1 83434835350 1 3 1000.0000 7 0 0 s 2 p 6 p 0 f 0 h 0 k 0 s 0 d 0 mg iii s2p6 e= -43778.34341 s 2 p 5 p 1 f 0 h 0 k 0 s 0 d 0 mg iii s2p5 3p e= -43309.62842 s 2 p 5 p 1 f 0 h 0 k 0 s 0 d 0 mg iii s2p5 4p e= -43221.21648 s 2 p 5 p 1 f 0 h 0 k 0 s 0 d 0 mg iii s2p5 5p e= -43187.15991 s 2 p 5 p 1 f 0 h 0 k 0 s 0 d 0 mg iii s2p5 6p e= -43170.28997 s 2 p 5 p 1 f 0 h 0 k 0 s 0 d 0 mg iii s2p5 7p e= -43160.69134 s 2 p 5 p 1 f 0 h 0 k 0 s 0 d 0 mg iii s2p5 8p e= -43154.70848 s 2 p 5 p 1 f 0 h 0 k 0 s 0 d 0 mg iii s2p5 9p e= -43150.72753 s 2 p 5 p 0 f 1 h 0 k 0 s 0 d 0 mg iii s2p5 4f e= -43198.88114 s 2 p 5 p 0 f 1 h 0 k 0 s 0 d 0 mg iii s2p5 5f e= -43176.54956 s 2 p 5 p 0 f 1 h 0 k 0 s 0 d 0 mg iii s2p5 6f e= -43164.41037 s 2 p 5 p 0 f 1 h 0 k 0 s 0 d 0 mg iii s2p5 7f e= -43157.09266 s 2 p 5 p 0 f 1 h 0 k 0 s 0 d 0 mg iii s2p5 8f e= -43152.34576 s 2 p 5 p 0 f 1 h 0 k 0 s 0 d 0 mg iii s2p5 9f e= -43149.09254 s 2 p 5 p 0 f 0 h 1 k 0 s 0 d 0 mg iii s2p5 6h e= -43164.29977 s 2 p 5 p 0 f 0 h 1 k 0 s 0 d 0 mg iii s2p5 7h e= -43157.02144 s 2 p 5 p 0 f 0 h 1 k 0 s 0 d 0 mg iii s2p5 8h e= -43152.29734 s 2 p 5 p 0 f 0 h 1 k 0 s 0 d 0 mg iii s2p5 9h e= -43149.05839 s 2 p 5 p 0 f 0 h 0 k 1 s 0 d 0 mg iii s2p5 8k e= -43152.29637 s 2 p 5 p 0 f 0 h 0 k 1 s 0 d 0 mg iii s2p5 9k e= -43149.05769 s 1 p 6 p 0 f 0 h 0 k 0 s 1 d 0 mg iii sp6 3s e= -43024.67608 s 1 p 6 p 0 f 0 h 0 k 0 s 1 d 0 mg iii sp6 4s e= -42905.00112 s 1 p 6 p 0 f 0 h 0 k 0 s 1 d 0 mg iii sp6 5s e= -42862.42555 s 1 p 6 p 0 f 0 h 0 k 0 s 1 d 0 mg iii sp6 6s e= -42842.28934 s 1 p 6 p 0 f 0 h 0 k 0 s 1 d 0 mg iii sp6 7s e= -42831.17513 s 1 p 6 p 0 f 0 h 0 k 0 s 1 d 0 mg iii sp6 8s e= -42824.39436 s 1 p 6 p 0 f 0 h 0 k 0 s 1 d 0 mg iii sp6 9s e= -42819.95382 s 1 p 6 p 0 f 0 h 0 k 0 s 0 d 1 mg iii sp6 3d e= -42920.45900 s 1 p 6 p 0 f 0 h 0 k 0 s 0 d 1 mg iii sp6 4d e= -42869.32394 s 1 p 6 p 0 f 0 h 0 k 0 s 0 d 1 mg iii sp6 5d e= -42845.92301 s 1 p 6 p 0 f 0 h 0 k 0 s 0 d 1 mg iii sp6 6d e= -42833.31271 s 1 p 6 p 0 f 0 h 0 k 0 s 0 d 1 mg iii sp6 7d e= -42825.75413 s 1 p 6 p 0 f 0 h 0 k 0 s 0 d 1 mg iii sp6 8d e= -42820.87128 s 1 p 6 p 0 f 0 h 0 k 0 s 0 d 1 mg iii sp6 9d e= -42817.53555 s 2 p 5 s 1 d 0 g 0 i 0 p 0 f 0 mg iii s2p5 3s e= -43358.65873 s 2 p 5 s 1 d 0 g 0 i 0 p 0 f 0 mg iii s2p5 4s e= -43237.37082 s 2 p 5 s 1 d 0 g 0 i 0 p 0 f 0 mg iii s2p5 5s e= -43194.43458 s 2 p 5 s 1 d 0 g 0 i 0 p 0 f 0 mg iii s2p5 6s e= -43174.17307 s 2 p 5 s 1 d 0 g 0 i 0 p 0 f 0 mg iii s2p5 7s e= -43163.00402 s 2 p 5 s 1 d 0 g 0 i 0 p 0 f 0 mg iii s2p5 8s e= -43156.19535 s 2 p 5 s 1 d 0 g 0 i 0 p 0 f 0 mg iii s2p5 9s e= -43151.73916 s 2 p 5 s 0 d 1 g 0 i 0 p 0 f 0 mg iii s2p5 3d e= -43251.90330 s 2 p 5 s 0 d 1 g 0 i 0 p 0 f 0 mg iii s2p5 4d e= -43200.94030 s 2 p 5 s 0 d 1 g 0 i 0 p 0 f 0 mg iii s2p5 5d e= -43177.60503 s 2 p 5 s 0 d 1 g 0 i 0 p 0 f 0 mg iii s2p5 6d e= -43165.02463 s 2 p 5 s 0 d 1 g 0 i 0 p 0 f 0 mg iii s2p5 7d e= -43157.48133 s 2 p 5 s 0 d 1 g 0 i 0 p 0 f 0 mg iii s2p5 8d e= -43152.60712 s 2 p 5 s 0 d 1 g 0 i 0 p 0 f 0 mg iii s2p5 9d e= -43149.27663 s 2 p 5 s 0 d 0 g 1 i 0 p 0 f 0 mg iii s2p5 5g e= -43176.38864 s 2 p 5 s 0 d 0 g 1 i 0 p 0 f 0 mg iii s2p5 6g e= -43164.31547 s 2 p 5 s 0 d 0 g 1 i 0 p 0 f 0 mg iii s2p5 7g e= -43157.03275 s 2 p 5 s 0 d 0 g 1 i 0 p 0 f 0 mg iii s2p5 8g e= -43152.30573 s 2 p 5 s 0 d 0 g 1 i 0 p 0 f 0 mg iii s2p5 9g e= -43149.06460 s 2 p 5 s 0 d 0 g 0 i 1 p 0 f 0 mg iii s2p5 7i e= -43157.02050 s 2 p 5 s 0 d 0 g 0 i 1 p 0 f 0 mg iii s2p5 8i e= -43152.29632 s 2 p 5 s 0 d 0 g 0 i 1 p 0 f 0 mg iii s2p5 9i e= -43149.05768 s 1 p 6 s 0 d 0 g 0 i 0 p 1 f 0 mg iii sp6 3p e= -42978.71179 s 1 p 6 s 0 d 0 g 0 i 0 p 1 f 0 mg iii sp6 4p e= -42889.71763 s 1 p 6 s 0 d 0 g 0 i 0 p 1 f 0 mg iii sp6 5p e= -42855.51741 s 1 p 6 s 0 d 0 g 0 i 0 p 1 f 0 mg iii sp6 6p e= -42838.59479 s 1 p 6 s 0 d 0 g 0 i 0 p 1 f 0 mg iii sp6 7p e= -42828.97233 s 1 p 6 s 0 d 0 g 0 i 0 p 1 f 0 mg iii sp6 8p e= -42822.97713 s 1 p 6 s 0 d 0 g 0 i 0 p 1 f 0 mg iii sp6 9p e= -42818.98906 s 1 p 6 s 0 d 0 g 0 i 0 p 0 f 1 mg iii sp6 4f e= -42867.14512 s 1 p 6 s 0 d 0 g 0 i 0 p 0 f 1 mg iii sp6 5f e= -42844.80637 s 1 p 6 s 0 d 0 g 0 i 0 p 0 f 1 mg iii sp6 6f e= -42832.66316 s 1 p 6 s 0 d 0 g 0 i 0 p 0 f 1 mg iii sp6 7f e= -42825.34329 s 1 p 6 s 0 d 0 g 0 i 0 p 0 f 1 mg iii sp6 8f e= -42820.59513 s 1 p 6 s 0 d 0 g 0 i 0 p 0 f 1 mg iii sp6 9f e= -42817.34104 mg iii s2p6 1 0.00E mg iii s2p5 3p 6 468714.99E 1519.87z 133.93z 17123.58f 9274.35g 7703.00g mg iii s2p5 4p 6 557126.94E 1528.07z 47.12z 5478.47f 