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Zustand -12.9720996635211 eigenwert von 20 Zustand -3.29859903340385 eigenwert von 21 Zustand -3.00091417249744 1 7.94E+00 1.270018E+00 -3.857441E+00 -1.180179E+01 1.01E+00 -1.00E+00 0.000000E+00 1.019015E+00 NOMBRE D ITERATIONS SUPERIEUR A 1 1 U RADII AND CHARGE DENS. 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-7.9447765E+02 2.6528120E-05 3.8518539E-03 5.6485687E-02 3.1089940E+01 2P* -7.6584260E+02 1.5198352E-05 2.6561578E-03 4.5759026E-02 3.0965318E+01 2P -6.2509957E+02 2.8719040E-05 3.8219593E-03 5.5994956E-02 2.2786732E+01 3.5328653E+04 3S -2.0017594E+02 9.4408695E-04 2.4923606E-02 1.4709767E-01 1.1303003E+01 3P* -1.8721133E+02 8.0180273E-04 2.2404831E-02 1.3822955E-01 1.1191274E+01 3P -1.5478095E+02 1.2748482E-03 2.8533917E-02 1.5664846E-01 9.0299116E+00 8.7622571E+03 3D* -1.3434720E+02 8.0720465E-04 2.1412253E-02 1.3507633E-01 8.9331559E+00 1.5590177E+03 3D -1.2777234E+02 9.2176612E-04 2.3041724E-02 1.4051078E-01 8.4976017E+00 1.1997897E+03 4S -5.0640037E+01 1.9181490E-02 1.1565477E-01 3.1987544E-01 4.8413409E+00 4P* -4.4808324E+01 1.9563897E-02 1.1545041E-01 3.1830604E-01 4.7255871E+00 4P -3.6353465E+01 2.9837401E-02 1.4302253E-01 3.5482484E-01 3.9827513E+00 2.3103721E+03 4D* -2.7094470E+01 3.1360970E-02 1.4251719E-01 3.5163995E-01 3.8024463E+00 3.8542706E+02 4D -2.5540599E+01 3.5245815E-02 1.5129388E-01 3.6258842E-01 3.6496064E+00 2.8868403E+02 5S -1.0861753E+01 3.4762092E-01 4.9793313E-01 6.6737601E-01 2.1458064E+00 5P* -8.6018394E+00 4.1872482E-01 5.4166385E-01 6.9454072E-01 2.0324912E+00 5P -6.6007139E+00 6.4318750E-01 6.7093902E-01 7.7323982E-01 1.7585369E+00 5.4503302E+02 4F* -1.3376901E+01 3.7748141E-02 1.4523317E-01 3.5203682E-01 3.3823054E+00 7.1160293E+01 4F -1.2972100E+01 3.9955198E-02 1.4959315E-01 3.5745783E-01 3.3248560E+00 6.6600028E+01 5D* -3.2985990E+00 1.0961741E+00 8.5182471E-01 8.6611032E-01 1.5370985E+00 7.5149785E+01 5D -3.0009142E+00 1.2472176E+00 9.0756344E-01 8.9395389E-01 1.4802910E+00 5.5539819E+01 0 ET=-2.7283920E+04 EC= 3.5075256E+04 EE= 9.7222847E+03 EX=-4.4573628E+02 EN=-7.1635725E+04 1 U 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 -0.0000001 4D* 3D* 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PN-1 PN eigenwert von 1 Zustand -18.1999240152602 1 7.14E+00 1.876470E-01 -2.883481E+01 -3.597807E+01 1.37E-01 -1.00E+00 0.000000E+00 1.008712E+00 NOMBRE D ITERATIONS SUPERIEUR A 1 1 O RADII AND CHARGE DENS. ALTERNATELY 0.10000000D-03 0.38208392D-04 0.10128349D-03 0.39192953D-04 0.10258345D-03 0.40202874D-04 0.10390010D-03 0.41238808D-04 0.10523364D-03 0.42301422D-04 0.10658430D-03 0.43391406D-04 0.10795230D-03 0.44509462D-04 0.10933785D-03 0.45656314D-04 0.11074119D-03 0.46832703D-04 0.11216254D-03 0.48039388D-04 0.11360213D-03 0.49277150D-04 0.11506020D-03 0.50546789D-04 0.11653699D-03 