1 83232833330 1 3 1000.0000 7 0 0 s 2 p 6 p 0 f 0 h 0 k 0 s 0 d 0 fe xi s2p6 e= -274753.16341 s 2 p 5 p 1 f 0 h 0 k 0 s 0 d 0 fe xi s2p5 4p e= -273699.05131 s 2 p 5 p 1 f 0 h 0 k 0 s 0 d 0 fe xi s2p5 5p e= -273346.91756 s 2 p 5 p 1 f 0 h 0 k 0 s 0 d 0 fe xi s2p5 6p e= -273180.11504 s 2 p 5 p 1 f 0 h 0 k 0 s 0 d 0 fe xi s2p5 7p e= -273087.19893 s 2 p 5 p 1 f 0 h 0 k 0 s 0 d 0 fe xi s2p5 8p e= -273030.00708 s 2 p 5 p 1 f 0 h 0 k 0 s 0 d 0 fe xi s2p5 9p e= -272992.28084 s 2 p 5 p 0 f 1 h 0 k 0 s 0 d 0 fe xi s2p5 4f e= -273441.86921 s 2 p 5 p 0 f 1 h 0 k 0 s 0 d 0 fe xi s2p5 5f e= -273232.55889 s 2 p 5 p 0 f 1 h 0 k 0 s 0 d 0 fe xi s2p5 6f e= -273118.82337 s 2 p 5 p 0 f 1 h 0 k 0 s 0 d 0 fe xi s2p5 7f e= -273050.39836 s 2 p 5 p 0 f 1 h 0 k 0 s 0 d 0 fe xi s2p5 8f e= -273006.15052 s 2 p 5 p 0 f 1 h 0 k 0 s 0 d 0 fe xi s2p5 9f e= -272975.92326 s 2 p 5 p 0 f 0 h 1 k 0 s 0 d 0 fe xi s2p5 6h e= -273110.83902 s 2 p 5 p 0 f 0 h 1 k 0 s 0 d 0 fe xi s2p5 7h e= -273045.25826 s 2 p 5 p 0 f 0 h 1 k 0 s 0 d 0 fe xi s2p5 8h e= -273002.65869 s 2 p 5 p 0 f 0 h 1 k 0 s 0 d 0 fe xi s2p5 9h e= -272973.45014 s 2 p 5 p 0 f 0 h 0 k 1 s 0 d 0 fe xi s2p5 8k e= -273002.44168 s 2 p 5 p 0 f 0 h 0 k 1 s 0 d 0 fe xi s2p5 9k e= -272973.29325 s 1 p 6 p 0 f 0 h 0 k 0 s 1 d 0 fe xi sp6 4s e= -273439.23901 s 1 p 6 p 0 f 0 h 0 k 0 s 1 d 0 fe xi sp6 5s e= -273033.44051 s 1 p 6 p 0 f 0 h 0 k 0 s 1 d 0 fe xi sp6 6s e= -272846.34164 s 1 p 6 p 0 f 0 h 0 k 0 s 1 d 0 fe xi sp6 7s e= -272744.13380 s 1 p 6 p 0 f 0 h 0 k 0 s 1 d 0 fe xi sp6 8s e= -272682.08667 s 1 p 6 p 0 f 0 h 0 k 0 s 1 d 0 fe xi sp6 9s e= -272641.58016 s 1 p 6 p 0 f 0 h 0 k 0 s 0 d 1 fe xi sp6 3d e= -273953.70625 s 1 p 6 p 0 f 0 h 0 k 0 s 0 d 1 fe xi sp6 4d e= -273193.78851 s 1 p 6 p 0 f 0 h 0 k 0 s 0 d 1 fe xi sp6 5d e= -272924.40650 s 1 p 6 p 0 f 0 h 0 k 0 s 0 d 1 fe xi sp6 6d e= -272788.37992 s 1 p 6 p 0 f 0 h 0 k 0 s 0 d 1 fe xi sp6 7d e= -272709.61512 s 1 p 6 p 0 f 0 h 0 k 0 s 0 d 1 fe xi sp6 8d e= -272659.86987 s 1 p 6 p 0 f 0 h 0 k 0 s 0 d 1 fe xi sp6 9d e= -272626.43862 s 2 p 5 s 1 d 0 g 0 i 0 p 0 f 0 fe xi s2p5 4s e= -273798.45207 s 2 p 5 s 1 d 0 g 0 i 0 p 0 f 0 fe xi s2p5 5s e= -273390.78815 s 2 p 5 s 1 d 0 g 0 i 0 p 0 f 0 fe xi s2p5 6s e= -273203.26650 s 2 p 5 s 1 d 0 g 0 i 0 p 0 f 0 fe xi s2p5 7s e= -273100.89945 s 2 p 5 s 1 d 0 g 0 i 0 p 0 f 0 fe xi s2p5 8s e= -273038.77834 s 2 p 5 s 1 d 0 g 0 i 0 p 0 f 0 fe xi s2p5 9s e= -272998.23214 s 2 p 5 s 0 d 1 g 0 i 0 p 0 f 0 fe xi s2p5 3d e= -274304.72367 s 2 p 5 s 0 d 1 g 0 i 0 p 0 f 0 fe xi s2p5 4d e= -273549.65577 s 2 p 5 s 0 d 1 g 0 i 0 p 0 f 0 fe xi s2p5 5d e= -273280.68589 s 2 p 5 s 0 d 1 g 0 i 0 p 0 f 0 fe xi s2p5 6d e= -273144.80595 s 2 p 5 s 0 d 1 g 0 i 0 p 0 f 0 fe xi s2p5 7d e= -273066.10394 s 2 p 5 s 0 d 1 g 0 i 0 p 0 f 0 fe xi s2p5 8d e= -273016.39072 s 2 p 5 s 0 d 1 g 0 i 0 p 0 f 0 fe xi s2p5 9d e= -272982.97755 s 2 p 5 s 0 d 0 g 1 i 0 p 0 f 0 fe xi s2p5 5g e= -273221.39529 s 2 p 5 s 0 d 0 g 1 i 0 p 0 f 0 fe xi s2p5 6g e= -273111.82159 s 2 p 5 s 0 d 0 g 1 i 0 p 0 f 0 fe xi s2p5 7g e= -273045.83456 s 2 p 5 s 0 d 0 g 1 i 0 p 0 f 0 fe xi s2p5 8g e= -273003.03996 s 2 p 5 s 0 d 0 g 1 i 0 p 0 f 0 fe xi s2p5 9g e= -272973.71862 s 2 p 5 s 0 d 0 g 0 i 1 p 0 f 0 fe xi s2p5 7i e= -273045.00356 s 2 p 5 s 0 d 0 g 0 i 1 p 0 f 0 fe xi s2p5 8i e= -273002.48983 s 2 p 5 s 0 d 0 g 0 i 1 p 0 f 0 fe xi s2p5 9i e= -272973.33432 s 1 p 6 s 0 d 0 g 0 i 0 p 1 f 0 fe xi sp6 4p e= -273343.77791 s 1 p 6 s 0 d 0 g 0 i 0 p 1 f 0 fe xi sp6 5p e= -272990.80837 s 1 p 6 s 0 d 0 g 0 i 0 p 1 f 0 fe xi sp6 6p e= -272823.76103 s 1 p 6 s 0 d 0 g 0 i 0 p 1 f 0 fe xi sp6 7p e= -272730.74740 s 1 p 6 s 0 d 0 g 0 i 0 p 1 f 0 fe xi sp6 8p e= -272673.50838 s 1 p 6 s 0 d 0 g 0 i 0 p 1 f 0 fe xi sp6 9p e= -272635.75616 s 1 p 6 s 0 d 0 g 0 i 0 p 0 f 1 fe xi sp6 4f e= -273086.00220 s 1 p 6 s 0 d 0 g 0 i 0 p 0 f 1 fe xi sp6 5f e= -272876.32802 s 1 p 6 s 0 d 0 g 0 i 0 p 0 f 1 fe xi sp6 6f e= -272762.42985 s 1 p 6 s 0 d 0 g 0 i 0 p 0 f 1 fe xi sp6 7f e= -272693.93112 s 1 p 6 s 0 d 0 g 0 i 0 p 0 f 1 fe xi sp6 8f e= -272649.64470 s 1 