!---------------------------------------------------------------------- ! Basis Set Exchange ! Version 2.1.0+44.g1191679.dirty ! https://www.basissetexchange.org !---------------------------------------------------------------------- ! Basis set: def2-QZVPP ! Description: def2-QZVPP ! Role: orbital ! Version: 1 (Data from Turbomole 7.3) !---------------------------------------------------------------------- $DATA HYDROGEN S 4 1 190.6916900 0.70815167E-03 2 28.6055320 0.54678827E-02 3 6.5095943 0.27966605E-01 4 1.8412455 0.10764538 S 1 1 0.59853725 1.0000000 S 1 1 0.21397624 1.0000000 S 1 1 0.80316286E-01 1.0000000 P 1 1 2.29200000 1.0000000 P 1 1 0.83800000 1.0000000 P 1 1 0.29200000 1.0000000 D 1 1 2.06200000 1.0000000 D 1 1 0.66200000 1.0000000 F 1 1 1.39700000 1.0000000 HELIUM S 5 1 1144.6470809 0.35861578618E-03 2 171.64596667 0.27725434466E-02 3 39.066056254 0.14241892216E-01 4 11.051401989 0.55457352277E-01 5 3.5725574473 0.16170511810 S 1 1 1.2429415962 .33177883833 S 1 1 0.44807668730 .42014033068 S 1 1 0.16411579128 .18652273014 P 1 1 5.99400000 1.0000000 P 1 1 1.74500000 1.0000000 P 1 1 0.56000000 1.0000000 D 1 1 4.29900000 1.0000000 D 1 1 1.22300000 1.0000000 F 1 1 2.68000000 1.0000000 LITHIUM S 9 1 14853.9770850 0.42711388815E-04 2 2225.2236477 0.33235310800E-03 3 504.88739008 0.17518436649E-02 4 142.45847548 0.73477995850E-02 5 46.315599580 0.25899837683E-01 6 16.655335474 0.76670682431E-01 7 6.4331186199 0.18276075765 8 2.6027043858 0.32655434038 9 1.0897245405 0.37000429828 S 2 1 4.4236595971 0.11120987921 2 1.2356394990 0.79987335862 S 1 1 0.46067470602 1.0000000 S 1 1 0.96617166955E-01 1.0000000 S 1 1 0.45915452296E-01 1.0000000 S 1 1 0.21140048730E-01 1.0000000 P 3 1 3.2605109206 0.86504749023E-02 2 0.65003043115 0.47614123736E-01 3 0.16941671073 0.21001138000 P 1 1 3.3270000 1.0000000 P 1 1 0.55732343767E-01 1.0000000 P 1 1 0.20489959241E-01 1.0000000 D 1 1 0.2300000 1.0000000 D 1 1 0.0757000 1.0000000 F 1 1 0.1350000 1.0000000 BERYLLIUM S 8 1 29646.7044070 0.37943320869E-04 2 4428.7614354 0.29605352634E-03 3 1005.4701332 0.15572477356E-02 4 284.15339578 0.65323195769E-02 5 92.504356461 0.23116861005E-01 6 33.311016058 0.69458515249E-01 7 12.911553314 0.17014371331 8 5.2665497361 0.31682711374 S 2 1 22.995386380 0.81791122747E-01 2 6.6236354176 0.80000038023 S 1 1 2.2289595003 1.0000000 S 1 1 0.95302433451 1.0000000 S 1 1 0.24651602436 1.0000000 S 1 1 0.10153895315 1.0000000 S 1 1 0.41551374604E-01 1.0000000 P 4 1 14.099789445 0.38508871145E-02 2 3.1803188482 0.24152380771E-01 3 0.90489220496 0.97926925156E-01 4 0.30411585508 0.29470380030 P 1 1 6.4000000 1.0000000 P 1 1 0.11302606657 1.0000000 P 1 1 0.42831733691E-01 1.0000000 D 1 1 0.3600000 1.0000000 D 1 1 0.0900000 1.0000000 F 1 1 0.2900000 1.0000000 BORON S 8 1 46447.6670560 0.38388681014E-04 2 6957.6889042 0.29836770197E-03 3 1583.4428403 0.15645478806E-02 4 448.46601009 0.65476770742E-02 5 146.28639262 0.23139008388E-01 6 52.784386084 0.69615799357E-01 7 20.519396170 0.17119636876 8 8.4185659258 0.31913191837 S 2 1 36.510018312 0.78990617244E-01 2 10.541854005 0.78926384265 S 1 1 3.6004091387 1.0000000 S 1 1 1.5617023749 1.0000000 S 1 1 0.44997370775 1.0000000 S 1 1 0.18075230237 1.0000000 S 1 1 0.71596696319E-01 1.0000000 P 5 1 72.240462760 0.86539170411E-03 2 16.807707208 0.68762067365E-02 3 5.2259410747 0.30976687148E-01 4 1.8508350671 0.10432357913 5 0.72206782663 0.26164137577 P 1 1 0.29491018056 1.0000000 P 1 1 0.12201141839 1.0000000 P 1 1 0.49865393625E-01 1.0000000 D 1 1 1.11000000 1.0000000 D 1 1 0.40200000 1.0000000 D 1 1 0.14500000 1.0000000 F 1 1 0.88200000 1.0000000 F 1 1 0.31100000 1.0000000 G 1 1 0.67300000 1.0000000 CARBON S 8 1 67025.0710290 0.38736308501E-04 2 10039.9865380 0.30107917575E-03 3 2284.9316911 0.15787918095E-02 4 647.14122130 0.66087087195E-02 5 211.09472335 0.23367123250E-01 6 76.177643862 0.70420716898E-01 7 29.633839163 0.17360344953 8 12.187785081 0.32292305648 S 2 1 53.026006299 0.74897404492E-01 2 15.258502776 0.76136220983 S 1 1 5.2403957464 1.0000000 S 1 1 2.2905022379 1.0000000 S 1 1 0.69673283006 1.0000000 S 1 1 0.27599337363 1.0000000 S 1 1 0.10739884389 1.0000000 P 5 1 105.12555082 0.84647553844E-03 2 24.884461066 0.66274038534E-02 3 7.8637230826 0.30120390419E-01 4 2.8407001835 0.99951435476E-01 5 1.1227137335 0.23826299282 P 1 1 0.46050725555 1.0000000 P 1 1 0.18937530913 1.0000000 P 1 1 0.75983791611E-01 1.0000000 D 1 1 1.84800000 1.0000000 D 1 1 0.64900000 1.0000000 D 1 1 0.22800000 1.0000000 F 1 1 1.41900000 1.0000000 F 1 1 0.48500000 1.0000000 G 1 1 1.01100000 1.0000000 NITROGEN S 8 1 90726.8892100 0.39257887368E-04 2 13590.5288010 0.30513316455E-03 3 3092.9883781 0.16000560446E-02 4 875.99876362 0.66982937306E-02 5 285.74469982 0.23690078765E-01 6 103.11913417 0.71455405268E-01 7 40.128556777 0.17632774876 8 16.528095704 0.32677592815 S 2 1 69.390960983 0.80052094386E-01 2 20.428200596 0.78268063538 S 1 1 7.1292587972 1.0000000 S 1 1 3.1324304893 1.0000000 S 1 1 0.98755778723 1.0000000 S 1 1 0.38765721307 1.0000000 S 1 1 0.14909883075 1.0000000 P 5 1 150.05742670 -0.86216165986E-03 2 35.491599483 -0.68571273236E-02 3 11.247864223 -0.31795688855E-01 4 4.0900305195 -0.10537396822 5 1.6220573146 -0.24519708041 P 1 1 0.66442261530 1.0000000 P 1 1 0.27099770070 1.0000000 P 1 1 0.10688749984 1.0000000 D 1 1 2.83700000 1.0000000 D 1 1 0.96800000 1.0000000 D 1 1 0.33500000 1.0000000 F 1 1 2.02700000 1.0000000 F 1 1 0.68500000 1.0000000 G 1 1 1.42700000 1.0000000 OXYGEN S 8 1 116506.4690800 0.40383857939E-04 2 17504.3497240 0.31255139004E-03 3 3993.4513230 0.16341473495E-02 4 1133.0063186 0.68283224757E-02 5 369.99569594 0.24124410221E-01 6 133.62074349 0.72730206154E-01 7 52.035643649 0.17934429892 8 21.461939313 0.33059588895 S 2 1 89.835051252 0.96468652996E-01 