1 83232834340 1 3 1000.0000 7 0 0 s 2 p 3 p 0 f 0 h 0 k 0 s 0 d 0 p i s2p3 e= -75057.44884 s 2 p 2 p 1 f 0 h 0 k 0 s 0 d 0 p i s2p2 4p e= -74998.24804 s 2 p 2 p 1 f 0 h 0 k 0 s 0 d 0 p i s2p2 5p e= -74988.60812 s 2 p 2 p 1 f 0 h 0 k 0 s 0 d 0 p i s2p2 6p e= -74984.93464 s 2 p 2 p 1 f 0 h 0 k 0 s 0 d 0 p i s2p2 7p e= -74983.11096 s 2 p 2 p 1 f 0 h 0 k 0 s 0 d 0 p i s2p2 8p e= -74982.07052 s 2 p 2 p 1 f 0 h 0 k 0 s 0 d 0 p i s2p2 9p e= -74981.42007 s 2 p 2 p 0 f 1 h 0 k 0 s 0 d 0 p i s2p2 4f e= -74986.39914 s 2 p 2 p 0 f 1 h 0 k 0 s 0 d 0 p i s2p2 5f e= -74983.90554 s 2 p 2 p 0 f 1 h 0 k 0 s 0 d 0 p i s2p2 6f e= -74982.54636 s 2 p 2 p 0 f 1 h 0 k 0 s 0 d 0 p i s2p2 7f e= -74981.72686 s 2 p 2 p 0 f 1 h 0 k 0 s 0 d 0 p i s2p2 8f e= -74981.19543 s 2 p 2 p 0 f 1 h 0 k 0 s 0 d 0 p i s2p2 9f e= -74980.83115 s 2 p 2 p 0 f 0 h 1 k 0 s 0 d 0 p i s2p2 6h e= -74982.51413 s 2 p 2 p 0 f 0 h 1 k 0 s 0 d 0 p i s2p2 7h e= -74981.70552 s 2 p 2 p 0 f 0 h 1 k 0 s 0 d 0 p i s2p2 8h e= -74981.18047 s 2 p 2 p 0 f 0 h 1 k 0 s 0 d 0 p i s2p2 9h e= -74980.82058 s 2 p 2 p 0 f 0 h 0 k 1 s 0 d 0 p i s2p2 8k e= -74981.18040 s 2 p 2 p 0 f 0 h 0 k 1 s 0 d 0 p i s2p2 9k e= -74980.82048 s 1 p 3 p 0 f 0 h 0 k 0 s 1 d 0 p i sp3 4s e= -74932.07634 s 1 p 3 p 0 f 0 h 0 k 0 s 1 d 0 p i sp3 5s e= -74915.54970 s 1 p 3 p 0 f 0 h 0 k 0 s 1 d 0 p i sp3 6s e= -74910.24118 s 1 p 3 p 0 f 0 h 0 k 0 s 1 d 0 p i sp3 7s e= -74907.80967 s 1 p 3 p 0 f 0 h 0 k 0 s 1 d 0 p i sp3 8s e= -74906.49067 s 1 p 3 p 0 f 0 h 0 k 0 s 1 d 0 p i sp3 9s e= -74905.69456 s 1 p 3 p 0 f 0 h 0 k 0 s 0 d 1 p i sp3 3d e= -74918.49555 s 1 p 3 p 0 f 0 h 0 k 0 s 0 d 1 p i sp3 4d e= -74911.54926 s 1 p 3 p 0 f 0 h 0 k 0 s 0 d 1 p i sp3 5d e= -74908.46197 s 1 p 3 p 0 f 0 h 0 k 0 s 0 d 1 p i sp3 6d e= -74906.86731 s 1 p 3 p 0 f 0 h 0 k 0 s 0 d 1 p i sp3 7d e= -74905.93323 s 1 p 3 p 0 f 0 h 0 k 0 s 0 d 1 p i sp3 8d e= -74905.33800 s 1 p 3 p 0 f 0 h 0 k 0 s 0 d 1 p i sp3 9d e= -74904.93572 s 2 p 2 s 1 d 0 g 0 i 0 p 0 f 0 p i s2p2 4s e= -75008.13851 s 2 p 2 s 1 d 0 g 0 i 0 p 0 f 0 p i s2p2 5s e= -74991.58634 s 2 p 2 s 1 d 0 g 0 i 0 p 0 f 0 p i s2p2 6s e= -74986.24859 s 2 p 2 s 1 d 0 g 0 i 0 p 0 f 0 p i s2p2 7s e= -74983.80631 s 2 p 2 s 1 d 0 g 0 i 0 p 0 f 0 p i s2p2 8s e= -74982.48266 s 2 p 2 s 1 d 0 g 0 i 0 p 0 f 0 p i s2p2 9s e= -74981.68421 s 2 p 2 s 0 d 1 g 0 i 0 p 0 f 0 p i s2p2 3d e= -74993.94857 s 2 p 2 s 0 d 1 g 0 i 0 p 0 f 0 p i s2p2 4d