p 6 s 0 d 0 g 0 i 0 p 0 f 1 fe xi sp6 9f e= -272619.39518 fe xi s2p6 1 0.00E fe xi s2p5 4p 6 1054112.11E 10696.27z 2837.65z 43020.18f 12342.51g 14336.34g fe xi s2p5 5p 6 1406245.85E 10771.06z 1210.01z 16966.53f 4080.51g 5092.66g fe xi s2p5 6p 6 1573048.37E 10795.47z 632.14z 8409.51f 1915.76g 2464.30g fe xi s2p5 7p 6 1665964.49E 10805.85z 373.26z 4797.28f 1069.31g 1397.48g fe xi s2p5 8p 6 1723156.33E 10811.08z 239.06z 3002.38f 662.27g 873.72g fe xi s2p5 9p 6 1760882.57E 10814.01z 162.37z 2006.86f 440.17g 584.26g fe xi s2p5 4f 6 1311294.20E 10747.24z 24.26z 41839.36f 24456.36g 16158.92g fe xi s2p5 5f 6 1520604.52E 10783.87z 13.36z 18567.52f 12407.18g 8358.24g fe xi s2p5 6f 6 1634340.04E 10800.38z 7.87z 9798.41f 6777.56g 4613.53g fe xi s2p5 7f 6 1702765.05E 10808.08z 5.03z 5847.71f 4105.89g 2812.26g fe xi s2p5 8f 6 1747012.89E 10812.20z 3.39z 3786.07f 2679.97g 1842.91g fe xi s2p5 9f 6 1777240.15E 10814.61z 2.39z 2597.90f 1848.08g 1274.30g fe xi s2p5 6h 6 1642324.39E 10819.71z 1.31z 2886.00f 27.01g 20.03g fe xi s2p5 7h 6 1707905.15E 10819.65z 0.84z 1826.64f 33.03g 24.52g fe xi s2p5 8h 6 1750504.72E 10819.69z 0.58z 1229.09f 30.57g 22.72g fe xi s2p5 9h 6 1779713.28E 10819.75z 0.41z 866.27f 26.00g 19.33g fe xi s2p5 8k 6 1750721.73E 10820.07z 0.25z 476.65f 0.01g 0.01g fe xi s2p5 9k 6 1779870.16E 10820.07z 0.18z 334.78f 0.01g 0.01g fe xi sp6 4s 2 1313924.40E 11624.20g fe xi sp6 5s 2 1719722.90E 3671.31g fe xi sp6 6s 2 1906821.78E 1691.97g fe xi sp6 7s 2 2009029.61E 932.92g fe xi sp6 8s 2 2071076.74E 572.54g fe xi sp6 9s 2 2111583.26E 377.82g fe xi sp6 3d 3 799457.17E 816.93z 117948.46g fe xi sp6 4d 3 1559374.91E 232.28z 9628.20g fe xi sp6 5d 3 1828756.91E 107.21z 3660.02g fe xi sp6 6d 3 1964783.49E 58.22z 1849.44g fe xi sp6 7d 3 2043548.29E 35.28z 1080.80g fe xi sp6 8d 3 2093293.55E 23.01z 690.78g fe xi sp6 9d 3 2126724.80E 15.85z 469.71g fe xi s2p6 -s2p5 4p 2 4824.70 21899.89 fe xi s2p6 -s2p5 5p 2 2362.12 9530.23 fe xi s2p6 -s2p5 6p 2 1486.20 5552.04 fe xi s2p6 -s2p5 7p 2 1056.19 3748.77 fe xi s2p6 -s2p5 8p 2 805.29 2759.51 fe xi s2p6 -s2p5 9p 2 642.70 2148.09 fe xi s2p6 -s2p5 4f 1 -51135.05 fe xi s2p6 -s2p5 5f 1 -37919.17 fe xi s2p6 -s2p5 6f 1 -28436.35 fe xi s2p6 -s2p5 7f 1 -22280.57 fe xi s2p6 -s2p5 8f 1 -18064.60 fe xi s2p6 -s2p5 9f 1 -15032.79 fe xi s2p6 -sp6 4s 1 9177.29 fe xi s2p6 -sp6 5s 1 4591.96 fe xi s2p6 -sp6 6s 1 2944.14 fe xi s2p6 -sp6 7s 1 2117.42 fe xi s2p6 -sp6 8s 1 1626.54 fe xi s2p6 -sp6 9s 1 1304.36 fe xi s2p5 4p -s2p5 5p 4 0.00 18832.94 7000.59 8309.68 fe xi s2p5 4p -s2p5 6p 4 0.00 11652.78 4728.20 5613.02 fe xi s2p5 4p -s2p5 7p 4 0.00 8240.02 3498.06 4142.83 fe xi s2p5 4p -s2p5 8p 4 0.00 6270.46 2734.85 3231.56 fe xi s2p5 4p -s2p5 9p 4 0.00 5000.12 2219.45 2617.74 fe xi s2p5 4p -s2p5 4f 2 20422.06 -1610.29 fe xi s2p5 4p -s2p5 5f 2 4153.93 -2581.06 fe xi s2p5 4p -s2p5 6f 2 57.23 -2470.58 fe xi s2p5 4p -s2p5 7f 2 -1148.67 -2178.19 fe xi s2p5 4p -s2p5 8f 2 -1493.92 -1890.21 fe xi s2p5 4p -s2p5 9f 2 -1542.46 -1642.53 fe xi s2p5 4p -sp6 4s 2 73178.41 11895.43 fe xi s2p5 4p -sp6 5s 2 21451.34 6565.97 fe xi s2p5 4p -sp6 6s 2 12495.10 4386.96 fe xi s2p5 4p -sp6 7s 2 8616.84 3224.09 fe xi s2p5 4p -sp6 8s 2 6468.99 2508.71 fe xi s2p5 4p -sp6 9s 2 5115.00 2028.55 fe xi s2p5 4p -sp6 3d 2 21852.03 19052.49 fe xi s2p5 4p -sp6 4d 2 64590.36 10784.73 fe xi s2p5 4p -sp6 5d 2 25958.01 6256.05 fe xi s2p5 4p -sp6 6d 2 15160.74 4162.26 fe xi s2p5 4p -sp6 7d 2 10334.89 3032.43 fe xi s2p5 4p -sp6 8d 2 7677.46 2343.36 fe xi s2p5 4p -sp6 9d 2 6022.37 1885.85 fe xi s2p5 5p -s2p5 6p 4 0.00 10050.82 2788.68 3524.25 fe xi s2p5 5p -s2p5 7p 4 0.00 7082.76 2076.10 2635.35 fe xi s2p5 5p -s2p5 8p 4 0.00 5390.51 1629.22 2072.00 fe xi s2p5 5p -s2p5 9p 4 0.00 4301.30 1325.40 1687.14 fe xi s2p5 5p -s2p5 4f 2 7050.97 637.31 fe xi s2p5 5p -s2p5 5f 2 8028.75 -271.58 fe xi s2p5 5p -s2p5 6f 2 4069.44 -504.43 fe xi s2p5 5p -s2p5 7f 2 2312.96 -534.42 fe xi s2p5 5p -s2p5 8f 2 1440.93 -505.45 fe xi s2p5 5p -s2p5 9f 2 961.90 -461.33 fe xi s2p5 5p -sp6 4s 2 27993.56 6773.27 fe xi s2p5 5p -sp6 5s 2 