!---------------------------------------------------------------------- ! Basis Set Exchange ! Version 0.12 ! 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 LANTHANUM S 5 1 60228.61300 0.000003 2 7142.41900 0.000035 3 1034.30510 0.000329 4 563.44270 -0.000106 5 123.55320 0.003280 S 1 1 34.55440 1.0 S 1 1 24.63300 1.0 S 1 1 11.26600 1.0 S 1 1 2.90620 1.0 S 1 1 1.54330 1.0 S 1 1 0.56720 1.0 S 1 1 0.25390 1.0 S 1 1 0.04670 1.0 S 1 1 0.02000 1.0 P 6 1 3966.35470 0.000004 2 1143.92800 0.000033 3 446.99770 0.000034 4 229.54660 0.000362 5 27.32670 -0.007136 6 19.48640 0.206654 P 1 1 13.90240 1.0 P 1 1 4.23610 1.0 P 1 1 2.29360 1.0 P 1 1 1.12580 1.0 P 1 1 0.52790 1.0 P 1 1 0.22920 1.0 P 1 1 0.08000 1.0 D 6 1 367.71570 0.000074 2 113.57680 0.000612 3 33.55880 0.007687 4 14.41980 -0.076510 5 7.31590 0.151754 6 3.94830 0.421873 D 1 1 2.01500 1.0 D 1 1 0.95810 1.0 D 1 1 0.31090 1.0 D 1 1 0.09540 1.0 F 5 1 124.79710 0.001150 2 43.94270 0.014333 3 19.26680 0.062594 4 8.48930 0.164000 5 3.76720 0.285863 F 1 1 1.59020 1.0 F 1 1 0.60980 1.0 F 1 1 0.19730 1.0 G 4 1 19.26680 -0.002118 2 8.48930 0.026709 3 3.76720 -0.029667 4 1.59020 0.282785 G 1 1 0.60980 1.0 G 1 1 0.19730 1.0 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 PRASEODYMIUM S 5 1 66920.68100 0.000008 2 10906.62500 0.000050 3 2635.41470 0.000243 4 713.90510 0.000876 5 140.01390 0.004176 S 1 1 38.12800 1.0 S 1 1 26.98550 1.0 S 1 1 12.49590 1.0 S 1 1 3.18780 1.0 S 1 1 1.64510 1.0 S 1 1 0.61850 1.0 S 1 1 0.27310 1.0 S 1 1 0.05060 1.0 S 1 1 0.02120 1.0 P 6 1 3932.05670 0.000011 2 1373.43970 0.000027 3 647.67480 0.000160 4 186.89920 0.001158 5 27.63060 0.025210 6 19.60400 0.101136 P 1 1 13.92240 1.0 P 1 1 4.72400 1.0 P 1 1 2.46480 1.0 P 1 1 1.15880 1.0 P 1 1 0.54600 1.0 P 1 1 0.23590 1.0 P 1 1 0.08000 1.0 D 6 1 355.96150 0.000193 2 107.14140 0.001545 3 37.55620 0.009004 4 15.08590 -0.047296 5 7.38320 0.202337 6 3.97950 0.435374 D 1 1 2.04690 1.0 D 1 1 0.97940 1.0 D 1 1 0.32960 1.0 D 1 1 0.10260 1.0 F 5 1 124.50830 0.001885 2 44.58370 0.020949 3 19.87310 0.085208 4 8.91020 0.205312 5 3.99770 0.333403 F 1 1 1.72850 1.0 F 1 1 0.69360 1.0 F 1 1 0.24180 1.0 G 4 1 19.87310 0.005838 2 8.91020 0.043248 3 3.99770 0.072269 4 1.72850 0.347834 G 1 1 0.69360 1.0 G 1 1 0.24180 1.0 NEODYMIUM S 5 1 67945.59000 0.000015 2 9404.40830 0.000125 3 2084.31770 0.000610 4 586.98950 0.001773 5 142.94060 0.005392 S 1 1 39.67220 1.0 S 1 1 28.08780 1.0 S 1 1 13.05690 1.0 