!---------------------------------------------------------------------- ! Basis Set Exchange ! Version 2.1.0+44.g1191679.dirty ! https://www.basissetexchange.org !---------------------------------------------------------------------- ! Basis set: def2-SVPD ! Description: def2-SVPD ! Role: orbital ! Version: 1 (Data from Turbomole 7.3) !---------------------------------------------------------------------- $DATA HYDROGEN S 3 1 13.0107010 0.19682158E-01 2 1.9622572 0.13796524 3 0.44453796 0.47831935 S 1 1 0.12194962 1.0000000 P 1 1 0.8000000 1.0000000 P 1 1 0.11704099050 1.0000000 HELIUM S 3 1 38.354936737 0.23814288905E-01 2 5.7689081479 0.15490906777 3 1.2399407035 0.46998096633 S 1 1 0.29757815953 1.0000000 P 1 1 1.0000000 1.0000000 P 1 1 0.22039119441 1.0000000 LITHIUM S 5 1 266.27785516 0.64920150325E-02 2 40.069783447 0.47747863215E-01 3 9.0559944389 0.20268796111 4 2.4503009051 0.48606574817 5 0.72209571855 0.43626977955 S 1 1 0.52810884721E-01 1.0000000 S 1 1 0.20960948798E-01 1.0000000 P 2 1 1.4500000 0.2586000 2 0.3000000 1.0000000 P 1 1 0.0820000 1.0000000 P 1 1 0.26347662457E-01 1.0000000 BERYLLIUM S 5 1 515.18616125 0.55615307983E-02 2 77.511037595 0.41190068062E-01 3 17.552481693 0.17913378108 4 4.8028940596 0.44736716455 5 1.4516214316 0.42009581920 S 1 1 0.13281633620 1.0000000 S 1 1 0.45837372213E-01 1.0000000 P 3 1 3.6316917145 -0.29033998305E-01 2 0.71695694366 -0.16877854032 3 0.19541932860 -0.51403419628 P 1 1 0.60515465890E-01 1.0000000 P 1 1 0.30181880660E-01 1.0000000 BORON S 5 1 839.31830086 -0.55929201074E-02 2 126.26464843 -0.41565520771E-01 3 28.620600763 -0.18299816983 4 7.8793722710 -0.46540391866 5 2.4088857172 -0.44173884791 S 1 1 0.25105109036 1.0000000 S 1 1 0.83648866069E-01 1.0000000 S 1 1 0.42351565332E-01 1.0000000 P 3 1 6.0332223619 -0.35603672456E-01 2 1.2499157866 -0.19895775769 3 0.33871676350 -0.50850202618 P 1 1 0.96415632351E-01 1.0000000 D 1 1 0.5000000 1.0000000 D 1 1 0.74392443101E-01 1.0000000 CARBON S 5 1 1238.4016938 0.54568832082E-02 2 186.29004992 0.40638409211E-01 3 42.251176346 0.18025593888 4 11.676557932 0.46315121755 5 3.5930506482 0.44087173314 S 1 1 0.40245147363 1.0000000 S 1 1 0.13090182668 1.0000000 S 1 1 0.67053540256E-01 1.0000000 P 3 1 9.4680970621 0.38387871728E-01 2 2.0103545142 0.21117025112 3 0.54771004707 0.51328172114 P 1 1 0.15268613795 1.0000000 D 1 1 0.8000000 1.0000000 D 1 1 0.11713185140 1.0000000 NITROGEN S 5 1 1712.8415853 -0.53934125305E-02 2 257.64812677 -0.40221581118E-01 3 58.458245853 -0.17931144990 4 16.198367905 -0.46376317823 5 5.0052600809 -0.44171422662 S 1 1 0.58731856571 1.0000000 S 1 1 0.18764592253 1.0000000 S 1 1 0.96171241529E-01 1.0000000 P 3 1 13.571470233 -0.40072398852E-01 2 2.9257372874 -0.21807045028 3 0.79927750754 -0.51294466049 P 1 1 0.21954348034 1.0000000 D 1 1 1.0000000 1.0000000 D 1 1 0.16697708112 1.0000000 OXYGEN S 5 