33214.50 3842.81 fe xi s2p5 5p -sp6 6s 2 13464.60 2597.09 fe xi s2p5 5p -sp6 7s 2 8803.79 1920.06 fe xi s2p5 5p -sp6 8s 2 6466.56 1499.28 fe xi s2p5 5p -sp6 9s 2 5054.12 1215.06 fe xi s2p5 5p -sp6 3d 2 10470.35 7923.31 fe xi s2p5 5p -sp6 4d 2 18812.55 6197.46 fe xi s2p5 5p -sp6 5d 2 29759.96 3868.13 fe xi s2p5 5p -sp6 6d 2 16067.52 2672.12 fe xi s2p5 5p -sp6 7d 2 10848.71 1991.15 fe xi s2p5 5p -sp6 8d 2 8054.58 1561.42 fe xi s2p5 5p -sp6 9d 2 6326.53 1269.31 fe xi s2p5 6p -s2p5 7p 4 0.00 5762.47 1430.21 1853.00 fe xi s2p5 6p -s2p5 8p 4 0.00 4368.91 1124.23 1461.78 fe xi s2p5 6p -s2p5 9p 4 0.00 3482.44 915.57 1192.87 fe xi s2p5 6p -s2p5 4f 2 4470.02 870.76 fe xi s2p5 6p -s2p5 5f 2 3952.23 164.61 fe xi s2p5 6p -s2p5 6f 2 3891.85 -74.99 fe xi s2p5 6p -s2p5 7f 2 2568.96 -151.46 fe xi s2p5 6p -s2p5 8f 2 1803.69 -171.10 fe xi s2p5 6p -s2p5 9f 2 1339.61 -169.73 fe xi s2p5 6p -sp6 4s 2 16709.42 4581.83 fe xi s2p5 6p -sp6 5s 2 16910.18 2630.96 fe xi s2p5 6p -sp6 6s 2 17711.21 1787.20 fe xi s2p5 6p -sp6 7s 2 8598.23 1324.83 fe xi s2p5 6p -sp6 8s 2 6038.81 1036.13 fe xi s2p5 6p -sp6 9s 2 4631.10 840.56 fe xi s2p5 6p -sp6 3d 2 6513.64 4460.60 fe xi s2p5 6p -sp6 4d 2 11271.72 4163.10 fe xi s2p5 6p -sp6 5d 2 11779.69 2680.40 fe xi s2p5 6p -sp6 6d 2 16027.42 1879.85 fe xi s2p5 6p -sp6 7d 2 10038.75 1413.15 fe xi s2p5 6p -sp6 8d 2 7332.52 1114.40 fe xi s2p5 6p -sp6 9d 2 5721.89 909.36 fe xi s2p5 7p -s2p5 8p 4 0.00 3572.51 841.30 1104.40 fe xi s2p5 7p -s2p5 9p 4 0.00 2839.67 685.55 902.28 fe xi s2p5 7p -s2p5 4f 2 3227.43 816.45 fe xi s2p5 7p -s2p5 5f 2 2791.04 259.52 fe xi s2p5 7p -s2p5 6f 2 2310.07 50.35 fe xi s2p5 7p -s2p5 7f 2 2180.17 -28.29 fe xi s2p5 7p -s2p5 8f 2 1626.16 -58.33 fe xi s2p5 7p -s2p5 9f 2 1253.31 -68.62 fe xi s2p5 7p -sp6 4s 2 11626.07 3392.40 fe xi s2p5 7p -sp6 5s 2 11382.24 1960.52 fe xi s2p5 7p -sp6 6s 2 10489.95 1335.44 fe xi s2p5 7p -sp6 7s 2 10521.37 991.37 fe xi s2p5 7p -sp6 8s 2 5745.71 776.00 fe xi s2p5 7p -sp6 9s 2 4242.02 629.88 fe xi s2p5 7p -sp6 3d 2 4597.67 2937.02 fe xi s2p5 7p -sp6 4d 2 7889.78 3061.80 fe xi s2p5 7p -sp6 5d 2 7861.44 2004.56 fe xi s2p5 7p -sp6 6d 2 7562.62 1417.06 fe xi s2p5 7p -sp6 7d 2 9596.21 1070.11 fe xi s2p5 7p -sp6 8d 2 6578.09 846.31 fe xi s2p5 7p -sp6 9d 2 5057.18 691.94 fe xi s2p5 8p -s2p5 9p 4 0.00 2358.07 539.85 714.32 fe xi s2p5 8p -s2p5 4f 2 2493.16 718.90 fe xi s2p5 8p -s2p5 5f 2 2139.09 267.74 fe xi s2p5 8p -s2p5 6f 2 1739.46 89.36 fe xi s2p5 8p -s2p5 7f 2 1453.29 17.54 fe xi s2p5 8p -s2p5 8f 2 1347.30 -13.25 fe xi s2p5 8p -s2p5 9f 2 1075.03 -26.63 fe xi s2p5 8p -sp6 4s 2 8768.73 2653.42 fe xi s2p5 8p -sp6 5s 2 8468.96 1539.37 fe xi s2p5 8p -sp6 6s 2 7585.33 1050.30 fe xi s2p5 8p -sp6 7s 2 6850.54 780.37 fe xi s2p5 8p -sp6 8s 2 6745.62 611.16 fe xi s2p5 8p -sp6 9s 2 4005.68 496.24 fe xi s2p5 8p -sp6 3d 2 3490.12 2122.33 fe xi s2p5 8p -sp6 4d 2 5979.50 2382.69 fe xi s2p5 8p -sp6 5d 2 5841.51 1575.83 fe xi s2p5 8p -sp6 6d 2 5395.71 1119.29 fe xi s2p5 8p -sp6 7d 2 5088.25 847.53 fe xi s2p5 8p -sp6 8d 2 6191.22 671.42 fe xi s2p5 8p -sp6 9d 2 4510.39 549.58 fe xi s2p5 9p -s2p5 4f 2 2009.53 625.85 fe xi s2p5 9p -s2p5 5f 2 1717.71 251.55 fe xi s2p5 9p -s2p5 6f 2 1387.19 99.00 fe xi s2p5 9p -s2p5 7f 2 1143.42 35.25 fe xi s2p5 9p -s2p5 8f 2 970.75 6.41 fe xi s2p5 9p -s2p5 9f 2 893.00 -7.26 fe xi s2p5 9p -sp6 4s 2 6953.99 2153.96 fe xi s2p5 9p -sp6 5s 2 6668.61 1252.75 fe xi s2p5 9p -sp6 6s 2 5898.95 855.66 fe xi s2p5 9p -sp6 7s 2 5201.77 636.12 fe xi s2p5 9p -sp6 8s 2 4688.35 498.35 fe xi s2p5 9p -sp6 9s 2 4577.78 404.73 fe xi s2p5 9p -sp6 3d 2 2777.10 1629.48 fe xi s2p5 9p -sp6 4d 2 4759.22 1926.96 fe xi s2p5 9p -sp6 5d 2 4600.83 1282.91 fe xi s2p5 9p -sp6 6d 2 4176.46 914.04 fe xi s2p5 9p -sp6 7d 2 3804.27 693.32 fe xi s2p5 9p -sp6 8d 2 3570.95 549.86 fe xi s2p5 9p -sp6 9d 2 4222.82 450.41 fe xi s2p5 4f -s2p5 5f 4 0.00 21344.44 17247.65 11484.81 fe xi s2p5 4f -s2p5 6f 4 0.00 13774.81 12593.73 8406.63 fe xi s2p5 4f -s2p5 7f 4 0.00 9966.95 9713.52 6489.96 fe xi s2p5 4f -s2p5 8f 4 0.00 7701.24 7796.75 5211.25 fe xi s2p5 4f -s2p5 9f 