S 1 1 3.35140 1.0 S 1 1 1.72470 1.0 S 1 1 0.64270 1.0 S 1 1 0.28280 1.0 S 1 1 0.05190 1.0 S 1 1 0.02170 1.0 P 6 1 4017.48130 0.000016 2 1360.61920 0.000063 3 507.15080 0.000363 4 159.69520 0.001969 5 27.63060 0.042440 6 19.60400 0.045953 P 1 1 13.90960 1.0 P 1 1 4.93950 1.0 P 1 1 2.54490 1.0 P 1 1 1.18100 1.0 P 1 1 0.55520 1.0 P 1 1 0.23950 1.0 P 1 1 0.08000 1.0 D 6 1 350.96120 0.000282 2 105.96210 0.002222 3 38.47040 0.011016 4 15.48260 -0.031804 5 7.42600 0.223994 6 3.99960 0.436874 D 1 1 2.06420 1.0 D 1 1 0.98980 1.0 D 1 1 0.33700 1.0 D 1 1 0.10510 1.0 F 5 1 126.08450 0.002172 2 45.16790 0.023585 3 20.17000 0.094142 4 9.09990 0.217456 5 4.10850 0.339612 F 1 1 1.79140 1.0 F 1 1 0.72580 1.0 F 1 1 0.25620 1.0 G 4 1 20.17000 0.010358 2 9.09990 0.058619 3 4.10850 0.114435 4 1.79140 0.411489 G 1 1 0.72580 1.0 G 1 1 0.25620 1.0 PROMETHIUM S 5 1 69642.71500 0.000029 2 10512.97600 0.000217 3 2302.55780 0.001136 4 604.17620 0.003688 5 155.76230 0.007763 S 1 1 43.08520 1.0 S 1 1 27.87440 1.0 S 1 1 13.73950 1.0 S 1 1 3.48690 1.0 S 1 1 1.78600 1.0 S 1 1 0.66590 1.0 S 1 1 0.29190 1.0 S 1 1 0.05300 1.0 S 1 1 0.02210 1.0 P 6 1 4008.91710 0.000021 2 1250.04320 0.000103 3 457.07660 0.000535 4 151.27800 0.002551 5 28.19060 0.052730 6 20.01270 0.014725 P 1 1 14.22330 1.0 P 1 1 5.16200 1.0 P 1 1 2.64240 1.0 P 1 1 1.21720 1.0 P 1 1 0.56910 1.0 P 1 1 0.24440 1.0 P 1 1 0.08000 1.0 D 6 1 341.80600 0.000435 2 102.94180 0.003420 3 38.22340 0.014991 4 16.12460 -0.011413 5 7.42430 0.242763 6 4.01770 0.431309 D 1 1 2.08840 1.0 D 1 1 1.00410 1.0 D 1 1 0.34370 1.0 D 1 1 0.10720 1.0 F 5 1 126.65160 0.002610 2 45.66720 0.027331 3 20.49490 0.102934 4 9.31030 0.227274 5 4.23510 0.343131 F 1 1 1.86040 1.0 F 1 1 0.75850 1.0 F 1 1 0.26920 1.0 G 4 1 20.49490 0.011951 2 9.31030 0.056173 3 4.23510 0.118380 4 1.86040 0.339065 G 1 1 0.75850 1.0 G 1 1 0.26920 1.0 SAMARIUM S 5 1 70078.17100 0.000097 2 10598.38400 0.000730 3 2413.86600 0.003523 4 677.40310 0.010873 5 208.50730 0.017824 S 1 1 39.36630 1.0 S 1 1 27.98750 1.0 S 1 1 14.34260 1.0 S 1 1 3.61280 1.0 S 1 1 1.84520 1.0 S 1 1 0.68750 1.0 S 1 1 0.30010 1.0 S 1 1 0.05390 1.0 S 1 1 0.02240 1.0 P 6 1 3990.19500 0.000033 2 1108.06210 0.000205 3 385.81320 0.000983 4 134.97630 0.003882 5 28.61990 0.064056 6 20.31750 -0.022684 P 1 1 14.38990 1.0 P 1 1 5.30930 1.0 P 1 1 2.69080 1.0 P 1 1 1.22020 1.0 P 1 1 0.57260 1.0 P 1 1 0.24670 1.0 P 1 1 0.08000 1.0 D 6 1 398.01540 0.000433 2 115.54660 