0.51849124D-04 0.11803273D-03 0.53184997D-04 0.11954766D-03 0.54555271D-04 0.12108204D-03 0.55960832D-04 0.12263612D-03 0.57402587D-04 0.12421014D-03 0.58881468D-04 0.12580436D-03 0.60398430D-04 0.12741904D-03 0.61954453D-04 0.12905445D-03 0.63550542D-04 0.13071085D-03 0.65187727D-04 0.13238851D-03 0.66867067D-04 0.13408770D-03 0.68589644D-04 0.13580870D-03 0.70356573D-04 0.13755178D-03 0.72168993D-04 0.13931724D-03 0.74028076D-04 0.14110536D-03 0.75935021D-04 0.14291644D-03 0.77891059D-04 0.14475075D-03 0.79897454D-04 0.14660861D-03 0.81955500D-04 0.14849031D-03 0.84066526D-04 0.15039617D-03 0.86231894D-04 0.15232648D-03 0.88453003D-04 0.15428158D-03 0.90731286D-04 0.15626176D-03 0.93068212D-04 0.15826736D-03 0.95465291D-04 0.16029871D-03 0.97924068D-04 0.16235612D-03 0.10044613D-03 0.16443994D-03 0.10303311D-03 0.16655051D-03 0.10568666D-03 0.16868816D-03 0.10840851D-03 0.17085326D-03 0.11120041D-03 0.17304614D-03 0.11406416D-03 0.17526716D-03 0.11700161D-03 0.17751670D-03 0.12001465D-03 0.17979510D-03 0.12310522D-03 0.18210275D-03 0.12627533D-03 0.18444002D-03 0.12952700D-03 0.18680728D-03 0.13286234D-03 0.18920493D-03 0.13628350D-03 0.19163336D-03 0.13979269D-03 0.19409295D-03 0.14339216D-03 0.19658411D-03 0.14708424D-03 0.19910724D-03 0.15087131D-03 0.20166276D-03 0.15475580D-03 0.20425107D-03 0.15874023D-03 0.20687261D-03 0.16282715D-03 0.20952780D-03 0.16701920D-03 0.21221706D-03 0.17131909D-03 0.21494084D-03 0.17572958D-03 0.21769958D-03 0.18025351D-03 0.22049373D-03 0.18489381D-03 0.22332374D-03 0.18965344D-03 0.22619007D-03 0.19453549D-03 0.22909320D-03 0.19954310D-03 0.23203358D-03 0.20467948D-03 0.23501170D-03 0.20994795D-03 0.23802805D-03 0.21535190D-03 0.24108311D-03 0.22089481D-03 0.24417738D-03 0.22658025D-03 0.24731137D-03 0.23241186D-03 0.25048558D-03 0.23839342D-03 0.25370054D-03 0.24452876D-03 0.25695675D-03 0.25082184D-03 0.26025476D-03 0.25727670D-03 0.26359510D-03 0.26389750D-03 0.26697831D-03 0.27068849D-03 0.27040494D-03 0.27765404D-03 0.27387556D-03 0.28479863D-03 0.27739072D-03 0.29212686D-03 0.28095100D-03 0.29964344D-03 0.28455697D-03 0.30735320D-03 0.28820922D-03 0.31526109D-03 0.29190835D-03 0.32337220D-03 0.29565496D-03 0.33169175D-03 0.29944966D-03 0.34022507D-03 0.30329306D-03 0.34897766D-03 0.30718579D-03 0.35795513D-03 0.31112848D-03 0.36716325D-03 0.31512178D-03 0.37660794D-03 0.31916633D-03 0.38629525D-03 0.32326279D-03 0.39623143D-03 0.32741183D-03 0.40642283D-03 0.33161412D-03 0.41687601D-03 0.33587035D-03 0.42759767D-03 0.34018120D-03 0.43859471D-03 0.34454739D-03 0.44987416D-03 0.34896961D-03 0.46144328D-03 0.35344859D-03 0.47330948D-03 0.35798507D-03 0.48548038D-03 0.36257976D-03 0.49796378D-03 0.36723343D-03 0.51076769D-03 0.37194682D-03 0.52390032D-03 0.37672072D-03 0.53737009D-03 0.38155588D-03 0.55118563D-03 0.38645311D-03 0.56535580D-03 0.39141319D-03 