4 0.00 6209.58 6444.14 4307.87 fe xi s2p5 4f -s2p5 6h 2 4289.84 513.33 fe xi s2p5 4f -s2p5 7h 2 4270.91 579.85 fe xi s2p5 4f -s2p5 8h 2 3865.04 565.09 fe xi s2p5 4f -s2p5 9h 2 3426.71 525.54 fe xi s2p5 4f -sp6 3d 2 -68612.60 -48547.33 fe xi s2p5 4f -sp6 4d 2 39085.18 -1630.30 fe xi s2p5 4f -sp6 5d 2 12211.39 1465.04 fe xi s2p5 4f -sp6 6d 2 7552.43 1784.85 fe xi s2p5 4f -sp6 7d 2 5402.55 1657.09 fe xi s2p5 4f -sp6 8d 2 4157.68 1461.65 fe xi s2p5 4f -sp6 9d 2 3346.48 1277.32 fe xi s2p5 5f -s2p5 6f 4 0.00 12023.36 9147.87 6191.12 fe xi s2p5 5f -s2p5 7f 4 0.00 8769.70 7094.79 4812.22 fe xi s2p5 5f -s2p5 8f 4 0.00 6810.85 5714.46 3880.67 fe xi s2p5 5f -s2p5 9f 4 0.00 5510.03 4734.01 3217.19 fe xi s2p5 5f -s2p5 6h 2 -1717.04 319.36 fe xi s2p5 5f -s2p5 7h 2 -558.74 363.32 fe xi s2p5 5f -s2p5 8h 2 -38.27 355.64 fe xi s2p5 5f -s2p5 9h 2 197.49 331.73 fe xi s2p5 5f -sp6 3d 2 -49162.99 -36034.71 fe xi s2p5 5f -sp6 4d 2 3626.05 -2318.91 fe xi s2p5 5f -sp6 5d 2 19688.46 417.33 fe xi s2p5 5f -sp6 6d 2 8074.13 873.93 fe xi s2p5 5f -sp6 7d 2 5479.33 899.76 fe xi s2p5 5f -sp6 8d 2 4126.63 828.94 fe xi s2p5 5f -sp6 9d 2 3283.55 741.68 fe xi s2p5 6f -s2p5 7f 4 0.00 7115.85 5271.04 3598.42 fe xi s2p5 6f -s2p5 8f 4 0.00 5541.28 4252.93 2908.16 fe xi s2p5 6f -s2p5 9f 4 0.00 4492.49 3527.35 2414.49 fe xi s2p5 6f -s2p5 6h 2 -171.26 217.23 fe xi s2p5 6f -s2p5 7h 2 -818.11 248.04 fe xi s2p5 6f -s2p5 8h 2 -604.67 243.36 fe xi s2p5 6f -s2p5 9h 2 -416.39 227.36 fe xi s2p5 6f -sp6 3d 2 -36368.46 -27039.58 fe xi s2p5 6f -sp6 4d 2 -2170.56 -2171.31 fe xi s2p5 6f -sp6 5d 2 6873.28 43.42 fe xi s2p5 6f -sp6 6d 2 11093.11 471.17 fe xi s2p5 6f -sp6 7d 2 5294.69 538.60 fe xi s2p5 6f -sp6 8d 2 3805.03 515.49 fe xi s2p5 6f -sp6 9d 2 2968.49 470.26 fe xi s2p5 7f -s2p5 8f 4 0.00 4532.49 3316.14 2275.66 fe xi s2p5 7f -s2p5 9f 4 0.00 3678.13 2752.22 1890.96 fe xi s2p5 7f -s2p5 6h 2 -127.68 160.41 fe xi s2p5 7f -s2p5 7h 2 -152.22 183.57 fe xi s2p5 7f -s2p5 8h 2 -422.51 180.35 fe xi s2p5 7f -s2p5 9h 2 -387.00 168.64 fe xi s2p5 7f -sp6 3d 2 -28305.34 -21194.44 fe xi s2p5 7f -sp6 4d 2 -3372.17 -1898.05 fe xi s2p5 7f -sp6 5d 2 3172.96 -90.61 fe xi s2p5 7f -sp6 6d 2 5444.23 283.33 fe xi s2p5 7f -sp6 7d 2 6835.85 358.26 fe xi s2p5 7f -sp6 8d 2 3619.91 354.05 fe xi s2p5 7f -sp6 9d 2 2710.73 328.02 fe xi s2p5 8f -s2p5 9f 4 0.00 3060.36 2225.17 1532.18 fe xi s2p5 8f -s2p5 6h 2 -94.17 125.13 fe xi s2p5 8f -s2p5 7h 2 -119.53 143.40 fe xi s2p5 8f -s2p5 8h 2 -121.31 141.00 fe xi s2p5 8f -s2p5 9h 2 -243.16 131.93 fe xi s2p5 8f -sp6 3d 2 -22862.60 -17188.48 fe xi s2p5 8f -sp6 4d 2 -3470.67 -1639.95 fe xi s2p5 8f -sp6 5d 2 1643.22 -138.03 fe xi s2p5 8f -sp6 6d 2 3351.81 185.04 fe xi s2p5 8f -sp6 7d 2 3974.66 257.22 fe xi s2p5 8f -sp6 8d 2 4500.87 261.01 fe xi s2p5 8f -sp6 9d 2 2574.43 244.80 fe xi s2p5 9f -s2p5 6h 2 -73.79 101.40 fe xi s2p5 9f -s2p5 7h 2 -92.36 116.31 fe xi s2p5 9f -s2p5 8h 2 -98.81 114.44 fe xi s2p5 9f -s2p5 9h 2 -94.61 107.12 fe xi s2p5 9f -sp6 3d 2 -18980.74 -14306.31 fe xi s2p5 9f -sp6 4d 2 -3264.65 -1421.40 fe xi s2p5 9f -sp6 5d 2 902.20 -151.29 fe xi s2p5 9f -sp6 6d 2 2289.84 128.72 fe xi s2p5 9f -sp6 7d 2 2749.23 195.20 fe xi s2p5 9f -sp6 8d 2 2901.61 202.43 fe xi s2p5 9f -sp6 9d 2 3116.97 191.71 fe xi s2p5 6h -s2p5 7h 4 0.00 1650.23 29.85 22.14 fe xi s2p5 6h -s2p5 8h 4 0.00 1162.39 28.68 21.28 fe xi s2p5 6h -s2p5 9h 4 0.00 890.54 26.42 19.61 fe xi s2p5 6h -s2p5 8k 2 651.44 0.34 fe xi s2p5 6h -s2p5 9k 2 648.70 0.45 fe xi s2p5 7h -s2p5 8h 4 0.00 1280.29 31.76 23.59 fe xi s2p5 7h -s2p5 9h 4 0.00 986.93 29.28 21.75 fe xi s2p5 7h -s2p5 8k 2 -143.02 0.36 fe xi s2p5 7h -s2p5 9k 2 102.78 0.49 fe xi s2p5 8h -s2p5 9h 4 0.00 942.18 28.19 20.95 fe xi s2p5 8h -s2p5 8k 2 -0.22 0.34 fe xi s2p5 8h -s2p5 9k 2 -85.64 0.46 fe xi s2p5 9h -s2p5 8k 2 1.63 0.31 fe xi s2p5 9h -s2p5 9k 2 -0.29 0.42 fe xi s2p5 8k -s2p5 9k 4 0.00 259.48 0.01 0.01 fe xi sp6 4s -sp6 5s 2 0.00 6443.13 fe xi sp6 4s -sp6 6s 2 0.00 4312.42 fe xi sp6 4s -sp6 7s 2 0.00 3172.11 fe xi sp6 4s -sp6 8s 2 0.00 2469.52 fe xi sp6 4s -sp6 9s 2 0.00 1997.52 fe xi