0.003852 3 41.89370 0.017324 4 20.77430 0.005743 5 7.53040 0.259983 6 4.04540 0.431478 D 1 1 2.10120 1.0 D 1 1 1.01050 1.0 D 1 1 0.34750 1.0 D 1 1 0.10830 1.0 F 5 1 127.18630 0.003050 2 45.93960 0.031145 3 20.62340 0.113624 4 9.38550 0.240128 5 4.27900 0.347652 F 1 1 1.88830 1.0 F 1 1 0.77480 1.0 F 1 1 0.27760 1.0 G 4 1 20.62340 0.016405 2 9.38550 0.067551 3 4.27900 0.145472 4 1.88830 0.353223 G 1 1 0.77480 1.0 G 1 1 0.27760 1.0 EUROPIUM S 5 1 70059.42000 0.000097 2 10776.23500 0.000707 3 2482.49010 0.003362 4 702.15260 0.010206 5 216.79260 0.016597 S 1 1 41.49500 1.0 S 1 1 29.49690 1.0 S 1 1 15.03090 1.0 S 1 1 3.77720 1.0 S 1 1 1.92190 1.0 S 1 1 0.71310 1.0 S 1 1 0.30970 1.0 S 1 1 0.05490 1.0 S 1 1 0.02270 1.0 P 6 1 4058.02070 0.000048 2 1023.32590 0.000357 3 339.38520 0.001687 4 122.34850 0.005693 5 29.05580 0.072398 6 20.62690 -0.046807 P 1 1 14.61790 1.0 P 1 1 5.44440 1.0 P 1 1 2.74140 1.0 P 1 1 1.22830 1.0 P 1 1 0.57690 1.0 P 1 1 0.24890 1.0 P 1 1 0.08000 1.0 D 6 1 389.08410 0.000534 2 117.76020 0.004258 3 44.98690 0.017160 4 22.85990 0.012427 5 7.83310 0.270416 6 4.11340 0.445272 D 1 1 2.09990 1.0 D 1 1 1.00430 1.0 D 1 1 0.34220 1.0 D 1 1 0.10510 1.0 F 5 1 128.23410 0.003424 2 46.26850 0.034313 3 20.73660 0.123194 4 9.44790 0.251824 5 4.31490 0.351292 F 1 1 1.91210 1.0 F 1 1 0.78970 1.0 F 1 1 0.28590 1.0 G 4 1 20.73660 0.026516 2 9.44790 0.099066 3 4.31490 0.213378 4 1.91210 0.453713 G 1 1 0.78970 1.0 G 1 1 0.28590 1.0 GADOLINIUM S 5 1 70672.98200 0.000135 2 10580.42000 0.001006 3 2467.21960 0.004605 4 710.30550 0.013577 5 223.69340 0.020915 S 1 1 42.88450 1.0 S 1 1 30.59520 1.0 S 1 1 15.79230 1.0 S 1 1 3.95980 1.0 S 1 1 2.00770 1.0 S 1 1 0.74940 1.0 S 1 1 0.32410 1.0 S 1 1 0.05780 1.0 S 1 1 0.02370 1.0 P 6 1 4319.88790 0.000058 2 1015.39700 0.000493 3 323.72580 0.002388 4 116.23940 0.007504 5 29.20180 0.081145 6 20.83530 -0.066154 P 1 1 14.85680 1.0 P 1 1 5.55410 1.0 P 1 1 2.79180 1.0 P 1 1 1.24820 1.0 P 1 1 0.58430 1.0 P 1 1 0.25120 1.0 P 1 1 0.08000 1.0 D 6 1 406.09940 0.000655 2 122.42050 0.005341 3 46.36790 0.022180 4 20.72890 0.029630 5 7.97730 0.288270 6 4.11750 0.449678 D 1 1 2.07830 1.0 D 1 1 0.98880 1.0 D 1 1 0.33890 1.0 D 1 1 0.10370 1.0 F 5 1 128.70520 0.003970 2 46.56470 0.038735 3 20.88820 0.133958 4 9.52330 0.262835 5 4.34760 0.353911 F 1 1 1.92410 1.0 F 1 1 0.79260 1.0 F 1 1 0.28550 1.0 G 4 1 20.88820 0.027073 2 9.52330 0.094174 3 4.34760 0.205201 4 1.92410 0.403979 G 1 1 