.0219 0.6120
 0.4514 0.1716
0 3 3 10. 1.
 1.4419 0.5040
 0.5554 0.4601
 0.2163 0.1907
0 3 1 0. 1.
 0.124 1
0 0 4 2. 1.
 2.4957 1.8030
 2.0665 -2.1123
 0.5553 -0.2639
 0.1736 0.6512
0 1 1 0.0 1.0
 0.12 1.0 1.0

  R. Weihrich, I. Anusca, M. Zabel, 
``Halbantiperovskites: on the crystal structure of the shandites (Ni3In2S2) 
  and their structure relations to Hg3S2Cl2 and K2Sn2O3.'',
  Anorg. Allg. Chem. 631,  1463--1470 (2005)
  Note: ECP modified from Hay and Wadt, JCP 82, 1985


Hg_pob_TZVP_rev2

280 11
INPUT
20. 0 2 4 4 2 2
 12.413071 275.774797 0
  6.897913  49.267898 0
 11.310320  80.506984 0
 10.210773 161.034824 0
  5.939804   9.083416 0
  5.019755  18.367773 0
  8.407895  51.137256 0
  8.214086  76.707459 0
  4.012612   6.561821 0
  3.795398   9.818070 0
  3.273106   9.429001 0
  3.208321  12.494856 0
  4.485296  -6.338414 0
  4.513200  -8.099863 0
0 0 3 2 1.0
  48.0137869900       0.005800816491
  21.2398750950      -0.173281652350
  15.8761008790       0.364166850340
0 0 1 2 1.0
  5.75903016000       1.000000000000
0 0 1 0 1.0
  1.09413075000       1.000000000000
0 0 1 0 1.0
  0.15391724000       1.000000000000
0 2 4 6 1.0
  17.5000000000      -0.086457187331
  15.2525948550       0.153273182340
  6.44047151690      -0.302749552490
  1.81801599200       0.543612850260
0 2 1 0 1.0
  0.76252216000       1.000000000000
0 2 1 0 1.0
  0.23979495000       1.000000000000
0 3 4 10 1.0
  10.0281977010       0.039922353165
  7.59206614930      -0.094774230522
  1.91442561180       0.311641574630
  0.88641552102       0.455670784060
0 3 1 0 1.0
  0.65496994000       1.000000000000
0 3 1 0 1.0
  0.25845433000       1.000000000000
0 4 1 0 1.0
  0.69569000000       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