1 2266.1767785 -0.53431809926E-02 2 340.87010191 -0.39890039230E-01 3 77.363135167 -0.17853911985 4 21.479644940 -0.46427684959 5 6.6589433124 -0.44309745172 S 1 1 0.80975975668 1.0000000 S 1 1 0.25530772234 1.0000000 S 1 1 0.76572453250E-01 1.0000000 P 3 1 17.721504317 0.43394573193E-01 2 3.8635505440 0.23094120765 3 1.0480920883 0.51375311064 P 1 1 0.27641544411 1.0000000 P 1 1 0.69002276350E-01 1.0000000 D 1 1 1.2000000 1.0000000 D 1 1 0.17992024323 1.0000000 FLUORINE S 5 1 2894.8325990 -0.53408255515E-02 2 435.41939120 -0.39904258866E-01 3 98.843328866 -0.17912768038 4 27.485198001 -0.46758090825 5 8.5405498171 -0.44653131020 S 1 1 1.0654578038 1.0000000 S 1 1 0.33247346748 1.0000000 S 1 1 0.98097752264E-01 1.0000000 P 3 1 22.696633924 -0.45212874436E-01 2 4.9872339257 -0.23754317067 3 1.3491613954 -0.51287353587 P 1 1 0.34829881977 1.0000000 P 1 1 0.83372148304E-01 1.0000000 D 1 1 1.4000000 1.0000000 D 1 1 0.22301361948 1.0000000 NEON S 5 1 3598.9736625 -0.53259297003E-02 2 541.32073112 -0.39817417969E-01 3 122.90450062 -0.17914358188 4 34.216617022 -0.46893582977 5 10.650584124 -0.44782537577 S 1 1 1.3545953960 1.0000000 S 1 1 0.41919362639 1.0000000 S 1 1 0.12055043545 1.0000000 P 3 1 28.424053785 -0.46031944795E-01 2 6.2822510953 -0.23993183041 3 1.6978715079 -0.50871724964 P 1 1 0.43300700172 1.0000000 P 1 1 0.10141942051 1.0000000 D 1 1 1.8880000 1.0000000 D 1 1 0.28026803041 1.0000000 SODIUM S 5 1 4098.2003908 -0.58535911879E-02 2 616.49374031 -0.43647161872E-01 3 139.96644001 -0.19431465884 4 39.073441051 -0.48685065731 5 11.929847205 -0.41881705137 S 3 1 20.659966030 0.85949689854E-01 2 1.9838860978 -0.56359144041 3 0.64836323942 -0.51954009048 S 1 1 0.52443967404E-01 1.0000000 S 1 1 0.28048160742E-01 1.0000000 P 5 1 75.401862017 0.154353625324E-01 2 17.274818978 0.997382931840E-01 3 5.1842347425 0.312095939659 4 1.6601211973 0.492956748074 5 0.51232528958 0.324203983180 P 1 1 0.0520000 1.0000000 P 1 1 0.19853008514E-01 1.0000000 D 1 1 0.1310000 1.0000000 MAGNESIUM S 5 1 4953.8339196 -0.57778967498E-02 2 745.18044154 -0.43124761082E-01 3 169.21604972 -0.19268216987 4 47.300672019 -0.48641439116 5 14.461336973 -0.42550894077 S 3 1 24.768174789 0.87956969984E-01 2 2.4940945349 -0.55165058128 3 0.87807584533 -0.53443294833 S 1 1 0.87212782497E-01 1.0000000 S 1 1 0.33599293780E-01 1.0000000 P 5 1 98.053010494 -0.14480564601E-01 2 22.586932277 -0.95495750787E-01 3 6.8391509842 -0.30787672651 4 2.2332843818 -0.49936292886 5 0.71606599387 -0.31503476213 P 1 1 0.18914796195 1.0000000 P 1 1 0.53768755187E-01 1.0000000 P 1 1 0.23963578287E-01 1.0000000 D 1 1 0.1010000 1.0000000 ALUMINUM S 5 1 5887.5727030 0.13483347987E-02 2 885.61225996 0.10071576809E-01 3 201.13604899 0.45132454056E-01 4 56.284974674 0.11461268043 5 17.229551243 0.10159608943 S 3 1 29.340249922 0.69347454208E-01 2 3.0439630420 -0.42528117679 3 1.1285539518 -0.41449832210 S 1 1 0.14234175160 1.0000000 S 1 1 0.54400192313E-01 1.0000000 S 1 1 0.32535359511E-01 1.0000000 P 5 1 145.11918809 0.63963373134E-02 2 33.717894833 0.44189359965E-01 3 10.369863083 0.15581575993 4 3.5135616036 0.28635286951 5 1.1980050273 0.22921423248 P 1 1 0.26583005913 1.0000000 P 1 1 0.71003361994E-01 1.0000000 D 1 1 0.3000000 1.0000000 D 1 1 0.53071685831E-01 1.0000000 SILICON S 5 1 6903.7118686 0.13373962995E-02 2 1038.4346419 0.99966546241E-02 3 235.87581480 0.44910165101E-01 4 66.069385169 0.11463638540 5 20.247945761 0.10280063858 S 3 1 34.353481730 0.70837285010E-01 2 3.6370788192 -0.43028836252 3 1.4002048599 -0.41382774969 S 1 1 0.20484414805 1.0000000 S 1 1 0.77994095468E-01 1.0000000 S 1 1 0.46834778282E-01 1.0000000 P 5 1 179.83907373 0.61916656462E-02 2 41.907258846 0.43399431982E-01 3 12.955294367 0.15632019351 4 4.4383267393 0.29419996982 5 1.5462247904 0.23536823814 P 1 1 0.35607612302 1.0000000 P 1 1 0.10008513762 1.0000000 D 1 1 0.3500000 1.0000000 D 1 1 0.74117707708E-01 1.0000000 PHOSPHORUS S 5 1 8002.4795106 0.57503489302E-02 2 1203.6813590 0.43007628959E-01 3 273.44227031 0.19363986252 4 76.655541517 0.49651693399 5 23.516927435 0.44983262479 S 3 1 39.791683439 0.95188129789E-01 2 4.2770343323 -0.57649840368 3 1.6940256888 -0.54239583865 S 1 1 0.27567674644 1.0000000 S 1 1 0.10495590099 1.0000000 S 1 1 0.64309734755E-01 1.0000000 P 5 1 219.50755823 0.92100565257E-02 2 51.274155030 0.65409765745E-01 3 15.921595892 0.24033730279 4 5.5069913481 0.46318321788 5 1.9537719426 0.37392563382 P 1 1 0.47803397932 1.0000000 P 1 1 0.13657952621 1.0000000 D 1 1 0.4500000 1.0000000 D 1 1 0.99587311089E-01 1.0000000 SULFUR S 5 1 9184.9303010 -0.22294387756E-02 2 1381.5105503 -0.16683029937E-01 3 313.87147580 -0.75262436116E-01 4 88.053870623 -0.19376827038 5 27.039914905 -0.17718020803 S 3 1 45.648731303 -0.10736062573 2 4.9664522326 0.65066293018 3 2.0116242047 0.59712155354 S 1 1 0.35661077013 1.0000000 S 1 1 0.13507221477 1.0000000 S 1 1 0.44999823506E-01 1.0000000 P 5 1 261.98233439 -0.92729929822E-02 2 61.306894736 -0.66547669241E-01 3 19.103729887 -0.24828595903 4 6.6567720378 -0.48703847402 5 2.3959635161 -0.39337850312 P 1 1 0.61776161679 1.0000000 P 1 1 0.16993376871 1.0000000 P 1 1 0.41706793676E-01 1.0000000 D 1 1 0.5500000 1.0000000 D 1 1 0.10172853717 1.0000000 CHLORINE S 5 1 10449.8275660 0.19708362484E-02 2 1571.7365221 0.14754727977E-01 3 357.12065523 0.66679112875E-01 4 100.25185935 0.17228924084 5 30.812727554 0.15883786100 S 3 1 51.923789434 -0.10009298909 2 5.7045760975 0.60841752753 3 2.3508376809 0.54352153355 S 1 1 0.44605124672 1.0000000 S 1 1 0.16848856190 1.0000000 S 1 1 0.55344229413E-01 1.0000000 P 5 1 307.66790569 -0.87801484118E-02 2 72.102015515 -0.63563355471E-01 3 22.532680262 -0.24016428276 4 7.8991765444 -0.47798866557 5 2.8767268321 -0.38515850005 P 1 1 