sp6 5s -sp6 6s 2 0.00 2486.09 fe xi sp6 5s -sp6 7s 2 0.00 1839.90 fe xi sp6 5s -sp6 8s 2 0.00 1437.57 fe xi sp6 5s -sp6 9s 2 0.00 1165.51 fe xi sp6 6s -sp6 7s 2 0.00 1255.50 fe xi sp6 6s -sp6 8s 2 0.00 982.50 fe xi sp6 6s -sp6 9s 2 0.00 797.36 fe xi sp6 7s -sp6 8s 2 0.00 730.67 fe xi sp6 7s -sp6 9s 2 0.00 593.30 fe xi sp6 8s -sp6 9s 2 0.00 465.05 fe xi sp6 3d -sp6 4d 2 0.00 17777.05 fe xi sp6 3d -sp6 5d 2 0.00 5842.30 fe xi sp6 3d -sp6 6d 2 0.00 2401.73 fe xi sp6 3d -sp6 7d 2 0.00 1099.62 fe xi sp6 3d -sp6 8d 2 0.00 520.81 fe xi sp6 3d -sp6 9d 2 0.00 235.99 fe xi sp6 4d -sp6 5d 2 0.00 5663.17 fe xi sp6 4d -sp6 6d 2 0.00 3808.33 fe xi sp6 4d -sp6 7d 2 0.00 2795.38 fe xi sp6 4d -sp6 8d 2 0.00 2171.58 fe xi sp6 4d -sp6 9d 2 0.00 1754.25 fe xi sp6 5d -sp6 6d 2 0.00 2575.67 fe xi sp6 5d -sp6 7d 2 0.00 1941.16 fe xi sp6 5d -sp6 8d 2 0.00 1533.61 fe xi sp6 5d -sp6 9d 2 0.00 1253.13 fe xi sp6 6d -sp6 7d 2 0.00 1409.52 fe xi sp6 6d -sp6 8d 2 0.00 1121.36 fe xi sp6 6d -sp6 9d 2 0.00 920.54 fe xi sp6 7d -sp6 8d 2 0.00 863.07 fe xi sp6 7d -sp6 9d 2 0.00 710.27 fe xi sp6 8d -sp6 9d 2 0.00 569.34 fe xi s2p5 4s 3 954711.34E 10691.19z 14852.56g fe xi s2p5 5s 3 1362375.26E 10771.89z 4837.51g fe xi s2p5 6s 3 1549896.91E 10796.40z 2262.29g fe xi s2p5 7s 3 1652263.96E 10806.57z 1257.14g fe xi s2p5 8s 3 1714385.07E 10811.61z 775.11g fe xi s2p5 9s 3 1754931.28E 10814.42z 513.04g fe xi s2p5 3d 6 448439.74E 10256.74z 816.33z 128724.77f 151955.46g 96717.83g fe xi s2p5 4d 6 1203507.64E 10697.82z 232.08z 38103.00f 10115.86g 10312.05g fe xi s2p5 5d 6 1472477.52E 10767.53z 107.23z 15851.53f 3696.76g 4065.07g fe xi s2p5 6d 6 1608357.46E 10792.78z 58.24z 8122.84f 1831.23g 2066.86g fe xi s2p5 7d 6 1687059.47E 10803.97z 35.29z 4743.94f 1058.10g 1208.57g fe xi s2p5 8d 6 1736772.69E 10809.74z 23.02z 3021.68f 671.53g 772.00g fe xi s2p5 9d 6 1770185.86E 10813.03z 15.86z 2047.44f 454.50g 524.55g fe xi s2p5 5g 6 1531768.12E 10813.55z 4.07z 9420.50f 980.85g 691.60g fe xi s2p5 6g 6 1641341.82E 10814.41z 2.37z 5547.01f 916.49g 648.87g fe xi s2p5 7g 6 1707328.86E 10815.89z 1.53z 3508.76f 706.13g 501.17g fe xi s2p5 8g 6 1750123.45E 10817.04z 1.03z 2348.84f 526.06g 373.97g fe xi s2p5 9g 6 1779444.79E 10817.85z 0.72z 1645.32f 393.50g 280.04g fe xi s2p5 7i 6 1708159.85E 10820.06z 0.51z 1094.83f 0.54g 0.41g fe xi s2p5 8i 6 1750673.58E 10820.05z 0.37z 733.74f 0.80g 0.62g fe xi s2p5 9i 6 1779829.09E 10820.05z 0.26z 515.57f 0.86g 0.66g fe xi sp6 4p 3 1409385.50E 2839.36z 13373.10g fe xi sp6 5p 3 1762355.05E 1209.41z 4539.16g fe xi sp6 6p 3 1929402.38E 631.83z 2156.58g fe xi sp6 7p 3 2022416.01E 373.11z 1211.56g fe xi sp6 8p 3 2079655.03E 238.99z 753.32g fe xi sp6 9p 3 2117407.26E 162.33z 501.97g fe xi sp6 4f 3 1667161.21E 24.36z 18624.66g fe xi sp6 5f 3 1876835.39E 13.39z 9854.88g fe xi sp6 6f 3 1990733.56E 7.89z 5484.17g fe xi sp6 7f 3 2059232.29E 5.05z 3355.59g fe xi sp6 8f 3 2103518.72E 3.40z 2203.38g fe xi sp6 9f 3 2133768.23E 2.40z 1525.36g fe xi s2p5 4s -s2p5 5s 2 0.00 8252.64 fe xi s2p5 4s -s2p5 6s 2 0.00 5498.66 fe xi s2p5 4s -s2p5 7s 2 0.00 4029.86 fe xi s2p5 4s -s2p5 8s 2 0.00 3129.14 fe xi s2p5 4s -s2p5 9s 2 0.00 2526.41 fe xi s2p5 4s -s2p5 3d 2 15869.00 18182.28 fe xi s2p5 4s -s2p5 4d 2 39102.99 11459.34 fe xi s2p5 4s -s2p5 5d 2 19809.41 6658.66 fe xi s2p5 4s -s2p5 6d 2 12473.09 4441.44 fe xi s2p5 4s -s2p5 7d 2 8827.56 3243.40 fe xi s2p5 4s -s2p5 8d 2 6704.16 2511.13 fe xi s2p5 4s -s2p5 9d 2 5334.60 2023.84 fe xi s2p5 4s -sp6 4p 2 73186.25 13897.51 fe xi s2p5 4s -sp6 5p 2 27957.47 8099.99 fe xi s2p5 4s -sp6 6p 2 16688.63 5489.67 fe xi s2p5 4s -sp6 7p 2 11612.85 4060.07 fe xi s2p5 4s -sp6 8p 2 8759.48 3171.16 fe xi s2p5 4s -sp6 9p 2 6947.06 2571.10 fe xi s2p5 5s -s2p5 6s 2 0.00 3293.57 fe xi s2p5 5s -s2p5 7s 2 0.00 2440.99 fe xi s2p5 5s -s2p5 8s 2 0.00 1907.99 fe xi s2p5 5s -s2p5 9s 2 0.00 1547.04 fe xi s2p5 5s -s2p5 3d 2 6995.60 7728.94 fe xi s2p5 5s -s2p5 4d 2 13702.51 6229.50 fe xi s2p5 5s -s2p5 5d 2 15131.32 3857.00 fe xi s2p5 5s -s2p5 6d 2 10092.87 2657.00 fe xi s2p5 5s -s2p5 7d 2 7349.43 1977.71 fe xi