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-24.9758553026195 eigenwert von 5 Zustand -2.91812988100878 1 1.43E+01 6.174011E-01 -1.000228E+01 -2.429038E+01 8.45E-01 -1.00E+00 0.000000E+00 1.003281E+00 NOMBRE D ITERATIONS SUPERIEUR A 1 1 Fe RADII AND CHARGE DENS. 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0.42033540D-02 0.15322041D-03 0.43109988D-02 0.15521450D-03 0.44213944D-02 0.15723453D-03 0.45346107D-02 0.15928086D-03 0.46507196D-02 0.16135382D-03 0.47697948D-02 0.16345376D-03 0.48919118D-02 0.16558102D-03 0.50171480D-02 0.16773598D-03 0.51455828D-02 0.16991897D-03 0.52772976D-02 0.17213038D-03 0.54123759D-02 0.17437057D-03 0.55509033D-02 0.17663991D-03 0.56929675D-02 0.17893879D-03 0.58386585D-02 0.18126759D-03 0.59880684D-02 0.18362669D-03 0.61412919D-02 0.18601650D-03 0.62984260D-02 0.18843741D-03 0.64595700D-02 0.19088982D-03 0.66248259D-02 0.19337415D-03 0.67942981D-02 0.19589082D-03 0.69680938D-02 0.19844024D-03 0.71463228D-02 0.20102284D-03 0.73290979D-02 0.20363904D-03 0.75165343D-02 0.20628930D-03 0.77087504D-02 0.20897405D-03 0.79058678D-02 0.21169374D-03 0.81080106D-02 0.21444882D-03 0.83153066D-02 0.21723977D-03 0.85278864D-02 0.22006703D-03 0.87458841D-02 0.22293109D-03 0.89694372D-02 0.22583242D-03 0.91986866D-02 0.22877151D-03 0.94337767D-02 0.23174886D-03 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-.665E-01 -.625E-01 -.592E-01 -.565E-01 -.543E-01 -.528E-01 -.521E-01 -.514E-01 -.508E-01 -.501E-01 -.495E-01 -.489E-01 -.482E-01 -.476E-01 -.470E-01 -.464E-01 -.458E-01 -.453E-01 -.447E-01 -.441E-01 -.436E-01 -.430E-01 -.425E-01 -.419E-01 -.414E-01 -.409E-01 -.404E-01 -.398E-01 -.393E-01 -.388E-01 -.384E-01 -.379E-01 -.374E-01 -.369E-01 -.364E-01 -.360E-01 -.355E-01 -.351E-01 -.346E-01 -.342E-01 -.338E-01 -.333E-01 -.329E-01 -.325E-01 -.321E-01 -.317E-01 1 O ITER DVMAX R VN-1 VN DEMAX DPMAX PN-1 PN eigenwert von 1 Zustand -18.2725119680697 1 7.07E+00 1.876470E-01 -2.890775E+01 -3.597806E+01 1.42E-01 -1.00E+00 0.000000E+00 1.008713E+00 NOMBRE D ITERATIONS SUPERIEUR A 1 1 O RADII AND CHARGE DENS. ALTERNATELY 0.10000000D-03 0.38208058D-04 0.10128349D-03 0.39192610D-04 0.10258345D-03 0.40202523D-04 0.10390010D-03 0.41238447D-04 0.10523364D-03 0.42301052D-04 0.10658430D-03 0.43391026D-04 0.10795230D-03 0.44509073D-04 0.10933785D-03 0.45655915D-04 0.11074119D-03 0.46832293D-04 0.11216254D-03 0.48038968D-04 0.11360213D-03 0.49276719D-04 0.11506020D-03 0.50546347D-04 0.11653699D-03 0.51848670D-04 0.11803273D-03 0.53184532D-04 0.11954766D-03 0.54554794D-04 0.12108204D-03 0.55960343D-04 0.12263612D-03 0.57402085D-04 0.12421014D-03 