Rhenium Basis-Sets:

Re_cora_1991

275 4
INPUT
7. 6 6 5 6 0 0
 341.4416283      -0.1497104  -2
 115.4634850     -43.8574528  -1
  40.5580378    -229.7901906   0
  11.2759241    -101.3640312   0
   3.3967771     -23.5051700   0
   1.1070830      -3.6178541   0
 101.0857749       2.7555091  -2
  34.2983377      70.6591389  -1
  11.5707921     178.7034878   0
   3.3540317      50.1066112   0
   0.7432483      22.0145213   0
   0.6011833      -8.5755035   0
  94.6617320       1.8966314  -2
  30.8125403      54.7084064  -1
   9.9084101     131.5647971   0
   2.6363334      30.9572952   0
   0.6257650       9.5032921   0
  83.9171495       2.9393809  -2
  31.2351625      53.4995776  -1
  11.3300093     138.2787174   0
   2.8056816      61.4189098   0
   2.2303172     -23.6282276   0
   0.3547500      -0.2989651   0
0  1  1  2.  1.
   0.6000     1.00000  1.00000
0  1  1  0.  1.
   0.200     1.        1.
0  3  3  5.  1.
   1.2410       0.11100
   0.9910       0.31300
   0.3650       0.48700
0  3  1  0.  1.
   0.2350       1.00000

F.Cora',  Ph.D. Thesis - Torino (1991)

Re_pob_TZVP_rev2

275 11
INPUT
15. 0 2 4 4 2 2
 12.163814 421.970300 0
  7.107595  50.134439 0
  9.684597  88.481910 0
  9.476214 176.787220 0
  7.668066  10.434338 0
  5.055156  20.458743 0
  6.509888  43.162431 0
  6.091216  64.767759 0
  4.164006   5.340301 0
  4.407379   8.243332 0
  2.562658   7.244543 0
  2.521549   9.659266 0
  4.034599  -7.974940 0
  4.009628  -9.882736 0
0 0 3 2 1.0
  30.0000000000       0.317807178110
  27.0000000000      -0.464923213320
  13.0780456840       0.457236413050
0 0 1 2 1.0
  5.03527130000       1.000000000000
0 0 1 0 1.0
  0.84827060000       1.000000000000
0 0 1 0 1.0
  0.13708770000       1.000000000000
0 2 4 6 1.0
  18.0000000000      -0.026890962397
  12.3186062500       0.099711498502
  5.37192345050      -0.292893981450
  1.35066467480       0.514663014340
0 2 1 0 1.0
  0.70111920000       1.000000000000
0 2 1 0 1.0
  0.29071390000       1.000000000000
0 3 4 5 1.0
  7.73528776720       0.083901798556
  6.09494436100      -0.177222587340
  1.38711054970       0.552382596920
  0.62324027854       0.919801112390
0 3 1 0 1.0
  0.38849660000       1.000000000000
0 3 1 0 1.0
  0.20321100000       1.000000000000
0 4 1 0 1.0
  0.52989000000       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

Re_pob_TZVP_rev2_SOC

275 11
STUTSC
0 0 3 2 1.0
  30.0000000000       0.317807178110
  27.0000000000      -0.464923213320
  13.0780456840       0.457236413050
0 0 1 2 1.0
  5.03527130000       1.000000000000
0 0 1 0 1.0
  0.84827060000       1.000000000000
0 0 1 0 1.0
  0.13708770000       1.000000000000
0 2 4 6 1.0
  18.0000000000      -0.026890962397
  12.3186062500       0.099711498502
  5.37192345050      -0.292893981450
  1.35066467480       0.514663014340
0 2 1 0 1.0
  0.70111920000       1.000000000000
0 2 1 0 1.0
  0.29071390000       1.000000000000
0 3 4 5 1.0
  7.73528776720       0.083901798556
  6.09494436100      -0.177222587340
  1.38711054970       0.552382596920
  0.62324027854       0.919801112390
0 3 1 0 1.0
  0.38849660000       1.000000000000
0 3 1 0 1.0
  0.20321100000       1.000000000000
0 4 1 0 1.0
  0.52989000000       1.000000000000


J. Laun, T. Bredow J. Comput. Chem.  (2022), 43:839-846
"BSSE-corrected consistent Gaussian basis sets of triple-zeta valence with polarization quality of the fifth period for solid-state calculation", DOI: 10.1002/jcc.26839
Desmarais, J. K., Flament, J. P., Erba, A. (2020). Spin-orbit coupling in periodic systems with broken time-reversal symmetry: Formal and computational aspects. Physical Review B, 101(23), 235142.

Note: To be used with CRYSTAL23