0.79260 1.0 G 1 1 0.28550 1.0 TERBIUM S 5 1 72672.98200 0.000145 2 10989.46700 0.001081 3 2527.11750 0.005061 4 721.01020 0.014727 5 226.91820 0.022029 S 1 1 46.08460 1.0 S 1 1 30.51570 1.0 S 1 1 15.76320 1.0 S 1 1 4.03940 1.0 S 1 1 2.06600 1.0 S 1 1 0.74960 1.0 S 1 1 0.32390 1.0 S 1 1 0.05610 1.0 S 1 1 0.02310 1.0 P 6 1 4392.66750 0.000070 2 1041.28910 0.000586 3 334.50070 0.002788 4 120.98110 0.008710 5 32.27070 0.065942 6 22.83780 -0.022287 P 1 1 16.21830 1.0 P 1 1 5.79870 1.0 P 1 1 2.88980 1.0 P 1 1 1.25360 1.0 P 1 1 0.59140 1.0 P 1 1 0.25600 1.0 P 1 1 0.08000 1.0 D 6 1 410.83070 0.000849 2 123.83550 0.006937 3 47.01310 0.028533 4 20.29890 0.050342 5 8.01380 0.301633 6 4.08550 0.448178 D 1 1 2.05160 1.0 D 1 1 0.98380 1.0 D 1 1 0.34200 1.0 D 1 1 0.10580 1.0 F 5 1 128.96660 0.004588 2 46.78610 0.043563 3 21.00210 0.144880 4 9.57730 0.272430 5 4.37160 0.353652 F 1 1 1.93430 1.0 F 1 1 0.79600 1.0 F 1 1 0.28660 1.0 G 4 1 21.00210 0.033082 2 9.57730 0.107475 3 4.37160 0.232278 4 1.93430 0.423897 G 1 1 0.79600 1.0 G 1 1 0.28660 1.0 DYSPROSIUM S 5 1 78529.74300 0.000138 2 11854.69900 0.001033 3 2719.98070 0.004861 4 772.40360 0.014340 5 242.03200 0.021620 S 1 1 48.35620 1.0 S 1 1 31.88060 1.0 S 1 1 16.86090 1.0 S 1 1 4.21550 1.0 S 1 1 2.12870 1.0 S 1 1 0.78890 1.0 S 1 1 0.33830 1.0 S 1 1 0.05810 1.0 S 1 1 0.02380 1.0 P 6 1 4069.16260 0.000119 2 962.25980 0.000987 3 308.60090 0.004608 4 112.40990 0.013362 5 32.27070 0.076444 6 22.83780 -0.039861 P 1 1 16.30880 1.0 P 1 1 5.88070 1.0 P 1 1 2.92130 1.0 P 1 1 1.25850 1.0 P 1 1 0.59260 1.0 P 1 1 0.25690 1.0 P 1 1 0.08000 1.0 D 6 1 409.80320 0.001046 2 123.71040 0.008448 3 47.09760 0.033945 4 20.12020 0.063313 5 8.15710 0.310542 6 4.14740 0.443276 D 1 1 2.08250 1.0 D 1 1 0.99980 1.0 D 1 1 0.32020 1.0 D 1 1 0.09130 1.0 F 5 1 129.62740 0.005252 2 47.17270 0.048490 3 21.15860 0.154752 4 9.63810 0.281170 5 4.39530 0.353828 F 1 1 1.94260 1.0 F 1 1 0.79800 1.0 F 1 1 0.28660 1.0 G 4 1 21.15860 0.040920 2 9.63810 0.125497 3 4.39530 0.268397 4 1.94260 0.451595 G 1 1 0.79800 1.0 G 1 1 0.28660 1.0 HOLMIUM S 5 1 86373.95500 0.000078 2 13014.20000 0.000588 3 2974.24170 0.002801 4 840.77100 0.008364 5 258.12230 0.013419 S 1 1 49.76480 1.0 S 1 1 35.54630 1.0 S 1 1 18.12900 1.0 S 1 1 4.44560 1.0 S 1 1 2.21700 1.0 S 1 1 0.83290 1.0 S 1 1 0.35440 1.0 S 1 1 0.05970 1.0 S 1 1 0.02440 1.0 P 1 1 14.44160 1.0 P 6 1 4325.38140 0.000141 2 1002.32830 0.001220 3 312.03850 0.006051 4 