26 Fe J=4 E=-1.27110828D+03 n 1 2 2 3 3 3 3 4 4 4 4 1s c 0.979867 -0.101240 0.077520 0.096690 0.034980 -0.019800 0.009940 -0.062420 -0.004740 0.004360 -0.001990 z 26.733520 22.735650 11.157480 32.869670 8.227090 5.701970 3.840580 13.206350 2.268600 1.438630 0.947530 2s c -0.304003 -0.148443 0.998634 -0.013148 0.090178 -0.011523 0.021227 0.084607 0.000314 -0.002177 -0.001122 z 26.690155 22.766755 11.175217 32.869951 8.226641 5.701175 3.839126 13.195103 2.267621 1.437800 0.946200 n 2 2 2 2 3 3 3 2p c 0.003817 0.322259 0.494804 -0.020901 0.234972 0.036566 -0.013667 z 42.328980 16.140729 8.719466 4.098303 13.386844 3.369292 2.192874 n 1 2 2 3 3 3 3 4 4 4 4 3s c 0.117289 0.070408 -0.461960 0.005098 -0.077110 0.636882 0.565836 -0.107495 -0.000343 0.002728 0.003742 z 26.710496 22.739063 11.158093 32.859404 8.226805 5.706118 3.846828 13.207508 2.267640 1.437820 0.946201 n 2 2 2 2 3 3 3 3p c 0.001274 0.076649 0.507928 -0.824261 0.026310 -0.401458 -0.041994 z 42.292493 16.333743 8.722346 4.096264 13.252109 3.376440 2.190422 n 1 2 2 3 3 3 3 4 4 4 4 4s c 0.025695 0.015270 -0.101936 0.001471 -0.028579 0.180214 0.119361 -0.022991 -0.285227 -0.536533 -0.306484 z 26.710310 22.739409 11.157920 32.859200 8.226529 5.699980 3.843176 13.203642 2.275507 1.443056 0.951968 n 3 3 3 3 3 3d c 0.018030 0.214103 0.412689 0.384281 0.134867 z 12.746986 6.625397 4.019248 2.405056 1.474486 ----------------------------------------------------------------------------------------- 26 Fe2+ 1s n 1 2 2 3 3 3 3 4 4 4 4 c 0.96708500 -0.12314000 0.12641900 0.10620600 -0.02956200 -0.04838300 0.04639800 0.00846000 -0.00840300 -0.00380700 -0.00395200 z 26.69428100 22.72215800 11.15569100 32.92205300 8.22799400 5.70361200 3.84046900 13.20463800 2.26879300 1.43876300 0.94758000 2s n 1 2 2 3 3 3 3 4 4 4 4 c -0.33719800 -0.13369200 0.95517800 -0.02073800 0.09699300 0.01962300 0.07222500 0.07584600 -0.00599800 -0.00893800 -0.00329800 z 26.67142100 22.78744400 11.18992000 32.88355900 8.22582400 5.70087900 3.83820700 13.18741500 2.26770800 1.43780400 0.94620500 3s n 1 2 2 3 3 3 3 4 4 4 4 c 0.15357100 0.07854300 -0.53098000 0.00821800 -0.08083500 0.62803600 0.56806200 -0.11384800 0.00179600 0.00114400 0.00272200 z 26.70880400 22.74149400 11.15905100 32.86035200 8.22706300 5.70786500 3.84157400 13.20882500 2.26779000 1.43785300 0.94619900 2p n 2 2 2 2 3 3 3 c 0.00374200 0.31560100 0.48033000 0.01252200 0.22459600 0.08179800 -0.03456100 z 42.33832600 16.11645600 8.72776300 4.09784000 13.39827800 3.37210100 2.19233800 3p n 2 2 2 2 3 3 3 c -0.00149900 -0.09556300 -0.52544900 0.81675200 -0.04470200 0.41274400 0.03171200 z 42.29254000 16.33424300 8.72361700 4.09806600 13.25144000 3.36452600 2.19339000 3d n 3 3 3 3 3 c 0.01843900 0.21789700 0.40938800 0.42587200 0.07781100 z 12.74896100 6.60966600 4.03395100 2.37742400 1.50770100 ------------------------------------------------------------------------------------------------------ 26 Fe3+ 1s n 1 2 2 3 3 3 3 4 4 4 4 c 0.96664700 -0.12195300 0.12442900 0.10607500 -0.01920900 -0.04806700 0.03977300 0.00392600 -0.00449800 -0.00319500 -0.00562900 z 26.70076900 22.72437900 11.15587100 32.91348900 8.22796000 5.70331100 3.84036200 13.20465300 2.26871800 1.43869300 0.94754400 2s n 1 2 2 3 3 3 3 4 4 4 4 c -0.33706400 -0.13327700 0.95507700 -0.02107200 0.09560800 0.02250800 0.07069000 0.07575900 -0.00660600 -0.00883300 -0.00329500 z 26.67606900 22.78233300 11.18679000 32.88045200 8.22571800 5.70088900 3.83842100 13.18919300 2.26768300 1.43780200 0.94620500 3s n 1 2 2 3 3 3 3 4 4 4 4 c 0.15459600 0.07904100 -0.53491000 0.00837900 -0.08685900 0.64470500 0.56171200 -0.11352000 -0.01445500 0.00934400 0.00865200 z 26.70872000 22.74164700 11.15879000 32.86039500 8.22737500 5.70143900 3.85919800 13.20806300 2.26800400 1.43777400 0.94620400 2p n 2 2 2 2 3 3 3 c 0.00379300 0.31519500 0.48186200 0.01241200 0.22303500 0.08489000 -0.03891400 z 42.34260800 16.10689300 8.73061500 4.09771300 13.40164300 3.37298600 2.19278000 3p n 2 2 2 2 3 3 3 c -0.00149900 -0.09640900 -0.53500300 0.83727800 -0.04412000 0.41300700 0.00736900 z 42.29249700 16.33374800 8.71940700 4.08316100 13.25173200 3.38818300 2.19202100 3d n 3 3 3 3 3 c 0.01930200 0.23360900 0.45550300 0.40858400 0.00206100 z 12.74739600 6.62109100 3.99747600 2.43862200 1.49372400