0.77459363955 1.0000000 P 1 1 0.21037699698 1.0000000 P 1 1 0.50046271086E-01 1.0000000 D 1 1 0.6500000 1.0000000 D 1 1 0.12284803390 1.0000000 ARGON S 5 1 11797.1197650 0.20214479973E-02 2 1774.3522753 0.15139852688E-01 3 403.18875733 0.68525400873E-01 4 113.24933999 0.17762929207 5 34.835298193 0.16496495001 S 3 1 58.614775042 -0.10343394000 2 6.4922045078 0.63133365899 3 2.7117014403 0.54887572301 S 1 1 0.54412974538 1.0000000 S 1 1 0.20517411136 1.0000000 S 1 1 0.66442487045E-01 1.0000000 P 5 1 356.28707256 -0.87321783271E-02 2 83.593132866 -0.63680317444E-01 3 26.186704029 -0.24311906886 4 9.2257275925 -0.48956069653 5 3.3922754954 -0.39229190040 P 1 1 0.94740534010 1.0000000 P 1 1 0.25659135062 1.0000000 P 1 1 0.59491455142E-01 1.0000000 D 1 1 0.6960000 1.0000000 D 1 1 0.14309493859 1.0000000 POTASSIUM S 6 1 31478.7467640 0.39838653994E-02 2 4726.8876066 0.30501759762E-01 3 1075.4345353 0.15073752622 4 303.39811023 0.51912939801 5 98.327112831 1.0366957005 6 33.636222177 0.76398963199 S 3 1 65.639209962 -0.28242617106 2 7.3162592218 1.6914935860 3 2.8902580135 1.2965331953 S 3 1 4.5459748965 -0.76343555273E-02 2 0.70404124062 0.25635718960E-01 3 0.28266888959 0.16606859208E-01 S 1 1 0.29058164020E-01 1.0000000 S 1 1 0.12111638157E-01 1.0000000 P 5 1 361.22492154 0.20906479823E-01 2 84.670222166 0.15043641740 3 26.469088236 0.55440061077 4 9.2658077615 1.0409009991 5 3.3423388293 0.67825341194 P 3 1 1.5100876104 0.75248191146 2 0.56568375163 1.3708585031 3 0.20817008495 0.66047633079 P 1 1 0.0417370 1.0000000 P 1 1 0.16603217986E-01 1.0000000 D 1 1 0.3530000 1.0000000 D 1 1 0.0980000 1.0000000 CALCIUM S 6 1 35138.7139290 0.39482520740E-02 2 5276.4111348 0.30234243552E-01 3 1200.4692589 0.14952019681 4 338.71810542 0.51597345713 5 109.85385922 1.0339510296 6 37.608880299 0.76937933526 S 3 1 73.107977555 -0.28268525011 2 8.2407705688 1.6796092142 3 3.2959812993 1.2803766016 S 3 1 5.2341800914 -0.76868604561E-02 2 0.84187220515 0.25382375978E-01 3 0.36510294029 0.16512171511E-01 S 1 1 0.51222402884E-01 1.0000000 S 1 1 0.19825111408E-01 1.0000000 P 5 1 413.11313893 0.20327135354E-01 2 96.935786224 0.14730276362 3 30.372154659 0.54887167322 4 10.684776830 1.0440659818 5 3.8821258350 0.68653490684 P 3 1 1.7993016295 0.75410246871 2 0.69189056530 1.3409296599 3 0.26364024096 0.56391989435 P 1 1 0.0749790 1.0000000 P 1 1 0.23809355789E-01 1.0000000 D 3 1 5.4979093879 0.73770011433E-01 2 1.3177128032 0.26052853169 3 0.32188682649 0.45233836380 D 1 1 0.70528614919E-01 1.0000000 SCANDIUM S 6 1 38956.0818040 0.39293205858E-02 2 5849.5733637 0.30093221229E-01 3 1330.8813154 0.14890370950 4 375.55534165 0.51464282906 5 121.87261370 1.0337708070 6 41.760243729 0.77436851627 S 3 1 81.060633953 -0.28318552316 2 9.2059823972 1.6770806984 3 3.7063215732 1.2594733678 S 3 1 5.9888909988 -0.77821367493E-02 2 0.97363432378 0.25499692745E-01 3 