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-.933E-01 -.921E-01 -.909E-01 -.898E-01 -.886E-01 -.875E-01 -.864E-01 -.852E-01 -.841E-01 -.831E-01 -.820E-01 -.809E-01 -.799E-01 -.789E-01 -.779E-01 -.769E-01 -.759E-01 -.749E-01 -.739E-01 -.730E-01 -.721E-01 -.711E-01 -.702E-01 -.693E-01 -.684E-01 -.675E-01 -.667E-01 -.658E-01 -.650E-01 1 Fe2 ITER DVMAX R VN-1 VN DEMAX DPMAX PN-1 PN eigenwert von 1 Zustand -256.026332683451 eigenwert von 2 Zustand -29.4919649208613 eigenwert von 3 Zustand -25.3931516969834 eigenwert von 4 Zustand -24.9355344510360 eigenwert von 5 Zustand -2.87533567171470 1 1.43E+01 6.231771E-01 -9.741289E+00 -2.405399E+01 8.47E-01 -1.00E+00 0.000000E+00 1.008261E+00 NOMBRE D ITERATIONS SUPERIEUR A 1 1 Fe2 RADII AND CHARGE DENS. ALTERNATELY 0.10000000D-03 0.18596042D-02 0.10130091D-03 0.19072775D-02 0.10261874D-03 0.19561711D-02 0.10395371D-03 0.20063165D-02 0.10530605D-03 0.20577454D-02 0.10667598D-03 0.21104906D-02 0.10806374D-03 0.21645859D-02 0.10946955D-03 0.22200656D-02 0.11089364D-03 0.22769652D-02 0.11233626D-03 0.23353208D-02 0.11379765D-03 0.23951696D-02 0.11527805D-03 0.24565498D-02 0.11677771D-03 0.25195005D-02 0.11829688D-03 0.25840616D-02 0.11983581D-03 0.26502744D-02 0.12139477D-03 0.27181810D-02 0.12297400D-03 0.27878246D-02 0.12457377D-03 0.28592495D-02 0.12619436D-03 0.29325011D-02 0.12783603D-03 0.30076261D-02 0.12949906D-03 0.30846722D-02 0.13118372D-03 0.31636885D-02 0.13289030D-03 0.32447251D-02 0.13461908D-03 0.33278336D-02 0.13637034D-03 0.34130667D-02 0.13814439D-03 0.35004788D-02 0.13994152D-03 0.35901252D-02 0.14176203D-03 0.36820630D-02 0.14360622D-03 0.37763506D-02 0.14547440D-03 0.38730477D-02 0.14736689D-03 0.39722159D-02 0.14928400D-03 0.40739180D-02 0.15122604D-03 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-.265E+00 -.262E+00 -.259E+00 -.255E+00 -.252E+00 -.249E+00 -.246E+00 -.243E+00 -.240E+00 -.236E+00 -.233E+00 -.231E+00 -.228E+00 -.225E+00 -.222E+00 -.219E+00 -.216E+00 -.214E+00 -.211E+00 -.208E+00 -.205E+00 -.203E+00 -.200E+00 -.198E+00 -.195E+00 -.193E+00 -.190E+00 -.188E+00 -.186E+00 -.183E+00 -.181E+00 -.179E+00 -.176E+00 -.174E+00 1 As1 ITER DVMAX R VN-1 VN DEMAX DPMAX PN-1 PN eigenwert von 1 Zustand -429.309668902060 eigenwert von 2 Zustand -54.0485301117239 eigenwert von 3 Zustand -48.2889057009798 eigenwert von 4 Zustand -46.9480062038208 eigenwert von 5 Zustand -6.48518732752785 eigenwert von 6 Zustand -4.54996083096080 eigenwert von 7 Zustand -4.36495154093678 1 1.41E+01 8.239268E-01 -5.351649E+00 -1.940846E+01 8.56E-01 -1.00E+00 0.000000E+00 1.001964E+00 NOMBRE D ITERATIONS SUPERIEUR A 1 1 As1 RADII AND CHARGE DENS. ALTERNATELY 0.10000000D-03 0.43757189D-02 0.10128534D-03 0.44851737D-02 0.10258720D-03 0.45973615D-02 0.10390579D-03 0.47123502D-02 0.10524133D-03 0.48302096D-02 0.10659404D-03 0.49510111D-02 0.10796413D-03 0.50748280D-02 0.10935184D-03 0.52017353D-02 0.11075738D-03 0.53318099D-02 0.11218099D-03 