s2p5 5s -s2p5 8d 2 5677.40 1550.16 fe xi s2p5 5s -s2p5 9d 2 4568.43 1259.90 fe xi s2p5 5s -sp6 4p 2 21493.72 7611.60 fe xi s2p5 5s -sp6 5p 2 33219.92 4659.43 fe xi s2p5 5s -sp6 6p 2 16901.46 3226.67 fe xi s2p5 5s -sp6 7p 2 11375.36 2414.39 fe xi s2p5 5s -sp6 8p 2 8463.67 1899.19 fe xi s2p5 5s -sp6 9p 2 6664.41 1546.96 fe xi s2p5 6s -s2p5 7s 2 0.00 1684.40 fe xi s2p5 6s -s2p5 8s 2 0.00 1320.20 fe xi s2p5 6s -s2p5 9s 2 0.00 1072.32 fe xi s2p5 6s -s2p5 3d 2 4164.25 4512.94 fe xi s2p5 6s -s2p5 4d 2 8296.34 4107.64 fe xi s2p5 6s -s2p5 5d 2 7710.78 2608.48 fe xi s2p5 6s -s2p5 6d 2 7408.97 1819.49 fe xi s2p5 6s -s2p5 7d 2 5565.45 1364.16 fe xi s2p5 6s -s2p5 8d 2 4361.52 1074.19 fe xi s2p5 6s -s2p5 9d 2 3538.68 875.78 fe xi s2p5 6s -sp6 4p 2 12516.03 5042.99 fe xi s2p5 6s -sp6 5p 2 13479.01 3150.08 fe xi s2p5 6s -sp6 6p 2 17714.25 2200.80 fe xi s2p5 6s -sp6 7p 2 10486.82 1654.64 fe xi s2p5 6s -sp6 8p 2 7582.23 1305.31 fe xi s2p5 6s -sp6 9p 2 5896.24 1065.23 fe xi s2p5 7s -s2p5 8s 2 0.00 986.72 fe xi s2p5 7s -s2p5 9s 2 0.00 802.18 fe xi s2p5 7s -s2p5 3d 2 2860.71 3063.41 fe xi s2p5 7s -s2p5 4d 2 5816.54 2992.82 fe xi s2p5 7s -s2p5 5d 2 5310.50 1925.68 fe xi s2p5 7s -s2p5 6d 2 4566.67 1351.82 fe xi s2p5 7s -s2p5 7d 2 4196.31 1017.25 fe xi s2p5 7s -s2p5 8d 2 3355.90 802.89 fe xi s2p5 7s -s2p5 9d 2 2748.63 655.61 fe xi s2p5 7s -sp6 4p 2 8629.55 3685.14 fe xi s2p5 7s -sp6 5p 2 8813.04 2326.40 fe xi s2p5 7s -sp6 6p 2 8605.35 1632.85 fe xi s2p5 7s -sp6 7p 2 10523.45 1230.67 fe xi s2p5 7s -sp6 8p 2 6849.31 972.31 fe xi s2p5 7s -sp6 9p 2 5200.27 794.25 fe xi s2p5 8s -s2p5 9s 2 0.00 630.49 fe xi s2p5 8s -s2p5 3d 2 2132.78 2265.88 fe xi s2p5 8s -s2p5 4d 2 4405.69 2315.47 fe xi s2p5 8s -s2p5 5d 2 3996.79 1501.49 fe xi s2p5 8s -s2p5 6d 2 3391.00 1058.00 fe xi s2p5 8s -s2p5 7d 2 2893.52 797.86 fe xi s2p5 8s -s2p5 8d 2 2615.92 630.58 fe xi s2p5 8s -s2p5 9d 2 2172.71 515.39 fe xi s2p5 8s -sp6 4p 2 6477.73 2856.53 fe xi s2p5 8s -sp6 5p 2 6473.18 1814.68 fe xi s2p5 8s -sp6 6p 2 6044.09 1277.16 fe xi s2p5 8s -sp6 7p 2 5749.95 964.01 fe xi s2p5 8s -sp6 8p 2 6747.16 762.30 fe xi s2p5 8s -sp6 9p 2 4687.90 623.06 fe xi s2p5 9s -s2p5 3d 2 1675.71 1770.52 fe xi s2p5 9s -s2p5 4d 2 3502.43 1864.98 fe xi s2p5 9s -s2p5 5d 2 3167.76 1215.44 fe xi s2p5 9s -s2p5 6d 2 2672.97 858.50 fe xi s2p5 9s -s2p5 7d 2 2258.78 648.30 fe xi s2p5 9s -s2p5 8d 2 1939.58 512.82 fe xi s2p5 9s -s2p5 9d 2 1744.94 419.38 fe xi s2p5 9s -sp6 4p 2 5121.51 2303.73 fe xi s2p5 9s -sp6 5p 2 5059.21 1469.45 fe xi s2p5 9s -sp6 6p 2 4635.24 1036.01 fe xi s2p5 9s -sp6 7p 2 4245.40 782.72 fe xi s2p5 9s -sp6 8p 2 4008.47 619.30 fe xi s2p5 9s -sp6 9p 2 4578.95 506.37 fe xi s2p5 3d -s2p5 4d 4 0.00 22118.36 18050.07 15739.16 fe xi s2p5 3d -s2p5 5d 4 0.00 9479.17 5193.19 5675.03 fe xi s2p5 3d -s2p5 6d 4 0.00 5325.69 1765.30 2640.96 fe xi s2p5 3d -s2p5 7d 4 0.00 3477.85 557.23 1430.40 fe xi s2p5 3d -s2p5 8d 4 0.00 2491.73 64.57 856.54 fe xi s2p5 3d -s2p5 9d 4 0.00 1898.82 -150.95 551.11 fe xi s2p5 3d -s2p5 5g 2 9321.44 6655.09 fe xi s2p5 3d -s2p5 6g 2 9208.57 6694.42 fe xi s2p5 3d -s2p5 7g 2 8181.25 6006.84 fe xi s2p5 3d -s2p5 8g 2 7114.10 5255.23 fe xi s2p5 3d -s2p5 9g 2 6182.97 4585.86 fe xi s2p5 3d -sp6 4p 2 21877.34 24086.18 fe xi s2p5 3d -sp6 5p 2 10492.76 10179.66 fe xi s2p5 3d -sp6 6p 2 6531.56 5826.39 fe xi s2p5 3d -sp6 7p 2 4612.00 3886.99 fe xi s2p5 3d -sp6 8p 2 3501.79 2836.99 fe xi s2p5 3d -sp6 9p 2 2786.80 2194.75 fe xi s2p5 3d -sp6 4f 2 -68803.51 -38082.23 fe xi s2p5 3d -sp6 5f 2 -49234.51 -28811.22 fe xi s2p5 3d -sp6 6f 2 -36414.58 -21825.45 fe xi s2p5 3d -sp6 7f 2 -28341.47 -17199.17 fe xi s2p5 3d -sp6 8f 2 -22892.40 -13994.44 fe xi s2p5 3d -sp6 9f 2 -19005.90 -11673.28 fe xi s2p5 4d -s2p5 5d 4 0.00 17970.84 5832.43 6219.19 fe xi s2p5 4d -s2p5 6d 4 0.00 11308.90 3884.46 4232.41 fe xi s2p5 4d -s2p5 7d 4 0.00 8050.53 2836.19 3128.44 fe xi s2p5 4d -s2p5 8d 4 0.00 6149.45 2196.22 2441.30 fe xi s2p5 4d -s2p5 9d 4 0.00 4916.58 1770.45 1978.24 fe xi s2p5 4d -s2p5 5g 2 -12242.18 -863.18 fe xi s2p5 4d -s2p5 6g 2 -9436.71 -748.83 fe xi s2p5 