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-24.9282071590337 eigenwert von 5 Zustand -2.86986116690163 1 1.43E+01 6.174011E-01 -9.951300E+00 -2.429112E+01 8.47E-01 -1.00E+00 0.000000E+00 1.003250E+00 NOMBRE D ITERATIONS SUPERIEUR A 1 1 Fe RADII AND CHARGE DENS. 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0.42033307D-02 0.15322041D-03 0.43109749D-02 0.15521450D-03 0.44213698D-02 0.15723453D-03 0.45345854D-02 0.15928086D-03 0.46506937D-02 0.16135382D-03 0.47697682D-02 0.16345376D-03 0.48918845D-02 0.16558102D-03 0.50171200D-02 0.16773598D-03 0.51455541D-02 0.16991897D-03 0.52772682D-02 0.17213038D-03 0.54123458D-02 0.17437057D-03 0.55508724D-02 0.17663991D-03 0.56929358D-02 0.17893879D-03 0.58386259D-02 0.18126759D-03 0.59880351D-02 0.18362669D-03 0.61412577D-02 0.18601650D-03 0.62983909D-02 0.18843741D-03 0.64595340D-02 0.19088982D-03 0.66247889D-02 0.19337415D-03 0.67942602D-02 0.19589082D-03 0.69680549D-02 0.19844024D-03 0.71462830D-02 0.20102284D-03 0.73290570D-02 0.20363904D-03 0.75164923D-02 0.20628930D-03 0.77087074D-02 0.20897405D-03 0.79058237D-02 0.21169374D-03 0.81079654D-02 0.21444882D-03 0.83152602D-02 0.21723977D-03 0.85278388D-02 0.22006703D-03 0.87458353D-02 0.22293109D-03 0.89693872D-02 0.22583242D-03 0.91986353D-02 0.22877151D-03 0.94337241D-02 0.23174886D-03 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0.22218601D-01 0.35970783D-03 0.22784440D-01 0.36438924D-03 0.23364616D-01 0.36913158D-03 0.23959489D-01 0.37393564D-03 0.24569429D-01 0.37880222D-03 0.25194814D-01 0.38373213D-03 0.25836033D-01 0.38872621D-03 0.26493482D-01 0.39378528D-03 0.27167569D-01 0.39891019D-03 0.27858712D-01 0.40410180D-03 0.28567339D-01 0.40936098D-03 0.29293887D-01 0.41468860D-03 0.30038807D-01 0.42008556D-03 0.30802558D-01 0.42555276D-03 0.31585613D-01 0.43109111D-03 0.32388454D-01 0.43670154D-03 0.33211577D-01 0.44238498D-03 0.34055490D-01 0.44814239D-03 0.34920712D-01 0.45397474D-03 0.35807777D-01 0.45988299D-03 0.36717230D-01 0.46586813D-03 0.37649632D-01 0.47193116D-03 0.38605554D-01 0.47807310D-03 0.39585584D-01 0.48429498D-03 0.40590324D-01 0.49059783D-03 0.41620391D-01 0.49698270D-03 0.42676416D-01 0.50345068D-03 0.43759046D-01 0.51000283D-03 0.44868944D-01 0.51664025D-03 0.46006790D-01 0.52336406D-03 0.47173278D-01 0.53017537D-03 0.48369122D-01 0.53707533D-03 0.49595052D-01 0.54406509D-03 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-.235E+00 -.232E+00 -.229E+00 -.226E+00 -.223E+00 -.221E+00 -.218E+00 -.215E+00 -.212E+00 -.210E+00 -.207E+00 -.204E+00 -.202E+00 -.199E+00 -.197E+00 -.194E+00 -.192E+00 -.189E+00 -.187E+00 -.184E+00 -.182E+00 -.180E+00 -.177E+00 -.175E+00 -.173E+00 -.171E+00 -.169E+00 -.166E+00 -.164E+00 -.162E+00 -.160E+00 -.158E+00 -.156E+00 1 As ITER DVMAX R VN-1 VN DEMAX DPMAX PN-1 PN eigenwert von 1 Zustand -430.045070625940 eigenwert von 2 Zustand -54.1102189788413 eigenwert von 3 Zustand -48.2886300816610 eigenwert von 4 Zustand -46.9449703660707 eigenwert von 5 Zustand -6.48831584943209 eigenwert von 6 Zustand -4.53277860568917 eigenwert von 7 Zustand -4.34824418833487 1 1.41E+01 8.274437E-01 -5.259153E+00 -1.931205E+01 8.56E-01 -1.00E+00 0.000000E+00 1.014350E+00 NOMBRE D ITERATIONS SUPERIEUR A 1 1 As RADII AND CHARGE DENS. 