0.42041019223 0.16191560820E-01 S 1 1 0.59440551913E-01 1.0000000 S 1 1 0.22897806303E-01 1.0000000 P 5 1 466.31481262 0.19984300385E-01 2 109.51217097 0.14561043072 3 34.375921827 0.54687466223 4 12.142096955 1.0479006012 5 4.4336767669 0.68894890327 P 3 1 2.0971291866 0.75619214724 2 0.80977606956 1.3178212235 3 0.30834046588 0.54312268173 P 1 1 0.0897480 1.0000000 P 1 1 0.28148150384E-01 1.0000000 D 4 1 19.240334928 0.27039082144E-01 2 5.1178995899 0.13803684743 3 1.6554278827 0.34869086403 4 0.54016355610 0.48594185717 D 1 1 0.16211214518 .34374449689 F 1 1 0.3450000 1.0000000 TITANIUM S 6 1 42961.5121850 0.39127635355E-02 2 6450.9759169 0.29969820489E-01 3 1467.7210915 0.14836352707 4 414.20997355 0.51347285324 5 134.48715840 1.0335365483 6 46.122209796 0.77854233930 S 3 1 89.447762543 -0.28385401259 2 10.223346060 1.6772785333 3 4.1353774271 1.2411928456 S 3 1 6.7896181452 -0.78399994518E-02 2 1.1106730691 0.25495493019E-01 3 0.47565975578 0.16061172892E-01 S 1 1 0.65986956934E-01 1.0000000 S 1 1 0.25210342250E-01 1.0000000 P 5 1 522.03684782 0.19754179642E-01 2 122.68649489 0.14460677619 3 38.572903611 0.54669004165 4 13.672169319 1.0531647540 5 5.0118529359 0.69111213363 P 3 1 2.4131928282 0.75803437136 2 0.93252270050 1.3036241399 3 0.35429058390 0.53638653300 P 1 1 0.1015610 1.0000000 P 1 1 0.35788253200E-01 1.0000000 D 4 1 23.465125957 0.26536380115E-01 2 6.3332593832 0.13796453963 3 2.0766489946 0.35312644228 4 0.69027361954 0.48647124166 D 1 1 0.21088738554 .33026314258 F 1 1 0.5620000 1.0000000 VANADIUM S 6 1 47160.3760600 0.14498688908E-02 2 7081.4110871 0.11106435251E-01 3 1611.1621223 0.55005423585E-01 4 454.72940551 0.19060252591 5 147.71321208 0.38435022957 6 50.699538950 0.29095546792 S 3 1 98.262492669 -0.10942337856 2 11.294293099 0.64539490399 3 4.5853360105 0.47117880777 S 3 1 7.6359689588 -0.22454949054 2 1.2539836689 0.72594852764 3 0.53271935387 0.45560582748 S 1 1 0.72246239566E-01 1.0000000 S 1 1 0.27358087448E-01 1.0000000 P 5 1 580.55044988 0.97315110917E-02 2 136.52341127 0.71531241137E-01 3 42.983958820 0.27197688414 4 15.282798763 0.52618988893 5 5.6202495154 0.34452533498 P 3 1 2.7485386415 0.34040396496 2 1.0618550073 0.57983996120 3 0.40235518645 0.23911643083 P 1 1 0.1112480 1.0000000 P 1 1 0.35000888460E-01 1.0000000 D 4 1 27.358434017 0.26641927050E-01 2 7.4540604253 0.13995311726 3 2.4633917847 0.35751066639 4 0.82480925277 0.48488354148 D 1 1 0.25257904742 .32332844995 F 1 1 0.8310000 1.0000000 CHROMIUM S 6 1 51528.0863490 0.14405823106E-02 2 7737.2103487 0.11036202287E-01 3 1760.3748470 0.54676651806E-01 4 496.87706544 0.18965038103 5 161.46520598 0.38295412850 6 55.466352268 0.29090050668 S 3 1 107.54732999 -0.10932281100 2 12.408671897 0.64472599471 3 5.0423628826 0.46262712560 S 3 1 8.5461640165 -0.22711013286 2 1.3900441221 0.73301527591 3 0.56066602876 0.44225565433 S 1 1 