2931.40g 2545.92g mg iii s2p5 5p 6 591183.50E 1530.40z 21.75z 2431.07f 1298.54g 1147.93g mg iii s2p5 6p 6 608053.44E 1531.30z 11.76z 1288.89f 688.15g 613.79g mg iii s2p5 7p 6 617652.07E 1531.73z 7.07z 765.19f 408.48g 366.21g mg iii s2p5 8p 6 623634.93E 1531.95z 4.57z 491.36f 262.28g 235.90g mg iii s2p5 9p 6 627615.88E 1532.08z 3.13z 334.27f 178.42g 160.82g mg iii s2p5 4f 6 579462.27E 1532.33z 0.21z 1112.55f 32.38g 20.76g mg iii s2p5 5f 6 601793.85E 1532.34z 0.10z 575.42f 26.67g 17.13g mg iii s2p5 6f 6 613933.04E 1532.34z 0.06z 335.49f 19.00g 12.21g mg iii s2p5 7f 6 621250.75E 1532.35z 0.04z 212.43f 13.42g 8.63g mg iii s2p5 8f 6 625997.66E 1532.35z 0.03z 142.91f 9.65g 6.21g mg iii s2p5 9f 6 629250.87E 1532.35z 0.02z 100.70f 7.12g 4.58g mg iii s2p5 6h 6 614043.64E 1532.36z 0.02z 83.16f 0.00g 0.00g mg iii s2p5 7h 6 621321.98E 1532.36z 0.02z 52.37f 0.00g 0.00g mg iii s2p5 8h 6 626046.07E 1532.36z 0.01z 35.08f 0.00g 0.00g mg iii s2p5 9h 6 629285.02E 1532.36z 0.01z 24.64f 0.00g 0.00g mg iii s2p5 8k 6 626047.04E 1532.36z 0.01z 13.78f 0.00g 0.00g mg iii s2p5 9k 6 629285.72E 1532.36z 0.00z 9.68f 0.00g 0.00g mg iii sp6 3s 2 753667.33E 8036.07g mg iii sp6 4s 2 873342.29E 2214.06g mg iii sp6 5s 2 915917.86E 916.98g mg iii sp6 6s 2 936054.07E 467.43g mg iii sp6 7s 2 947168.28E 270.51g mg iii sp6 8s 2 953949.05E 170.59g mg iii sp6 9s 2 958389.59E 114.49g mg iii sp6 3d 3 857884.41E 1.53z 3068.95g mg iii sp6 4d 3 909019.47E 0.75z 1729.95g mg iii sp6 5d 3 932420.40E 0.40z 962.18g mg iii sp6 6d 3 945030.71E 0.23z 573.98g mg iii sp6 7d 3 952589.28E 0.15z 365.98g mg iii sp6 8d 3 957472.13E 0.10z 246.46g mg iii sp6 9d 3 960807.86E 0.07z 173.43g mg iii s2p6 - s2p5 3p 2 5547.07 23787.84 mg iii s2p6 - s2p5 4p 2 3026.36 12867.64 mg iii s2p6 - s2p5 5p 2 1988.40 8424.95 mg iii s2p6 - s2p5 6p 2 1437.82 6081.38 mg iii s2p6 - s2p5 7p 2 1103.41 4662.28 mg iii s2p6 - s2p5 8p 2 881.97 3724.24 mg iii s2p6 - s2p5 9p 2 726.20 3065.18 mg iii s2p6 - s2p5 4f 1 1119.51 mg iii s2p6 - s2p5 5f 1 1034.31 mg iii s2p6 - s2p5 6f 1 880.98 mg iii s2p6 - s2p5 7f 1 744.39 mg iii s2p6 - s2p5 8f 1 633.67 mg iii s2p6 - s2p5 9f 1 545.33 mg iii s2p6 - sp6 3s 1 9580.11 mg iii s2p6 - sp6 4s 1 4867.26 mg iii s2p6 - sp6 5s 1 3091.46 mg iii s2p6 - sp6 6s 1 2192.78 mg iii s2p6 - sp6 7s 1 1661.88 mg iii s2p6 - sp6 8s 1 1316.67 mg iii s2p6 - sp6 9s 1 1076.98 mg iii s2p5 3p - s2p5 4p 4 0.00 8414.94 5204.27 4411.49 mg iii s2p5 3p - s2p5 5p 4 0.00 5399.11 3457.80 2952.08 mg iii s2p5 3p - s2p5 6p 4 0.00 3865.08 2514.52 2154.11 mg iii s2p5 3p - s2p5 7p 4 0.00 2950.32 1936.02 1661.71 mg iii s2p5 3p - s2p5 8p 4 0.00 2350.55 1550.67 1332.55 mg iii s2p5 3p - s2p5 9p 4 0.00 1931.23 1278.57 1099.59 mg iii s2p5 3p - s2p5 4f 2 -2120.65 -82.12 mg iii s2p5 3p - s2p5 5f 2 -1727.03 -71.23 mg iii s2p5 3p - s2p5 6f 2 -1379.05 -58.60 mg iii s2p5 3p - s2p5 7f 2 -1121.71 -48.48 mg iii s2p5 3p - s2p5 8f 2 -931.72 -40.69 mg iii s2p5 3p - s2p5 9f 2 -788.43 -34.68 mg iii s2p5 3p - sp6 3s 2 36597.81 8404.35 mg iii s2p5 3p - sp6 4s 2 11134.87 4402.38 mg iii s2p5 3p - sp6 5s 2 6592.79 2828.05 mg iii s2p5 3p - sp6 6s 2 4545.88 2017.04 mg iii s2p5 3p - sp6 7s 2 3395.33 1533.44 mg iii s2p5 3p - sp6 8s 2 2666.75 1217.25 mg iii s2p5 3p - sp6 9s 2 2168.93 996.92 mg iii s2p5 3p - sp6 3d 2 19998.23 -688.95 mg iii s2p5 3p - sp6 4d 2 8967.85 -630.28 mg iii s2p5 3p - sp6 5d 2 5319.77 -508.79 mg iii s2p5 3p - sp6 6d 2 3622.42 -409.05 mg iii s2p5 3p - sp6 7d 2 2677.13 -334.30 mg iii s2p5 3p - sp6 8d 2 2087.33 -278.40 mg iii s2p5 3p - sp6 9d 2 1689.58 -235.88 mg iii s2p5 4p - s2p5 5p 4 0.00 3456.65 1950.49 1708.61 mg iii s2p5 4p - s2p5 6p 4 0.00 2469.94 1419.41 1248.54 mg iii s2p5 4p - s2p5 7p 4 0.00 1884.61 1093.30 963.92 mg iii s2p5 4p - s2p5 8p 4 0.00 1501.39 875.91 773.37 mg iii s2p5 4p - s2p5 9p 4 0.00 1233.60 722.33 638.39 mg iii s2p5 4p - s2p5 4f 2 -44.76 -58.20 mg iii s2p5 4p - s2p5 5f 2 -343.02 -51.40 mg iii s2p5 4p - s2p5 6f 2 -360.28 -42.73 mg iii s2p5 4p - s2p5 7f 2 -328.01 -35.57 mg iii s2p5 4p - s2p5 8f 2 -289.44 -29.98 mg iii s2p5 4p - s2p5 9f 2 -254.20 -25.63 mg iii s2p5 4p - sp6 3s 2 15940.64 4712.52 mg iii s2p5 4p - sp6 4s 2 12247.49 2478.50 mg iii s2p5 4p - sp6 5s 2 5235.76 1594.43 mg iii s2p5 4p - sp6 6s 2 3478.10 1137.95 mg iii s2p5 4p - sp6 7s 2 2558.71 865.44 mg iii s2p5 4p - sp6 8s 2 1993.86 687.14 mg iii s2p5 4p - sp6 9s 2 1614.07 562.85 mg iii s2p5 4p - sp6 3d 2 4596.38 -215.03 mg iii s2p5 4p - sp6 4d 2 7355.97 -222.45 mg iii s2p5 4p - sp6 5d 2 4460.28 -187.02 mg iii s2p5 4p - sp6 6d 2 3100.25 -153.25 mg iii s2p5 4p - sp6 7d 2 2324.67 -126.58 mg iii s2p5 4p - sp6 8d 2 1831.42 -106.11 mg iii s2p5 4p - sp6 9d 2 1493.84 -90.30 mg iii s2p5 5p - s2p5 6p 4 0.00 1723.38 945.24 839.29 mg iii s2p5 5p - s2p5 7p 4 0.00 1313.73 728.18 648.16 mg iii s2p5 5p - s2p5 8p 4 0.00 1046.36 583.45 520.13 mg iii s2p5 5p - s2p5 9p 4 0.00 859.69 481.18 429.40 mg iii s2p5 5p - s2p5 4f 2 -114.12 -41.62 mg iii s2p5 5p - s2p5 5f 2 -66.17 -36.94 mg iii s2p5 5p - s2p5 6f 2 -117.73 -30.79 mg iii s2p5 5p - s2p5 7f 2 -124.48 -25.67 mg iii s2p5 5p - s2p5 8f 2 -117.85 -21.67 mg iii s2p5 5p - s2p5 9f 2 -107.75 -18.53 mg iii s2p5 5p - sp6 3s 2 9848.50 3129.98 mg iii s2p5 5p - sp6 4s 2 6996.19 1648.77 mg iii s2p5 5p - sp6 5s 2 5472.46 1061.25 mg iii s2p5 5p - sp6 6s 2 2820.28 757.62 mg iii s2p5 5p - sp6 7s 2 2015.72 576.27 mg iii s2p5 5p - sp6 8s 2 1551.84 457.58 mg iii s2p5 5p - sp6 9s 2 1248.13 374.84 mg iii s2p5 5p - sp6 3d 2 2741.15 -99.52 mg iii s2p5 5p - sp6 4d 2 2627.35 -114.52 mg iii s2p5 5p - sp6 5d 2 3456.23 -99.23 mg iii s2p5 5p - sp6 6d 2 2389.77 -82.42 mg iii s2p5 5p - sp6 7d 2 1797.23 -68.58 mg iii s2p5 5p - sp6 8d 2 1419.73 -57.75 mg iii s2p5 5p - sp6 9d 2 1160.48 -49.29 mg iii s2p5 6p - s2p5 7p 4 0.00 978.13 530.17 474.09 mg iii s2p5 6p - s2p5 8p 4 0.00 778.61 424.82 380.48 mg iii s2p5 6p - s2p5 9p 4 0.00 639.61 350.37 314.13 mg iii s2p5 6p - s2p5 4f 2 -84.51 -31.31 mg iii s2p5 6p - s2p5 5f 2 -79.22 -27.85 mg iii s2p5 6p - s2p5 6f 2 -52.27 -23.24 mg iii s2p5 6p - s2p5 7f 2 -60.65 -19.39 mg iii s2p5 6p - s2p5 8f 2 -60.52 -16.38 mg iii s2p5 6p - s2p5 9f 2 -57.07 -14.01 mg iii s2p5 6p - sp6 3s 2 6926.42 2275.69 mg iii s2p5 6p - sp6 4s 2 4836.92 1199.70 mg iii s2p5 6p - sp6 5s 2 3577.02 772.42 mg iii s2p5 6p - sp6 6s 2 2896.87 551.49 mg iii s2p5 6p - sp6 7s 2 1681.15 419.51 mg iii s2p5 6p - sp6 8s 2 1264.08 333.13 mg iii s2p5 6p - sp6 9s 2 1006.49 272.89 mg iii s2p5 6p - sp6 3d 2 1891.86 -56.76 mg iii s2p5 6p - sp6 4d 2 1760.31 -71.28 mg iii s2p5 6p - sp6 5d 2 1548.33 -63.14 mg iii s2p5 6p - sp6 6d 2 1884.82 -52.94 mg iii s2p5 6p - sp6 7d 2 1405.77 -44.27 mg iii s2p5 6p - sp6 8d 2 1110.77 -37.39 mg iii s2p5 6p - sp6 9d 2 908.66 -31.98 mg iii s2p5 7p - s2p5 8p 4 0.00 607.41 327.32 293.92 mg iii s2p5 7p - s2p5 9p 4 0.00 498.78 269.96 242.67 mg iii s2p5 7p - s2p5 4f 2 -64.71 -24.57 mg iii s2p5 7p - s2p5 5f 2 -62.32 -21.88 mg iii s2p5 7p - s2p5 6f 2 -52.94 -18.27 mg iii s2p5 7p - s2p5 7f 2 -38.07 -15.25 mg iii s2p5 7p - s2p5 8f 2 -37.72 -12.88 mg iii s2p5 7p - s2p5 9f 2 -35.91 -11.02 mg iii s2p5 7p - sp6 3s 2 5234.92 1751.93 mg iii s2p5 7p - sp6 4s 2 3630.28 923.99 mg iii s2p5 7p - sp6 5s 2 2650.76 595.00 mg iii s2p5 7p - sp6 6s 2 2055.06 424.85 mg iii s2p5 7p - sp6 7s 2 1713.13 323.19 mg iii s2p5 7p - sp6 8s 2 1079.51 256.65 mg iii s2p5 7p - sp6 9s 2 842.56 210.25 mg iii s2p5 7p - sp6 3d 2 1414.59 -36.84 mg iii s2p5 7p - sp6 4d 2 1298.57 -49.61 mg iii s2p5 7p - sp6 5d 2 1115.00 -44.64 mg iii s2p5 7p - sp6 6d 2 973.14 -37.68 mg iii s2p5 7p - sp6 7d 2 1136.46 -31.62 mg iii s2p5 7p - sp6 8d 2 890.83 -26.76 mg iii s2p5 7p - sp6 9d 2 728.51 -22.92 mg iii s2p5 8p - s2p5 9p 4 0.00 402.74 216.32 194.78 mg iii s2p5 8p - s2p5 4f 2 -51.42 -19.91 mg iii s2p5 8p - s2p5 5f 2 -49.98 -17.74 mg iii s2p5 8p - s2p5 6f 2 -43.27 -14.82 mg iii s2p5 8p - s2p5 7f 2 -36.27 -12.37 mg iii s2p5 8p - s2p5 8f 2 -27.65 -10.45 mg iii s2p5 8p - s2p5 9f 2 -25.74 -8.95 mg iii s2p5 8p - sp6 3s 2 4145.02 1403.12 mg iii s2p5 8p - sp6 4s 2 2864.25 740.23 mg iii s2p5 8p - sp6 5s 2 2080.09 476.72 mg iii s2p5 8p - sp6 6s 2 1596.61 340.41 mg iii s2p5 8p - sp6 7s 2 1284.36 258.96 mg iii s2p5 8p - sp6 8s 2 1095.26 205.64 mg iii s2p5 8p - sp6 9s 2 733.24 168.47 mg iii s2p5 8p - sp6 3d 2 1112.45 -26.07 mg iii s2p5 8p - sp6 4d 2 1014.05 -37.09 mg iii s2p5 8p - sp6 5d 2 860.73 -33.77 mg iii s2p5 8p - sp6 6d 2 736.54 -28.63 mg iii s2p5 8p - sp6 7d 2 647.33 -24.09 mg iii s2p5 8p - sp6 8d 2 736.50 -20.42 mg iii s2p5 8p - sp6 9d 2 598.04 -17.50 mg iii s2p5 9p - s2p5 4f 2 -42.10 -16.54 mg iii s2p5 9p - s2p5 5f 2 -41.10 -14.74 mg iii s2p5 9p - s2p5 6f 2 -35.83 -12.32 mg iii s2p5 9p - s2p5 7f 2 -30.44 -10.29 mg iii s2p5 9p - s2p5 8f 2 -25.67 -8.69 mg iii s2p5 9p - s2p5 9f 2 -20.40 -7.44 mg iii s2p5 9p - sp6 3s 2 3391.50 1156.86 mg iii s2p5 9p - sp6 4s 2 2338.77 610.43 mg iii s2p5 9p - sp6 5s 2 1693.54 393.14 mg iii s2p5 9p - sp6 6s 2 1294.26 280.74 mg iii s2p5 9p - sp6 7s 2 1032.68 213.57 mg iii s2p5 9p - sp6 8s 2 854.54 169.60 mg iii s2p5 9p - sp6 9s 2 741.94 138.94 mg iii s2p5 9p - sp6 3d 