0.58880953D-04 0.12580436D-03 0.60397902D-04 0.12741904D-03 0.61953911D-04 0.12905445D-03 0.63549986D-04 0.13071085D-03 0.65187157D-04 0.13238851D-03 0.66866482D-04 0.13408770D-03 0.68589044D-04 0.13580870D-03 0.70355957D-04 0.13755178D-03 0.72168362D-04 0.13931724D-03 0.74027428D-04 0.14110536D-03 0.75934356D-04 0.14291644D-03 0.77890378D-04 0.14475075D-03 0.79896755D-04 0.14660861D-03 0.81954783D-04 0.14849031D-03 0.84065790D-04 0.15039617D-03 0.86231140D-04 0.15232648D-03 0.88452229D-04 0.15428158D-03 0.90730492D-04 0.15626176D-03 0.93067398D-04 0.15826736D-03 0.95464455D-04 0.16029871D-03 0.97923211D-04 0.16235612D-03 0.10044525D-03 0.16443994D-03 0.10303220D-03 0.16655051D-03 0.10568574D-03 0.16868816D-03 0.10840756D-03 0.17085326D-03 0.11119944D-03 0.17304614D-03 0.11406316D-03 0.17526716D-03 0.11700059D-03 0.17751670D-03 0.12001360D-03 0.17979510D-03 0.12310415D-03 0.18210275D-03 0.12627422D-03 0.18444002D-03 0.12952587D-03 0.18680728D-03 0.13286118D-03 0.18920493D-03 0.13628231D-03 0.19163336D-03 0.13979147D-03 0.19409295D-03 0.14339091D-03 0.19658411D-03 0.14708296D-03 0.19910724D-03 0.15086999D-03 0.20166276D-03 0.15475445D-03 0.20425107D-03 0.15873884D-03 0.20687261D-03 0.16282573D-03 0.20952780D-03 0.16701774D-03 0.21221706D-03 0.17131759D-03 0.21494084D-03 0.17572804D-03 0.21769958D-03 0.18025194D-03 0.22049373D-03 0.18489219D-03 0.22332374D-03 0.18965178D-03 0.22619007D-03 0.19453379D-03 0.22909320D-03 0.19954135D-03 0.23203358D-03 0.20467769D-03 0.23501170D-03 0.20994612D-03 0.23802805D-03 0.21535002D-03 0.24108311D-03 0.22089288D-03 0.24417738D-03 0.22657826D-03 0.24731137D-03 0.23240983D-03 0.25048558D-03 0.23839133D-03 0.25370054D-03 0.24452662D-03 0.25695675D-03 0.25081965D-03 0.26025476D-03 0.25727445D-03 0.26359510D-03 0.26389519D-03 0.26697831D-03 0.27068612D-03 0.27040494D-03 0.27765161D-03 0.27387556D-03 0.28479614D-03 0.27739072D-03 0.29212431D-03 0.28095100D-03 0.29964082D-03 0.28455697D-03 0.30735051D-03 0.28820922D-03 0.31525833D-03 0.29190835D-03 0.32336938D-03 0.29565496D-03 0.33168885D-03 0.29944966D-03 0.34022210D-03 0.30329306D-03 0.34897460D-03 0.30718579D-03 0.35795200D-03 0.31112848D-03 0.36716004D-03 0.31512178D-03 0.37660464D-03 0.31916633D-03 0.38629187D-03 0.32326279D-03 0.39622796D-03 0.32741183D-03 0.40641927D-03 0.33161412D-03 0.41687236D-03 0.33587035D-03 0.42759393D-03 0.34018120D-03 0.43859087D-03 0.34454739D-03 0.44987023D-03 0.34896961D-03 0.46143924D-03 0.35344859D-03 0.47330534D-03 0.35798507D-03 0.48547613D-03 0.36257976D-03 0.49795943D-03 0.36723343D-03 0.51076322D-03 0.37194682D-03 0.52389574D-03 0.37672072D-03 