Yttrium Basis-Sets:


[ECP HAYWSC]
239 3
HAYWSC
0 1 3 8.0 1.0
  3.87710632535 0.240698694374 -0.110990397203
  2.67832616053 -0.81743893727 -0.0447243390536
  0.861411547924 0.843241417526 0.905500379629
0 1 1 2.0 1.0
  0.338 1.0 1.0
0 3 2 1.0 1.0
  0.996242225138 0.903211811619
  0.331873211212 1.80273382161

Steve Gennard & Furio Cora' - 2000 (Unpublished data)


buljan_1999

39  15
0 0 6 2. 1.
 147197.00      0.0016
 22066.570      0.0125
 5005.389      0.063
 1406.386      0.2191
 455.537      0.4655
 156.283      0.3793
0 0 3 2. 1.
 298.951      0.1108
 35.782      -0.6294
 15.071      -0.445
0 0 3 2. 1.
 27.842      0.2423
 4.732      -0.7531
 2.084      -0.3833
0 0 2 2. 1.
 3.629      0.2725
 0.996      -0.766
0 0 1 2. 1.
 1.143      1.
0 0 1 0. 1.
 0.58      1.
0 0 1 0. 1.
 0.31      1.
0 2 5 6. 1.
 2045.561      -0.0078
 483.065      -0.0602
 153.453      -0.2425
 55.792      -0.5036
 20.935      -0.36
0 2 2 6. 1.
 11.448      -0.3352
 4.760      -0.5433
0 2 1 6. 1.
 2.040      1.
0 2 1 0. 1.
 1.182      1.
0 2 1 0. 1.
 0.2      1.
0 3 4 10. 1.
 163.473      0.0175
 47.645      0.1139
 17.066      0.3404
 6.399      0.2938
0 3 2 1. 1.
 1.523      0.0888
 0.563      0.3771
0 3 1 0. 1.
 0.14      1


 Antonio Buljan, Pere Alemany, and Eliseo Ruiz
 Electronic Structure and Bonding in CuMO2 (M = Al, Ga, Y) 
 Delafossite-Type Oxides:  An Ab Initio Study
 J. Phys. Chem. B, 1999, 103 (38), pp 80608066


Y_POB_DZVP_2018

239 8
INPUT
11. 0 2 4 4 2 0
  7.858275 135.134974 0
  3.382128  15.411632 0
  6.849791  29.251437 0
  6.710092  58.508363 0
  3.042159   3.780243 0
  2.937330   7.676547 0
  5.416315  11.849911 0
  5.333416  17.778103 0
  1.976212   2.062383 0
  1.961111   3.075654 0
  5.028590  -6.928078 0
  5.005582  -9.155099 0
0 0 3 2 1.0
  5.13295800000     -1.386484545700
  4.24019200000      1.945958116600
  1.29828000000      0.441826031540
0 0 1 2 1.0
  0.68926375000      1.000000000000
0 0 1 0 1.0
  0.16497082000      1.000000000000
0 2 4 6 1.0
  2.72792000000     -0.372498849120
  1.97905000000      0.325720659960
  0.79980886805      0.500946555020
  0.38409397354      0.443859294930
0 2 1 0 1.0
  0.15022693000      1.000000000000
0 3 4 1 1.0
  3.90308330600     -0.009820979262
  1.13632343020      0.191836296640
  0.45617043877      0.405977885390
  0.17470950748      0.438614855180
0 3 1 0 1.0
  0.59408459000      1.000000000000
0 4 1 0 1.0
  0.26515000000      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


Y_POB_TZVP_2018

239 11
INPUT
11. 0 2 4 4 2 0
  7.858275 135.134974 0
  3.382128  15.411632 0
  6.849791  29.251437 0
  6.710092  58.508363 0
  3.042159   3.780243 0
  2.937330   7.676547 0
  5.416315  11.849911 0
  5.333416  17.778103 0
  1.976212   2.062383 0
  1.961111   3.075654 0
  5.028590  -6.928078 0
  5.005582  -9.155099 0
0 0 2 2 1.0
  10.0000000000     -0.174876867960
  8.50000000000      0.341523450840
0 0 1 0 1.0
  3.36539055000      1.000000000000
0 0 1 0 1.0
  0.68860679000      1.000000000000
0 0 1 0 1.0
  0.31191503000      1.000000000000
0 2 4 6 1.0
  8.05540936160      0.036410978939
  4.01634587510     -0.208725725470
  1.02329154040      0.489569293350
  0.49843561636      0.606119438330
0 2 1 0 1.0
  0.53307662000      1.000000000000
0 2 1 0 1.0
  0.18700948000      1.000000000000
0 3 3 3 1.0
  3.90308330600     -0.009820979262
  1.13632343020      0.191836296640
  0.45617043877      0.405977885390
0 3 1 0 1.0
  0.33346286000      1.000000000000
0 3 1 0 1.0
  0.18197880000      1.000000000000
0 4 1 0 1.0
  0.26515000000      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