0.71483705972E-01 1.0000000 S 1 1 0.28250687604E-01 1.0000000 P 5 1 640.48536096 0.96126715203E-02 2 150.69711194 0.70889834655E-01 3 47.503755296 0.27065258990 4 16.934120165 0.52437343414 5 6.2409680590 0.34107994714 P 3 1 3.0885463206 0.33973986903 2 1.1791047769 0.57272062927 3 0.43369774432 0.24582728206 P 1 1 0.1206750 1.0000000 P 1 1 0.33978554488E-01 1.0000000 D 4 1 27.559479426 0.30612488044E-01 2 7.4687020327 0.15593270944 3 2.4345903574 0.36984421276 4 0.78244754808 0.47071118077 D 1 1 0.21995774311 .33941649889 F 1 1 1.1470000 1.0000000 MANGANESE S 6 1 56137.0090370 0.14321304702E-02 2 8429.2063943 0.10972509162E-01 3 1917.8277233 0.54382468712E-01 4 541.36230198 0.18884335129 5 176.00069142 0.38198025054 6 60.500477010 0.29156772596 S 3 1 117.17282882 -0.10933661328 2 13.596973368 0.64305039431 3 5.5483996341 0.45848970584 S 3 1 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4 1 9.0323058024 0.22738839085 2 7.5356419671 -0.35117975889 3 1.0521421998 0.25690085604 4 0.50303932656 0.84549942764E-01 P 1 1 2.0067660913 1.0000000 P 1 1 0.16675605056 1.0000000 P 1 1 0.48596401464E-01 1.0000000 D 5 1 9.4421940760 0.58250776986E-01 2 7.4410003381 -0.11789199301 3 1.9831617772 0.34232057636 4 0.91671748567 0.47557282350 5 0.39647207885 0.30528029435 D 1 1 0.15500000000 1.0000000 D 1 1 0.39237960293E-01 1.0000000 LEAD S 6 1 55.727520333 0.29681153058E-02 2 20.302912827 -0.14352634362 3 14.558628750 0.37554188507 4 6.5370530973 -0.67253099800 5 1.5933900686 0.95887533909 6 0.83051419711 0.32593632538 S 2 1 8.0719473648 -0.20412061217E-01 2 1.4165737490 0.32865829049 S 1 1 0.20418933370 1.0000000 S 1 1 0.77159007761E-01 1.0000000 S 1 1 0.33059793391E-01 1.0000000 P 4 1 9.5531412199 0.20542943990 2 7.5327685129 -0.36407590058 3 1.1185539567 0.32217481686 4 0.53739855255 0.96677743015E-01 P 1 1 2.1359869828 1.0000000 P 1 1 0.20027494801 1.0000000 P 1 1 0.63408011513E-01 1.0000000 D 5 1 13.494505735 0.11571042371E-01 2 7.0609770411 -0.66746645076E-01 3 2.1581835375 0.33978760942 4 1.0148541418 0.48523039273 5 0.44632672920 0.29682924018 D 1 1 0.17500000000 1.0000000 D 1 1 0.50585085346E-01 1.0000000 BISMUTH S 6 1 175.19632102 0.80278879028E-03 2 19.820147783 -0.14624461250 3 14.960110102 0.37435719885 4 6.7065785571 -0.68476017748 5 1.7391967524 0.90967322081 6 0.94504730591 0.38695797807 S 2 1 8.4636832909 -0.20037183144E-01 2 1.5317838545 0.31054408682 S 1 1 0.23405391503 1.0000000 S 1 1 0.90268814613E-01 1.0000000 S 1 1 0.41577775054E-01 1.0000000 P 4 1 10.672046293 0.14391258793 2 7.1992185915 -0.37994608603 3 1.5359697528 0.53268032065 4 0.72201275727 0.23037698678 P 1 1 2.8508661858 1.0000000 P 1 1 0.23769418731 1.0000000 P 1 1 0.78768140453E-01 1.0000000 D 5 1 15.834273510 0.85062993231E-02 2 7.0956896087 -0.65954380016E-01 3 2.3363137007 0.33707163406 4 1.1208861366 0.49128719933 5 0.50309487376 0.29095930644 D 1 1 