2 26.428010844 0.94117481120 S 1 1 9.2822824649 1.0000000 S 1 1 4.0947728533 1.0000000 S 1 1 1.3255349078 1.0000000 S 1 1 0.51877230787 1.0000000 S 1 1 0.19772676454 1.0000000 P 5 1 191.15255810 0.25115697705E-02 2 45.233356739 0.20039240864E-01 3 14.353465922 0.93609064762E-01 4 5.2422371832 0.30618127124 5 2.0792418599 0.67810501439 P 1 1 0.84282371424 1.0000000 P 1 1 0.33617694891 1.0000000 P 1 1 0.12863997974 1.0000000 D 1 1 3.77500000 1.0000000 D 1 1 1.30000000 1.0000000 D 1 1 0.44400000 1.0000000 F 1 1 2.66600000 1.0000000 F 1 1 0.85900000 1.0000000 G 1 1 1.84600000 1.0000000 FLUORINE S 8 1 132535.9734500 0.47387482743E-04 2 19758.1125880 0.37070120897E-03 3 4485.1996947 0.19450784713E-02 4 1273.8151020 0.80573291994E-02 5 418.93831236 0.27992880781E-01 6 152.55721985 0.82735120175E-01 7 59.821524823 0.19854169012 8 24.819076932 0.34860632233 S 2 1 100.74446673 0.10505068816 2 30.103728290 0.94068472434 S 1 1 10.814283272 1.0000000 S 1 1 4.8172886770 1.0000000 S 1 1 1.6559334213 1.0000000 S 1 1 0.64893519582 1.0000000 S 1 1 0.24778104545 1.0000000 P 5 1 240.96654114 0.30389933451E-02 2 57.020699781 0.24357738582E-01 3 18.126952120 0.11442925768 4 6.6457404621 0.37064659853 5 2.6375722892 0.79791551766 P 1 1 1.0638217200 1.0000000 P 1 1 0.41932562750 1.0000000 P 1 1 0.15747588299 1.0000000 D 1 1 5.01400000 1.0000000 D 1 1 1.72500000 1.0000000 D 1 1 0.58600000 1.0000000 F 1 1 3.56200000 1.0000000 F 1 1 1.14800000 1.0000000 G 1 1 2.37600000 1.0000000 NEON S 8 1 160676.2795500 0.47387482743E-04 2 23953.1950390 0.37070120897E-03 3 5437.5063711 0.19450784713E-02 4 1544.2741024 0.80573291994E-02 5 507.88814269 0.27992880781E-01 6 184.94847750 0.82735120175E-01 7 72.522952039 0.19854169012 8 30.088713575 0.34860632233 S 2 1 120.68434940 0.10400597014 2 36.074294857 0.91999988986 S 1 1 13.052091210 1.0000000 S 1 1 5.7974783353 1.0000000 S 1 1 2.0478626895 1.0000000 S 1 1 0.80214571994 1.0000000 S 1 1 0.30548672205 1.0000000 P 6 1 498.43397466 0.43118261050E-03 2 118.14109217 0.36206397703E-02 3 38.032529735 0.18245344081E-01 4 14.183731950 0.65133035572E-01 5 5.7864190721 0.16708915089 6 2.4599622160 0.29268019613 P 1 1 1.0421999498 1.0000000 P 1 1 0.42987748916 1.0000000 P 1 1 0.16889708453 1.0000000 D 1 1 6.47100000 1.0000000 D 1 1 2.21300000 1.0000000 D 1 1 0.74700000 1.0000000 F 1 1 4.65700000 1.0000000 F 1 1 1.52400000 1.0000000 G 1 1 2.98300000 1.0000000 SODIUM S 10 1 379852.2008100 0.20671384468E-04 2 56886.0063780 0.16070466617E-03 3 12942.7018380 0.84462905848E-03 4 3664.3017904 0.35519026029E-02 5 1194.7417499 0.12754034468E-01 6 430.98192917 0.39895462742E-01 7 167.83169424 0.10720154498 8 69.306669040 0.23339516913 9 29.951170886 0.36333077287 10 13.380791097 0.30544770974 S 3 1 121.74011283 0.36142427284E-01 2 37.044143387 0.28820961687 3 13.995422624 0.79337384869 S 1 1 5.9827797428 1.0000000 S 1 1 2.4830455118 1.0000000 S 1 1 1.0452506187 1.0000000 S 1 1 0.43875640383 1.0000000 S 1 1 0.65595633185E-01 1.0000000 S 1 1 0.30561925072E-01 1.0000000 S 1 1 0.15509064018E-01 1.0000000 P 8 1 690.77627017 0.37478518415E-03 2 163.82806121 0.31775441030E-02 3 52.876460769 0.16333581338E-01 4 19.812270493 0.59754902585E-01 5 8.1320378784 0.15879328812 6 3.4969068377 0.29049363260 7 1.5117244146 0.36368131139 8 0.64479294912 0.28195867334 P 1 1 0.26145823312 1.0000000 P 1 1 0.11704726116 1.0000000 P 1 1 0.40494747666E-01 1.0000000 P 1 1 0.15666707355E-01 1.0000000 D 1 1 5.3000000 1.0000000 D 1 1 1.5900000 1.0000000 D 1 1 0.2300000 1.0000000 D 1 1 0.0757000 1.0000000 F 1 1 4.2700000 1.0000000 F 1 1 0.1350000 1.0000000 MAGNESIUM S 10 1 605967.7875300 0.14430176617E-04 2 90569.0946920 0.11249871807E-03 3 20574.2528440 0.59264972450E-03 4 5818.6284865 0.24988770424E-02 5 1895.6296075 0.90230775141E-02 6 683.45941021 0.28579919806E-01 7 266.18219762 0.79064453923E-01 8 110.11220010 0.18269337814 9 47.777041234 0.32157193967 10 21.542166149 0.35028259389 S 3 1 174.12136378 0.22931111278E-01 2 53.484972498 0.19151777552 3 20.500213307 0.61155711055 S 1 1 9.8056826922 1.0000000 S 1 1 3.5402989348 1.0000000 S 1 1 1.5450850046 1.0000000 S 1 1 0.66540195432 1.0000000 S 1 1 0.14355439071 1.0000000 S 1 1 0.66624673468E-01 1.0000000 S 1 1 0.29772648266E-01 1.0000000 P 8 1 893.20460829 0.34958267428E-03 2 211.78258286 0.29811890111E-02 3 68.443200537 0.15517845758E-01 4 25.727265349 0.57578659557E-01 5 10.606634281 0.15610307853 6 4.5934126484 0.29230912580 7 2.0100469807 0.37219024072 8 0.87384841536 0.27578088891 P 1 1 0.35615076666 1.0000000 P 1 1 0.18995954356 1.0000000 P 1 1 0.74580135669E-01 1.0000000 P 1 1 0.29221641309E-01 1.0000000 D 1 1 6.9300000 1.0000000 D 1 1 2.1000000 1.0000000 D 1 1 0.6500000 1.0000000 D 1 1 0.2000000 1.0000000 D 1 1 0.0520000 1.0000000 F 1 1 5.6000000 1.0000000 F 1 1 0.1600000 1.0000000 ALUMINUM S 10 1 754550.7826500 0.13421335886E-04 2 112999.3892200 0.10433210786E-03 3 25715.8317590 0.54841772080E-03 4 7283.6030283 0.23089081391E-02 5 2376.0008796 0.83309974593E-02 6 857.65468087 0.26417963653E-01 7 334.38922598 0.73443646426E-01 8 138.48504731 0.17184039139 9 60.150368808 0.31041980030 10 27.127610860 0.35669190596 S 3 1 225.36500065 0.21522039783E-01 2 69.341968124 0.18531780493 3 26.619335712 0.63533181245 S 1 1 12.349420671 1.0000000 S 1 1 4.5878785994 1.0000000 S 1 1 2.0571338103 1.0000000 S 1 1 0.90864549395 1.0000000 S 1 1 0.24226988038 1.0000000 S 1 1 0.11248136869 1.0000000 S 1 1 0.48156492817E-01 1.0000000 P 8 1 1489.6119522 0.20177122443E-03 2 353.01399267 0.17508109203E-02 3 114.40764069 0.94424704664E-02 4 43.312186111 0.36868004006E-01 5 18.027322216 0.10892874007 6 7.9675432403 0.23265901004 7 3.6090399541 0.34643587076 8 1.6456081630 0.33440809866 P 2 1 34.731187489 0.17823073020E-01 2 1.2553083630 -0.59991263926 P 1 1 0.73635534282 1.0000000 