0.53736539D-03 0.38155588D-03 0.55118081D-03 0.38645311D-03 0.56535086D-03 0.39141319D-03 0.57988461D-03 0.39643693D-03 0.59479138D-03 0.40152515D-03 0.61008072D-03 0.40667867D-03 0.62576242D-03 0.41189835D-03 0.64184653D-03 0.41718501D-03 0.65834335D-03 0.42253953D-03 0.67526343D-03 0.42796278D-03 0.69261762D-03 0.43345563D-03 0.71041701D-03 0.43901898D-03 0.72867299D-03 0.44465373D-03 0.74739726D-03 0.45036081D-03 0.76660178D-03 0.45614114D-03 0.78629884D-03 0.46199565D-03 0.80650104D-03 0.46792531D-03 0.82722129D-03 0.47393108D-03 0.84847284D-03 0.48001393D-03 0.87026927D-03 0.48617485D-03 0.89262452D-03 0.49241484D-03 0.91555285D-03 0.49873493D-03 0.93906893D-03 0.50513613D-03 0.96318777D-03 0.51161949D-03 0.98792477D-03 0.51818607D-03 0.10132957D-02 0.52483692D-03 0.10393168D-02 0.53157314D-03 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ET=-4.4642501E+01 EC= 7.2138387E+01 EE= 9.4506929E+00 EX=-4.0596478E+00 EN=-1.2217193E+02 NORB, SHIFT 14 0.000000000000000E+000 1 La NOMBRE D ITERATIONS 1 PRECISIO N SUR LES ENERGIES 5.00E-06 FONCTIONS D ONDE 1.00E-05 POTENTIEL 1.00E-05 L INTEGRATION EST FAITE EN 781 POINTS LE PREMIER EST EGAL A 0.0001/57 ET LE PAS A 0.0129 DANS LE SOUS PROGRAMME RESLD LA PRECISION RELATIVE A OBTENIR SUR L ENERGIE EST 1.00E-07 ET LE NOMBRE D ESSAIS 30 IDEP= 1 ICUT= 1 IPRAT= 0 ORBITALE OCCUPATION ENERGIE DE DEPART 1S 2.00 -8.1225000E+02 2S 2.00 -2.0306250E+02 2P* 2.00 -2.0306250E+02 2P 4.00 -2.0306250E+02 3S 2.00 -9.0250000E+01 3P* 2.00 -9.0250000E+01 3P 4.00 -9.0250000E+01 3D* 4.00 -9.0250000E+01 3D 6.00 -9.0250000E+01 4S 2.00 -5.0765625E+01 4P* 2.00 -5.0765625E+01 4P 4.00 -5.0765625E+01 4D* 4.00 -5.0765625E+01 4D 6.00 -5.0765625E+01 0 LE PROCEDE DE PRATT EST UTILISE 1 La POTENTIEL DE DEPART -.570E+06 -.563E+06 -.555E+06 -.548E+06 -.541E+06 -.534E+06 -.528E+06 -.521E+06 -.514E+06 -.507E+06 -.501E+06 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-.230E+00 -.227E+00 -.224E+00 -.221E+00 -.218E+00 -.215E+00 -.213E+00 -.210E+00 -.207E+00 -.204E+00 1 La ITER DVMAX R VN-1 VN DEMAX DPMAX PN-1 PN eigenwert von 1 Zustand -1422.33779826242 eigenwert von 2 Zustand -225.829870170875 eigenwert von 3 Zustand -212.937026934326 eigenwert von 4 Zustand -197.754349561443 eigenwert von 5 Zustand -47.8322450160480 eigenwert von 6 Zustand -42.3992679028749 eigenwert von 7 Zustand -39.4400222393580 eigenwert von 8 Zustand -29.9291109014345 eigenwert von 9 Zustand -29.2960305868013 eigenwert von 10 Zustand -9.18514435973524 eigenwert von 11 Zustand -7.18673840308642 eigenwert von 12 Zustand -6.55785523125282 eigenwert von 13 Zustand -3.28364286653613 