2 905.94 -19.60 mg iii s2p5 9p - sp6 4d 2 822.41 -29.12 mg iii s2p5 9p - sp6 5d 2 693.68 -26.74 mg iii s2p5 9p - sp6 6d 2 587.86 -22.76 mg iii s2p5 9p - sp6 7d 2 508.18 -19.18 mg iii s2p5 9p - sp6 8d 2 450.99 -16.28 mg iii s2p5 9p - sp6 9d 2 503.91 -13.96 mg iii s2p5 4f - s2p5 5f 4 0.00 650.46 29.38 18.85 mg iii s2p5 4f - s2p5 6f 4 0.00 459.01 24.78 15.90 mg iii s2p5 4f - s2p5 7f 4 0.00 350.10 20.82 13.36 mg iii s2p5 4f - s2p5 8f 4 0.00 279.78 17.66 11.34 mg iii s2p5 4f - s2p5 9f 4 0.00 230.83 15.15 9.73 mg iii s2p5 4f - s2p5 6h 2 130.89 0.13 mg iii s2p5 4f - s2p5 7h 2 127.18 0.15 mg iii s2p5 4f - s2p5 8h 2 113.44 0.15 mg iii s2p5 4f - s2p5 9h 2 99.63 0.14 mg iii s2p5 4f - sp6 3d 2 -7792.92 -286.59 mg iii s2p5 4f - sp6 4d 2 427.86 -209.17 mg iii s2p5 4f - sp6 5d 2 -80.06 -153.91 mg iii s2p5 4f - sp6 6d 2 -81.14 -118.00 mg iii s2p5 4f - sp6 7d 2 -66.10 -93.81 mg iii s2p5 4f - sp6 8d 2 -53.40 -76.76 mg iii s2p5 4f - sp6 9d 2 -43.82 -64.26 mg iii s2p5 5f - s2p5 6f 4 0.00 404.07 22.51 14.46 mg iii s2p5 5f - s2p5 7f 4 0.00 309.27 18.91 12.15 mg iii s2p5 5f - s2p5 8f 4 0.00 247.78 16.04 10.31 mg iii s2p5 5f - s2p5 9f 4 0.00 204.79 13.77 8.85 mg iii s2p5 5f - s2p5 6h 2 -31.02 0.11 mg iii s2p5 5f - s2p5 7h 2 4.34 0.13 mg iii s2p5 5f - s2p5 8h 2 17.07 0.13 mg iii s2p5 5f - s2p5 9h 2 21.31 0.13 mg iii s2p5 5f - sp6 3d 2 -5581.52 -262.66 mg iii s2p5 5f - sp6 4d 2 -1986.52 -191.97 mg iii s2p5 5f - sp6 5d 2 297.89 -141.33 mg iii s2p5 5f - sp6 6d 2 -26.20 -108.39 mg iii s2p5 5f - sp6 7d 2 -44.06 -86.19 mg iii s2p5 5f - sp6 8d 2 -41.52 -70.53 mg iii s2p5 5f - sp6 9d 2 -36.36 -59.05 mg iii s2p5 6f - s2p5 7f 4 0.00 255.61 15.96 10.26 mg iii s2p5 6f - s2p5 8f 4 0.00 205.07 13.54 8.71 mg iii s2p5 6f - s2p5 9f 4 0.00 169.69 11.62 7.48 mg iii s2p5 6f - s2p5 6h 2 -0.08 0.10 mg iii s2p5 6f - s2p5 7h 2 -13.97 0.11 mg iii s2p5 6f - s2p5 8h 2 -5.91 0.11 mg iii s2p5 6f - s2p5 9h 2 -0.75 0.10 mg iii s2p5 6f - sp6 3d 2 -4216.93 -222.77 mg iii s2p5 6f - sp6 4d 2 -1859.33 -162.94 mg iii s2p5 6f - sp6 5d 2 -634.15 -120.00 mg iii s2p5 6f - sp6 6d 2 196.67 -92.04 mg iii s2p5 6f - sp6 7d 2 -0.63 -73.19 mg iii s2p5 6f - sp6 8d 2 -19.60 -59.90 mg iii s2p5 6f - sp6 9d 2 -22.21 -50.16 mg iii s2p5 7f - s2p5 8f 4 0.00 169.81 11.38 7.32 mg iii s2p5 7f - s2p5 9f 4 0.00 140.59 9.77 6.28 mg iii s2p5 7f - s2p5 6h 2 0.35 0.08 mg iii s2p5 7f - s2p5 7h 2 -0.08 0.09 mg iii s2p5 7f - s2p5 8h 2 -6.52 0.09 mg iii s2p5 7f - s2p5 9h 2 -4.63 0.09 mg iii s2p5 7f - sp6 3d 2 -3329.25 -187.75 mg iii s2p5 7f - sp6 4d 2 -1589.97 -137.38 mg iii s2p5 7f - sp6 5d 2 -700.04 -101.19 mg iii s2p5 7f - sp6 6d 2 -230.95 -77.63 mg iii s2p5 7f - sp6 7d 2 132.68 -61.74 mg iii s2p5 7f - sp6 8d 2 9.35 -50.53 mg iii s2p5 7f - sp6 9d 2 -6.57 -42.31 mg iii s2p5 8f - s2p5 9f 4 0.00 117.99 8.29 5.33 mg iii s2p5 8f - s2p5 6h 2 0.47 0.07 mg iii s2p5 8f - s2p5 7h 2 0.23 0.08 mg iii s2p5 8f - s2p5 8h 2 -0.07 0.08 mg iii s2p5 8f - s2p5 9h 2 -3.27 0.07 mg iii s2p5 8f - sp6 3d 2 -2715.53 -159.56 mg iii s2p5 8f - sp6 4d 2 -1351.25 -116.79 mg iii s2p5 8f - sp6 5d 2 -652.44 -86.03 mg iii s2p5 8f - sp6 6d 2 -295.33 -66.00 mg iii s2p5 8f - sp6 7d 2 -88.98 -52.49 mg iii s2p5 8f - sp6 8d 2 92.53 -42.96 mg iii s2p5 8f - sp6 9d 2 12.50 -35.97 mg iii s2p5 9f - s2p5 6h 2 0.46 0.06 mg iii s2p5 9f - s2p5 7h 2 0.35 0.07 mg iii s2p5 9f - s2p5 8h 2 0.13 0.07 mg iii s2p5 9f - s2p5 9h 2 -0.06 0.06 mg iii s2p5 9f - sp6 3d 2 -2270.45 -137.16 mg iii s2p5 9f - sp6 4d 2 -1157.95 -100.41 mg iii s2p5 9f - sp6 5d 2 -586.08 -73.98 mg iii s2p5 9f - sp6 6d 2 -295.62 -56.76 mg iii s2p5 9f - sp6 7d 2 -134.79 -45.14 mg iii s2p5 9f - sp6 8d 2 -33.18 -36.94 mg iii s2p5 9f - sp6 9d 2 66.65 -30.94 mg iii s2p5 6h - s2p5 7h 4 0.00 47.41 0.00 0.00 mg iii s2p5 6h - s2p5 8h 4 0.00 33.34 0.00 0.00 mg iii s2p5 6h - s2p5 9h 4 0.00 25.52 0.00 0.00 mg iii s2p5 6h - s2p5 8k 2 18.84 0.00 mg iii s2p5 6h - s2p5 9k 2 18.75 0.00 mg iii s2p5 7h - s2p5 8h 4 0.00 36.60 0.00 0.00 mg iii s2p5 7h - s2p5 9h 4 0.00 28.17 0.00 0.00 mg iii s2p5 7h - s2p5 8k 2 -4.11 0.00 mg iii s2p5 7h - s2p5 9k 2 3.00 0.00 mg iii s2p5 8h - s2p5 9h 4 0.00 26.83 0.00 0.00 mg iii s2p5 8h - s2p5 8k 2 0.00 0.00 mg iii s2p5 8h - s2p5 9k 2 -2.45 0.00 mg iii s2p5 9h - s2p5 8k 2 0.05 0.00 mg iii s2p5 9h - s2p5 9k 2 0.00 0.00 mg iii s2p5 8k - s2p5 9k 4 0.00 7.50 0.00 0.00 mg iii sp6 3s - sp6 4s 2 0.00 4209.10 mg iii sp6 3s - sp6 5s 2 0.00 2703.91 mg iii sp6 3s - sp6 6s 2 0.00 1928.50 mg iii sp6 3s - sp6 7s 2 0.00 1466.13 mg iii sp6 3s - sp6 8s 2 0.00 1163.81 mg iii sp6 3s - sp6 9s 2 0.00 