Rhenium Basis-Sets:
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)
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
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