P 1 1 0.24686465559 1.0000000 P 1 1 0.94821971828E-01 1.0000000 P 1 1 0.36214165654E-01 1.0000000 D 1 1 1.9700000000 1.0000000 D 1 1 0.4370000000 1.0000000 D 1 1 0.1950000000 1.0000000 D 1 1 0.0800000000 1.0000000 F 1 1 0.4010000000 1.0000000 F 1 1 0.1540000000 1.0000000 G 1 1 0.3570000000 1.0000000 SILICON S 10 1 918070.6956500 0.12658787192E-04 2 137485.2538600 0.98408387461E-04 3 31287.7727140 0.51731398244E-03 4 8861.6105697 0.21785441933E-02 5 2890.6943156 0.78656853716E-02 6 1043.4063979 0.24987553674E-01 7 406.80160276 0.69761818844E-01 8 168.48360207 0.16473362733 9 73.185628823 0.30285602647 10 32.998485420 0.36007260439 S 3 1 278.78751325 0.20185463814E-01 2 85.910228722 0.17720406747 3 32.992604031 0.63587860906 S 1 1 15.033693254 1.0000000 S 1 1 5.7257514773 1.0000000 S 1 1 2.6146521029 1.0000000 S 1 1 1.1757833152 1.0000000 S 1 1 0.35432330868 1.0000000 S 1 1 0.16248335806 1.0000000 S 1 1 0.68332457181E-01 1.0000000 P 8 1 1775.8850516 0.20186971126E-03 2 420.83786849 0.17544314655E-02 3 136.42290243 0.95039532290E-02 4 51.700991737 0.37325741590E-01 5 21.559456002 0.11085396329 6 9.5559200095 0.23756407046 7 4.3529819473 0.35295783750 8 2.0096964381 0.32885931947 P 2 1 46.418153780 0.25858819154E-01 2 1.9076417796 -0.59874865899 P 1 1 0.92337221587 1.0000000 P 1 1 0.34515720370 1.0000000 P 1 1 0.13656834761 1.0000000 P 1 1 0.52987060586E-01 1.0000000 D 1 1 2.64500000 1.0000000 D 1 1 0.608000000 1.0000000 D 1 1 0.272000000 1.0000000 D 1 1 0.113000000 1.0000000 F 1 1 0.541000000 1.0000000 F 1 1 0.212000000 1.0000000 G 1 1 0.461000000 1.0000000 PHOSPHORUS S 10 1 1090561.7138000 0.12142449664E-04 2 163316.3946100 0.94395292614E-04 3 37166.6074510 0.49622262177E-03 4 10526.8809450 0.20900040747E-02 5 3433.9976028 0.75489230025E-02 6 1239.5360480 0.24010423937E-01 7 483.27456199 0.67231473697E-01 8 200.16911586 0.15978669881 9 86.960394829 0.29735906782 10 39.211283369 0.36187171850 S 3 1 336.75883662 0.19154721050E-01 2 103.72179793 0.17134079100 3 39.771861240 0.63689655985 S 1 1 17.888612952 1.0000000 S 1 1 6.9644556879 1.0000000 S 1 1 3.2198092087 1.0000000 S 1 1 1.4669943979 1.0000000 S 1 1 0.47765437532 1.0000000 S 1 1 0.21637789241 1.0000000 S 1 1 0.90235894336E-01 1.0000000 P 8 1 2019.6711374 0.21359172406E-03 2 478.60125090 0.18568771399E-02 3 155.14942504 0.10070690115E-01 4 58.816356575 0.39605153679E-01 5 24.544512785 0.11736067844 6 10.883571061 0.24950540642 7 4.9624791285 0.36421287984 8 2.3002912343 0.31764127123 P 2 1 59.371345016 0.39432918004 2 3.0694590986 -6.3522960431 P 1 1 1.0634401739 1.0000000 P 1 1 0.45022152161 1.0000000 P 1 1 0.18267271344 1.0000000 P 1 1 0.71610333771E-01 1.0000000 D 1 1 3.34300000 1.0000000 D 1 1 0.807000000 1.0000000 D 1 1 0.365000000 1.0000000 D 1 1 0.154000000 1.0000000 F 1 1 0.703000000 1.0000000 F 1 1 0.280000000 1.0000000 G 1 1 0.597000000 1.0000000 SULFUR S 10 1 1273410.9023000 0.11767088246E-04 2 190697.8300700 0.91478610166E-04 3 43397.8853300 0.48090078640E-03 4 12291.8096770 0.20257193592E-02 5 4009.7420824 0.73190096406E-02 6 1447.3531030 0.23300499900E-01 7 564.30102913 0.65386213610E-01 8 233.74506243 0.15614449910 9 101.56402814 0.29318563787 10 45.805907187 0.36287914289 S 3 1 394.27281503 0.18753305081E-01 2 121.72249591 0.16870726663 3 46.754125963 0.63806830653 S 1 1 20.923008254 1.0000000 S 1 1 8.2685567800 1.0000000 S 1 1 3.8629345671 1.0000000 S 1 1 1.7794684781 1.0000000 S 1 1 0.61064260103 1.0000000 S 1 1 0.27412269445 1.0000000 S 1 1 0.11325939107 1.0000000 P 8 1 2189.8930459 0.23912552864E-03 2 518.94596592 0.20772032158E-02 3 168.19560151 0.11242420571E-01 4 63.745282788 0.44069933941E-01 5 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1 4611.4680242 0.19180655992E-03 2 1092.4666458 0.16801897753E-02 3 354.41923265 0.92763338425E-02 4 134.83390286 0.37537202735E-01 5 56.610873926 0.11493045217 6 25.336605518 0.25446811084 7 11.741313238 0.37993352765 8 5.5697268625 0.30948776388 9 2.5949954062 0.86972259257E-01 P 5 1 35.951198081 -0.55780446917E-02 2 12.301020232 -0.25933825208E-01 3 2.3876557755 0.27489094204 4 1.1031823600 0.59208047142 5 0.50008479496 0.49113471853 P 1 1 0.20796508799 1.0000000 P 1 1 0.10100000000 1.0000000 P 1 1 0.48000000000E-01 1.0000000 P 1 1 0.23000000000E-01 1.0000000 D 5 1 73.531179748 0.22506354976E-02 2 21.764759639 0.16377610133E-01 3 7.9233701690 0.63330446952E-01 4 3.1847889778 0.17056208548 5 1.3427790019 0.30119020299 D 1 1 0.56149574983 1.0000000 D 1 1 0.22764073650 1.0000000 D 1 1 0.85211221793E-01 1.0000000 D 1 1 0.35E-01 1.0000000 F 1 1 1.4810000 1.0000000 F 1 1 0.3450000 1.0000000 F 1 1 0.1100000 1.0000000 G 1 1 0.5310000 1.0000000 G 1 1 0.1330000 1.0000000 TITANIUM S 11 1 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20.919700000 -0.21082000000E-01 3 13.077700000 0.12706100000 4 6.8991000000 -0.37228400000 5 2.1962700000 0.43566300000 6 1.3048600000 0.43573500000 7 0.77957200000 0.26094700000 P 3 1 9.1373183134 -0.55319030476E-01 2 3.9570574249 0.27275707058 3 1.2246639098 0.72280340692 P 1 1 0.42601564238 1.0000000 P 1 1 0.20378586294 1.0000000 P 1 1 0.88168647885E-01 1.0000000 P 1 1 0.37094701422E-01 1.0000000 D 7 1 66.348248961 0.28507140251E-03 2 13.455899798 0.93352787747E-02 3 6.5510273149 -0.75354763534E-01 4 2.6574136949 0.16674578725 5 1.6001278005 0.31208757936 6 0.93304454981 0.32900401823 7 0.54391365526 0.22655044022 D 1 1 0.32059545270 1.0000000 D 1 1 0.17922304239 1.0000000 D 1 1 0.83200000000E-01 1.0000000 F 1 1 2.5184938758 1.0000000 F 1 1 1.1606000000 1.0000000 F 1 1 0.441300000 1.0000000 F 1 1 0.178200000 1.0000000 G 1 1 0.388100000 1.0000000 BISMUTH S 9 1 8131.0900000 0.29000000000E-04 2 1225.7700000 0.20000000000E-03 3 274.67200000 0.68400000000E-03 4 37.616400000 0.20218000000E-01 5 23.480400000 -0.15932600000 6 14.106500000 