953.16 mg iii sp6 4s - sp6 5s 2 0.00 1424.48 mg iii sp6 4s - sp6 6s 2 0.00 1016.71 mg iii sp6 4s - sp6 7s 2 0.00 773.26 mg iii sp6 4s - sp6 8s 2 0.00 613.96 mg iii sp6 4s - sp6 9s 2 0.00 502.91 mg iii sp6 5s - sp6 6s 2 0.00 654.66 mg iii sp6 5s - sp6 7s 2 0.00 497.97 mg iii sp6 5s - sp6 8s 2 0.00 395.42 mg iii sp6 5s - sp6 9s 2 0.00 323.92 mg iii sp6 6s - sp6 7s 2 0.00 355.58 mg iii sp6 6s - sp6 8s 2 0.00 282.37 mg iii sp6 6s - sp6 9s 2 0.00 231.31 mg iii sp6 7s - sp6 8s 2 0.00 214.81 mg iii sp6 7s - sp6 9s 2 0.00 175.98 mg iii sp6 8s - sp6 9s 2 0.00 139.75 mg iii sp6 3d - sp6 4d 2 0.00 2301.54 mg iii sp6 3d - sp6 5d 2 0.00 1714.31 mg iii sp6 3d - sp6 6d 2 0.00 1322.94 mg iii sp6 3d - sp6 7d 2 0.00 1055.79 mg iii sp6 3d - sp6 8d 2 0.00 866.07 mg iii sp6 3d - sp6 9d 2 0.00 726.32 mg iii sp6 4d - sp6 5d 2 0.00 1289.87 mg iii sp6 4d - sp6 6d 2 0.00 995.94 mg iii sp6 4d - sp6 7d 2 0.00 795.08 mg iii sp6 4d - sp6 8d 2 0.00 652.34 mg iii sp6 4d - sp6 9d 2 0.00 547.15 mg iii sp6 5d - sp6 6d 2 0.00 743.10 mg iii sp6 5d - sp6 7d 2 0.00 593.32 mg iii sp6 5d - sp6 8d 2 0.00 486.85 mg iii sp6 5d - sp6 9d 2 0.00 408.37 mg iii sp6 6d - sp6 7d 2 0.00 458.32 mg iii sp6 6d - sp6 8d 2 0.00 376.09 mg iii sp6 6d - sp6 9d 2 0.00 315.48 mg iii sp6 7d - sp6 8d 2 0.00 300.33 mg iii sp6 7d - sp6 9d 2 0.00 251.93 mg iii sp6 8d - sp6 9d 2 0.00 206.74 mg iii s2p5 3s 3 419684.68E 1519.26z 8970.10g mg iii s2p5 4s 3 540972.59E 1528.43z 2533.22g mg iii s2p5 5s 3 583908.83E 1530.68z 1059.95g mg iii s2p5 6s 3 604170.34E 1531.49z 542.99g mg iii s2p5 7s 3 615339.39E 1531.85z 315.09g mg iii s2p5 8s 3 622148.06E 1532.04z 199.04g mg iii s2p5 9s 3 626604.25E 1532.14z 133.73g mg iii s2p5 3d 6 526440.11E 1530.34z 1.52z 8813.66f 4083.29g 2291.47g mg iii s2p5 4d 6 577403.11E 1531.27z 0.74z 3823.49f 2242.89g 1269.51g mg iii s2p5 5d 6 600738.38E 1531.77z 0.39z 1942.87f 1235.40g 702.02g mg iii s2p5 6d 6 613318.78E 1532.01z 0.23z 1110.50f 733.54g 417.73g mg iii s2p5 7d 6 620862.08E 1532.14z 0.15z 691.39f 466.51g 266.01g mg iii s2p5 8d 6 625736.29E 1532.21z 0.10z 458.78f 313.65g 179.00g mg iii s2p5 9d 6 629066.78E 1532.25z 0.07z 319.70f 220.48g 125.90g mg iii s2p5 5g 6 601954.77E 1532.36z 0.06z 263.49f 0.23g 0.16g mg iii s2p5 6g 6 614027.94E 1532.36z 0.04z 152.54f 0.25g 0.18g mg iii s2p5 7g 6 621310.66E 1532.36z 0.02z 96.10f 0.21g 0.15g mg iii s2p5 8g 6 626037.69E 1532.36z 0.01z 64.40f 0.17g 0.12g mg iii s2p5 9g 6 629278.81E 1532.36z 0.01z 45.25f 0.13g 0.09g mg iii s2p5 7i 6 621322.91E 1532.36z 0.01z 31.65f 0.00g 0.00g mg iii s2p5 8i 6 626047.09E 1532.36z 0.01z 21.20f 0.00g 0.00g mg iii s2p5 9i 6 629285.73E 1532.36z 0.00z 14.89f 0.00g 0.00g mg iii sp6 3p 3 799631.63E 133.52z 6768.58g mg iii sp6 4p 3 888625.78E 46.99z 2153.44g mg iii sp6 5p 3 922826.00E 21.69z 957.21g mg iii sp6 6p 3 939748.62E 11.74z 508.28g mg iii sp6 7p 3 949371.08E 7.05z 302.09g mg iii sp6 8p 3 955366.28E 4.56z 194.13g mg iii sp6 9p 3 959354.35E 3.12z 132.14g mg iii sp6 4f 3 911198.29E 0.21z 21.55g mg iii sp6 5f 3 933537.05E 0.10z 18.09g mg iii sp6 6f 3 945680.25E 0.06z 13.02g mg iii sp6 7f 3 953000.12E 0.04z 9.25g mg iii sp6 8f 3 957748.28E 0.03z 6.68g mg iii sp6 9f 3 961002.37E 0.02z 4.94g mg iii s2p5 3s - s2p5 4s 2 0.00 4745.82 mg iii s2p5 3s - s2p5 5s 2 0.00 3059.67 mg iii s2p5 3s - s2p5 6s 2 0.00 2185.90 mg iii s2p5 3s - s2p5 7s 2 0.00 1663.34 mg iii s2p5 3s - s2p5 8s 2 0.00 1321.09 mg iii s2p5 3s - s2p5 9s 2 0.00 1082.36 mg iii s2p5 3s - s2p5 3d 2 7767.15 -950.01 mg iii s2p5 3s - s2p5 4d 2 4299.13 -868.01 mg iii s2p5 3s - s2p5 5d 2 2769.26 -699.94 mg iii s2p5 3s - s2p5 6d 2 1969.91 -562.34 mg iii s2p5 3s - s2p5 7d 2 1494.98 -459.39 mg iii s2p5 3s - s2p5 8d 2 1186.17 -382.46 mg iii s2p5 3s - s2p5 9d 2 971.94 -323.97 mg iii s2p5 3s - sp6 3p 2 36543.72 7718.85 mg iii s2p5 3s - sp6 4p 2 15995.65 4377.18 mg iii s2p5 3s - sp6 5p 2 9896.28 2916.08 mg iii s2p5 3s - sp6 6p 2 6964.71 2122.91 mg iii s2p5 3s - sp6 7p 2 5265.96 1635.44 mg iii s2p5 3s - sp6 8p 2 4170.70 1310.37 mg iii s2p5 3s - sp6 9p 2 3413.15 1080.68 mg iii s2p5 4s - s2p5 5s 2 0.00 1637.85 mg iii s2p5 4s - s2p5 6s 2 0.00 1171.65 mg iii s2p5 4s - s2p5 7s 2 0.00 892.19 mg iii s2p5 4s - s2p5 8s 2 0.00 708.92 mg iii s2p5 4s - s2p5 9s 2 0.00 580.97 mg iii s2p5 4s - s2p5 3d 2 2114.05 -397.89 mg iii s2p5 4s - s2p5 4d 2 2218.03 -373.67 mg iii s2p5 4s - s2p5 5d 2 1583.78 -304.47 mg iii s2p5 4s - s2p5 6d 2 1179.66 -245.87 mg iii s2p5 4s - s2p5 7d 2 918.81 -201.46 mg iii s2p5 4s - s2p5 8d 2 741.14 -168.03 mg iii s2p5 4s - s2p5 9d 2 614.16 -142.52 mg iii s2p5 4s - sp6 3p 2 11053.28 4070.83 mg iii s2p5 4s - sp6 4p 2 12224.37 2326.43 mg iii s2p5 4s - sp6 5p 2 7004.12 1554.54 mg iii s2p5 4s - sp6 6p 2 4847.35 1133.40 mg iii s2p5 4s - sp6 7p 2 3640.10 873.89 mg iii s2p5 4s - sp6 8p 2 2872.97 700.57 mg iii s2p5 4s - sp6 9p 2 2346.43 577.97 mg iii s2p5 5s - s2p5 6s 2 0.00 758.57 mg iii s2p5 5s - s2p5 7s 2 0.00 577.77 mg iii s2p5 5s - s2p5 8s 2 0.00 459.15 mg iii s2p5 5s - s2p5 9s 2 0.00 376.32 mg iii s2p5 5s - s2p5 3d 2 1251.38 -233.55 mg iii s2p5 5s - s2p5 4d 2 1047.75 -222.27 mg iii s2p5 5s - s2p5 5d 2 937.27 -181.97 mg iii s2p5 5s - s2p5 6d 2 729.41 -147.29 mg iii s2p5 5s - s2p5 7d 2 579.50 -120.84 mg iii s2p5 5s - s2p5 8d 2 472.71 -100.88 mg iii s2p5 5s - s2p5 9d 2 394.52 -85.61 mg iii s2p5 5s - sp6 3p 2 6541.85 2621.52 mg iii s2p5 5s - sp6 4p 2 5205.00 1502.04 mg iii s2p5 5s - sp6 5p 2 5460.02 1004.68 mg iii s2p5 5s - sp6 6p 2 3576.89 732.87 mg iii s2p5 5s - sp6 7p 2 2652.87 565.23 mg iii s2p5 5s - sp6 8p 2 2082.71 453.21 mg iii s2p5 5s - sp6 9p 2 1696.18 373.95 mg iii s2p5 6s - s2p5 7s 2 0.00 413.62 mg iii s2p5 6s - s2p5 8s 2 0.00 328.72 mg iii s2p5 6s - s2p5 9s 2 0.00 269.43 mg iii s2p5 6s - s2p5 3d 2 859.99 -159.16 mg iii s2p5 6s - s2p5 4d 2 711.49 -152.57 mg iii s2p5 6s - s2p5 5d 2 564.56 -125.22 mg iii s2p5 6s - s2p5 6d 2 486.65 -101.49 mg iii s2p5 6s - s2p5 7d 2 395.44 -83.32 mg iii s2p5 6s - s2p5 8d 2 326.05 -69.58 mg iii s2p5 6s - s2p5 9d 2 273.83 -59.07 mg iii s2p5 6s - sp6 3p 2 4509.38 1871.87 mg iii s2p5 6s - sp6 4p 2 3456.67 1073.79 mg iii s2p5 6s - sp6 5p 2 2805.19 718.58 mg iii s2p5 6s - sp6 6p 2 2889.38 524.29 mg iii s2p5 6s - sp6 7p 2 2053.43 404.42 mg iii s2p5 6s - sp6 8p 2 1596.46 324.29 mg iii s2p5 6s - sp6 9p 2 1294.67 267.59 mg iii s2p5 7s - s2p5 8s 2 0.00 250.43 mg iii s2p5 7s - s2p5 9s 2 0.00 205.26 mg iii s2p5 7s - s2p5 3d 2 640.93 -117.89 mg iii s2p5 7s - s2p5 4d 2 527.39 -113.49 mg iii s2p5 7s - s2p5 5d 2 415.43 -93.29 mg iii s2p5 7s - s2p5 6d 2 333.77 -75.66 mg iii s2p5 7s - s2p5 7d 2 286.27 -62.14 mg iii s2p5 7s - s2p5 8d 2 239.07 -51.91 mg iii s2p5 7s - s2p5 9d 2 202.06 -44.07 mg iii s2p5 7s - sp6 3p 2 3367.37 1423.96 mg iii s2p5 7s - sp6 4p 2 2542.42 817.39 mg iii s2p5 7s - sp6 5p 2 2004.56 547.13 mg iii s2p5 7s - sp6 6p 2 1672.62 399.25 mg iii s2p5 7s - sp6 7p 2 1708.30 307.99 mg iii s2p5 7s - sp6 8p 2 1282.66 246.98 mg iii s2p5 7s - sp6 9p 2 1031.93 203.80 mg iii s2p5 8s - s2p5 9s 2 0.00 163.15 mg iii s2p5 8s - s2p5 3d 2 502.67 -92.07 mg iii s2p5 8s - s2p5 4d 2 412.49 -88.87 mg iii s2p5 8s - s2p5 5d 2 323.75 -73.12 mg iii s2p5 8s - s2p5 6d 2 258.91 -59.33 mg iii s2p5 8s - s2p5 7d 2 212.39 -48.74 mg iii s2p5 8s - s2p5 8d 2 183.09 -40.72 mg iii s2p5 8s - s2p5 9d 2 155.96 -34.58 mg iii s2p5 8s - sp6 3p 2 2644.40 1130.76 mg iii s2p5 8s - sp6 4p 2 1980.87 649.34 mg iii s2p5 8s - sp6 5p 2 1543.02 434.71 mg iii s2p5 8s - sp6 6p 2 1257.51 317.24 mg iii s2p5 8s - sp6 7p 2 1074.21 244.74 mg iii s2p5 8s - sp6 8p 2 1091.98 196.26 mg iii s2p5 8s - sp6 9p 2 853.08 161.95 mg iii s2p5 9s - s2p5 3d 2 408.42 -74.59 mg iii s2p5 9s - s2p5 4d 2 334.62 -72.14 mg iii s2p5 9s - s2p5 5d 2 262.12 -59.39 mg iii s2p5 9s - s2p5 6d 2 209.12 -48.20 mg iii s2p5 9s - s2p5 7d 2 171.02 -39.61 mg iii s2p5 9s - s2p5 8d 2 143.09 -33.09 mg iii s2p5 9s - s2p5 9d 2 124.36 -28.10 mg iii s2p5 9s - sp6 3p 2 2150.53 926.31 mg iii s2p5 9s - sp6 4p 2 1603.39 532.07 mg iii s2p5 9s - sp6 5p 2 1240.90 356.24 mg iii s2p5 9s - sp6 6p 2 1001.14 259.99 mg iii s2p5 9s - sp6 7p 2 838.36 200.58 mg iii s2p5 9s - sp6 8p 2 729.73 160.85 mg iii s2p5 9s - sp6 9p 2 739.61 132.74 mg iii s2p5 3d - s2p5 4d 4 0.00 5059.46 3021.61 1702.21 mg iii s2p5 3d - s2p5 5d 4 0.00 3429.70 2238.89 1263.11 mg iii s2p5 3d - s2p5 6d 4 0.00 2526.17 1723.35 972.94 mg iii s2p5 3d - s2p5 7d 4 0.00 1962.53 1373.35 775.65 mg iii s2p5 3d - s2p5 8d 4 0.00 1582.60 1125.55 635.85 mg iii s2p5 3d - s2p5 9d 4 0.00 1311.92 943.36 533.01 mg iii s2p5 3d - s2p5 5g 2 465.02 17.04 mg iii s2p5 3d - s2p5 6g 2 439.43 17.87 mg iii s2p5 3d - s2p5 7g 2 383.19 16.52 mg iii s2p5 3d - s2p5 8g 2 330.39 14.77 mg iii s2p5 3d - s2p5 9g 2 286.02 13.11 mg iii s2p5 3d - sp6 3p 2 19830.86 -1456.88 mg iii s2p5 3d - sp6 4p 2 4546.86 -581.47 mg iii s2p5 3d - sp6 5p 2 2708.31 -326.39 mg iii s2p5 3d - sp6 6p 2 1868.30 -215.74 mg iii s2p5 3d - sp6 7p 2 1396.66 -156.61 mg iii s2p5 3d - sp6 8p 2 1098.22 -120.67 mg iii s2p5 3d - sp6 9p 2 894.28 -96.87 mg iii s2p5 3d - sp6 4f 2 -7796.64 -214.13 mg iii s2p5 3d - sp6 5f 2 -5583.49 -197.20 mg iii s2p5 