!---------------------------------------------------------------------- ! Basis Set Exchange ! Version 0.10 ! https://www.basissetexchange.org !---------------------------------------------------------------------- ! Basis set: Stuttgart RSC Segmented + ECP ! Description: Stuttgart RSC 1997 + Quadruple Zeta Basis Set designed ! for an ECP ! Role: orbital ! Version: 0 (Data from the original Basis Set Exchange) !---------------------------------------------------------------------- $DATA CERIUM S 5 1 66920.68100 0.000005 2 7142.41900 0.000062 3 1149.22790 0.000408 4 626.04740 0.000080 5 137.28130 0.003559 S 1 1 36.64340 1.0 S 1 1 25.97420 1.0 S 1 1 11.88590 1.0 S 1 1 3.02840 1.0 S 1 1 1.56640 1.0 S 1 1 0.59370 1.0 S 1 1 0.26300 1.0 S 1 1 0.04900 1.0 S 1 1 0.02070 1.0 P 6 1 3813.80260 0.000005 2 1216.94470 0.000051 3 496.66410 0.000053 4 212.54310 0.000671 5 27.63060 0.008805 6 19.60400 0.150861 P 1 1 13.89180 1.0 P 1 1 4.43890 1.0 P 1 1 2.33740 1.0 P 1 1 1.10670 1.0 P 1 1 0.52870 1.0 P 1 1 0.23050 1.0 P 1 1 0.08000 1.0 D 6 1 367.71570 0.000120 2 109.87980 0.000991 3 36.02110 0.007778 4 14.76370 -0.062958 5 7.32810 0.180342 6 3.94410 0.432529 D 1 1 2.02020 1.0 D 1 1 0.96490 1.0 D 1 1 0.32730 1.0 D 1 1 0.10320 1.0 F 5 1 123.48210 0.001566 2 43.98810 0.018101 3 19.45180 0.076157 4 8.60130 0.192683 5 3.80490 0.324332 F 1 1 1.61760 1.0 F 1 1 0.63640 1.0 F 1 1 0.21640 1.0 G 4 1 19.45180 0.002199 2 8.60130 0.037428 3 3.80490 0.030378 4 1.61760 0.355664 G 1 1 0.63640 1.0 G 1 1 0.21640 1.0 $END $ECP CE-ECP GEN 28 5 1 ----- h-ul potential ----- 0.000000000 2 1.000000000 1 ----- s-h potential ----- 580.083457000 2 20.137829000 1 ----- p-h potential ----- 310.302833000 2 15.998482000 1 ----- d-h potential ----- 167.813944000 2 14.974187000 1 ----- f-h potential ----- -49.390229000 2 23.402455000 1 ----- g-h potential ----- -21.331879000 2 16.570553000 $END