0.61172600000 7 8.8130500000 -0.54465300000 8 5.5077800000 -0.63688400000 9 2.0397700000 0.77169800000 S 3 1 13.614284474 0.15800789319 2 11.010881766 -0.27164962692 3 2.2630089550 0.52469330212 S 1 1 1.0975227257 1.0000000 S 1 1 0.52344449532 1.0000000 S 1 1 0.26734409206 1.0000000 S 1 1 0.12836608814 1.0000000 S 1 1 0.60097735551E-01 1.0000000 P 7 1 99.591400000 0.34600000000E-03 2 19.896400000 -0.19976000000E-01 3 12.437600000 0.17544600000 4 7.7740000000 -0.37955600000 5 4.8399500000 -0.55262000000E-01 6 2.2547800000 0.52888400000 7 1.1804900000 0.52132400000 P 3 1 9.6213214965 -0.52920356623E-01 2 4.1321350830 0.26705180214 3 1.2785827783 0.72824686940 P 1 1 0.59423596262 1.0000000 P 1 1 0.25794168858 1.0000000 P 1 1 0.11273595358 1.0000000 P 1 1 0.47791974731E-01 1.0000000 D 7 1 69.632799181 0.35055800732E-03 2 14.888614968 0.81591735697E-02 3 6.5949628713 -0.83905319526E-01 4 4.1796107640 0.28034212952E-01 5 2.5697950152 0.20202314185 6 1.5601364822 0.33621249652 7 0.89210528768 0.34629017140 D 1 1 0.48093728228 1.0000000 D 1 1 0.24233621968 1.0000000 D 1 1 0.10440000000 1.0000000 F 1 1 2.7210175470 1.0000000 F 1 1 1.2625600000 1.0000000 F 1 1 0.480300000 1.0000000 F 1 1 0.200600000 1.0000000 G 1 1 0.420300000 1.0000000 POLONIUM S 9 1 8913.2900000 0.47000000000E-04 2 1338.9800000 0.33100000000E-03 3 299.53800000 0.11610000000E-02 4 51.148900000 0.78990000000E-02 5 23.015600000 -0.14934700000 6 14.376500000 0.63824200000 7 8.9827900000 -0.61708300000 8 5.6129200000 -0.60519700000 9 2.1648400000 0.77608600000 S 3 1 14.787766907 0.15929033129 2 11.958781204 -0.27310166985 3 2.4798455066 0.52423698726 S 1 1 1.1753800000 1.0000000 S 1 1 0.55481477792 1.0000000 S 1 1 0.28581735198 1.0000000 S 1 1 0.13849439468 1.0000000 S 1 1 0.64954523837E-01 1.0000000 P 7 1 113.55700000 0.38700000000E-03 2 20.363900000 -0.18255000000E-01 3 12.727400000 0.17477600000 4 7.9498400000 -0.39870300000 5 4.9647700000 -0.31812000000E-01 6 2.3013000000 0.56604700000 7 1.1954500000 0.51022200000 P 3 1 8.4681300000 -0.23853762000 2 7.7962017000 0.28579119000 3 0.66871758000 0.46050656000 P 1 1 0.59152423927 1.0000000 P 1 1 0.24444843795 1.0000000 P 1 1 0.11018922460 1.0000000 P 1 1 0.48149776000E-01 1.0000000 D 7 1 73.649818245 0.43310334585847E-03 2 16.743441686 0.69436968591148E-02 3 5.8163048812 -0.83799240387068 4 5.6493757173 0.79372183416095 5 2.4547686106 0.29055549251205 6 1.3909015593 0.38177920669704 7 0.78934505572 0.29342954207529 D 1 1 0.44107648549 1.0000000 D 1 1 0.23631248810 1.0000000 D 1 1 0.10930000000 1.0000000 F 1 1 2.8220658714 1.0000000 F 1 1 1.3122000000 1.0000000 F 1 1 0.489400000 1.0000000 F 1 1 0.200200000 1.0000000 G 1 1 0.407400000 1.0000000 ASTATINE S 9 1 9090.2800000 0.35000000000E-04 2 1373.0700000 0.24200000000E-03 3 307.95000000 0.81500000000E-03 4 48.017600000 0.84650000000E-02 5 23.909900000 -0.14733300000 6 14.933400000 0.63241500000 7 9.3317100000 -0.61640600000 8 5.8320600000 -0.61925800000 9 2.2878700000 0.78512400000 S 3 1 14.805780876 0.15771473639 2 11.855783628 -0.28007490839 3 2.5818782360 0.52359428906 S 1 1 1.2537238008 1.0000000 S 1 1 0.61460691976 1.0000000 S 1 1 0.31486716636 1.0000000 S 1 1 0.15441669153 1.0000000 S 1 1 0.72866424566E-01 1.0000000 P 7 1 124.60200000 0.46800000000E-03 2 20.889900000 -0.16124000000E-01 3 13.058500000 0.17119600000 4 8.1606100000 -0.40887500000 5 5.0980800000 -0.16407000000E-01 6 2.3787600000 0.58817200000 7 1.2375500000 0.50099700000 P 3 1 8.7977584321 -0.23832810213 2 8.0996431502 0.28585830834 3 0.67629719775 0.46050935965 P 1 1 0.60785017930 1.0000000 P 1 1 0.26116561417 1.0000000 P 1 1 0.11948611257 1.0000000 P 1 1 0.52899086095E-01 1.0000000 D 7 1 76.152584155 0.54645145370E-03 2 17.982092186 0.70498116717E-02 3 5.8900316564 -0.59711331046 4 5.6001503121 0.56517203927 5 2.4782622062 0.32344318344 6 1.3928750256 0.39511263456 7 0.78560551382 0.27094838862 D 1 1 0.44173978741 1.0000000 D 1 1 0.24984733563 1.0000000 D 1 1 0.12700000000 1.0000000 F 1 1 3.0086421207 1.0000000 F 1 1 1.4237200000 1.0000000 F 1 1 0.538900000 1.0000000 F 1 1 0.228700000 1.0000000 G 1 1 0.436300000 1.0000000 RADON S 9 1 12715.6000000 0.47000000000E-04 2 1913.3000000 0.33800000000E-03 3 429.95600000 0.12800000000E-02 4 100.97800000 0.27820000000E-02 5 24.470800000 -0.10042100000 6 15.292200000 0.53982400000 7 9.5548300000 -0.57385600000 8 5.9666100000 -0.61000000000 9 2.3893900000 0.79325300000 S 3 1 17.195195341 0.16333005101 2 14.230303720 -0.27167744770 3 3.0760339153 0.52372666490 S 1 1 1.3276477516 1.0000000 S 1 1 0.69973866760 1.0000000 S 1 1 0.33174234887 1.0000000 S 1 1 0.16093431878 1.0000000 S 1 1 0.75883596172E-01 1.0000000 P 7 1 131.70800000 0.58500000000E-03 2 21.401600000 -0.14438000000E-01 3 13.382600000 0.17009500000 4 8.3688000000 -0.42250400000 5 5.2294500000 -0.17190000000E-02 6 2.4768500000 0.60115800000 7 1.3018000000 0.49278000000 P 3 1 9.0768547920 -0.23950411879 2 8.3822367043 0.28554010268 3 0.70618692299 0.46017587936 P 1 1 0.64553860374 1.0000000 P 1 1 0.28380500916 1.0000000 P 1 1 0.13160518578 1.0000000 P 1 1 0.58958259826E-01 1.0000000 D 8 1 183.73000000 0.12900000000E-03 2 54.689700000 0.94900000000E-03 3 16.425500000 0.10100000000E-01 4 7.3050000000 -0.87309000000E-01 5 4.2747700000 0.71452000000E-01 6 2.6114200000 0.29537800000 7 1.5667400000 0.35873100000 8 0.96097900000 0.25612000000 D 1 1 0.59653500000 1.0000000 D 1 1 0.34202800000 1.0000000 D 1 1 0.15160000000 1.0000000 F 1 1 3.2498641894 1.0000000 F 1 1 1.5556400000 1.0000000 F 1 1 0.594000000 1.0000000 F 1 1 0.268400000 1.0000000 G 1 1 0.476300000 1.0000000 $END $ECP RB-ECP GEN 28 3 1 ----- f-ul potential ----- -12.3169000 2 3.8431140 3 ----- s-f potential ----- 89.5001980 2 5.0365510 0.4937610 2 1.9708490 12.3169000 2 3.8431140 3 ----- p-f potential ----- 