eigenwert von 14 Zustand -3.17458472334320 1 6.22E+00 1.160288E+00 -4.109895E+00 -1.032763E+01 9.37E-01 -1.00E+00 0.000000E+00 1.005673E+00 NOMBRE D ITERATIONS SUPERIEUR A 1 1 La RADII AND CHARGE DENS. ALTERNATELY 0.10000000D-03 0.44047493D-01 0.10129927D-03 0.45087133D-01 0.10261541D-03 0.46151220D-01 0.10394866D-03 0.47240328D-01 0.10529923D-03 0.48355040D-01 0.10666735D-03 0.49495956D-01 0.10805324D-03 0.50663686D-01 0.10945714D-03 0.51858858D-01 0.11087928D-03 0.53082113D-01 0.11231989D-03 0.54334105D-01 0.11377923D-03 0.55615507D-01 0.11525752D-03 0.56927004D-01 0.11675502D-03 0.58269298D-01 0.11827198D-03 0.59643108D-01 0.11980865D-03 0.61049169D-01 0.12136528D-03 0.62488233D-01 0.12294214D-03 0.63961069D-01 0.12453948D-03 0.65468464D-01 0.12615758D-03 0.67011223D-01 0.12779670D-03 0.68590169D-01 0.12945712D-03 0.70206147D-01 0.13113911D-03 0.71860017D-01 0.13284296D-03 0.73552661D-01 0.13456894D-03 0.75284982D-01 0.13631735D-03 0.77057902D-01 0.13808848D-03 0.78872366D-01 0.13988261D-03 0.80729339D-01 0.14170006D-03 0.82629810D-01 0.14354112D-03 0.84574788D-01 0.14540610D-03 0.86565308D-01 0.14729531D-03 0.88602427D-01 0.14920907D-03 0.90687227D-01 0.15114769D-03 0.92820814D-01 0.15311150D-03 0.95004320D-01 0.15510083D-03 0.97238903D-01 0.15711600D-03 0.99525748D-01 0.15915735D-03 0.10186606D+00 0.16122523D-03 0.10426109D+00 0.16331997D-03 0.10671210D+00 0.16544193D-03 0.10922038D+00 0.16759147D-03 0.11178726D+00 0.16976892D-03 0.11441409D+00 0.17197467D-03 0.11710227D+00 0.17420908D-03 0.11985321D+00 0.17647252D-03 0.12266836D+00 0.17876537D-03 0.12554921D+00 0.18108800D-03 0.12849727D+00 0.18344082D-03 0.13151409D+00 0.18582420D-03 0.13460126D+00 0.18823855D-03 0.13776041D+00 0.19068427D-03 0.14099319D+00 0.19316177D-03 0.14430131D+00 0.19567145D-03 0.14768649D+00 0.19821374D-03 0.15115051D+00 0.20078907D-03 0.15469519D+00 0.20339785D-03 0.15832239D+00 0.20604053D-03 0.16203399D+00 0.20871754D-03 0.16583195D+00 0.21142934D-03 0.16971825D+00 0.21417637D-03 0.17369492D+00 0.21695909D-03 0.17776403D+00 0.21977796D-03 0.18192770D+00 0.22263346D-03 0.18618811D+00 0.22552606D-03 0.19054748D+00 0.22845625D-03 0.19500806D+00 0.23142450D-03 0.19957218D+00 0.23443132D-03 0.20424222D+00 0.23747720D-03 0.20902059D+00 0.24056266D-03 0.21390978D+00 0.24368821D-03 0.21891232D+00 0.24685437D-03 0.22403079D+00 0.25006166D-03 0.22926785D+00 0.25331063D-03 0.23462621D+00 0.25660181D-03 0.24010863D+00 0.25993575D-03 0.24571795D+00 0.26331300D-03 0.25145705D+00 0.26673414D-03 0.25732889D+00 0.27019973D-03 0.26333649D+00 0.27371034D-03 0.26948295D+00 0.27726656D-03 0.27577143D+00 