110.73810 0.017343 5 32.14230 0.089498 6 20.43450 -0.138263 P 1 1 6.03500 1.0 P 1 1 3.00200 1.0 P 1 1 1.33240 1.0 P 1 1 0.61270 1.0 P 1 1 0.26270 1.0 P 1 1 0.08000 1.0 D 6 1 454.44040 0.001065 2 137.41230 0.008754 3 52.69360 0.035896 4 22.60370 0.076848 5 8.78080 0.292273 6 4.37520 0.457092 D 1 1 2.10220 1.0 D 1 1 0.90730 1.0 D 1 1 0.31720 1.0 D 1 1 0.09750 1.0 F 5 1 136.46780 0.005230 2 49.56920 0.048449 3 22.24710 0.156208 4 10.13590 0.282384 5 4.61860 0.353881 F 1 1 2.03750 1.0 F 1 1 0.83430 1.0 F 1 1 0.29790 1.0 G 4 1 22.24710 0.046114 2 10.13590 0.140794 3 4.61860 0.301521 4 2.03750 0.479870 G 1 1 0.83430 1.0 G 1 1 0.29790 1.0 ERBIUM S 5 1 89904.83500 0.000063 2 13532.87400 0.000473 3 3087.30420 0.002254 4 870.18760 0.006706 5 263.42620 0.010882 S 1 1 52.41410 1.0 S 1 1 37.43870 1.0 S 1 1 18.93000 1.0 S 1 1 4.62930 1.0 S 1 1 2.30280 1.0 S 1 1 0.86460 1.0 S 1 1 0.36610 1.0 S 1 1 0.06050 1.0 S 1 1 0.02470 1.0 P 1 1 14.45170 1.0 P 6 1 3801.97370 0.000201 2 896.72170 0.001642 3 286.42470 0.007482 4 104.49430 0.019303 5 31.15650 0.108275 6 20.33230 -0.208370 P 1 1 6.05240 1.0 P 1 1 3.00430 1.0 P 1 1 1.32780 1.0 P 1 1 0.60930 1.0 P 1 1 0.26290 1.0 P 1 1 0.08000 1.0 D 6 1 456.00080 0.001418 2 138.15230 0.011586 3 53.20440 0.046849 4 22.68150 0.104083 5 8.99710 0.288434 6 4.42980 0.449833 D 1 1 2.11540 1.0 D 1 1 0.90920 1.0 D 1 1 0.31100 1.0 D 1 1 0.09330 1.0 F 5 1 137.95750 0.005218 2 49.67320 0.048047 3 22.27540 0.163634 4 10.21230 0.289483 5 4.65890 0.353742 F 1 1 2.05510 1.0 F 1 1 0.84060 1.0 F 1 1 0.29960 1.0 G 4 1 22.27540 0.051564 2 10.21230 0.150949 3 4.65890 0.317504 4 2.05510 0.466844 G 1 1 0.84060 1.0 G 1 1 0.29960 1.0 THULIUM S 5 1 91965.74100 0.000056 2 13821.71800 0.000420 3 3143.93930 0.002010 4 882.03480 0.005931 5 261.83820 0.009671 S 1 1 55.31080 1.0 S 1 1 39.50770 1.0 S 1 1 19.62510 1.0 S 1 1 4.81950 1.0 S 1 1 2.39540 1.0 S 1 1 0.89260 1.0 S 1 1 0.37650 1.0 S 1 1 0.06150 1.0 S 1 1 0.02500 1.0 P 6 1 3687.32990 0.000282 2 875.10930 0.002256 3 282.40680 0.009962 4 104.31900 0.024776 5 32.94740 0.098164 6 20.05360 -0.195278 P 1 1 14.32400 1.0 P 1 1 6.14250 1.0 P 1 1 3.04290 1.0 P 1 1 1.34380 1.0 P 1 1 0.61400 1.0 P 1 1 0.26490 1.0 P 1 1 0.08000 1.0 D 6 1 462.75630 0.001590 2 140.26880 0.012892 3 54.03890 0.051416 4 22.99370 0.112703 5 9.17440 0.294791 6 4.49850 0.446368 D 1 1 2.14340 1.0 D 1 1 0.91950 1.0 D 1 1 0.31310 1.0 D 1 1 0.09340 1.0 F 5 1 139.45920 0.005980 2 50.46880 0.053736 