0.54651307D-02 0.11362289D-03 0.56017783D-02 0.11508333D-03 0.57418356D-02 0.11656254D-03 0.58853874D-02 0.11806077D-03 0.60325205D-02 0.11957825D-03 0.61833240D-02 0.12111523D-03 0.63378893D-02 0.12267197D-03 0.64963097D-02 0.12424872D-03 0.66586812D-02 0.12584574D-03 0.68251019D-02 0.12746328D-03 0.69956725D-02 0.12910162D-03 0.71704962D-02 0.13076101D-03 0.73496784D-02 0.13244173D-03 0.75333277D-02 0.13414406D-03 0.77215548D-02 0.13586826D-03 0.79144735D-02 0.13761463D-03 0.81122003D-02 0.13938345D-03 0.83148546D-02 0.14117499D-03 0.85225587D-02 0.14298957D-03 0.87354380D-02 0.14482747D-03 0.89536208D-02 0.14668899D-03 0.91772388D-02 0.14857445D-03 0.94064268D-02 0.15048413D-03 0.96413230D-02 0.15241836D-03 0.98820690D-02 0.15437745D-03 0.10128810D-01 0.15636173D-03 0.10381694D-01 0.15837150D-03 0.10640874D-01 0.16040711D-03 0.10906507D-01 0.16246889D-03 0.11178750D-01 0.16455716D-03 0.11457770D-01 0.16667228D-03 0.11743733D-01 0.16881458D-03 0.12036811D-01 0.17098442D-03 0.12337181D-01 0.17318215D-03 0.12645023D-01 0.17540813D-03 0.12960523D-01 0.17766272D-03 0.13283869D-01 0.17994628D-03 0.13615256D-01 0.18225920D-03 0.13954883D-01 0.18460185D-03 0.14302954D-01 0.18697461D-03 0.14659677D-01 0.18937787D-03 0.15025268D-01 0.19181201D-03 0.15399944D-01 0.19427745D-03 0.15783930D-01 0.19677457D-03 0.16177457D-01 0.19930379D-03 0.16580761D-01 0.20186552D-03 0.16994082D-01 0.20446018D-03 0.17417668D-01 0.20708818D-03 0.17851774D-01 0.20974997D-03 0.18296658D-01 0.21244596D-03 0.18752586D-01 0.21517661D-03 0.19219832D-01 0.21794236D-03 0.19698674D-01 0.22074366D-03 0.20189399D-01 0.22358096D-03 0.20692299D-01 0.22645473D-03 0.21207674D-01 0.22936544D-03 0.21735833D-01 0.23231357D-03 0.22277091D-01 0.23529958D-03 0.22831769D-01 0.23832398D-03 0.23400199D-01 0.24138725D-03 0.23982720D-01 0.24448989D-03 0.24579678D-01 0.24763242D-03 0.25191428D-01 0.25081533D-03 0.25818335D-01 0.25403916D-03 0.26460772D-01 0.25730442D-03 0.27119120D-01 0.26061165D-03 0.27793771D-01 0.26396140D-03 0.28485125D-01 0.26735419D-03 0.29193594D-01 0.27079060D-03 0.29919597D-01 0.27427118D-03 0.30663565D-01 0.27779649D-03 0.31425940D-01 0.28136712D-03 0.32207173D-01 0.28498364D-03 0.33007727D-01 0.28864664D-03 0.33828076D-01 0.29235673D-03 0.34668706D-01 0.29611450D-03 0.35530113D-01 0.29992058D-03 0.36412808D-01 0.30377557D-03 0.37317311D-01 0.30768012D-03 0.38244158D-01 0.31163485D-03 0.39193894D-01 0.31564041D-03 0.40167081D-01 0.31969746D-03 0.41164292D-01 0.32380665D-03 0.42186116D-01 0.32796867D-03 0.43233153D-01 0.33218417D-03 0.44306021D-01 0.33645386D-03 0.45405351D-01 0.34077844D-03 0.46531789D-01 0.34515859D-03 0.47685997D-01 0.34959505D-03 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-.182E+01 -.176E+01 -.169E+01 -.163E+01 -.156E+01 -.150E+01 -.144E+01 -.139E+01 -.133E+01 -.128E+01 -.122E+01 -.117E+01 -.112E+01 -.108E+01 -.103E+01 -.984E+00 -.940E+00 -.898E+00 -.856E+00 -.816E+00 -.777E+00 -.740E+00 -.703E+00 -.668E+00 -.634E+00 -.600E+00 -.568E+00 -.537E+00 -.507E+00 -.477E+00 -.449E+00 -.421E+00 -.395E+00 -.369E+00 -.344E+00 -.320E+00 -.297E+00 -.293E+00 -.290E+00 -.286E+00 -.282E+00 -.278E+00 -.275E+00 -.271E+00 -.268E+00 -.264E+00 -.261E+00 -.258E+00 -.254E+00 -.251E+00 -.248E+00 -.245E+00 -.241E+00 -.238E+00 -.235E+00 -.232E+00 -.229E+00 -.226E+00 -.223E+00 -.220E+00 -.218E+00 -.215E+00 -.212E+00 -.209E+00 -.207E+00 -.204E+00 -.201E+00 -.199E+00 -.196E+00 -.194E+00 -.191E+00 -.189E+00 -.186E+00 -.184E+00 -.181E+00 -.179E+00 -.177E+00 1 Ba1 ITER DVMAX R VN-1 VN DEMAX DPMAX PN-1 PN eigenwert von 1 Zustand -1366.23811466561 eigenwert von 2 Zustand -215.491260822795 eigenwert von 3 Zustand -203.050223939825 eigenwert von 4 Zustand -189.039612117471 eigenwert von 5 Zustand -45.0837079667279 eigenwert von 6 Zustand -39.8524858704415 eigenwert von 7 Zustand -37.1457527348409 eigenwert von 8 Zustand -27.9341865665541 eigenwert von 9 Zustand -27.3565385550479 eigenwert von 10 Zustand -8.43979633679908 eigenwert von 11 Zustand -6.53803300969342 eigenwert von 12 Zustand -5.96927799157488 eigenwert von 13 Zustand -2.85859199664037 eigenwert von 14 Zustand -2.76203719985249 1 5.40E+00 1.208344E+00 -3.695916E+00 -9.091302E+00 9.44E-01 -1.00E+00 0.000000E+00 1.016033E+00 NOMBRE D ITERATIONS SUPERIEUR A 1 1 Ba1 RADII AND CHARGE DENS. ALTERNATELY 0.10000000D-03 0.40230257D-01 0.10130675D-03 0.41189003D-01 0.10263058D-03 0.42170515D-01 0.10397170D-03 0.43175333D-01 0.10533035D-03 0.44204006D-01 0.10670676D-03 0.45257098D-01 0.10810115D-03 0.46335184D-01 0.10951376D-03 0.47438854D-01 0.11094483D-03 0.48568713D-01 0.11239460D-03 0.49725377D-01 0.11386332D-03 0.50909479D-01 0.11535123D-03 0.52121665D-01 0.11685858D-03 0.53362597D-01 0.11838563D-03 0.54632954D-01 0.11993264D-03 0.55933427D-01 0.12149986D-03 0.57264727D-01 0.12308756D-03 0.58627578D-01 0.12469600D-03 0.60022725D-01 0.12632547D-03 0.61450926D-01 0.12797623D-03 0.62912960D-01 0.12964856D-03 0.64409623D-01 0.13134274D-03 0.65941728D-01 0.13305906D-03 0.67510110D-01 0.13479781D-03 0.69115620D-01 0.13655928D-03 0.70759132D-01 0.13834377D-03 0.72441538D-01 0.14015158D-03 0.74163752D-01 0.14198301D-03 0.75926708D-01 0.14383838D-03 0.77731362D-01 0.14571798D-03 0.79578694D-01 0.14762215D-03 0.81469703D-01 0.14955121D-03 0.83405416D-01 0.15150547D-03 0.85386878D-01 0.15348527D-03 0.87415164D-01 0.15549094D-03 0.89491370D-01 0.15752281D-03 0.91616618D-01 0.15958124D-03 0.93792058D-01 0.16166657D-03 0.96018863D-01 0.16377915D-03 0.98298236D-01 0.16591934D-03 0.10063141D+00 0.16808749D-03 0.10301963D+00 0.17028397D-03 0.10546420D+00 0.17250916D-03 0.10796643D+00 0.17476342D-03 0.11052767D+00 0.17704714D-03 0.11314929D+00 0.17936071D-03 0.11583270D+00 0.18170450D-03 0.11857935D+00 0.18407893D-03 0.12139072D+00 0.18648438D-03 0.12426830D+00 0.18892127D-03 0.12721365D+00 0.19139000D-03 0.13022834D+00 0.19389098D-03 0.13331399D+00 