0.28086899D-03 0.28220514D+00 0.28451823D-03 0.28878739D+00 0.28821487D-03 0.29552155D+00 0.29195955D-03 0.30241108D+00 0.29575288D-03 0.30945948D+00 0.29959550D-03 0.31667036D+00 0.30348804D-03 0.32404741D+00 0.30743116D-03 0.33159438D+00 0.31142550D-03 0.33931511D+00 0.31547175D-03 0.34721354D+00 0.31957056D-03 0.35529367D+00 0.32372264D-03 0.36355962D+00 0.32792865D-03 0.37201556D+00 0.33218932D-03 0.38066578D+00 0.33650534D-03 0.38951466D+00 0.34087744D-03 0.39856667D+00 0.34530634D-03 0.40782638D+00 0.34979279D-03 0.41729846D+00 0.35433753D-03 0.42698767D+00 0.35894131D-03 0.43689889D+00 0.36360491D-03 0.44703710D+00 0.36832911D-03 0.45740738D+00 0.37311468D-03 0.46801493D+00 0.37796243D-03 0.47886506D+00 0.38287317D-03 0.48996318D+00 0.38784771D-03 0.50131484D+00 0.39288688D-03 0.51292570D+00 0.39799153D-03 0.52480154D+00 0.40316249D-03 0.53694824D+00 0.40840065D-03 0.54937186D+00 0.41370686D-03 0.56207854D+00 0.41908201D-03 0.57507457D+00 0.42452700D-03 0.58836637D+00 0.43004273D-03 0.60196051D+00 0.43563013D-03 0.61586368D+00 0.44129012D-03 0.63008272D+00 0.44702365D-03 0.64462462D+00 0.45283168D-03 0.65949651D+00 0.45871516D-03 0.67470566D+00 0.46467509D-03 0.69025952D+00 0.47071246D-03 0.70616568D+00 0.47682826D-03 0.72243188D+00 0.48302353D-03 0.73906604D+00 0.48929929D-03 0.75607624D+00 0.49565659D-03 0.77347071D+00 0.50209648D-03 0.79125789D+00 0.50862005D-03 0.80944636D+00 0.51522838D-03 0.82804489D+00 0.52192256D-03 0.84706243D+00 0.52870372D-03 0.86650811D+00 0.53557299D-03 0.88639126D+00 0.54253151D-03 0.90672140D+00 0.54958043D-03 0.92750823D+00 0.55672094D-03 0.94876167D+00 0.56395423D-03 0.97049181D+00 0.57128149D-03 0.99270899D+00 0.57870396D-03 0.10154237D+01 0.58622286D-03 0.10386467D+01 0.59383945D-03 0.10623890D+01 0.60155500D-03 0.10866617D+01 0.60937080D-03 0.11114762D+01 0.61728815D-03 0.11368441D+01 0.62530836D-03 0.11627774D+01 0.63343278D-03 0.11892881D+01 0.64166275D-03 0.12163885D+01 0.64999966D-03 0.12440913D+01 0.65844488D-03 0.12724092D+01 0.66699983D-03 0.13013554D+01 0.67566593D-03 0.13309431D+01 0.68444463D-03 0.13611860D+01 0.69333738D-03 0.13920980D+01 0.70234568D-03 0.14236932D+01 0.71147101D-03 0.14559860D+01 0.72071491D-03 0.14889912D+01 0.73007891D-03 0.15227235D+01 0.73956458D-03 0.15571985D+01 0.74917349D-03 0.15924315D+01 0.75890724D-03 0.16284384D+01 0.76876747D-03 0.16652355D+01 0.77875580D-03 0.17028391D+01 0.78887390D-03 0.17412660D+01 0.79912347D-03 0.17805334D+01 0.80950621D-03 0.18206585D+01 0.82002385D-03 0.18616592D+01 0.83067814D-03 0.19035535D+01 0.84147085D-03 0.19463598D+01 0.85240380D-03 0.19900969D+01 