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0.96916710D-02 0.15244871D-03 0.99337680D-02 0.15440912D-03 0.10181896D-01 0.15639475D-03 0.10436203D-01 0.15840590D-03 0.10696844D-01 0.16044293D-03 0.10963976D-01 0.16250614D-03 0.11237758D-01 0.16459589D-03 0.11518357D-01 0.16671251D-03 0.11805941D-01 0.16885635D-03 0.12100683D-01 0.17102775D-03 0.12402761D-01 0.17322709D-03 0.12712356D-01 0.17545470D-03 0.13029654D-01 0.17771096D-03 0.13354846D-01 0.17999623D-03 0.13688128D-01 0.18231089D-03 0.14029699D-01 0.18465532D-03 0.14379765D-01 0.18702989D-03 0.14738537D-01 0.18943500D-03 0.15106229D-01 0.19187104D-03 0.15483061D-01 0.19433841D-03 0.15869261D-01 0.19683750D-03 0.16265060D-01 0.19936873D-03 0.16670694D-01 0.20193251D-03 0.17086407D-01 0.20452927D-03 0.17512449D-01 0.20715941D-03 0.17949073D-01 0.20982337D-03 0.18396542D-01 0.21252160D-03 0.18855123D-01 0.21525452D-03 0.19325091D-01 0.21802258D-03 0.19806726D-01 0.22082624D-03 0.20300317D-01 0.22366596D-03 0.20806158D-01 0.22654219D-03 0.21324552D-01 0.22945541D-03 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-.772E-01 -.732E-01 -.698E-01 -.671E-01 -.650E-01 -.634E-01 -.626E-01 -.618E-01 -.610E-01 -.603E-01 -.595E-01 -.587E-01 -.580E-01 -.573E-01 -.565E-01 -.558E-01 -.551E-01 -.544E-01 -.537E-01 -.530E-01 -.524E-01 -.517E-01 -.511E-01 -.504E-01 -.498E-01 -.491E-01 -.485E-01 -.479E-01 -.473E-01 -.467E-01 -.461E-01 -.455E-01 -.449E-01 -.444E-01 -.438E-01 -.433E-01 -.427E-01 -.422E-01 -.416E-01 -.411E-01 -.406E-01 -.401E-01 -.396E-01 -.391E-01 -.386E-01 -.381E-01 1 O ITER DVMAX R VN-1 VN DEMAX DPMAX PN-1 PN eigenwert von 1 Zustand -18.2828180042559 1 7.06E+00 1.876470E-01 -2.891804E+01 -3.597806E+01 1.43E-01 -1.00E+00 0.000000E+00 1.008714E+00 NOMBRE D ITERATIONS SUPERIEUR A 1 1 O RADII AND CHARGE DENS. ALTERNATELY 0.10000000D-03 0.38208029D-04 0.10128349D-03 0.39192581D-04 0.10258345D-03 0.40202493D-04 0.10390010D-03 0.41238416D-04 0.10523364D-03 0.42301021D-04 0.10658430D-03 0.43390994D-04 0.10795230D-03 0.44509040D-04 0.10933785D-03 0.45655881D-04 0.11074119D-03 0.46832258D-04 0.11216254D-03 0.48038932D-04 0.11360213D-03 0.49276682D-04 0.11506020D-03 0.50546309D-04 0.11653699D-03 0.51848632D-04 0.11803273D-03 0.53184492D-04 0.11954766D-03 0.54554753D-04 0.12108204D-03 0.55960301D-04 0.12263612D-03 0.57402042D-04 0.12421014D-03 0.58880909D-04 0.12580436D-03 0.60397857D-04 0.12741904D-03 0.61953865D-04 0.12905445D-03 0.63549939D-04 0.13071085D-03 0.65187108D-04 0.13238851D-03 0.66866432D-04 0.13408770D-03 0.68588993D-04 0.13580870D-03 0.70355905D-04 