0.57988968D-03 0.39643693D-03 0.59479659D-03 0.40152515D-03 0.61008606D-03 0.40667867D-03 0.62576790D-03 0.41189835D-03 0.64185215D-03 0.41718501D-03 0.65834911D-03 0.42253953D-03 0.67526934D-03 0.42796278D-03 0.69262368D-03 0.43345563D-03 0.71042322D-03 0.43901898D-03 0.72867937D-03 0.44465373D-03 0.74740380D-03 0.45036081D-03 0.76660849D-03 0.45614114D-03 0.78630572D-03 0.46199565D-03 0.80650810D-03 0.46792531D-03 0.82722853D-03 0.47393108D-03 0.84848026D-03 0.48001393D-03 0.87027689D-03 0.48617485D-03 0.89263233D-03 0.49241484D-03 0.91556086D-03 0.49873493D-03 0.93907715D-03 0.50513613D-03 0.96319619D-03 0.51161949D-03 0.98793341D-03 0.51818607D-03 0.10133046D-02 0.52483692D-03 0.10393259D-02 0.53157314D-03 0.10660140D-02 0.53839582D-03 0.10933859D-02 0.54530607D-03 0.11214590D-02 0.55230500D-03 0.11502512D-02 0.55939377D-03 0.11797810D-02 0.56657352D-03 0.12100671D-02 0.57384543D-03 0.12411289D-02 0.58121066D-03 0.12729861D-02 0.58867043D-03 0.13056590D-02 0.59622595D-03 0.13391684D-02 0.60387844D-03 0.13735358D-02 0.61162914D-03 0.14087828D-02 0.61947933D-03 0.14449321D-02 0.62743027D-03 0.14820066D-02 0.63548326D-03 0.15200298D-02 0.64363961D-03 0.15590260D-02 0.65190065D-03 0.15990200D-02 0.66026772D-03 0.16400371D-02 0.66874218D-03 0.16821035D-02 0.67732540D-03 0.17252458D-02 0.68601879D-03 0.17694916D-02 0.69482376D-03 0.18148688D-02 0.70374174D-03 0.18614063D-02 0.71277418D-03 0.19091336D-02 0.72192255D-03 0.19580811D-02 0.73118834D-03 0.20082797D-02 0.74057305D-03 0.20597612D-02 0.75007822D-03 0.21125585D-02 0.75970538D-03 0.21667048D-02 0.76945611D-03 0.22222345D-02 0.77933199D-03 0.22791828D-02 0.78933462D-03 0.23375857D-02 0.79946564D-03 0.23974802D-02 0.80972668D-03 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0.84531410D-10 0.24356230D+01 0.58255877D-10 0.24668840D+01 0.39956374D-10 0.24985461D+01 0.27272848D-10 0.25306147D+01 0.18524484D-10 0.25630948D+01 0.12520042D-10 0.25959918D+01 0.84194163D-11 0.26293111D+01 0.56330940D-11 0.26630580D+01 0.37494962D-11 0.26972380D+01 0.24827428D-11 0.27318567D+01 0.16352926D-11 0.27669198D+01 0.10713625D-11 0.28024328D+01 0.69811611D-12 0.28384017D+01 0.45242171D-12 0.28748323D+01 0.29158181D-12 0.29117304D+01 0.18687849D-12 0.29491021D+01 0.11910436D-12 0.29869535D+01 0.75485647D-13 0.30252907D+01 0.47575940D-13 0.30641199D+01 0.29822788D-13 0.31034475D+01 0.18597054D-13 0.31432799D+01 0.11543185D-13 0.31836235D+01 0.71353146D-14 0.32244850D+01 0.43931999D-14 0.32658708D+01 0.27204793D-14 0.33077879D+01 0.16546118D-14 0.33502430D+01 0.99144520D-15 0.33932429D+01 0.59018270D-15 0.34367948D+01 0.34898983D-15 0.34809056D+01 0.20497952D-15 ENERGIE (R4) (R2) (R) (R-1) (R-3) 1S -1.8199924E+01 7.6046976E-03 5.3813787E-02 1.9952808E-01 7.6357502E+00 0 ET=-4.4497304E+01 EC= 7.2283670E+01 EE= 9.4506692E+00 EX=-4.0596404E+00 EN=-1.2217200E+02