58.5689740 2 4.2583410 0.4317910 2 1.4707090 12.3169000 2 3.8431140 3 ----- d-f potential ----- 26.2248980 2 3.0231270 0.9628390 2 0.6503830 12.3169000 2 3.8431140 SR-ECP GEN 28 3 1 ----- f-ul potential ----- -15.8059920 2 4.6339750 3 ----- s-f potential ----- 135.4794300 2 7.4000740 17.5344630 2 3.6063790 15.8059920 2 4.6339750 3 ----- p-f potential ----- 88.3597090 2 6.4848680 15.3943720 2 3.2880530 15.8059920 2 4.6339750 3 ----- d-f potential ----- 29.8889870 2 4.6228410 6.6594140 2 2.2469040 15.8059920 2 4.6339750 Y-ECP GEN 28 3 2 ----- f-ul potential ----- -19.12219811 2 6.5842120 -2.43637543 2 3.2921060 4 ----- s-f potential ----- 135.15384412 2 7.4880494 15.55244130 2 3.7440247 19.12219811 2 6.5842120 2.43637543 2 3.2921060 4 ----- p-f potential ----- 87.78499167 2 6.4453772 11.56406599 2 3.2226886 19.12219811 2 6.5842120 2.43637543 2 3.2921060 4 ----- d-f potential ----- 29.70100072 2 4.6584472 5.53996847 2 2.3292236 19.12219811 2 6.5842120 2.43637543 2 3.2921060 ZR-ECP GEN 28 3 2 ----- f-ul potential ----- -21.09377605 2 7.5400000 -3.08069427 2 3.7700000 4 ----- s-f potential ----- 150.26759106 2 8.2000000 18.97621650 2 4.0897278 21.09377605 2 7.5400000 3.08069427 2 3.7700000 4 ----- p-f potential ----- 99.62212372 2 7.1100000 14.16873329 2 3.5967980 21.09377605 2 7.5400000 3.08069427 2 3.7700000 4 ----- d-f potential ----- 35.04512355 2 5.3500000 6.11125948 2 2.4918215 21.09377605 2 7.5400000 3.08069427 2 3.7700000 NB-ECP GEN 28 3 2 ----- f-ul potential ----- -22.92954996 2 8.4900000 -3.66630986 2 4.2500000 4 ----- s-f potential ----- 165.17914349 2 8.9000000 21.99297437 2 4.4300000 22.92954996 2 8.4900000 3.66630986 2 4.2500000 4 ----- p-f potential ----- 111.79441445 2 7.7700000 16.63348326 2 3.9600000 22.92954996 2 8.4900000 3.66630986 2 4.2500000 4 ----- d-f potential ----- 38.11224880 2 6.0500000 8.03916727 2 2.8400000 22.92954996 2 8.4900000 3.66630986 2 4.2500000 MO-ECP GEN 28 3 2 ----- f-ul potential ----- -24.80517707 2 9.4500000 -4.15378155 2 4.7200000 4 ----- s-f potential ----- 180.10310850 2 9.7145938 24.99722791 2 4.6805004 24.80517707 2 9.4500000 4.15378155 2 4.7200000 4 ----- p-f potential ----- 123.77275231 2 8.1421366 19.53022800 2 4.6259863 24.80517707 2 9.4500000 4.15378155 2 4.7200000 4 ----- d-f potential ----- 48.37502229 2 6.6184148 8.89205274 2 3.2487516 24.80517707 2 9.4500000 4.15378155 2 4.7200000 TC-ECP GEN 28 3 2 ----- f-ul potential ----- -26.56244747 2 10.4000000 -4.58568054 2 5.2000000 4 ----- s-f potential ----- 195.15916591 2 10.4223462 28.09260333 2 5.0365160 26.56244747 2 10.4000000 4.58568054 2 5.2000000 4 ----- p-f potential ----- 135.28456622 2 8.9504494 21.80650430 2 4.8544394 26.56244747 2 10.4000000 4.58568054 2 5.2000000 4 ----- d-f potential ----- 54.32972942 2 6.9456968 11.15506795 2 3.9705849 26.56244747 2 10.4000000 4.58568054 2 5.2000000 RU-ECP GEN 28 3 2 ----- f-ul potential ----- -28.34061627 2 11.3600000 -4.94462923 2 5.6800000 4 ----- s-f potential ----- 209.82297122 2 11.1052693 30.65472642 2 5.4147454 28.34061627 2 11.3600000 4.94462923 2 5.6800000 4 ----- p-f potential ----- 146.33618228 2 9.7712707 24.12787723 2 5.0739908 28.34061627 2 11.3600000 4.94462923 2 5.6800000 4 ----- d-f potential ----- 67.51589667 2 7.6714231 9.87010415 2 4.1365647 28.34061627 2 11.3600000 4.94462923 2 5.6800000 RH-ECP GEN 28 3 2 ----- f-ul potential ----- -30.09345572 2 12.3100000 -5.21848192 2 6.1600000 4 ----- s-f potential ----- 225.34775353 2 11.7200000 32.82318898 2 5.8200000 30.09345572 2 12.3100000 5.21848192 2 6.1600000 4 ----- p-f potential ----- 158.70941159 2 10.4200000 26.44410049 2 5.4500000 30.09345572 2 12.3100000 5.21848192 2 6.1600000 4 ----- d-f potential ----- 62.75862572 2 8.8200000 10.97871947 2 3.8700000 30.09345572 2 12.3100000 5.21848192 2 6.1600000 PD-ECP GEN 28 3 2 ----- f-ul potential ----- -31.92955431 2 13.2700000 -5.39821694 2 6.6300000 4 ----- s-f potential ----- 240.22904033 2 12.4300000 35.17194347 2 6.1707594 31.92955431 2 13.2700000 5.39821694 2 6.6300000 4 ----- p-f potential ----- 170.41727605 2 11.0800000 28.47213287 2 5.8295541 31.92955431 2 13.2700000 5.39821694 2 6.6300000 4 ----- d-f potential ----- 69.01384488 2 9.5100000 11.75086158 2 4.1397811 31.92955431 2 13.2700000 5.39821694 2 6.6300000 AG-ECP GEN 28 3 2 ----- f-ul potential ----- -33.68992012 2 14.2200000 -5.53112021 2 7.1100000 4 ----- s-f potential ----- 255.13936452 2 13.1300000 36.86612154 2 6.5100000 33.68992012 2 14.2200000 5.53112021 2 7.1100000 4 ----- p-f potential ----- 182.18186871 2 11.7400000 30.35775148 2 6.2000000 33.68992012 2 14.2200000 5.53112021 2 7.1100000 4 ----- d-f potential ----- 73.71926087 2 10.2100000 12.50211712 2 4.3800000 33.68992012 2 14.2200000 5.53112021 2 7.1100000 CD-ECP GEN 28 3 2 ----- f-ul potential ----- -35.47662555 2 15.1847957 -5.61767685 2 7.5923978 4 ----- s-f potential ----- 270.00948324 2 13.8358689 38.76730798 2 6.8572704 35.47662555 2 15.1847957 5.61767685 2 7.5923978 4 ----- p-f potential ----- 193.82962939 2 12.4049710 31.89652523 2 6.5677995 35.47662555 2 15.1847957 5.61767685 2 7.5923978 4 ----- d-f potential ----- 79.19364700 2 10.8969253 13.23082674 2 4.6411649 35.47662555 2 15.1847957 5.61767685 2 7.5923978 IN-ECP GEN 28 3 2 ----- f-ul potential ----- -13.72807800 2 12.53905600 -18.20686600 2 12.55256100 4 ----- s-f potential ----- 281.12235000 2 15.39282200 61.90147000 2 8.05586400 13.72807800 2 12.53905600 18.20686600 2 12.55256100 6 ----- p-f potential ----- 67.46215400 2 13.92867200 134.94925000 2 13.34723400 14.74614000 2 7.61413200 29.63926200 2 7.31836500 13.72807800 2 12.53905600 18.20686600 2 12.55256100 6 ----- d-f potential ----- 35.49325400 2 14.03471500 53.17877300 2 14.51161600 9.17728100 2 5.55055000 12.39241000 2 5.05941500 13.72807800 2 12.53905600 18.20686600 2 