0.13755178D-03 0.72168308D-04 0.13931724D-03 0.74027373D-04 0.14110536D-03 0.75934300D-04 0.14291644D-03 0.77890320D-04 0.14475075D-03 0.79896695D-04 0.14660861D-03 0.81954722D-04 0.14849031D-03 0.84065728D-04 0.15039617D-03 0.86231076D-04 0.15232648D-03 0.88452163D-04 0.15428158D-03 0.90730424D-04 0.15626176D-03 0.93067329D-04 0.15826736D-03 0.95464384D-04 0.16029871D-03 0.97923138D-04 0.16235612D-03 0.10044518D-03 0.16443994D-03 0.10303213D-03 0.16655051D-03 0.10568566D-03 0.16868816D-03 0.10840748D-03 0.17085326D-03 0.11119936D-03 0.17304614D-03 0.11406308D-03 0.17526716D-03 0.11700050D-03 0.17751670D-03 0.12001351D-03 0.17979510D-03 0.12310405D-03 0.18210275D-03 0.12627413D-03 0.18444002D-03 0.12952577D-03 0.18680728D-03 0.13286108D-03 0.18920493D-03 0.13628221D-03 0.19163336D-03 0.13979136D-03 0.19409295D-03 0.14339080D-03 0.19658411D-03 0.14708285D-03 0.19910724D-03 0.15086988D-03 0.20166276D-03 0.15475433D-03 0.20425107D-03 0.15873872D-03 0.20687261D-03 0.16282561D-03 0.20952780D-03 0.16701762D-03 0.21221706D-03 0.17131747D-03 0.21494084D-03 0.17572791D-03 0.21769958D-03 0.18025180D-03 0.22049373D-03 0.18489205D-03 0.22332374D-03 0.18965164D-03 0.22619007D-03 0.19453365D-03 0.22909320D-03 0.19954120D-03 0.23203358D-03 0.20467754D-03 0.23501170D-03 0.20994596D-03 0.23802805D-03 0.21534986D-03 0.24108311D-03 0.22089272D-03 0.24417738D-03 0.22657810D-03 0.24731137D-03 0.23240966D-03 0.25048558D-03 0.23839116D-03 0.25370054D-03 0.24452644D-03 0.25695675D-03 0.25081946D-03 0.26025476D-03 0.25727426D-03 0.26359510D-03 0.26389499D-03 0.26697831D-03 0.27068592D-03 0.27040494D-03 0.27765140D-03 0.27387556D-03 0.28479593D-03 0.27739072D-03 0.29212409D-03 0.28095100D-03 0.29964060D-03 0.28455697D-03 0.30735028D-03 0.28820922D-03 0.31525810D-03 0.29190835D-03 0.32336914D-03 0.29565496D-03 0.33168860D-03 0.29944966D-03 0.34022185D-03 0.30329306D-03 0.34897435D-03 0.30718579D-03 0.35795173D-03 0.31112848D-03 0.36715976D-03 0.31512178D-03 0.37660436D-03 0.31916633D-03 0.38629159D-03 0.32326279D-03 0.39622767D-03 0.32741183D-03 0.40641897D-03 0.33161412D-03 0.41687205D-03 0.33587035D-03 0.42759362D-03 0.34018120D-03 0.43859054D-03 0.34454739D-03 0.44986989D-03 0.34896961D-03 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ET=-4.4663108E+01 EC= 7.2117726E+01 EE= 9.4506867E+00 EX=-4.0596453E+00 EN=-1.2217188E+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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-.236E+00 -.233E+00 -.230E+00 -.227E+00 -.224E+00 -.221E+00 -.219E+00 -.216E+00 -.213E+00 -.210E+00 1 La ITER DVMAX R VN-1 VN DEMAX DPMAX PN-1 PN eigenwert von 1 Zustand -1422.34817494741 eigenwert von 2 Zustand -225.840305516850 eigenwert von 3 Zustand -212.947452676112 eigenwert von 4 Zustand -197.764778835458 eigenwert von 5 Zustand -47.8427264952385 eigenwert von 6 Zustand -42.4097471094730 eigenwert von 7 Zustand -39.4505029762651 eigenwert