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Zustand -12.9423882881629 eigenwert von 20 Zustand -3.27128810744400 eigenwert von 21 Zustand -2.97386514538878 1 7.97E+00 1.270018E+00 -3.833933E+00 -1.180263E+01 1.01E+00 -1.00E+00 0.000000E+00 1.019081E+00 NOMBRE D ITERATIONS SUPERIEUR A 1 1 U RADII AND CHARGE DENS. 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-7.9444850E+02 2.6528060E-05 3.8518500E-03 5.6485659E-02 3.1089958E+01 2P* -7.6581365E+02 1.5198308E-05 2.6561544E-03 4.5758998E-02 3.0965335E+01 2P -6.2507043E+02 2.8718945E-05 3.8219536E-03 5.5994917E-02 2.2786745E+01 3.5328705E+04 3S -2.0014585E+02 9.4408625E-04 2.4923590E-02 1.4709762E-01 1.1303009E+01 3P* -1.8718129E+02 8.0180141E-04 2.2404804E-02 1.3822945E-01 1.1191284E+01 3P -1.5475086E+02 1.2748484E-03 2.8533907E-02 1.5664842E-01 9.0299145E+00 8.7622661E+03 3D* -1.3431717E+02 8.0720309E-04 2.1412217E-02 1.3507619E-01 8.9331670E+00 1.5590242E+03 3D -1.2774228E+02 9.2176521E-04 2.3041696E-02 1.4051067E-01 8.4976107E+00 1.1997940E+03 4S -5.0610337E+01 1.9181740E-02 1.1565550E-01 3.1987648E-01 4.8413179E+00 4P* -4.4778626E+01 1.9564190E-02 1.1545123E-01 3.1830720E-01 4.7255630E+00 4P -3.6323859E+01 2.9837927E-02 1.4302367E-01 3.5482627E-01 3.9827305E+00 2.3103459E+03 4D* -2.7064849E+01 3.1361865E-02 1.4251892E-01 3.5164204E-01 3.8024212E+00 3.8542153E+02 4D -2.5511001E+01 3.5246917E-02 1.5129584E-01 3.6259069E-01 3.6495818E+00 2.8867975E+02 5S -1.0832901E+01 3.4774075E-01 4.9800122E-01 6.6741769E-01 2.1456640E+00 5P* -8.5731611E+00 4.1893812E-01 5.4177239E-01 6.9460404E-01 2.0322996E+00 5P -6.5725563E+00 6.4373840E-01 6.7116880E-01 7.7336145E-01 1.7582519E+00 5.4484328E+02 4F* -1.3347175E+01 3.7752226E-02 1.4523886E-01 3.5204281E-01 3.3822604E+00 7.1158082E+01 4F -1.2942388E+01 3.9959756E-02 1.4959927E-01 3.5746415E-01 3.3248104E+00 6.6597893E+01 5D* -3.2712881E+00 1.0986678E+00 8.5257125E-01 8.6645146E-01 1.5365238E+00 7.5088967E+01 5D -2.9738651E+00 1.2505023E+00 9.0848275E-01 8.9436074E-01 1.4796541E+00 5.5487689E+01 0 ET=-2.7281190E+04 EC= 3.5077628E+04 EE= 9.7218295E+03 EX=-4.4572421E+02 EN=-7.1634923E+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 -18.1844192225732 1 7.16E+00 1.876470E-01 -2.881918E+01 -3.597809E+01 1.37E-01 -1.00E+00 0.000000E+00 1.008716E+00 NOMBRE D ITERATIONS SUPERIEUR A 1 1 O RADII AND CHARGE DENS. 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0.84890783D-10 0.24356230D+01 0.58510266D-10 0.24668840D+01 0.40135546D-10 0.24985461D+01 0.27398404D-10 0.25306147D+01 0.18612018D-10 0.25630948D+01 0.12580752D-10 0.25959918D+01 0.84613023D-11 0.26293111D+01 0.56618398D-11 0.26630580D+01 0.37691185D-11 0.26972380D+01 0.24960649D-11 0.27318567D+01 0.16442879D-11 0.27669198D+01 0.10774027D-11 0.28024328D+01 0.70214948D-12 0.28384017D+01 0.45509985D-12 0.28748323D+01 0.29335001D-12 0.29117304D+01 0.18803927D-12 0.29491021D+01 0.11986203D-12 0.29869535D+01 0.75977397D-13 0.30252907D+01 0.47893312D-13 0.30641199D+01 0.30026509D-13 0.31034475D+01 0.18727159D-13 0.31432799D+01 0.11625903D-13 0.31836235D+01 0.71877018D-14 0.32244850D+01 0.44262926D-14 0.32658708D+01 0.27415040D-14 0.33077879D+01 0.16677582D-14 0.33502430D+01 0.99954053D-15 0.33932429D+01 0.59513310D-15 0.34367948D+01 0.35199587D-15 0.34809056D+01 0.20679198D-15 ENERGIE (R4) (R2) (R) (R-1) (R-3) 1S -1.8184419E+01 7.6051845E-03 5.3814843E-02 1.9952952E-01 7.6357257E+00 0 ET=-4.4466252E+01 EC= 7.2314360E+01 EE= 9.4506202E+00 EX=-4.0596211E+00 EN=-1.2217161E+02