0.19642466D-03 0.13647225D+00 0.19899144D-03 0.13970482D+00 0.20159176D-03 0.14301341D+00 0.20422606D-03 0.14639980D+00 0.20689478D-03 0.14986580D+00 0.20959838D-03 0.15341325D+00 0.21233731D-03 0.15704405D+00 0.21511203D-03 0.16076014D+00 0.21792300D-03 0.16456348D+00 0.22077071D-03 0.16845612D+00 0.22365564D-03 0.17244011D+00 0.22657826D-03 0.17651758D+00 0.22953907D-03 0.18069068D+00 0.23253857D-03 0.18496164D+00 0.23557727D-03 0.18933272D+00 0.23865568D-03 0.19380623D+00 0.24177431D-03 0.19838455D+00 0.24493370D-03 0.20307009D+00 0.24813437D-03 0.20786534D+00 0.25137687D-03 0.21277281D+00 0.25466173D-03 0.21779512D+00 0.25798953D-03 0.22293489D+00 0.26136081D-03 0.22819484D+00 0.26477614D-03 0.23357775D+00 0.26823610D-03 0.23908643D+00 0.27174128D-03 0.24472379D+00 0.27529226D-03 0.25049278D+00 0.27888964D-03 0.25639643D+00 0.28253403D-03 0.26243783D+00 0.28622605D-03 0.26862015D+00 0.28996631D-03 0.27494661D+00 0.29375544D-03 0.28142053D+00 0.29759409D-03 0.28804529D+00 0.30148291D-03 0.29482434D+00 0.30542254D-03 0.30176120D+00 0.30941365D-03 0.30885950D+00 0.31345691D-03 0.31612292D+00 0.31755301D-03 0.32355523D+00 0.32170263D-03 0.33116029D+00 0.32590648D-03 0.33894204D+00 0.33016527D-03 0.34690452D+00 0.33447970D-03 0.35505183D+00 0.33885052D-03 0.36338818D+00 0.34327845D-03 0.37191788D+00 0.34776424D-03 0.38064533D+00 0.35230865D-03 0.38957500D+00 0.35691245D-03 0.39871151D+00 0.36157640D-03 0.40805953D+00 0.36630130D-03 0.41762386D+00 0.37108795D-03 0.42740941D+00 0.37593714D-03 0.43742117D+00 0.38084970D-03 0.44766427D+00 0.38582645D-03 0.45814393D+00 0.39086824D-03 0.46886549D+00 0.39597591D-03 0.47983441D+00 0.40115033D-03 0.49105626D+00 0.40639236D-03 0.50253674D+00 0.41170290D-03 0.51428167D+00 0.41708283D-03 0.52629700D+00 0.42253306D-03 0.53858879D+00 0.42805451D-03 0.55116325D+00 0.43364811D-03 0.56402672D+00 0.43931481D-03 0.57718567D+00 0.44505556D-03 0.59064671D+00 0.45087133D-03 0.60441660D+00 0.45676309D-03 0.61850224D+00 0.46273184D-03 0.63291066D+00 0.46877859D-03 0.64764907D+00 0.47490436D-03 0.66272480D+00 0.48111017D-03 0.67814537D+00 0.48739708D-03 0.69391843D+00 0.49376614D-03 0.71005182D+00 0.50021844D-03 0.72655351D+00 0.50675504D-03 0.74343166D+00 0.51337707D-03 0.76069461D+00 0.52008562D-03 0.77835085D+00 0.52688184D-03 0.79640907D+00 0.53376687D-03 0.81487813D+00 0.54074187D-03 0.83376707D+00 0.54780802D-03 0.85308513D+00 0.55496650D-03 0.87284173D+00 0.56221853D-03 0.89304650D+00 0.56956532D-03 0.91370925D+00 0.57700812D-03 0.93484001D+00 0.58454818D-03 0.95644901D+00 0.59218676D-03 0.97854668D+00 0.59992516D-03 0.10011437D+01 0.60776469D-03 0.10242509D+01 0.61570665D-03 0.10478793D+01 0.62375240D-03 0.10720404D+01 0.63190329D-03 0.10967456D+01 0.64016069D-03 0.11220067D+01 0.64852599D-03 0.11478358D+01 0.65700061D-03 0.11742450D+01 0.66558596D-03 0.12012469D+01 0.67428351D-03 0.12288543D+01 0.68309471D-03 0.12570801D+01 0.69202106D-03 0.12859376D+01 