von 8 Zustand -29.9395882280972 eigenwert von 9 Zustand -29.3065085346241 eigenwert von 10 Zustand -9.19559990906982 eigenwert von 11 Zustand -7.19718846288047 eigenwert von 12 Zustand -6.56829921441236 eigenwert von 13 Zustand -3.29407109107868 eigenwert von 14 Zustand -3.18501060792579 1 6.21E+00 1.160288E+00 -4.120232E+00 -1.032761E+01 9.37E-01 -1.00E+00 0.000000E+00 1.005671E+00 NOMBRE D ITERATIONS SUPERIEUR A 1 1 La RADII AND CHARGE DENS. ALTERNATELY 0.10000000D-03 0.44047494D-01 0.10129927D-03 0.45087134D-01 0.10261541D-03 0.46151222D-01 0.10394866D-03 0.47240329D-01 0.10529923D-03 0.48355041D-01 0.10666735D-03 0.49495957D-01 0.10805324D-03 0.50663687D-01 0.10945714D-03 0.51858859D-01 0.11087928D-03 0.53082114D-01 0.11231989D-03 0.54334106D-01 0.11377923D-03 0.55615508D-01 0.11525752D-03 0.56927005D-01 0.11675502D-03 0.58269299D-01 0.11827198D-03 0.59643109D-01 0.11980865D-03 0.61049170D-01 0.12136528D-03 0.62488234D-01 0.12294214D-03 0.63961070D-01 0.12453948D-03 0.65468465D-01 0.12615758D-03 0.67011224D-01 0.12779670D-03 0.68590171D-01 0.12945712D-03 0.70206148D-01 0.13113911D-03 0.71860018D-01 0.13284296D-03 0.73552662D-01 0.13456894D-03 0.75284983D-01 0.13631735D-03 0.77057903D-01 0.13808848D-03 0.78872367D-01 0.13988261D-03 0.80729340D-01 0.14170006D-03 0.82629811D-01 0.14354112D-03 0.84574789D-01 0.14540610D-03 0.86565309D-01 0.14729531D-03 0.88602428D-01 0.14920907D-03 0.90687228D-01 0.15114769D-03 0.92820815D-01 0.15311150D-03 0.95004322D-01 0.15510083D-03 0.97238905D-01 0.15711600D-03 0.99525749D-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 0.16583196D+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 0.19957219D+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 0.22926786D+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 0.26333650D+00 0.27371034D-03 0.26948296D+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 0.35529368D+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 0.53694825D+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 0.37608265D+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 0.85623794D+01 0.20772076D-02 0.87390985D+01 0.21041960D-02 0.89191128D+01 0.21315351D-02 0.91024710D+01 0.21592294D-02 0.92892225D+01 0.21872836D-02 0.94794164D+01 0.22157022D-02 0.96731024D+01 0.22444900D-02 0.98703302D+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 0.13031557D+02 0.27240316D-02 0.13287945D+02 0.27594240D-02 0.13548676D+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 0.15206989D+02 0.30203865D-02 0.15499469D+02 0.30596294D-02 0.15796670D+02 0.30993821D-02 0.16098635D+02 0.31396513D-02 0.16405409D+02 0.31804437D-02 0.16717034D+02 0.32217661D-02 0.17033552D+02 0.32636254D-02 0.17355003D+02 0.33060286D-02 0.17681428D+02 0.33489827D-02 0.18012864D+02 0.33924949D-02 0.18349349D+02 0.34365724D-02 0.18690919D+02 0.34812226D-02 0.19037608D+02 0.35264529D-02 0.19389451D+02 