3d - sp6 6f 2 -4218.39 -167.68 mg iii s2p5 3d - sp6 7f 2 -3330.45 -141.54 mg iii s2p5 3d - sp6 8f 2 -2716.55 -120.41 mg iii s2p5 3d - sp6 9f 2 -2271.34 -103.57 mg iii s2p5 4d - s2p5 5d 4 0.00 2599.03 1664.11 943.68 mg iii s2p5 4d - s2p5 6d 4 0.00 1923.50 1281.81 727.57 mg iii s2p5 4d - s2p5 7d 4 0.00 1498.86 1021.90 580.35 mg iii s2p5 4d - s2p5 8d 4 0.00 1211.12 837.73 475.92 mg iii s2p5 4d - s2p5 9d 4 0.00 1005.38 702.25 399.04 mg iii s2p5 4d - s2p5 5g 2 -146.94 11.92 mg iii s2p5 4d - s2p5 6g 2 -48.95 12.52 mg iii s2p5 4d - s2p5 7g 2 -8.60 11.58 mg iii s2p5 4d - s2p5 8g 2 8.63 10.36 mg iii s2p5 4d - s2p5 9g 2 16.05 9.20 mg iii s2p5 4d - sp6 3p 2 8846.23 -1215.28 mg iii s2p5 4d - sp6 4p 2 7298.93 -504.11 mg iii s2p5 4d - sp6 5p 2 2600.44 -289.65 mg iii s2p5 4d - sp6 6p 2 1740.87 -194.29 mg iii s2p5 4d - sp6 7p 2 1283.79 -142.41 mg iii s2p5 4d - sp6 8p 2 1002.33 -110.46 mg iii s2p5 4d - sp6 9p 2 812.83 -89.09 mg iii s2p5 4d - sp6 4f 2 415.13 -155.54 mg iii s2p5 4d - sp6 5f 2 -1997.80 -143.45 mg iii s2p5 4d - sp6 6f 2 -1867.46 -122.08 mg iii s2p5 4d - sp6 7f 2 -1596.27 -103.09 mg iii s2p5 4d - sp6 8f 2 -1356.36 -87.73 mg iii s2p5 4d - sp6 9f 2 -1162.22 -75.48 mg iii s2p5 5d - s2p5 6d 4 0.00 1436.21 951.88 541.47 mg iii s2p5 5d - s2p5 7d 4 0.00 1120.83 759.01 432.02 mg iii s2p5 5d - s2p5 8d 4 0.00 906.68 622.29 354.33 mg iii s2p5 5d - s2p5 9d 4 0.00 753.27 521.69 297.13 mg iii s2p5 5d - s2p5 5g 2 -7.53 8.61 mg iii s2p5 5d - s2p5 6g 2 -55.40 9.04 mg iii s2p5 5d - s2p5 7g 2 -40.80 8.37 mg iii s2p5 5d - s2p5 8g 2 -28.56 7.49 mg iii s2p5 5d - s2p5 9g 2 -20.43 6.65 mg iii s2p5 5d - sp6 3p 2 5234.21 -947.85 mg iii s2p5 5d - sp6 4p 2 4415.61 -399.19 mg iii s2p5 5d - sp6 5p 2 3431.04 -231.38 mg iii s2p5 5d - sp6 6p 2 1533.78 -156.05 mg iii s2p5 5d - sp6 7p 2 1103.84 -114.77 mg iii s2p5 5d - sp6 8p 2 851.87 -89.23 mg iii s2p5 5d - sp6 9p 2 686.43 -72.09 mg iii s2p5 5d - sp6 4f 2 -86.25 -114.22 mg iii s2p5 5d - sp6 5f 2 288.70 -105.42 mg iii s2p5 5d - sp6 6f 2 -642.84 -89.74 mg iii s2p5 5d - sp6 7f 2 -706.93 -75.80 mg iii s2p5 5d - sp6 8f 2 -658.06 -64.51 mg iii s2p5 5d - sp6 9f 2 -590.79 -55.51 mg iii s2p5 6d - s2p5 7d 4 0.00 865.33 584.96 333.33 mg iii s2p5 6d - s2p5 8d 4 0.00 700.35 479.62 273.42 mg iii s2p5 6d - s2p5 9d 4 0.00 582.12 402.11 229.29 mg iii s2p5 6d - s2p5 5g 2 -5.14 6.53 mg iii s2p5 6d - s2p5 6g 2 -6.33 6.86 mg iii s2p5 6d - s2p5 7g 2 -24.01 6.35 mg iii s2p5 6d - s2p5 8g 2 -22.12 5.69 mg iii s2p5 6d - s2p5 9g 2 -18.52 5.05 mg iii s2p5 6d - sp6 3p 2 3558.52 -749.27 mg iii s2p5 6d - sp6 4p 2 3066.03 -317.97 mg iii s2p5 6d - sp6 5p 2 2369.12 -185.11 mg iii s2p5 6d - sp6 6p 2 1871.79 -125.17 mg iii s2p5 6d - sp6 7p 2 964.69 -92.22 mg iii s2p5 6d - sp6 8p 2 729.76 -71.78 mg iii s2p5 6d - sp6 9p 2 582.30 -58.03 mg iii s2p5 6d - sp6 4f 2 -85.57 -87.49 mg iii s2p5 6d - sp6 5f 2 -31.25 -80.77 mg iii s2p5 6d - sp6 6f 2 190.54 -68.77 mg iii s2p5 6d - sp6 7f 2 -236.88 -58.10 mg iii s2p5 6d - sp6 8f 2 -300.28 -49.45 mg iii s2p5 6d - sp6 9f 2 -299.80 -42.55 mg iii s2p5 7d - s2p5 8d 4 0.00 558.86 382.51 218.20 mg iii s2p5 7d - s2p5 9d 4 0.00 464.60 320.70 182.99 mg iii s2p5 7d - s2p5 5g 2 -3.49 5.16 mg iii s2p5 7d - s2p5 6g 2 -4.72 5.42 mg iii s2p5 7d - s2p5 7g 2 -4.82 5.02 mg iii s2p5 7d - s2p5 8g 2 -12.09 4.49 mg iii s2p5 7d - s2p5 9g 2 -12.20 3.99 mg iii s2p5 7d - sp6 3p 2 2627.06 -606.51 mg iii s2p5 7d - sp6 4p 2 2297.59 -258.52 mg iii s2p5 7d - sp6 5p 2 1780.59 -150.87 mg iii s2p5 7d - sp6 6p 2 1394.71 -102.17 mg iii s2p5 7d - sp6 7p 2 1128.93 -75.34 mg iii s2p5 7d - sp6 8p 2 642.06 -58.68 mg iii s2p5 7d - sp6 9p 2 503.82 -47.47 mg iii s2p5 7d - sp6 4f 2 -69.50 -69.51 mg iii s2p5 7d - sp6 5f 2 -47.81 -64.19 mg iii s2p5 7d - sp6 6f 2 -4.34 -54.66 mg iii s2p5 7d - sp6 7f 2 128.53 -46.18 mg iii s2p5 7d - sp6 8f 2 -93.04 -39.30 mg iii s2p5 7d - sp6 9f 2 -138.29 -33.82 mg iii s2p5 8d - s2p5 9d 4 0.00 381.02 262.97 150.12 mg iii s2p5 8d - s2p5 5g 2 -2.61 4.21 mg iii s2p5 8d - s2p5 6g 2 -3.44 4.42 mg iii s2p5 8d - s2p5 7g 2 -3.80 4.09 mg iii s2p5 8d - s2p5 8g 2 -3.62 3.66 mg iii s2p5 8d - s2p5 9g 2 -6.88 3.25 mg iii s2p5 8d - sp6 3p 2 2046.71 -502.05 mg iii s2p5 8d - sp6 4p 2 1809.35 -214.59 mg iii s2p5 8d - sp6 5p 2 1406.05 -125.43 mg iii s2p5 8d - sp6 6p 2 1101.53 -85.02 mg iii s2p5 8d - sp6 7p 2 884.27 -62.73 mg iii s2p5 8d - sp6 8p 2 731.79 -48.88 mg iii s2p5 8d - sp6 9p 2 447.51 -39.55 mg iii s2p5 8d - sp6 4f 2 -56.12 -56.86 mg iii s2p5 8d - sp6 5f 2 -44.49 -52.51 mg iii s2p5 8d - sp6 6f 2 -22.46 -44.72 mg iii s2p5 8d - sp6 