0.70106404D-03 0.13154404D+01 0.71022520D-03 0.13456021D+01 0.71950607D-03 0.13764370D+01 0.72890822D-03 0.14079593D+01 0.73843323D-03 0.14401836D+01 0.74808271D-03 0.14731248D+01 0.75785828D-03 0.15067982D+01 0.76776160D-03 0.15412193D+01 0.77779433D-03 0.15764037D+01 0.78795816D-03 0.16123677D+01 0.79825480D-03 0.16491275D+01 0.80868600D-03 0.16866999D+01 0.81925351D-03 0.17251020D+01 0.82995911D-03 0.17643510D+01 0.84080460D-03 0.18044647D+01 0.85179182D-03 0.18454611D+01 0.86292261D-03 0.18873584D+01 0.87419885D-03 0.19301755D+01 0.88562245D-03 0.19739312D+01 0.89719532D-03 0.20186451D+01 0.90891943D-03 0.20643368D+01 0.92079674D-03 0.21110264D+01 0.93282925D-03 0.21587344D+01 0.94501900D-03 0.22074816D+01 0.95736804D-03 0.22572893D+01 0.96987845D-03 0.23081790D+01 0.98255234D-03 0.23601726D+01 0.99539185D-03 0.24132926D+01 0.10083991D-02 0.24675618D+01 0.10215764D-02 0.25230032D+01 0.10349258D-02 0.25796404D+01 0.10484497D-02 0.26374974D+01 0.10621504D-02 0.26965985D+01 0.10760300D-02 0.27569686D+01 0.10900910D-02 0.28186329D+01 0.11043358D-02 0.28816170D+01 0.11187667D-02 0.29459470D+01 0.11333862D-02 0.30116494D+01 0.11481967D-02 0.30787512D+01 0.11632008D-02 0.31472797D+01 0.11784009D-02 0.32172628D+01 0.11937997D-02 0.32887287D+01 0.12093997D-02 0.33617062D+01 0.12252035D-02 0.34362246D+01 0.12412139D-02 0.35123134D+01 0.12574334D-02 0.35900028D+01 0.12738649D-02 0.36693234D+01 0.12905112D-02 0.37503062D+01 0.13073749D-02 0.38329828D+01 0.13244591D-02 0.39173853D+01 0.13417664D-02 0.40035460D+01 0.13593000D-02 0.40914979D+01 0.13770626D-02 0.41812747D+01 0.13950574D-02 0.42729100D+01 0.14132873D-02 0.43664385D+01 0.14317555D-02 0.44618950D+01 0.14504649D-02 0.45593149D+01 0.14694189D-02 0.46587341D+01 0.14886205D-02 0.47601890D+01 0.15080731D-02 0.48637165D+01 0.15277798D-02 0.49693539D+01 0.15477441D-02 0.50771390D+01 0.15679692D-02 0.51871104D+01 0.15884587D-02 0.52993066D+01 0.16092159D-02 0.54137671D+01 0.16302443D-02 0.55305317D+01 0.16515475D-02 0.56496407D+01 0.16731291D-02 0.57711347D+01 0.16949928D-02 0.58950551D+01 0.17171421D-02 0.60214434D+01 0.17395808D-02 0.61503420D+01 0.17623128D-02 0.62817934D+01 0.17853419D-02 0.64158407D+01 0.18086718D-02 0.65525274D+01 0.18323066D-02 0.66918975D+01 0.18562503D-02 0.68339954D+01 0.18805069D-02 0.69788660D+01 0.19050804D-02 0.71265545D+01 0.19299751D-02 0.72771066D+01 0.19551950D-02 0.74305683D+01 0.19807445D-02 0.75869861D+01 0.20066279D-02 0.77464068D+01 0.20328495D-02 0.79088777D+01 0.20594138D-02 0.80744462D+01 0.20863252D-02 0.82431603D+01 0.21135883D-02 0.84150681D+01 0.21412076D-02 0.85902183D+01 0.21691878D-02 0.87686596D+01 0.21975337D-02 0.89504410D+01 0.22262500D-02 0.91356120D+01 0.22553415D-02 0.93242221D+01 0.22848132D-02 0.95163211D+01 0.23146700D-02 0.97119590D+01 0.23449169D-02 0.99111859D+01 0.23755592D-02 0.10114052D+02 0.24066018D-02 0.10320608D+02 0.24380501D-02 0.10530904D+02 0.24699093D-02 0.10744992D+02 