Iron (V, 2p frozen) BASIS 1S 19.55 2S 9.45 2P 10.90 3S 3.50 3S 5.45 3P 6.250 3P 4.150 3P 2.800 3D 1.40 3D 3.05 3D 6.40 4S 0.90 4S 1.40 4S 2.30 4P 1.39 4F 2.50 END CORE 2 1 0 0 1S 30.45 1S 23.90 2S 10.05 2S 6.35 3S 6.10 3S 3.70 4S 0.90 4S 1.40 4S 2.30 2P 14.60 2P 9.20 3P 5.20 3P 3.10 END DESCRIPTION .36192266398710098985E+00 .63680979384668456866E+00 .54195890622947419379E-01 -.88785570960143514463E-01 .60652511122246573205E-01 -.16104884376681109781E-01 .15300041328752331249E-02 -.40365325463932984554E-02 .63741602926594490008E-02 .89768049727271162497E-01 -.47737781637671344859E+00 .10555513067973438801E+01 .73992006531672663283E-01 -.52572385663977851122E-01 .20849605803622772715E-01 -.26246173487387996527E-02 .67319975631636658556E-02 -.99741187017448780516E-02 .33569888749914128523E+00 .69183726361712050146E+00 .19856413851412060487E-02 -.43582994920330134486E-03 0/ END FIT 1S 40.60 2S 38.73 3S 34.02 4S 29.12 4S 19.75 5S 16.76 5S 11.80 6S 9.98 6S 7.23 6S 5.24 7S 4.43 7S 3.28 7S 2.43 7S 1.80 2P 31.20 3P 20.09 4P 13.17 5P 8.81 6P 6.00 6P 3.52 7P 2.44 3D 26.70 4D 16.88 5D 10.93 6D 7.23 6D 4.12 7D 2.78 4F 17.30 5F 9.86 5F 4.74 6F 2.79 5G 11.10 5G 5.91 5G 3.15 END FITCOEFFICIENTS .150179631228893129E+03 -.160769551993613004E+04 .103669873722342004E+04 .244365311242833501E+06 .220949359647631863E+05 -.112114996772110564E+06 .153465129286020983E+05 .873500169762910082E+04 .474782084232745717E+03 .538631064671030035E+01 .158684895792903768E+01 .768707994538079947E-01 .505979210815482496E-02 -.118284924872277103E-04 .000000000000000000E+00 / END