0.35722709D-02 0.19746478D+02 0.36186842D-02 0.20108720D+02 0.36657006D-02 0.20476205D+02 0.37133278D-02 0.20848961D+02 0.37615737D-02 0.21227012D+02 0.38104466D-02 0.21610381D+02 0.38599544D-02 0.21999089D+02 0.39101055D-02 0.22393155D+02 0.39609081D-02 0.22792596D+02 0.40123709D-02 0.23197427D+02 0.40645022D-02 0.23607659D+02 0.41173109D-02 0.24023303D+02 0.41708057D-02 0.24444364D+02 0.42249956D-02 0.24870848D+02 0.42798895D-02 0.25302757D+02 0.43354966D-02 0.25740088D+02 0.43918262D-02 0.26182837D+02 0.44488877D-02 0.26630998D+02 0.45066906D-02 0.27084558D+02 0.45652445D-02 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0.20013111D-02 0.27554185D+01 0.16677365D-02 0.27912187D+01 0.13868489D-02 0.28274841D+01 0.11508252D-02 0.28642206D+01 0.95292513D-03 0.29014344D+01 0.78735253D-03 0.29391318D+01 0.64913384D-03 0.29773189D+01 0.53401011D-03 0.30160022D+01 0.43834220D-03 0.30551881D+01 0.35902737D-03 0.30948831D+01 0.29342610D-03 0.31350939D+01 0.23929808D-03 0.31758271D+01 0.19474619D-03 0.32170895D+01 0.15816774D-03 0.32588880D+01 0.12821208D-03 0.33012296D+01 0.10374372D-03 0.33441214D+01 0.83810536D-04 0.33875704D+01 0.67616059D-04 0.34315840D+01 0.54496436D-04 0.34761694D+01 0.43897449D-04 0.35213340D+01 0.35366640D-04 0.35670855D+01 0.28505566D-04 0.36134314D+01 0.23078535D-04 0.36603795D+01 0.18593028D-04 0.37079376D+01 0.15335455D-04 0.37561135D+01 0.12202644D-04 0.38049154D+01 0.95276601D-05 0.38543514D+01 0.74153466D-05 0.39044297D+01 0.57526894D-05 0.39551586D+01 0.44482157D-05 ENERGIE (R4) (R2) (R) (R-1) (R-3) 4 1 > COR 0.7993364E+00 0.0000000E+00 0.0000000E+00 -0.7993364E+00 1S -1.4223482E+03 1.9177072E-06 8.5361544E-04 2.5065823E-02 6.2026899E+01 2S -2.2584031E+02 3.1769445E-04 1.3559456E-02 1.0697580E-01 1.4591350E+01 2P* -2.1294745E+02 2.0050367E-04 9.9600008E-03 8.9906592E-02 1.4572096E+01 2P -1.9776478E+02 2.4801913E-04 1.1226334E-02 9.6006754E-02 1.3248632E+01 6.6817497E+03 3S -4.7842726E+01 1.3077877E-02 9.2828416E-02 2.8481983E-01 5.2542471E+00 3P* -4.2409747E+01 1.2231921E-02 8.7684798E-02 2.7467013E-01 5.1660831E+00 3P -3.9450503E+01 1.4374216E-02 9.5315590E-02 2.8669965E-01 4.8372897E+00 1.3360887E+03 3D* -2.9939588E+01 1.1135725E-02 7.8451570E-02 2.5772821E-01 4.6999498E+00 2.1801133E+02 3D -2.9306509E+01 1.1709904E-02 8.0625061E-02 2.6150496E-01 4.6162333E+00 1.9896750E+02 4S -9.1955999E+00 3.3973173E-01 4.8314681E-01 6.5433210E-01 2.1704884E+00 4P* -7.1971885E+00 4.0167104E-01 5.1798331E-01 6.7486047E-01 2.0663688E+00 4P -6.5682992E+00 4.6947570E-01 5.5999413E-01 7.0184049E-01 1.9594085E+00 2.8492166E+02 4D* -3.2940711E+00 7.4422612E-01 6.7510756E-01 7.6279390E-01 1.7396568E+00 3.8312538E+01 4D -3.1850106E+00 7.8287965E-01 6.9223425E-01 7.7246638E-01 1.7132436E+00 3.4655644E+01 0 ET=-8.1392381E+03 EC= 9.3541928E+03 EE= 2.9627945E+03 EX=-1.8641064E+02 EN=-2.0269815E+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