3 22.64690 0.172387 4 10.34670 0.295552 5 4.71360 0.352438 F 1 1 2.07730 1.0 F 1 1 0.84900 1.0 F 1 1 0.30230 1.0 G 4 1 22.64690 0.059965 2 10.34670 0.168244 3 4.71360 0.342947 4 2.07730 0.468991 G 1 1 0.84900 1.0 G 1 1 0.30230 1.0 YTTERBIUM S 5 1 91972.90300 0.000051 2 13787.37100 0.000386 3 3123.61350 0.001844 4 871.47540 0.005356 5 250.46300 0.008859 S 1 1 58.28270 1.0 S 1 1 41.63050 1.0 S 1 1 20.21640 1.0 S 1 1 4.99720 1.0 S 1 1 2.48220 1.0 S 1 1 0.91790 1.0 S 1 1 0.38530 1.0 S 1 1 0.06140 1.0 S 1 1 0.02500 1.0 P 6 1 3731.96210 0.000332 2 888.02240 0.002630 3 287.93510 0.011444 4 107.14710 0.027785 5 35.32520 0.088928 6 19.80280 -0.202492 P 1 1 14.14490 1.0 P 1 1 6.28440 1.0 P 1 1 3.11450 1.0 P 1 1 1.38270 1.0 P 1 1 0.62730 1.0 P 1 1 0.27030 1.0 P 1 1 0.08000 1.0 D 6 1 469.76060 0.001984 2 142.61280 0.016013 3 55.12670 0.063153 4 23.44150 0.137800 5 9.49510 0.285498 6 4.57920 0.438309 D 1 1 2.16460 1.0 D 1 1 0.92380 1.0 D 1 1 0.31070 1.0 D 1 1 0.09140 1.0 F 5 1 142.02930 0.005957 2 51.08620 0.053180 3 22.87410 0.178076 4 10.50250 0.300600 5 4.78720 0.350342 F 1 1 2.10880 1.0 F 1 1 0.86090 1.0 F 1 1 0.30600 1.0 G 4 1 22.87410 0.064283 2 10.50250 0.174006 3 4.78720 0.343478 4 2.10880 0.430801 G 1 1 0.86090 1.0 G 1 1 0.30600 1.0 LUTETIUM S 5 1 95169.76700 0.000022 2 15488.40300 0.000145 3 3776.23350 0.000651 4 1079.05010 0.002038 5 268.95380 0.005127 S 1 1 63.46790 1.0 S 1 1 45.13320 1.0 S 1 1 21.45680 1.0 S 1 1 5.34830 1.0 S 1 1 2.67780 1.0 S 1 1 1.02870 1.0 S 1 1 0.44080 1.0 S 1 1 0.07910 1.0 S 1 1 0.03130 1.0 P 6 1 4043.97480 0.000294 2 958.87710 0.002353 3 309.12200 0.010441 4 114.22030 0.025828 5 37.10910 0.085047 6 20.45790 -0.200371 P 1 1 14.59320 1.0 P 1 1 6.52750 1.0 P 1 1 3.24480 1.0 P 1 1 1.45040 1.0 P 1 1 0.66350 1.0 P 1 1 0.28580 1.0 P 1 1 0.08000 1.0 D 6 1 484.52750 0.002286 2 146.66550 0.018629 3 56.37790 0.074088 4 23.67110 0.161554 5 9.44010 0.308091 6 4.37120 0.448334 D 1 1 1.95800 1.0 D 1 1 0.72720 1.0 D 1 1 0.24600 1.0 D 1 1 0.07440 1.0 F 5 1 175.15590 0.004102 2 62.89090 0.039086 3 28.36240 0.147044 4 13.24780 0.271092 5 6.14400 0.345665 F 1 1 2.76230 1.0 F 1 1 1.15740 1.0 F 1 1 0.42440 1.0 G 4 1 28.36240 0.047905 2 13.24780 0.150128 3 6.14400 0.322911 4 2.76230 0.444494 G 1 1 1.15740 1.0 G 1 1 0.42440 1.0 $END $ECP LA-ECP GEN 28 5 1 ----- h-ul potential ----- 0.000000000 2 1.000000000 1 ----- s-h potential ----- 585.201953000 2 19.441418000 1 ----- p-h potential ----- 