4d -s2p5 7g 2 -7271.48 -608.94 fe xi s2p5 4d -s2p5 8g 2 -5774.30 -497.55 fe xi s2p5 4d -s2p5 9g 2 -4717.85 -413.36 fe xi s2p5 4d -sp6 4p 2 64571.68 10814.32 fe xi s2p5 4d -sp6 5p 2 18759.52 6175.24 fe xi s2p5 4d -sp6 6p 2 11242.91 4142.96 fe xi s2p5 4d -sp6 7p 2 7871.12 3046.19 fe xi s2p5 4d -sp6 8p 2 5966.11 2370.50 fe xi s2p5 4d -sp6 9p 2 4748.98 1917.19 fe xi s2p5 4d -sp6 4f 2 39041.49 -832.49 fe xi s2p5 4d -sp6 5f 2 3530.16 -1660.20 fe xi s2p5 4d -sp6 6f 2 -2232.41 -1661.04 fe xi s2p5 4d -sp6 7f 2 -3415.45 -1493.34 fe xi s2p5 4d -sp6 8f 2 -3503.26 -1310.04 fe xi s2p5 4d -sp6 9f 2 -3290.44 -1146.12 fe xi s2p5 5d -s2p5 6d 4 0.00 9797.09 2576.06 2874.05 fe xi s2p5 5d -s2p5 7d 4 0.00 7008.95 1930.81 2171.41 fe xi s2p5 5d -s2p5 8d 4 0.00 5379.11 1520.31 1718.12 fe xi s2p5 5d -s2p5 9d 4 0.00 4316.09 1239.53 1405.32 fe xi s2p5 5d -s2p5 5g 2 -1089.55 -874.25 fe xi s2p5 5d -s2p5 6g 2 -3902.10 -817.36 fe xi s2p5 5d -s2p5 7g 2 -3844.56 -700.07 fe xi s2p5 5d -s2p5 8g 2 -3400.17 -593.61 fe xi s2p5 5d -s2p5 9g 2 -2951.88 -506.75 fe xi s2p5 5d -sp6 4p 2 25998.46 5997.91 fe xi s2p5 5d -sp6 5p 2 29747.67 3686.37 fe xi s2p5 5d -sp6 6p 2 11759.18 2550.63 fe xi s2p5 5d -sp6 7p 2 7848.26 1906.58 fe xi s2p5 5d -sp6 8p 2 5832.01 1498.53 fe xi s2p5 5d -sp6 9p 2 4593.51 1219.89 fe xi s2p5 5d -sp6 4f 2 12249.67 1487.01 fe xi s2p5 5d -sp6 5f 2 19667.73 498.81 fe xi s2p5 5d -sp6 6f 2 6833.03 124.11 fe xi s2p5 5d -sp6 7f 2 3140.66 -20.09 fe xi s2p5 5d -sp6 8f 2 1617.44 -77.61 fe xi s2p5 5d -sp6 9f 2 881.12 -99.37 fe xi s2p5 6d -s2p5 7d 4 0.00 5718.19 1387.81 1576.40 fe xi s2p5 6d -s2p5 8d 4 0.00 4387.97 1100.29 1254.67 fe xi s2p5 6d -s2p5 9d 4 0.00 3524.10 901.20 1030.27 fe xi s2p5 6d -s2p5 5g 2 -965.72 -703.74 fe xi s2p5 6d -s2p5 6g 2 -927.63 -669.63 fe xi s2p5 6d -s2p5 7g 2 -1724.96 -580.09 fe xi s2p5 6d -s2p5 8g 2 -1787.34 -495.68 fe xi s2p5 6d -s2p5 9g 2 -1669.13 -425.45 fe xi s2p5 6d -sp6 4p 2 15189.40 3909.01 fe xi s2p5 6d -sp6 5p 2 16076.81 2497.09 fe xi s2p5 6d -sp6 6p 2 16020.81 1754.42 fe xi s2p5 6d -sp6 7p 2 7552.63 1321.93 fe xi s2p5 6d -sp6 8p 2 5388.60 1043.96 fe xi s2p5 6d -sp6 9p 2 4170.98 852.47 fe xi s2p5 6d -sp6 4f 2 7578.58 1652.47 fe xi s2p5 6d -sp6 5f 2 8082.65 828.12 fe xi s2p5 6d -sp6 6f 2 11082.95 453.31 fe xi s2p5 6d -sp6 7f 2 5425.16 275.73 fe xi s2p5 6d -sp6 8f 2 3334.82 181.80 fe xi s2p5 6d -sp6 9f 2 2275.31 127.52 fe xi s2p5 7d -s2p5 8d 4 0.00 3598.45 841.99 964.98 fe xi s2p5 7d -s2p5 9d 4 0.00 2887.56 691.33 794.07 fe xi s2p5 7d -s2p5 5g 2 -699.64 -565.96 fe xi s2p5 7d -s2p5 6g 2 -807.15 -542.80 fe xi s2p5 7d -s2p5 7g 2 -697.77 -472.57 fe xi s2p5 7d -s2p5 8g 2 -947.77 -405.16 fe xi s2p5 7d -s2p5 9g 2 -972.46 -348.58 fe xi s2p5 7d -sp6 4p 2 10354.90 2814.98 fe xi s2p5 7d -sp6 5p 2 10857.57 1840.87 fe xi s2p5 7d -sp6 6p 2 10041.10 1305.05 fe xi s2p5 7d -sp6 7p 2 9592.02 987.89 fe xi s2p5 7d -sp6 8p 2 5082.38 782.29 fe xi s2p5 7d -sp6 9p 2 3799.83 639.92 fe xi s2p5 7d -sp6 4f 2 5421.41 1495.81 fe xi s2p5 7d -sp6 5f 2 5486.23 822.33 fe xi s2p5 7d -sp6 6f 2 5296.76 494.11 fe xi s2p5 7d -sp6 7f 2 6830.32 328.74 fe xi s2p5 7d -sp6 8f 2 3964.35 235.75 fe xi s2p5 7d -sp6 9f 2 2739.49 178.62 fe xi s2p5 8d -s2p5 9d 4 0.00 2404.82 552.19 636.08 fe xi s2p5 8d -s2p5 5g 2 -536.64 -464.28 fe xi s2p5 8d -s2p5 6g 2 -625.52 -447.24 fe xi s2p5 8d -s2p5 7g 2 -607.88 -390.45 fe xi s2p5 8d -s2p5 8g 2 -515.79 -335.37 fe xi s2p5 8d -s2p5 9g 2 -594.83 -288.91 fe xi s2p5 8d -sp6 4p 2 7692.29 2159.55 fe xi s2p5 8d -sp6 5p 2 8061.91 1434.13 fe xi s2p5 8d -sp6 6p 2 7335.71 1022.58 fe xi s2p5 8d -sp6 7p 2 6578.45 776.34 fe xi s2p5 8d -sp6 8p 2 6188.32 615.84 fe xi s2p5 8d -sp6 9p 2 3567.12 504.32 fe xi s2p5 8d -sp6 4f 2 4172.11 1304.02 fe xi s2p5 8d -sp6 5f 2 4132.19 746.70 fe xi s2p5 8d -sp6 6f 2 3807.07 465.10 fe xi s2p5 8d -sp6 7f 2 3620.43 319.05 fe xi s2p5 8d -sp6 8f 2 4497.58 234.71 fe xi s2p5 8d -sp6 9f 2 2895.49 181.63 fe xi s2p5 9d -s2p5 5g 2 -429.78 -388.62 fe xi s2p5 9d -s2p5 6g 2 -501.94 -375.39 fe xi s2p5 9d -s2p5 7g 2 -491.81 -328.29 fe xi s2p5 9d -s2p5 8g 2 -452.38 -282.30 fe