Palladium Basis-Sets:


Pd_HAYWSC-2111d31_kokalj_1998_unpub

246 6
HAYWSC
0 1 2   8.0  1.00
 5.5239   0.5025  -0.3100
 4.3474  -1.2380  -0.0048
0 1 1   0.0  1.00
 1.5700   1.0000   1.0000
0 1 1   0.0  1.00
 0.6140   1.0000   1.0000
0 1 1   0.0  1.00
 0.1094   1.0000   1.0000
0 3 3  10.0  1.00
21.3200  -0.0071
 2.4540   2.3590
 0.9346   4.7211
0 3 1   0.0  1.00
 0.2833   1.0000


Pd_All_Electron_kokalj_1998_unpub
46 9
 0 0 9 2.0 1.2318            
  2290470.0     0.0000487 
   345418.0     0.000378 
    74853.6     0.00224 
    18884.9     0.0112 
     5404.1     0.0467 
     1713.72    0.156 
      605.447   0.3522 
      238.439   0.426 
       99.1107  0.1791 
 0 1 7 8.0 1.2704            
     6236.55   -0.000332   0.00103 
     1441.78   -0.0064     0.00951 
      437.88   -0.0552     0.0569 
      153.917  -0.1472     0.219 
       60.948   0.1631     0.4579 
       27.42    0.6367     0.4239 
       12.9701  0.3724     0.1596 
 0 1 6 8.0 1.3443            
      120.585   0.00609   -0.0148 
       45.9687 -0.0363    -0.0717 
       19.4128 -0.3303     0.0507 
        8.5134  0.0551     0.9055 
        3.918   0.9509     1.2842 
        1.8291  0.3805     0.3963 
 0 3 6 10.0 1.0              
      317.395   0.0109 
       94.6159  0.0775 
       35.223   0.2641 
       14.41    0.4564 
        6.1175  0.3681 
        2.4836  0.078 
 0 1 3 8.0 1.0               
        5.6089 -4.0915    -0.0681 
        2.5566  1.4512     0.5443 
        1.1125  9.8104     0.9438 
 0 1 1 0.0 1.0               
        0.4130  1.0        1.0 
 0 1 1 0.0 1.0               
        0.1100       1.0       1.0 
 0 3 3 10.0 1.0              
        4.0458 -0.1819 
        1.5547 -0.4948 
        0.6024 -0.4779 
 0 3 1 0.0 1.0               
        0.2030  1.0 


Pd_POB_DZVP_2018

246 8
INPUT
18. 0 2 4 4 2 0
  12.798825 240.262789 0
   5.800528  34.729961 0
  11.874697  56.746929 0
  11.474335 113.444417 0
   5.515999   9.345639 0
   5.248043  18.345447 0
   8.502212  28.595554 0
   7.983324  43.453921 0
   3.107628   1.852286 0
   2.476734   1.406765 0
   9.679571 -10.987255 0
   9.691349 -14.626190 0
0 0 3 2 1.0
  8.47564000000       1.239239107600
  7.16571700000      -1.656310997000
  3.18211000000      -0.131786190600
0 0 1 2 1.0
  1.14459396000       1.000000000000
0 0 1 0 1.0
  0.76781060000       1.000000000000
0 2 4 6 1.0
  4.24609700000      -0.823241049730
  3.39259400000       0.870846599330
  1.19758912640       0.635122257910
  0.52673750585       0.272253387520
0 2 1 0 1.0
  0.15561720000       1.000000000000
0 3 4 8 1.0
  7.36132909850      -0.017199885828
  2.62910372580       0.233137452750
  1.12927446340       0.445363858670
  0.44471659896       0.392936504060
0 3 1 0 1.0
  0.15045324000       1.000000000000
0 4 1 0 1.0
  1.04629000000       1.000000000000


J. Laun, D. V. Oliveira, T. Bredow J. Comput. Chem.  (2018), 
" Consistent gaussian basis sets of double- and triple-zeta valence with polarization quality of the fifth period for solid-state calculations ", DOI: 10.1002/jcc.25195


Pd_POB_TZVP_2018

246 11
INPUT
18. 0 2 4 4 2 0
  12.798825 240.262789 0
   5.800528  34.729961 0
  11.874697  56.746929 0
  11.474335 113.444417 0
   5.515999   9.345639 0
   5.248043  18.345447 0
   8.502212  28.595554 0
   7.983324  43.453921 0
   3.107628   1.852286 0
   2.476734   1.406765 0
   9.679571 -10.987255 0
   9.691349 -14.626190 0
0 0 2 2 1.0
  18.000000000     -0.166053885980
  14.662134308      0.348999550550
0 0 1 2 1.0
  2.7664341900      1.000000000000
0 0 1 0 1.0
  1.2360194500      1.000000000000
0 0 1 0 1.0
  0.5036400300      1.000000000000
0 2 4 6 1.0
  12.552899300      0.061728998206
  7.2444496380     -0.241786267530
  1.8905941078      0.494532009150
  0.9073716876      0.504543626260
0 2 1 0 1.0
  0.8417222700      1.000000000000
0 2 1 0 1.0
  0.4066588400      1.000000000000
0 3 4 8 1.0
  22.357457575      0.003955947955
  10.682526382     -0.014039011601
  2.4858232550      0.242194767760
  1.0735333903      0.425802832810
0 3 1 0 1.0
  0.4357297000      1.000000000000
0 3 1 0 1.0
  0.1500019900      1.000000000000
0 4 1 0 1.0
  1.2462900000      1.000000000000


J. Laun, D. V. Oliveira, T. Bredow J. Comput. Chem.  (2018), 
" Consistent gaussian basis sets of double- and triple-zeta valence with polarization quality of the fifth period for solid-state calculations ", DOI: 10.1002/jcc.25195