0.20000000000 1.0000000 D 1 1 0.62256480090E-01 1.0000000 POLONIUM S 6 1 278.13783916 0.91690497839E-03 2 19.659291105 -0.14713009283 3 15.016229647 0.38790413631 4 7.1149978720 -0.67059966298 5 1.7879214122 0.91212928327 6 0.94021655206 0.29153755200 S 2 1 8.7584161749 -0.21561417525E-01 2 1.6503945866 0.31638990001 S 1 1 0.26329582133 1.0000000 S 1 1 0.10190654304 1.0000000 S 1 1 0.36854928339E-01 1.0000000 P 4 1 10.445945973 0.23631841405 2 8.0293101888 -0.45017818996 3 1.3588798023 0.44160334658 4 0.66829182929 0.14575285544 P 1 1 2.4460635387 1.0000000 P 1 1 0.27242942777 1.0000000 P 1 1 0.88796031338E-01 1.0000000 P 1 1 0.24278917089E-01 1.0000000 D 5 1 18.292670150 0.72030963652E-02 2 7.1695578539 -0.66160544754E-01 3 2.5029225180 0.34363449378 4 1.2115945443 0.50529101033 5 0.54713334240 0.28301155453 D 1 1 0.21500000000 1.0000000 D 1 1 0.60680939679E-01 1.0000000 ASTATINE S 6 1 303.23376176 0.63504969788E-03 2 20.289449240 -0.13823165350 3 15.383783126 0.38333193283 4 7.4702184232 -0.66837560338 5 1.8731608346 0.91545877992 6 0.97426847543 0.25559567998 S 2 1 8.9610112498 -0.23092977605E-01 2 1.7804284294 0.31690635939 S 1 1 0.29269461143 1.0000000 S 1 1 0.11395353119 1.0000000 S 1 1 0.42558321816E-01 1.0000000 P 4 1 10.722023134 0.26194870008 2 8.4823338656 -0.46607228264 3 1.3474291294 0.42119853309 4 0.62824011467 0.10643224457 P 1 1 2.4814896839 1.0000000 P 1 1 0.31036518470 1.0000000 P 1 1 0.10144862043 1.0000000 P 1 1 0.26996558228E-01 1.0000000 D 5 1 20.799819604 0.65227965381E-02 2 7.1664616770 -0.67780885217E-01 3 2.6934397048 0.33954991335 4 1.3175112423 0.50899559178 5 0.59997066293 0.27526771759 D 1 1 0.23500000000 1.0000000 D 1 1 0.67929272623E-01 1.0000000 RADON S 5 1 5187.7442468 0.16097034848E-03 2 768.14491207 0.10508214789E-02 3 159.35182065 0.27375438093E-02 4 21.863432724 -0.55045904905 5 18.388689978 0.78321373922 S 2 1 24.816226448 -0.82636797204E-01 2 7.2923301677 1.0926256000 S 1 1 2.0850437166 1.0000000 S 1 1 1.0915245945 1.0000000 S 1 1 0.34915708428 1.0000000 S 1 1 0.13648422952 1.0000000 S 1 1 0.46837581728E-01 1.0000000 P 4 1 9.0845000304 -0.23093917426 2 6.2631489717 0.39747614192 3 2.2545193734 0.83026693838 4 1.1180666918 0.51467013112 P 3 1 194.68918723 0.26265814046E-03 2 11.210013525 0.19952302621 3 7.5298316489 -0.45994479561 P 1 1 0.47444492594 1.0000000 P 1 1 0.20172354616 1.0000000 P 1 1 0.79503144392E-01 1.0000000 P 1 1 0.22264519316E-01 1.0000000 D 6 1 75.302723665 0.73590238429E-03 2 17.965913830 0.89490827389E-02 3 7.3741298033 -0.76641663693E-01 4 3.2296258578 0.22975404602 5 1.7937840508 0.43991495311 6 0.94633319732 0.35259395198 D 1 1 0.46860482223 1.0000000 D 1 1 0.20000000000 1.0000000 D 1 1 0.68815941916E-01 1.0000000 F 1 1 2.1000000 1.0000000 F 1 1 0.4180600 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 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