Iridium Basis-Sets:


Ir_HAYWLC_34132d31G_Pielnhofer_2015
277 7
INPUT
17. 5 6 5 5 5 0
 823.5880147             -0.1578014 -1
 364.6613336          -1517.5270446  0
  55.7082801           -316.5306529  0
  12.0464544            -91.8880941  0
   3.5120610             -9.2241773  0
 188.0490770              3.1578014 -2
 340.4194712             26.8322577 -1
 128.2373673            800.4250007  0
  33.8644961            369.4050683  0
   4.7560005            242.4171899  0
   3.9649974           -118.2173282  0
 289.7291139              2.1578014 -2
  87.4633789             61.9678610 -1
  30.4363766            269.0581986  0
   4.0553412            231.1654793  0
   3.5525341           -133.6952667  0
 136.4017106              3.1578014 -2
  95.0776925             45.9349803 -1
  49.2258410            359.0344668  0
  15.0874145            176.4740119  0
   4.0405764             54.5155286  0
 127.3507908              3.9546197 -2
  66.2364374             52.9773655 -1
  34.4299229            274.8643383  0
  10.1995721            137.2047338  0
   2.5409702             14.8633305  0
0 0 3 2. 1.
      2.3500000             -1.6784642
      1.5820000              2.0952553
      0.5018000              0.4162934
0 0 4 2. 1.
      2.3500000              1.6464467
      1.5820000             -2.2748150
      0.5018000             -1.0494357
      0.2500000              1.2167791
0 0 1 0. 1.
      0.1200000              1.0000000
0 2 3 6. 1.
      2.7920000             -0.3889212
      1.5410000              0.9077516
      0.5285000              0.4691443
0 2 2 0. 1.
      0.5100000             -0.1170669
      0.1750000              1.0489002
0 3 2 7. 1.
      1.2715516              0.5087022
      0.4965968              0.5862102
0 3 1 0. 1.
      0.1500000              1.0000000

Recently used in:
F. Pielnhofer, M. Schöneich, T. Lorenz, W. Yan, T. Nilges, R. Weihrich, P. Schmidt
A Rational Approach to IrPTe – DFT and CalPhaD Studies on Phase Stability, Formation, and Structure of IrPTe
Z. Anorg. Allg. Chem. 2015, 641, 1099-1105


Ir_pob_TZVP_rev2
277 11
INPUT
17. 0 2 4 4 2 2
 13.831474 426.958149 0
  7.047914  65.338813 0
 11.106433  88.075442 0
 10.456552 176.124770 0
  6.379614  12.682260 0
  5.064726  24.635949 0
  7.548754  46.433258 0
  7.265308  69.638074 0
  3.800969   6.150248 0
  3.718280   9.463560 0
  3.098706   9.483610 0
  3.049461  12.642742 0
  4.969790 -10.410697 0
  4.935614 -12.863196 0
0 0 3 2 1.0
  30.0000000000       0.307979032280
  27.0000000000      -0.467263617810
  13.9619739110       0.471610031460
0 0 1 2 1.0
  5.47856190000       1.000000000000
0 0 1 0 1.0
  1.03410270000       1.000000000000
0 0 1 0 1.0
  0.15511300000       1.000000000000
0 2 4 6 1.0
  15.9026641430      -0.162907200990
  14.4158306980       0.234832129870
  5.75976089910      -0.303053371760
  1.50089131080       0.555129820690
0 2 1 0 1.0
  0.79499330000       1.000000000000
0 2 1 0 1.0
  0.34430910000       1.000000000000
0 3 4 7 1.0
  8.63216925040       0.075000099949
  6.58981923020      -0.173269651730
  1.58083796630       0.550651969130
  0.71827834905       0.852736414360
0 3 1 0 1.0
  0.39656820000       1.000000000000
0 3 1 0 1.0
  0.20217030000       1.000000000000
0 4 1 0 1.0
  0.61008000000       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