330.109510000 2 16.016353000 1 ----- d-h potential ----- 186.058232000 2 15.128259000 1 ----- f-h potential ----- -49.433352000 2 23.103875000 1 ----- g-h potential ----- -20.123020000 2 15.639020000 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 PR-ECP GEN 28 5 1 ----- h-ul potential ----- 0.000000000 2 1.000000000 1 ----- s-h potential ----- 577.573122000 2 20.766278000 1 ----- p-h potential ----- 295.785846000 2 16.078448000 1 ----- d-h potential ----- 150.867055000 2 14.705089000 1 ----- f-h potential ----- -48.736766000 2 23.378969000 1 ----- g-h potential ----- -22.329488000 2 17.447138000 ND-ECP GEN 28 5 1 ----- h-ul potential ----- 0.000000000 2 1.000000000 1 ----- s-h potential ----- 574.370980000 2 21.352267000 1 ----- p-h potential ----- 280.946440000 2 16.119265000 1 ----- d-h potential ----- 138.670627000 2 14.494103000 1 ----- f-h potential ----- -47.522668000 2 23.183860000 1 ----- g-h potential ----- -23.344587000 2 18.344174000 PM-ECP GEN 28 5 1 ----- h-ul potential ----- 0.000000000 2 1.000000000 1 ----- s-h potential ----- 575.395749000 2 21.942865000 1 ----- p-h potential ----- 281.704514000 2 16.555161000 1 ----- d-h potential ----- 123.524737000 2 13.960308000 1 ----- f-h potential ----- -50.741511000 2 24.033546000 1 ----- g-h potential ----- -24.372510000 2 19.260245000 SM-ECP GEN 28 5 1 ----- h-ul potential ----- 0.000000000 2 1.000000000 1 ----- s-h potential ----- 572.985332000 2 22.344471000 1 ----- p-h potential ----- 272.359145000 2 16.694590000 1 ----- d-h potential ----- 115.293900000 2 13.727705000 1 ----- f-h potential ----- -51.108392000 2 24.059092000 1 ----- g-h potential ----- -25.421885000 2 20.197249000 EU-ECP GEN 28 5 1 ----- h-ul potential ----- 0.000000000 2 1.000000000 1 ----- s-h potential ----- 607.659331000 2 23.471384000 1 ----- p-h potential ----- 264.385476000 2 16.772479000 1 ----- d-h potential ----- 115.381375000 2 13.981343000 1 ----- f-h potential ----- -49.400794000 2 23.962888000 1 ----- g-h potential ----- -26.748273000 2 21.232458000 GD-ECP GEN 28 5 1 ----- h-ul potential ----- 0.000000000 2 1.000000000 1 ----- s-h potential ----- 637.200869000 2 24.602151000 1 ----- p-h potential ----- 261.689601000 2 16.889250000 1 ----- d-h potential ----- 106.856533000 2 13.643358000 1 ----- f-h potential ----- -50.683590000 2 24.126917000 1 ----- g-h potential ----- -27.579630000 2 22.131887000 TB-ECP GEN 28 5 1 ----- h-ul potential ----- 0.000000000 