7f 2 6.66 -37.78 mg iii s2p5 8d - sp6 8f 2 89.63 -32.16 mg iii s2p5 8d - sp6 9f 2 -36.03 -27.67 mg iii s2p5 9d - s2p5 5g 2 -2.07 3.51 mg iii s2p5 9d - s2p5 6g 2 -2.68 3.69 mg iii s2p5 9d - s2p5 7g 2 -2.92 3.42 mg iii s2p5 9d - s2p5 8g 2 -2.97 3.06 mg iii s2p5 9d - s2p5 9g 2 -2.74 2.72 mg iii s2p5 9d - sp6 3p 2 1655.75 -423.65 mg iii s2p5 9d - sp6 4p 2 1475.41 -181.41 mg iii s2p5 9d - sp6 5p 2 1149.01 -106.15 mg iii s2p5 9d - sp6 6p 2 900.86 -71.99 mg iii s2p5 9d - sp6 7p 2 722.89 -53.14 mg iii s2p5 9d - sp6 8p 2 593.85 -41.42 mg iii s2p5 9d - sp6 9p 2 500.78 -33.52 mg iii s2p5 9d - sp6 4f 2 -46.07 -47.59 mg iii s2p5 9d - sp6 5f 2 -38.79 -43.96 mg iii s2p5 9d - sp6 6f 2 -24.53 -37.44 mg iii s2p5 9d - sp6 7f 2 -8.71 -31.63 mg iii s2p5 9d - sp6 8f 2 10.51 -26.92 mg iii s2p5 9d - sp6 9f 2 64.56 -23.17 mg iii s2p5 5g - s2p5 6g 4 0.00 152.69 0.24 0.17 mg iii s2p5 5g - s2p5 7g 4 0.00 108.01 0.22 0.16 mg iii s2p5 5g - s2p5 8g 4 0.00 82.82 0.20 0.14 mg iii s2p5 5g - s2p5 9g 4 0.00 66.58 0.18 0.12 mg iii s2p5 5g - s2p5 7i 2 45.83 0.00 mg iii s2p5 5g - s2p5 8i 2 45.33 0.00 mg iii s2p5 5g - s2p5 9i 2 41.02 0.00 mg iii s2p5 5g - sp6 4f 2 -2852.03 -2.09 mg iii s2p5 5g - sp6 5f 2 5.84 -1.89 mg iii s2p5 5g - sp6 6f 2 -92.93 -1.60 mg iii s2p5 5g - sp6 7f 2 -75.27 -1.34 mg iii s2p5 5g - sp6 8f 2 -60.04 -1.14 mg iii s2p5 5g - sp6 9f 2 -49.02 -0.97 mg iii s2p5 6g - s2p5 7g 4 0.00 107.22 0.23 0.16 mg iii s2p5 6g - s2p5 8g 4 0.00 82.56 0.21 0.14 mg iii s2p5 6g - s2p5 9g 4 0.00 66.57 0.18 0.13 mg iii s2p5 6g - s2p5 7i 2 -10.39 0.00 mg iii s2p5 6g - s2p5 8i 2 4.58 0.00 mg iii s2p5 6g - s2p5 9i 2 9.95 0.00 mg iii s2p5 6g - sp6 4f 2 -2015.58 -2.19 mg iii s2p5 6g - sp6 5f 2 -1067.71 -1.98 mg iii s2p5 6g - sp6 6f 2 5.80 -1.67 mg iii s2p5 6g - sp6 7f 2 -70.50 -1.40 mg iii s2p5 6g - sp6 8f 2 -62.44 -1.19 mg iii s2p5 6g - sp6 9f 2 -52.53 -1.02 mg iii s2p5 7g - s2p5 8g 4 0.00 73.55 0.19 0.13 mg iii s2p5 7g - s2p5 9g 4 0.00 59.43 0.17 0.12 mg iii s2p5 7g - s2p5 7i 2 0.00 0.00 mg iii s2p5 7g - s2p5 8i 2 -5.48 0.00 mg iii s2p5 7g - s2p5 9i 2 -1.26 0.00 mg iii s2p5 7g - sp6 4f 2 -1523.46 -2.02 mg iii s2p5 7g - sp6 5f 2 -954.59 -1.83 mg iii s2p5 7g - sp6 6f 2 -480.52 -1.54 mg iii s2p5 7g - sp6 7f 2 4.89 -1.29 mg iii s2p5 7g - sp6 8f 2 -49.01 -1.10 mg iii s2p5 7g - sp6 9f 2 -46.30 -0.94 mg iii s2p5 8g - s2p5 9g 4 0.00 51.77 0.15 0.10 mg iii s2p5 8g - s2p5 7i 2 0.14 0.00 mg iii s2p5 8g - s2p5 8i 2 0.00 0.00 mg iii s2p5 8g - s2p5 9i 2 -2.87 0.00 mg iii s2p5 8g - sp6 4f 2 -1208.15 -1.80 mg iii s2p5 8g - sp6 5f 2 -806.38 -1.63 mg iii s2p5 8g - sp6 6f 2 -480.67 -1.38 mg iii s2p5 8g - sp6 7f 2 -245.26 -1.16 mg iii s2p5 8g - sp6 8f 2 3.94 -0.98 mg iii s2p5 8g - sp6 9f 2 -33.91 -0.84 mg iii s2p5 9g - s2p5 7i 2 0.18 0.00 mg iii s2p5 9g - s2p5 8i 2 0.12 0.00 mg iii s2p5 9g - s2p5 9i 2 0.00 0.00 mg iii s2p5 9g - sp6 4f 2 -991.00 -1.60 mg iii s2p5 9g - sp6 5f 2 -683.38 -1.45 mg iii s2p5 9g - sp6 6f 2 -434.21 -1.22 mg iii s2p5 9g - sp6 7f 2 -262.57 -1.02 mg iii s2p5 9g - sp6 8f 2 -137.16 -0.87 mg iii s2p5 9g - sp6 9f 2 3.15 -0.75 mg iii s2p5 7i - s2p5 8i 4 0.00 17.66 0.00 0.00 mg iii s2p5 7i - s2p5 9i 4 0.00 12.27 0.00 0.00 mg iii s2p5 8i - s2p5 9i 4 0.00 14.65 0.00 0.00 mg iii sp6 3p - sp6 4p 2 0.00 3799.06 mg iii sp6 3p - sp6 5p 2 0.00 2521.35 mg iii sp6 3p - sp6 6p 2 0.00 1832.12 mg iii sp6 3p - sp6 7p 2 0.00 1409.93 mg iii sp6 3p - sp6 8p 2 0.00 1128.94 mg iii sp6 3p - sp6 9p 2 0.00 930.64 mg iii sp6 4p - sp6 5p 2 0.00 1434.66 mg iii sp6 4p - sp6 6p 2 0.00 1044.47 mg iii sp6 4p - sp6 7p 2 0.00 804.66 mg iii sp6 4p - sp6 8p 2 0.00 644.74 mg iii sp6 4p - sp6 9p 2 0.00 531.73 mg iii sp6 5p - sp6 6p 2 0.00 697.39 mg iii sp6 5p - sp6 7p 2 0.00 537.49 mg iii sp6 5p - sp6 8p 2 0.00 430.78 mg iii sp6 5p - sp6 9p 2 0.00 355.34 mg iii sp6 6p - sp6 7p 2 0.00 391.82 mg iii sp6 6p - sp6 8p 2 0.00 314.07 mg iii sp6 6p - sp6 9p 2 0.00 259.09 mg iii sp6 7p - sp6 8p 2 0.00 242.16 mg iii sp6 7p - sp6 9p 2 0.00 199.78 mg iii sp6 8p - sp6 9p 2 0.00 160.16 mg iii sp6 4f - sp6 5f 2 0.00 19.74 mg iii sp6 4f - sp6 6f 2 0.00 16.74 mg iii sp6 4f - sp6 7f 2 0.00 14.11 mg iii sp6 4f - sp6 8f 2 0.00 11.99 mg iii sp6 4f - sp6 9f 2 0.00 10.30 mg iii sp6 5f - sp6 6f 2 0.00 15.34 mg iii sp6 5f - sp6 7f 2 0.00 12.93 mg iii sp6 5f - sp6 8f 2 0.00 10.99 mg iii sp6 5f - sp6 9f 2 0.00 9.45 mg iii sp6 6f - sp6 7f 2 0.00 10.97 mg iii sp6 6f - sp6 8f 2 0.00 9.32 mg iii sp6 6f - sp6 9f 2 0.00 8.01 mg iii sp6 7f - sp6 8f 2 0.00 7.86 mg iii sp6 7f - sp6 9f 2 0.00 6.76 mg iii sp6 8f - sp6 9f 2 0.00 5.74