12.55256100 SN-ECP GEN 28 3 2 ----- f-ul potential ----- -12.57633300 2 12.28234800 -16.59594400 2 12.27215000 4 ----- s-f potential ----- 279.98868200 2 17.42041400 62.37781000 2 7.63115500 12.57633300 2 12.28234800 16.59594400 2 12.27215000 6 ----- p-f potential ----- 66.16252300 2 16.13102400 132.17439600 2 15.62807700 16.33941700 2 7.32560800 32.48895900 2 6.94251900 12.57633300 2 12.28234800 16.59594400 2 12.27215000 6 ----- d-f potential ----- 36.38744100 2 15.51497600 54.50784100 2 15.18816000 8.69682300 2 5.45602400 12.84020800 2 5.36310500 12.57633300 2 12.28234800 16.59594400 2 12.27215000 SB-ECP GEN 28 3 2 ----- f-ul potential ----- -15.36680100 2 14.44497800 -20.29613800 2 14.44929500 4 ----- s-f potential ----- 281.07158100 2 16.33086500 61.71660400 2 8.55654200 15.36680100 2 14.44497800 20.29613800 2 14.44929500 6 ----- p-f potential ----- 67.45738000 2 14.47033700 134.93350300 2 13.81619400 14.71634400 2 8.42492400 29.51851200 2 8.09272800 15.36680100 2 14.44497800 20.29613800 2 14.44929500 6 ----- d-f potential ----- 35.44781500 2 14.88633100 53.14346600 2 15.14631900 9.17922300 2 5.90826700 13.24025300 2 5.59432200 15.36680100 2 14.44497800 20.29613800 2 14.44929500 TE-ECP GEN 28 3 2 ----- f-ul potential ----- -15.74545000 2 15.20616800 -20.74244800 2 15.20170200 4 ----- s-f potential ----- 281.04584300 2 16.81447300 61.62065600 2 8.79352600 15.74545000 2 15.20616800 20.74244800 2 15.20170200 6 ----- p-f potential ----- 67.44946400 2 14.87780100 134.90430400 2 14.26973100 14.68954700 2 8.72443500 29.41506300 2 8.29151500 15.74545000 2 15.20616800 20.74244800 2 15.20170200 6 ----- d-f potential ----- 35.43205700 2 15.20500800 53.13568700 2 15.22584800 9.06980200 2 6.07176900 13.12230400 2 5.80476000 15.74545000 2 15.20616800 20.74244800 2 15.20170200 I-ECP GEN 28 3 4 ----- f-ul potential ----- -21.84204000 2 19.45860900 -28.46819100 2 19.34926000 -0.24371300 2 4.82376700 -0.32080400 2 4.88431500 7 ----- s-f potential ----- 49.99429300 2 40.01583500 281.02531700 2 17.42974700 61.57332600 2 9.00548400 21.84204000 2 19.45860900 28.46819100 2 19.34926000 0.24371300 2 4.82376700 0.32080400 2 4.88431500 8 ----- p-f potential ----- 67.44284100 2 15.35546600 134.88113700 2 14.97183300 14.67505100 2 8.96016400 29.37566600 2 8.25909600 21.84204000 2 19.45860900 28.46819100 2 19.34926000 0.24371300 2 4.82376700 0.32080400 2 4.88431500 10 ----- d-f potential ----- 35.43952900 2 15.06890800 53.17605700 2 14.55532200 9.06719500 2 6.71864700 13.20693700 2 6.45639300 0.08933500 2 1.19177900 0.05238000 2 1.29115700 21.84204000 2 19.45860900 28.46819100 2 19.34926000 0.24371300 2 4.82376700 0.32080400 2 4.88431500 XE-ECP GEN 28 3 4 ----- f-ul potential ----- -23.08929500 2 20.88155700 -30.07447500 2 20.78344300 -0.28822700 2 5.25338900 -0.38692400 2 5.36118800 7 ----- s-f potential ----- 49.99796200 2 40.00518400 281.01330300 2 17.81221400 61.53825500 2 9.30415000 23.08929500 2 20.88155700 30.07447500 2 20.78344300 0.28822700 2 5.25338900 0.38692400 2 5.36118800 8 ----- p-f potential ----- 67.43914200 2 15.70177200 134.87471100 2 15.25860800 14.66330000 2 9.29218400 29.35473000 2 8.55900300 23.08929500 2 20.88155700 30.07447500 2 20.78344300 0.28822700 2 5.25338900 0.38692400 2 5.36118800 10 ----- d-f potential ----- 35.43690800 2 15.18560000 53.19577200 2 14.28450000 9.04623200 2 7.12188900 13.22368100 2 6.99196300 0.08485300 2 0.62394600 0.04415500 2 0.64728400 23.08929500 2 20.88155700 30.07447500 2 20.78344300 0.28822700 2 5.25338900 0.38692400 2 5.36118800 CS-ECP GEN 46 3 1 ----- f-ul potential ----- -28.8843090 2 3.1232690 3 ----- s-f potential ----- 84.5477300 2 4.0797500 16.6541730 2 2.4174060 28.8843090 2 3.1232690 3 ----- p-f potential ----- 157.0490590 2 5.5140800 26.4233070 2 2.1603160 28.8843090 2 3.1232690 3 ----- d-f potential ----- 13.1727530 2 1.8074100 3.3428330 2 0.8581820 28.8843090 2 3.1232690 BA-ECP GEN 46 3 1 ----- f-ul potential ----- -33.4731740 2 3.5894650 3 ----- s-f potential ----- 427.8458160 2 9.5269860 204.4175300 2 4.4875100 33.4731740 2 3.5894650 3 ----- p-f potential ----- 293.6058640 2 8.3159300 294.1933160 2 4.2922170 33.4731740 2 3.5894650 3 ----- d-f potential ----- 112.5504020 2 5.9161080 181.7826210 2 2.8748420 33.4731740 2 3.5894650 LA-ECP GEN 46 3 1 ----- f-ul potential ----- -36.0100160 2 4.0286000 3 ----- s-f potential ----- 91.9321770 2 3.3099000 -3.7887640 2 1.6550000 36.0100160 2 4.0286000 3 ----- p-f potential ----- 63.7594860 2 2.8368000 -0.6479580 2 1.4184000 36.0100160 2 4.0286000 3 ----- d-f potential ----- 36.1161730 2 2.0213000 0.2191140 2 1.0107000 36.0100160 2 4.0286000 CE-ECP GEN 28 5 1 ----- h-ul potential ----- 0.00000000 2 1.00000000 1 ----- s-h potential ----- 580.08345700 2 20.13782900 1 ----- p-h potential ----- 310.30283300 2 15.99848200 1 ----- d-h potential ----- 167.81394400 2 14.97418700 1 ----- f-h potential ----- -49.39022900 2 23.40245500 1 ----- g-h potential ----- -21.33187900 2 16.57055300 PR-ECP GEN 28 5 1 ----- h-ul potential ----- 0.00000000 2 1.00000000 1 ----- s-h potential ----- 577.57312200 2 20.76627800 1 ----- p-h potential ----- 295.78584600 2 16.07844800 1 ----- d-h potential ----- 150.86705500 2 14.70508900 1 ----- f-h potential ----- -48.73676600 2 23.37896900 1 ----- g-h potential ----- -22.32948800 2 17.44713800 ND-ECP GEN 28 5 1 ----- h-ul potential ----- 0.00000000 2 1.00000000 1 ----- s-h potential ----- 574.37098000 2 21.35226700 1 ----- p-h potential ----- 280.94644000 2 16.11926500 1 ----- d-h potential ----- 138.67062700 2 14.49410300 1 ----- f-h potential ----- -47.52266800 2 23.18386000 1 ----- g-h potential ----- -23.34458700 2 18.34417400 PM-ECP GEN 28 5 1 ----- h-ul potential ----- 0.00000000 2 1.00000000 1 ----- s-h potential ----- 575.39574900 2 21.94286500 1 ----- p-h potential ----- 281.70451400 2 16.55516100 1 ----- d-h potential ----- 123.52473700 2 13.96030800 1 ----- f-h potential ----- -50.74151100 2 24.03354600 1 ----- g-h potential ----- -24.37251000 2 19.26024500 SM-ECP GEN 28 5 1 ----- h-ul potential ----- 0.00000000 2 1.00000000 1 ----- s-h potential ----- 572.98533200 2 22.34447100 1 ----- p-h potential ----- 272.35914500 2 16.69459000 1 ----- d-h potential ----- 115.29390000 2 13.72770500 1 ----- f-h potential ----- -51.10839200 2 24.05909200 1 ----- g-h potential ----- -25.42188500 2 20.19724900 EU-ECP GEN 28 5 1 ----- h-ul potential ----- 0.00000000 2 1.00000000 1 ----- s-h potential ----- 607.65933100 2 23.47138400 1 ----- p-h potential ----- 264.38547600 2 16.77247900 1 ----- d-h potential ----- 115.38137500 2 13.98134300 1 ----- f-h potential ----- -49.40079400 2 23.96288800 1 ----- g-h potential ----- -26.74827300 2 21.23245800 GD-ECP GEN 28 5 1 ----- h-ul potential ----- 0.00000000 2 1.00000000 1 ----- s-h potential ----- 637.20086900 2 24.60215100 1 ----- p-h potential ----- 261.68960100 2 16.88925000 1 ----- d-h potential ----- 106.85653300 2 13.64335800 1 ----- f-h potential ----- -50.68359000 2 24.12691700 1 ----- g-h potential ----- -27.57963000 2 22.13188700 TB-ECP GEN 28 5 1 ----- h-ul potential ----- 0.00000000 2 1.00000000 1 ----- s-h potential ----- 668.59715500 2 24.95295600 1 ----- p-h potential ----- 266.98047500 2 17.61089900 1 ----- d-h potential ----- 97.50659600 2 12.97600900 1 ----- f-h potential ----- -52.17575700 2 24.24886900 1 ----- g-h potential ----- -28.69426800 2 23.13067200 DY-ECP GEN 28 5 1 ----- h-ul potential ----- 0.00000000 2 1.00000000 1 ----- s-h potential ----- 705.67122100 2 26.42958600 1 ----- p-h potential ----- 254.86698900 2 17.31703400 1 ----- d-h potential ----- 95.04518700 2 12.91359900 1 ----- f-h potential ----- -54.57409300 2 24.90787800 1 ----- g-h potential ----- -29.82827700 2 24.14875300 HO-ECP GEN 28 5 1 ----- h-ul potential ----- 0.00000000 2 1.00000000 1 ----- s-h potential ----- 755.70313600 2 28.39725700 1 ----- p-h potential ----- 253.55199800 2 17.43863300 1 ----- d-h potential ----- 89.63567700 2 12.43421200 1 ----- f-h potential ----- -55.48203600 2 25.38701000 1 ----- g-h potential ----- -30.99112500 2 25.18850100 ER-ECP GEN 28 5 1 ----- h-ul potential ----- 0.00000000 2 1.00000000 1 ----- s-h potential ----- 800.95287600 2 29.79859200 1 ----- p-h potential ----- 262.01986900 2 18.11423700 1 ----- d-h potential ----- 80.17055200 2 11.36958700 1 ----- f-h potential ----- -42.33628500 2 21.82123300 1 ----- g-h potential ----- -32.18527800 2 26.25073500 TM-ECP GEN 28 5 1 ----- h-ul potential ----- 0.00000000 2 1.00000000 1 ----- s-h potential ----- 845.51074300 2 31.14412200 1 ----- p-h potential ----- 258.58523900 2 18.09235300 1 ----- d-h potential ----- 80.72905900 2 11.46915900 1 ----- f-h potential ----- -48.70126600 2 23.60554400 1 ----- g-h potential ----- -33.39549600 2 27.32978100 YB-ECP GEN 28 5 1 ----- h-ul potential ----- 0.00000000 2 1.00000000 1 ----- s-h potential ----- 891.01377700 2 32.42448400 1 ----- p-h potential ----- 264.03695300 2 18.65623200 1 ----- d-h potential ----- 73.92391900 2 10.49022200 1 ----- f-h potential ----- -39.59217300 2 20.77418300 1 ----- g-h potential ----- -34.63863800 2 28.43102800 LU-ECP GEN 28 5 1 ----- h-ul potential ----- 0.00000000 2 1.00000000 1 ----- s-h potential ----- 989.99558400 2 35.16209700 1 ----- p-h potential ----- 278.86565200 2 19.46440200 1 ----- d-h potential ----- 71.00917800 2 10.00686500 1 ----- f-h potential ----- -47.40589000 2 23.51793200 1 ----- g-h potential ----- -35.55714600 2 29.41223800 HF-ECP GEN 60 3 1 ----- f-ul potential ----- 10.04672251 2 1.78576984 3 ----- s-f potential ----- 1499.28471073 2 14.76995900 40.28210136 2 7.38497940 -10.04672251 2 1.78576984 3 ----- p-f potential ----- 397.73300533 2 9.84948950 19.31640586 2 4.92474450 -10.04672251 2 1.78576984 3 ----- d-f potential ----- 101.32980526 2 6.09675640 5.87343821 2 3.04837820 -10.04672251 2 1.78576984 TA-ECP GEN 60 3 1 ----- f-ul potential ----- 12.01796094 2 2.01788111 3 ----- s-f potential ----- 1345.88064703 2 14.54640770 36.76680620 2 7.27320380 -12.01796094 2 2.01788111 3 ----- p-f potential ----- 378.42530145 2 9.93556529 22.29309086 2 4.96778243 -12.01796094 2 2.01788111 3 ----- d-f potential ----- 104.88395571 2 6.34737691 8.75584805 2 3.17368846 -12.01796094 2 2.01788111 W-ECP GEN 60 3 1 ----- f-ul potential ----- 14.15257947 2 2.25888846 3 ----- s-f potential ----- 1192.39588226 2 14.32285640 32.52293315 2 7.16142810 -14.15257947 2 2.25888846 3 ----- p-f potential ----- 359.03196711 2 10.02164110 24.03038019 2 5.01082040 -14.15257947 2 2.25888846 3 ----- d-f potential ----- 108.30134897 2 6.59799743 10.98252827 2 3.29899871 -14.15257947 2 2.25888846 RE-ECP GEN 60 3 1 ----- f-ul potential ----- 16.44985227 2 2.50865059 3 ----- s-f potential ----- 1038.95157226 2 14.09930510 29.56173830 2 7.04965250 -16.44985227 2 2.50865059 3 ----- p-f potential ----- 339.54350965 2 10.10771690 24.91369646 2 5.05385830 -16.44985227 2 2.50865059 3 ----- d-f potential ----- 111.69965275 2 6.84861794 12.62432927 2 3.42430897 -16.44985227 2 2.50865059 OS-ECP GEN 60 3 1 ----- f-ul potential ----- 18.90945701 2 2.76707510 3 ----- s-f potential ----- 885.40571914 2 13.87575390 25.96704014 2 6.93787690 -18.90945701 2 2.76707510 3 ----- p-f potential ----- 320.08390185 2 10.19379260 26.14876493 2 5.09689620 -18.90945701 2 2.76707510 3 ----- d-f potential ----- 115.04484313 2 7.09923846 13.62257457 2 3.54961923 -18.90945701 2 2.76707510 IR-ECP GEN 60 3 1 ----- f-ul potential ----- 21.53103107 2 3.03407192 3 ----- s-f potential ----- 732.26919978 2 13.65220260 26.48472087 2 6.82610130 -21.53103107 2 3.03407192 3 ----- p-f potential ----- 299.48947357 2 