0.86347879D-03 0.20347837D+01 0.87469767D-03 0.20804397D+01 0.88606232D-03 0.21270848D+01 0.89757462D-03 0.21747389D+01 0.90923650D-03 0.22234227D+01 0.92104990D-03 0.22731570D+01 0.93301679D-03 0.23239630D+01 0.94513915D-03 0.23758624D+01 0.95741902D-03 0.24288770D+01 0.96985844D-03 0.24830294D+01 0.98245948D-03 0.25383423D+01 0.99522424D-03 0.25948388D+01 0.10081548D-02 0.26525424D+01 0.10212535D-02 0.27114773D+01 0.10345223D-02 0.27716677D+01 0.10479634D-02 0.28331385D+01 0.10615793D-02 0.28959148D+01 0.10753720D-02 0.29600222D+01 0.10893440D-02 0.30254869D+01 0.11034974D-02 0.30923353D+01 0.11178348D-02 0.31605944D+01 0.11323584D-02 0.32302915D+01 0.11470708D-02 0.33014543D+01 0.11619743D-02 0.33741112D+01 0.11770714D-02 0.34482908D+01 0.11923647D-02 0.35240223D+01 0.12078567D-02 0.36013353D+01 0.12235499D-02 0.36802599D+01 0.12394471D-02 0.37608266D+01 0.12555508D-02 0.38430663D+01 0.12718638D-02 0.39270105D+01 0.12883887D-02 0.40126913D+01 0.13051283D-02 0.41001409D+01 0.13220853D-02 0.41893923D+01 0.13392627D-02 0.42804788D+01 0.13566633D-02 0.43734342D+01 0.13742900D-02 0.44682930D+01 0.13921457D-02 0.45650898D+01 0.14102333D-02 0.46638600D+01 0.14285560D-02 0.47646393D+01 0.14471167D-02 0.48674640D+01 0.14659186D-02 0.49723709D+01 0.14849648D-02 0.50793971D+01 0.15042585D-02 0.51885803D+01 0.15238028D-02 0.52999588D+01 0.15436010D-02 0.54135713D+01 0.15636565D-02 0.55294567D+01 0.15839726D-02 0.56476549D+01 0.16045526D-02 0.57682059D+01 0.16254000D-02 0.58911503D+01 0.16465182D-02 0.60165291D+01 0.16679109D-02 0.61443838D+01 0.16895815D-02 0.62747564D+01 0.17115336D-02 0.64076894D+01 0.17337710D-02 0.65432256D+01 0.17562973D-02 0.66814084D+01 0.17791163D-02 0.68222815D+01 0.18022317D-02 0.69658891D+01 0.18256475D-02 0.71122759D+01 0.18493675D-02 0.72614868D+01 0.18733957D-02 0.74135674D+01 0.18977361D-02 0.75685634D+01 0.19223927D-02 0.77265212D+01 0.19473697D-02 0.78874873D+01 0.19726712D-02 0.80515087D+01 0.19983015D-02 0.82186326D+01 0.20242647D-02 0.83889069D+01 0.20505653D-02 0.85623795D+01 0.20772076D-02 0.87390985D+01 0.21041960D-02 0.89191128D+01 0.21315351D-02 0.91024711D+01 0.21592294D-02 0.92892225D+01 0.21872836D-02 0.94794164D+01 0.22157022D-02 0.96731024D+01 0.22444900D-02 0.98703303D+01 0.22736519D-02 0.10071150D+02 0.23031927D-02 0.10275612D+02 0.23331173D-02 0.10483765D+02 0.23634307D-02 0.10695662D+02 0.23941379D-02 0.10911351D+02 0.24252442D-02 0.11130884D+02 0.24567545D-02 0.11354310D+02 0.24886743D-02 0.11581681D+02 0.25210088D-02 0.11813047D+02 0.25537634D-02 0.12048458D+02 0.25869436D-02 0.12287965D+02 0.26205548D-02 0.12531617D+02 