xi s2p5 9d -s2p5 9g 2 -384.77 -243.38 fe xi s2p5 9d -sp6 4p 2 6033.89 1729.46 fe xi s2p5 9d -sp6 5p 2 6332.58 1160.78 fe xi s2p5 9d -sp6 6p 2 5724.93 830.93 fe xi s2p5 9d -sp6 7p 2 5058.33 632.10 fe xi s2p5 9d -sp6 8p 2 4510.10 502.01 fe xi s2p5 9d -sp6 9p 2 4220.70 411.41 fe xi s2p5 9d -sp6 4f 2 3357.99 1132.02 fe xi s2p5 9d -sp6 5f 2 3288.12 662.97 fe xi s2p5 9d -sp6 6f 2 2970.35 420.77 fe xi s2p5 9d -sp6 7f 2 2711.39 293.05 fe xi s2p5 9d -sp6 8f 2 2574.49 218.22 fe xi s2p5 9d -sp6 9f 2 3114.87 170.52 fe xi s2p5 5g -s2p5 6g 4 0.00 5499.87 946.17 668.30 fe xi s2p5 5g -s2p5 7g 4 0.00 3873.60 827.93 585.23 fe xi s2p5 5g -s2p5 8g 4 0.00 2950.83 712.68 503.95 fe xi s2p5 5g -s2p5 9g 4 0.00 2357.21 615.05 435.01 fe xi s2p5 5g -s2p5 7i 2 1579.46 15.92 fe xi s2p5 5g -s2p5 8i 2 1568.45 19.76 fe xi s2p5 5g -s2p5 9i 2 1423.40 20.58 fe xi s2p5 5g -sp6 4f 2 -30128.34 -3934.06 fe xi s2p5 5g -sp6 5f 2 3197.00 -2669.90 fe xi s2p5 5g -sp6 6f 2 417.92 -1907.45 fe xi s2p5 5g -sp6 7f 2 186.45 -1451.59 fe xi s2p5 5g -sp6 8f 2 117.66 -1154.89 fe xi s2p5 5g -sp6 9f 2 86.06 -948.71 fe xi s2p5 6g -s2p5 7g 4 0.00 3907.86 803.89 569.80 fe xi s2p5 6g -s2p5 8g 4 0.00 2999.09 693.05 491.53 fe xi s2p5 6g -s2p5 9g 4 0.00 2407.98 598.73 424.79 fe xi s2p5 6g -s2p5 7i 2 -388.01 14.66 fe xi s2p5 6g -s2p5 8i 2 125.80 18.23 fe xi s2p5 6g -s2p5 9i 2 316.82 19.02 fe xi s2p5 6g -sp6 4f 2 -22598.70 -3883.13 fe xi s2p5 6g -sp6 5f 2 -9048.47 -2658.71 fe xi s2p5 6g -sp6 6f 2 2237.99 -1907.92 fe xi s2p5 6g -sp6 7f 2 372.56 -1455.69 fe xi s2p5 6g -sp6 8f 2 163.98 -1160.04 fe xi s2p5 6g -sp6 9f 2 96.84 -953.99 fe xi s2p5 7g -s2p5 8g 4 0.00 2684.99 609.31 432.78 fe xi s2p5 7g -s2p5 9g 4 0.00 2163.35 526.70 374.28 fe xi s2p5 7g -s2p5 7i 2 -7.62 12.47 fe xi s2p5 7g -s2p5 8i 2 -210.60 15.53 fe xi s2p5 7g -s2p5 9i 2 -70.62 16.21 fe xi s2p5 7g -sp6 4f 2 -17486.20 -3444.96 fe xi s2p5 7g -sp6 5f 2 -8994.78 -2370.87 fe xi s2p5 7g -sp6 6f 2 -3202.09 -1705.79 fe xi s2p5 7g -sp6 7f 2 1502.02 -1303.43 fe xi s2p5 7g -sp6 8f 2 311.77 -1039.69 fe xi s2p5 7g -sp6 9f 2 146.62 -855.57 fe xi s2p5 8g -s2p5 9g 4 0.00 1886.02 454.92 323.56 fe xi s2p5 8g -s2p5 7i 2 -2.38 10.54 fe xi s2p5 8g -s2p5 8i 2 -8.31 13.13 fe xi s2p5 8g -s2p5 9i 2 -113.52 13.72 fe xi s2p5 8g -sp6 4f 2 -14014.77 -2991.85 fe xi s2p5 8g -sp6 5f 2 -7917.40 -2065.76 fe xi s2p5 8g -sp6 6f 2 -3810.07 -1488.73 fe xi s2p5 8g -sp6 7f 2 -1246.93 -1138.66 fe xi s2p5 8g -sp6 8f 2 1035.32 -908.81 fe xi s2p5 8g -sp6 9f 2 257.53 -748.17 fe xi s2p5 9g -s2p5 7i 2 -0.19 8.98 fe xi s2p5 9g -s2p5 8i 2 -3.82 11.20 fe xi s2p5 9g -s2p5 9i 2 -7.65 11.70 fe xi s2p5 9g -sp6 4f 2 -11554.44 -2597.69 fe xi s2p5 9g -sp6 5f 2 -6852.38 -1797.56 fe xi s2p5 9g -sp6 6f 2 -3667.39 -1296.89 fe xi s2p5 9g -sp6 7f 2 -1752.79 -992.57 fe xi s2p5 9g -sp6 8f 2 -493.90 -792.54 fe xi s2p5 9g -sp6 9f 2 738.09 -652.63 fe xi s2p5 7i -s2p5 8i 4 0.00 610.87 0.66 0.51 fe xi s2p5 7i -s2p5 9i 4 0.00 424.69 0.68 0.52 fe xi s2p5 8i -s2p5 9i 4 0.00 507.10 0.83 0.64 fe xi sp6 4p -sp6 5p 2 0.00 7597.16 fe xi sp6 4p -sp6 6p 2 0.00 5095.94 fe xi sp6 4p -sp6 7p 2 0.00 3748.31 fe xi sp6 4p -sp6 8p 2 0.00 2918.03 fe xi sp6 4p -sp6 9p 2 0.00 2360.79 fe xi sp6 5p -sp6 6p 2 0.00 3113.60 fe xi sp6 5p -sp6 7p 2 0.00 2318.31 fe xi sp6 5p -sp6 8p 2 0.00 1818.26 fe xi sp6 5p -sp6 9p 2 0.00 1478.24 fe xi sp6 6p -sp6 7p 2 0.00 1614.16 fe xi sp6 6p -sp6 8p 2 0.00 1270.01 fe xi sp6 6p -sp6 9p 2 0.00 1034.66 fe xi sp6 7p -sp6 8p 2 0.00 954.86 fe xi sp6 7p -sp6 9p 2 0.00 778.77 fe xi sp6 8p -sp6 9p 2 0.00 614.80 fe xi sp6 4f -sp6 5f 2 0.00 13436.09 fe xi sp6 4f -sp6 6f 2 0.00 9917.51 fe xi sp6 4f -sp6 7f 2 0.00 7695.12 fe xi sp6 4f -sp6 8f 2 0.00 6199.09 fe xi sp6 4f -sp6 9f 2 0.00 5135.83 fe xi sp6 5f -sp6 6f 2 0.00 7335.69 fe xi sp6 5f -sp6 7f 2 0.00 5719.60 fe xi sp6 5f -sp6 8f 2 0.00 4621.81 fe xi sp6 5f -sp6 9f 2 0.00 3837.00 fe xi sp6 6f -sp6 7f 2 0.00 4286.71 fe xi sp6 6f -sp6 8f 2 0.00 3469.44 fe xi sp6 6f -sp6 9f 2 0.00 2883.39 fe xi sp6 7f -sp6 8f 2 0.00 2718.33 fe xi sp6 7f -sp6 9f 2 0.00 2260.56 fe xi sp6 8f -sp6 9f 2 0.00 1833.05