10.27986840 26.46623354 2 5.13993410 -21.53103107 2 3.03407192 3 ----- d-f potential ----- 124.45759451 2 7.34985897 14.03599518 2 3.67492949 -21.53103107 2 3.03407192 PT-ECP GEN 60 3 1 ----- f-ul potential ----- 24.31437573 2 3.30956857 3 ----- s-f potential ----- 579.22386092 2 13.42865130 29.66949062 2 6.71432560 -24.31437573 2 3.30956857 3 ----- p-f potential ----- 280.86077422 2 10.36594420 26.74538204 2 5.18297210 -24.31437573 2 3.30956857 3 ----- d-f potential ----- 120.39644429 2 7.60047949 15.81092058 2 3.80023974 -24.31437573 2 3.30956857 AU-ECP GEN 60 3 2 ----- f-ul potential ----- 30.49008890 2 4.78982000 5.17107381 2 2.39491000 4 ----- s-f potential ----- 426.84667920 2 13.20510000 37.00708285 2 6.60255000 -30.49008890 2 4.78982000 -5.17107381 2 2.39491000 4 ----- p-f potential ----- 261.19958038 2 10.45202000 26.96249604 2 5.22601000 -30.49008890 2 4.78982000 -5.17107381 2 2.39491000 4 ----- d-f potential ----- 124.79066561 2 7.85110000 16.30072573 2 3.92555000 -30.49008890 2 4.78982000 -5.17107381 2 2.39491000 HG-ECP GEN 60 3 1 ----- f-ul potential ----- 30.36499643 2 3.88579112 3 ----- s-f potential ----- 275.73721174 2 12.98154870 49.08921249 2 6.49077440 -30.36499643 2 3.88579112 3 ----- p-f potential ----- 241.54007398 2 10.53809580 27.39659081 2 5.26904790 -30.36499643 2 3.88579112 3 ----- d-f potential ----- 127.86700761 2 8.10172051 16.60831151 2 4.05086026 -30.36499643 2 3.88579112 TL-ECP GEN 60 3 4 ----- f-ul potential ----- 15.82548800 2 5.62639900 21.10402100 2 5.54895200 2.91512700 2 2.87494600 3.89690300 2 2.82145100 6 ----- s-f potential ----- 281.28466300 2 12.16780500 62.43425100 2 8.29490900 -15.82548800 2 5.62639900 -21.10402100 2 5.54895200 -2.91512700 2 2.87494600 -3.89690300 2 2.82145100 8 ----- p-f potential ----- 4.63340800 2 7.15149200 9.34175600 2 5.17286500 72.29925300 2 9.89107200 144.55803700 2 9.00339100 -15.82548800 2 5.62639900 -21.10402100 2 5.54895200 -2.91512700 2 2.87494600 -3.89690300 2 2.82145100 8 ----- d-f potential ----- 35.94303900 2 7.13021800 53.90959300 2 6.92690600 10.38193900 2 5.41757000 15.58382200 2 5.13868100 -15.82548800 2 5.62639900 -21.10402100 2 5.54895200 -2.91512700 2 2.87494600 -3.89690300 2 2.82145100 PB-ECP GEN 60 3 2 ----- f-ul potential ----- 12.20989200 2 3.88751200 16.19029100 2 3.81196300 4 ----- s-f potential ----- 281.28549900 2 12.29630300 62.52021700 2 8.63263400 -12.20989200 2 3.88751200 -16.19029100 2 3.81196300 6 ----- p-f potential ----- 72.27689700 2 10.24179000 144.59108300 2 8.92417600 4.75869300 2 6.58134200 9.94062100 2 6.25540300 -12.20989200 2 3.88751200 -16.19029100 2 3.81196300 6 ----- d-f potential ----- 35.84850700 2 7.75433600 53.72434200 2 7.72028100 10.11525600 2 4.97026400 14.83373100 2 4.56378900 -12.20989200 2 3.88751200 -16.19029100 2 3.81196300 BI-ECP GEN 60 3 2 ----- f-ul potential ----- 13.71338300 2 4.21454600 18.19430800 2 4.13340000 4 ----- s-f potential ----- 283.26422700 2 13.04309000 62.47195900 2 8.22168200 -13.71338300 2 4.21454600 -18.19430800 2 4.13340000 6 ----- p-f potential ----- 72.00149900 2 10.46777700 144.00227700 2 9.11890100 5.00794500 2 6.75479100 9.99155000 2 6.25259200 -13.71338300 2 4.21454600 -18.19430800 2 4.13340000 6 ----- d-f potential ----- 36.39625900 2 8.08147400 54.59766400 2 7.89059500 9.98429400 2 4.95555600 14.98148500 2 4.70455900 -13.71338300 2 4.21454600 -18.19430800 2 4.13340000 PO-ECP GEN 60 3 4 ----- f-ul potential ----- 17.42829500 2 5.01327000 23.38035300 2 4.98464000 0.16339200 2 1.32676000 0.32456600 2 1.52875800 6 ----- s-f potential ----- 283.24470600 2 13.27722700 62.39646100 2 8.39951800 -17.42829500 2 5.01327000 -23.38035300 2 4.98464000 -0.16339200 2 1.32676000 -0.32456600 2 1.52875800 8 ----- p-f potential ----- 71.99171600 2 10.66568200 143.97187100 2 9.28375300 4.94961500 2 6.87274900 9.74049900 2 6.32615000 -17.42829500 2 5.01327000 -23.38035300 2 4.98464000 -0.16339200 2 1.32676000 -0.32456600 2 1.52875800 8 ----- d-f potential ----- 36.37838300 2 8.21486600 54.56271500 2 8.00869600 9.88949900 2 5.05522700 14.69387700 2 4.78255300 -17.42829500 2 5.01327000 -23.38035300 2 4.98464000 -0.16339200 2 1.32676000 -0.32456600 2 1.52875800 AT-ECP GEN 60 3 4 ----- f-ul potential ----- 19.87019800 2 5.81216300 26.41645200 2 5.75371500 0.99497000 2 2.51347200 1.49070100 2 2.53626100 7 ----- s-f potential ----- 49.95715800 2 30.20083200 283.21037100 2 13.61230600 62.28105200 2 8.52934000 -19.87019800 2 5.81216300 -26.41645200 2 5.75371500 -0.99497000 2 2.51347200 -1.49070100 2 2.53626100 8 ----- p-f potential ----- 71.98237100 2 10.85406500 143.90353200 2 9.46822900 4.87175900 2 7.03111400 8.98305900 2 6.14385800 -19.87019800 2 5.81216300 -26.41645200 2 5.75371500 -0.99497000 2 2.51347200 -1.49070100 2 2.53626100 8 ----- d-f potential ----- 36.36323700 2 8.31351500 54.54897000 2 7.99896500 9.77628500 2 5.17996600 14.26475500 2 4.94222600 -19.87019800 2 5.81216300 -26.41645200 2 5.75371500 -0.99497000 2 2.51347200 -1.49070100 2 2.53626100 RN-ECP GEN 60 3 4 ----- f-ul potential ----- 21.79729000 2 6.34857100 28.94680500 2 6.29594900 1.44736500 2 2.88211800 2.17796400 2 2.90804800 7 ----- s-f potential ----- 49.96555100 2 30.15124200 283.07000000 2 14.52124100 62.00287000 2 8.05203800 -21.79729000 2 6.34857100 -28.94680500 2 6.29594900 -1.44736500 2 2.88211800 -2.17796400 2 2.90804800 8 ----- p-f potential ----- 71.96911900 2 11.00994200 143.86055900 2 9.61762500 4.71476100 2 7.33600800 9.01306500 2 6.40625300 -21.79729000 2 6.34857100 -28.94680500 2 6.29594900 -1.44736500 2 2.88211800 -2.17796400 2 2.90804800 8 ----- d-f potential ----- 36.36836500 2 8.36922000 54.55176100 2 8.11697500 9.63448700 2 5.35365600 14.38790200 2 5.09721200 -21.79729000 2 6.34857100 -28.94680500 2 6.29594900 -1.44736500 2 2.88211800 -2.17796400 2 2.90804800 $END