0.25021848D-02 0.10962920D+02 0.25348821D-02 0.11184741D+02 0.25680067D-02 0.11410505D+02 0.26015642D-02 0.11640262D+02 0.26355601D-02 0.11874062D+02 0.26700003D-02 0.12111957D+02 0.27048905D-02 0.12353996D+02 0.27402367D-02 0.12600230D+02 0.27760448D-02 0.12850707D+02 0.28123207D-02 0.13105478D+02 0.28490707D-02 0.13364592D+02 0.28863010D-02 0.13628097D+02 0.29240177D-02 0.13896042D+02 0.29622274D-02 0.14168474D+02 0.30009363D-02 0.14445442D+02 0.30401510D-02 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0.18131852D-02 0.29214646D+01 0.15125368D-02 0.29596408D+01 0.12590919D-02 0.29983159D+01 0.10458908D-02 0.30374964D+01 0.86692884D-03 0.30771889D+01 0.71703584D-03 0.31174001D+01 0.59176916D-03 0.31581368D+01 0.48731949D-03 0.31994057D+01 0.40042758D-03 0.32412140D+01 0.32831090D-03 0.32835685D+01 0.26859926D-03 0.33264766D+01 0.21927827D-03 0.33699453D+01 0.17863995D-03 0.34139821D+01 0.14523953D-03 0.34585943D+01 0.11785789D-03 0.35037895D+01 0.95468820D-04 0.35495753D+01 0.77210741D-04 0.35959594D+01 0.62362053D-04 0.36429496D+01 0.50320562D-04 0.36905539D+01 0.40582829D-04 0.37387802D+01 0.32737775D-04 0.37876367D+01 0.26421766D-04 0.38371317D+01 0.21422285D-04 0.38872734D+01 0.17284194D-04 0.39380704D+01 0.14280898D-04 0.39895311D+01 0.11380380D-04 0.40416643D+01 0.88974313D-05 0.40944788D+01 0.69339826D-05 0.41479834D+01 0.53863239D-05 0.42021872D+01 0.41703735D-05 ENERGIE (R4) (R2) (R) (R-1) (R-3) 1S -1.3662381E+03 2.0797643E-06 8.8970634E-04 2.5598617E-02 6.0654672E+01 2S -2.1549126E+02 3.4668146E-04 1.4169245E-02 1.0937466E-01 1.4240397E+01 2P* -2.0305022E+02 2.1914591E-04 1.0417431E-02 9.1966441E-02 1.4229306E+01 2P -1.8903961E+02 2.6891211E-04 1.1688685E-02 9.7960723E-02 1.2985394E+01 6.2893814E+03 3S -4.5083708E+01 1.4463477E-02 9.7595342E-02 2.9204633E-01 5.1130094E+00 3P* -3.9852486E+01 1.3568498E-02 9.2310554E-02 2.8181424E-01 5.0287291E+00 3P -3.7145753E+01 1.5860963E-02 1.0007811E-01 2.9376322E-01 4.7192789E+00 1.2448983E+03 3D* -2.7934187E+01 1.2412374E-02 8.2718576E-02 2.6453511E-01 4.5830949E+00 2.0244376E+02 3D -2.7356539E+01 1.3031969E-02 8.4937411E-02 2.6828745E-01 4.5041966E+00 1.8538542E+02 4S -8.4397963E+00 3.8529253E-01 5.1344861E-01 6.7423379E-01 2.1052931E+00 4P* -6.5380330E+00 4.6069461E-01 5.5327166E-01 6.9707866E-01 2.0004577E+00 4P -5.9692780E+00 5.3783055E-01 5.9779403E-01 7.2474398E-01 1.8982111E+00 2.6211583E+02 4D* -2.8585920E+00 8.9280122E-01 7.3555521E-01 7.9533355E-01 1.6712755E+00 3.4523335E+01 4D -2.7620372E+00 9.3948815E-01 7.5430409E-01 8.0545890E-01 1.6460004E+00 3.1316106E+01 0 ET=-7.8226773E+03 EC= 8.9137281E+03 EE= 2.8813376E+03 EX=-1.8164634E+02 EN=-1.9436097E+04 1 Ba1 0 INTEGRALES DE RECOUVREMENT 2S 1S 0.0000000 3S 1S 0.0000000 3S 2S 0.0000000 3P* 2P* 0.0000000 3P 2P 0.0000000 4S 1S 0.0000000 4S 2S 0.0000000 4S 3S 0.0000000 4P* 2P* 0.0000000 4P* 3P* 0.0000000 4P 2P 0.0000000 4P 3P 0.0000000 4D* 3D* 0.0000000 4D 3D 0.0000000