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1.92E+01 3.407895E-01 -3.059795E+01 -4.982680E+01 5.18E-01 -1.00E+00 0.000000E+00 1.025740E+00 NOMBRE D ITERATIONS SUPERIEUR A 1 1 Fe RADII AND CHARGE DENS. 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0.11280666D-02 0.78819864D-04 0.11589697D-02 0.79914494D-04 0.11907185D-02 0.81024325D-04 0.12233359D-02 0.82149569D-04 0.12568459D-02 0.83290441D-04 0.12912727D-02 0.84447156D-04 0.13266413D-02 0.85619936D-04 0.13629776D-02 0.86809003D-04 0.14003079D-02 0.88014583D-04 0.14386593D-02 0.89236906D-04 0.14780598D-02 0.90476204D-04 0.15185380D-02 0.91732714D-04 0.15601233D-02 0.93006673D-04 0.16028459D-02 0.94298325D-04 0.16467368D-02 0.95607916D-04 0.16918280D-02 0.96935693D-04 0.17381522D-02 0.98281910D-04 0.17857431D-02 0.99646823D-04 0.18346352D-02 0.10103069D-03 0.18848640D-02 0.10243378D-03 0.19364660D-02 0.10385635D-03 0.19894786D-02 0.10529868D-03 0.20439404D-02 0.10676104D-03 0.20998908D-02 0.10824371D-03 0.21573704D-02 0.10974697D-03 0.22164210D-02 0.11127111D-03 0.22770853D-02 0.11281641D-03 0.23394074D-02 0.11438317D-03 0.24034325D-02 0.11597170D-03 0.24692070D-02 0.11758228D-03 0.25367785D-02 0.11921523D-03 0.26061960D-02 0.12087086D-03 0.26775099D-02 0.12254949D-03 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ALTERNATELY 0.50000000D-04 0.11488873D-02 0.50686767D-04 0.11796631D-02 0.51382967D-04 0.12112627D-02 0.52088729D-04 0.12437078D-02 0.52804185D-04 0.12770213D-02 0.53529468D-04 0.13112262D-02 0.54264713D-04 0.13463463D-02 0.55010058D-04 0.13824062D-02 0.55765639D-04 0.14194310D-02 0.56531599D-04 0.14574463D-02 0.57308079D-04 0.14964788D-02 0.58095225D-04 0.15365554D-02 0.58893183D-04 0.15777043D-02 0.59702100D-04 0.16199539D-02 0.60522129D-04 0.16633336D-02 0.61353420D-04 0.17078737D-02 0.62196130D-04 0.17536052D-02 0.63050415D-04 0.18005598D-02 0.63916434D-04 0.18487702D-02 0.64794347D-04 0.18982699D-02 0.65684319D-04 0.19490934D-02 0.66586516D-04 0.20012759D-02 0.67501104D-04 0.20548539D-02 0.68428254D-04 0.21098644D-02 0.69368139D-04 0.21663457D-02 0.70320934D-04 0.22243372D-02 0.71286815D-04 0.22838790D-02 0.72265964D-04 0.23450125D-02 0.73258561D-04 0.24077803D-02 0.74264792D-04 0.24722259D-02 0.75284844D-04 0.25383940D-02 0.76318906D-04 0.26063306D-02 0.77367172D-04 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0.76283081D-03 0.24617350D+01 0.62571317D-03 0.24955478D+01 0.51190943D-03 0.25298250D+01 0.41770345D-03 0.25645730D+01 0.33992792D-03 0.25997982D+01 0.27589056D-03 0.26355073D+01 0.22330905D-03 0.26717069D+01 0.18025393D-03 0.27084037D+01 0.14509858D-03 0.27456045D+01 0.11647558D-03 0.27833163D+01 0.93238686D-04 0.28215461D+01 0.74429848D-04 0.28603010D+01 0.59250675D-04 0.28995882D+01 0.47037815D-04 0.29394150D+01 0.37241786D-04 0.29797889D+01 0.29408830D-04 0.30207173D+01 0.23165418D-04 0.30622078D+01 0.18205005D-04 0.31042683D+01 0.14276953D-04 0.31469065D+01 0.11176608D-04 0.31901303D+01 0.87387191D-05 0.32339478D+01 0.68258787D-05 0.32783672D+01 0.53424033D-05 0.33233966D+01 0.41600527D-05 0.33690446D+01 0.32950847D-05 0.34153196D+01 0.25342580D-05 0.34622301D+01 0.19178293D-05 0.35097850D+01 0.14458799D-05 0.35579931D+01 0.10859116D-05 0.36068633D+01 0.81240624D-06 ENERGIE (R4) (R2) (R) (R-1) (R-3) 2 1 > COR 0.5774499E+00 0.3268651E-01 0.5765240E+00 0.0000000E+00 1S -4.3004435E+02 1.9989970E-05 2.7862178E-03 4.5495194E-02 3.3470561E+01 2S -5.4108423E+01 4.0676270E-03 4.8423759E-02 2.0250127E-01 7.4163079E+00 2P* -4.8286976E+01 2.8364535E-03 3.7458670E-02 1.7465170E-01 7.3795902E+00 2P -4.6943299E+01 3.0410758E-03 3.8932378E-02 1.7835106E-01 7.1650600E+00 1.0641698E+03 3S -6.4869708E+00 2.7350103E-01 4.1256640E-01 5.9820138E-01 2.3941549E+00 3P* -4.5314662E+00 3.3067441E-01 4.3768554E-01 6.1009212E-01 2.2699116E+00 3P -4.3469518E+00 3.5431374E-01 4.5296362E-01 6.2072254E-01 2.2183938E+00 1.4735848E+02 0 ET=-1.7914996E+03 EC= 2.4808288E+03 EE= 5.1928237E+02 EX=-5.9580445E+01 EN=-4.7320304E+03 1 As 0 INTEGRALES DE RECOUVREMENT 2S 1S 0.0000000 3S 1S 0.0000000 3S 2S 0.0000000 3P* 2P* 0.0000000 3P 2P 0.0000000