0.26546028D-02 0.12779465D+02 0.26890932D-02 0.13031558D+02 0.27240316D-02 0.13287945D+02 0.27594240D-02 0.13548677D+02 0.27952763D-02 0.13813801D+02 0.28315943D-02 0.14083366D+02 0.28683843D-02 0.14357420D+02 0.29056522D-02 0.14636011D+02 0.29434044D-02 0.14919185D+02 0.29816470D-02 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0.20035999D-02 0.27554185D+01 0.16697696D-02 0.27912187D+01 0.13886497D-02 0.28274841D+01 0.11524158D-02 0.28642206D+01 0.95432602D-03 0.29014344D+01 0.78858286D-03 0.29391318D+01 0.65021132D-03 0.29773189D+01 0.53495111D-03 0.30160022D+01 0.43916177D-03 0.30551881D+01 0.35973930D-03 0.30948831D+01 0.29404298D-03 0.31350939D+01 0.23983131D-03 0.31758271D+01 0.19520609D-03 0.32170895D+01 0.15856362D-03 0.32588880D+01 0.12855226D-03 0.33012296D+01 0.10403564D-03 0.33441214D+01 0.84060797D-04 0.33875704D+01 0.67830523D-04 0.34315840D+01 0.54680267D-04 0.34761694D+01 0.44055158D-04 0.35213340D+01 0.35502301D-04 0.35670855D+01 0.28622469D-04 0.36134314D+01 0.23179953D-04 0.36603795D+01 0.18681087D-04 0.37079376D+01 0.15413697D-04 0.37561135D+01 0.12269848D-04 0.38049154D+01 0.95839904D-05 0.38543514D+01 0.74622316D-05 0.39044297D+01 0.57914546D-05 0.39551586D+01 0.44800655D-05 ENERGIE (R4) (R2) (R) (R-1) (R-3) 4 1 > COR 0.7618771E+00 0.0000000E+00 0.0000000E+00 -0.7618771E+00 1S -1.4223378E+03 1.9177071E-06 8.5361542E-04 2.5065823E-02 6.2026899E+01 2S -2.2582987E+02 3.1769434E-04 1.3559454E-02 1.0697579E-01 1.4591351E+01 2P* -2.1293703E+02 2.0050359E-04 9.9599988E-03 8.9906583E-02 1.4572097E+01 2P -1.9775435E+02 2.4801902E-04 1.1226331E-02 9.6006744E-02 1.3248633E+01 6.6817511E+03 3S -4.7832245E+01 1.3077871E-02 9.2828391E-02 2.8481979E-01 5.2542480E+00 3P* -4.2399268E+01 1.2231913E-02 8.7684767E-02 2.7467008E-01 5.1660843E+00 3P -3.9440022E+01 1.4374208E-02 9.5315558E-02 2.8669960E-01 4.8372907E+00 1.3360893E+03 3D* -2.9929111E+01 1.1135715E-02 7.8451528E-02 2.5772814E-01 4.6999512E+00 2.1801151E+02 3D -2.9296031E+01 1.1709895E-02 8.0625019E-02 2.6150489E-01 4.6162346E+00 1.9896766E+02 4S -9.1851444E+00 3.3973678E-01 4.8314979E-01 6.5433399E-01 2.1704813E+00 4P* -7.1867384E+00 4.0167948E-01 5.1798771E-01 6.7486314E-01 2.0663601E+00 4P -6.5578552E+00 4.6948719E-01 5.5999965E-01 7.0184371E-01 1.9593990E+00 2.8491868E+02 4D* -3.2836429E+00 7.4427947E-01 6.7512453E-01 7.6280227E-01 1.7396400E+00 3.8311750E+01 4D -3.1745847E+00 7.8294031E-01 6.9225276E-01 7.7247536E-01 1.7132262E+00 3.4654895E+01 0 ET=-8.1387509E+03 EC= 9.3546743E+03 EE= 2.9627879E+03 EX=-1.8641039E+02 EN=-2.0269803E+04 1 La 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