2 1.000000000 1 ----- s-h potential ----- 668.597155000 2 24.952956000 1 ----- p-h potential ----- 266.980475000 2 17.610899000 1 ----- d-h potential ----- 97.506596000 2 12.976009000 1 ----- f-h potential ----- -52.175757000 2 24.248869000 1 ----- g-h potential ----- -28.694268000 2 23.130672000 DY-ECP GEN 28 5 1 ----- h-ul potential ----- 0.000000000 2 1.000000000 1 ----- s-h potential ----- 705.671221000 2 26.429586000 1 ----- p-h potential ----- 254.866989000 2 17.317034000 1 ----- d-h potential ----- 95.045187000 2 12.913599000 1 ----- f-h potential ----- -54.574093000 2 24.907878000 1 ----- g-h potential ----- -29.828277000 2 24.148753000 HO-ECP GEN 28 5 1 ----- h-ul potential ----- 0.000000000 2 1.000000000 1 ----- s-h potential ----- 755.703136000 2 28.397257000 1 ----- p-h potential ----- 253.551998000 2 17.438633000 1 ----- d-h potential ----- 89.635677000 2 12.434212000 1 ----- f-h potential ----- -55.482036000 2 25.387010000 1 ----- g-h potential ----- -30.991125000 2 25.188501000 ER-ECP GEN 28 5 1 ----- h-ul potential ----- 0.000000000 2 1.000000000 1 ----- s-h potential ----- 800.952876000 2 29.798592000 1 ----- p-h potential ----- 262.019869000 2 18.114237000 1 ----- d-h potential ----- 80.170552000 2 11.369587000 1 ----- f-h potential ----- -42.336285000 2 21.821233000 1 ----- g-h potential ----- -32.185278000 2 26.250735000 TM-ECP GEN 28 5 1 ----- h-ul potential ----- 0.000000000 2 1.000000000 1 ----- s-h potential ----- 845.510743000 2 31.144122000 1 ----- p-h potential ----- 258.585239000 2 18.092353000 1 ----- d-h potential ----- 80.729059000 2 11.469159000 1 ----- f-h potential ----- -48.701266000 2 23.605544000 1 ----- g-h potential ----- -33.395496000 2 27.329781000 YB-ECP GEN 28 5 1 ----- h-ul potential ----- 0.000000000 2 1.000000000 1 ----- s-h potential ----- 891.013777000 2 32.424484000 1 ----- p-h potential ----- 264.036953000 2 18.656232000 1 ----- d-h potential ----- 73.923919000 2 10.490222000 1 ----- f-h potential ----- -39.592173000 2 20.774183000 1 ----- g-h potential ----- -34.638638000 2 28.431028000 LU-ECP GEN 28 5 1 ----- h-ul potential ----- 0.000000000 2 1.000000000 1 ----- s-h potential ----- 989.995584000 2 35.162097000 1 ----- p-h potential ----- 278.865652000 2 19.464402000 1 ----- d-h potential ----- 71.009178000 2 10.006865000 1 ----- f-h potential ----- -47.405890000 2 23.517932000 1 ----- g-h potential ----- -35.557146000 2 29.412238000 $END