e= -74987.30322 s 2 p 2 s 0 d 1 g 0 i 0 p 0 f 0 p i s2p2 5d e= -74984.33126 s 2 p 2 s 0 d 1 g 0 i 0 p 0 f 0 p i s2p2 6d e= -74982.78453 s 2 p 2 s 0 d 1 g 0 i 0 p 0 f 0 p i s2p2 7d e= -74981.87555 s 2 p 2 s 0 d 1 g 0 i 0 p 0 f 0 p i s2p2 8d e= -74981.29482 s 2 p 2 s 0 d 1 g 0 i 0 p 0 f 0 p i s2p2 9d e= -74980.90124 s 2 p 2 s 0 d 0 g 1 i 0 p 0 f 0 p i s2p2 5g e= -74983.85867 s 2 p 2 s 0 d 0 g 1 i 0 p 0 f 0 p i s2p2 6g e= -74982.51717 s 2 p 2 s 0 d 0 g 1 i 0 p 0 f 0 p i s2p2 7g e= -74981.70794 s 2 p 2 s 0 d 0 g 1 i 0 p 0 f 0 p i s2p2 8g e= -74981.18234 s 2 p 2 s 0 d 0 g 1 i 0 p 0 f 0 p i s2p2 9g e= -74980.82187 s 2 p 2 s 0 d 0 g 0 i 1 p 0 f 0 p i s2p2 7i e= -74981.70533 s 2 p 2 s 0 d 0 g 0 i 1 p 0 f 0 p i s2p2 8i e= -74981.18043 s 2 p 2 s 0 d 0 g 0 i 1 p 0 f 0 p i s2p2 9i e= -74980.82058 s 1 p 4 s 0 d 0 g 0 i 0 p 0 f 0 p i sp4 e= -74980.56335 s 1 p 3 s 0 d 0 g 0 i 0 p 1 f 0 p i sp3 4p e= -74922.64479 s 1 p 3 s 0 d 0 g 0 i 0 p 1 f 0 p i sp3 5p e= -74912.74008 s 1 p 3 s 0 d 0 g 0 i 0 p 1 f 0 p i sp3 6p e= -74909.00130 s 1 p 3 s 0 d 0 g 0 i 0 p 1 f 0 p i sp3 7p e= -74907.15308 s 1 p 3 s 0 d 0 g 0 i 0 p 1 f 0 p i sp3 8p e= -74906.10131 s 1 p 3 s 0 d 0 g 0 i 0 p 1 f 0 p i sp3 9p e= -74905.44483 s 1 p 3 s 0 d 0 g 0 i 0 p 0 f 1 p i sp3 4f e= -74910.41569 s 1 p 3 s 0 d 0 g 0 i 0 p 0 f 1 p i sp3 5f e= -74907.92171 s 1 p 3 s 0 d 0 g 0 i 0 p 0 f 1 p i sp3 6f e= -74906.56182 s 1 p 3 s 0 d 0 g 0 i 0 p 0 f 1 p i sp3 7f e= -74905.74187 s 1 p 3 s 0 d 0 g 0 i 0 p 0 f 1 p i sp3 8f e= -74905.21008 s 1 p 3 s 0 d 0 g 0 i 0 p 0 f 1 p i sp3 9f e= -74904.84566 p i s2p3 3 0.00E 40998.64F 270.77z p i s2p2 4p 7 59200.80E 45762.58F 329.60z 20.35z 4785.07f 2042.96g 1710.58g p i s2p2 5p 7 68840.72E 45956.56F 331.89z 7.56z 1576.24f 678.14g 591.65g p i s2p2 6p 7 72514.19E 46011.22F 332.56z 3.64z 718.40f 311.25g 276.51g p i s2p2 7p 7 74337.88E 46032.44F 332.82z 2.03z 388.41f 169.06g 151.64g p i s2p2 8p 7 75378.32E 46042.41F 332.95z 1.24z 233.92f 102.14g 92.14g p i s2p2 9p 7 76028.77E 46047.71F 333.01z 0.82z 151.84f 66.45g 60.17g p i s2p2 4f 7 71049.70E 46055.78F 333.13z 0.02z 454.24f 12.59g 8.10g p i s2p2 5f 7 73543.30E 46056.10F 333.13z 0.01z 235.88f 10.89g 7.01g p i s2p2 6f 7 74902.48E 46056.54F 333.13z 0.00z 138.18f 8.01g 5.16g p i s2p2 7f 7 75721.98E 46056.86F 333.13z 0.00z 87.88f 5.80g 3.74g p i s2p2 8f 7 76253.40E 46057.07F 333.13z 0.00z 59.35f 4.25g 2.74g p i s2p2 9f 7 76617.69E 46057.21F 333.14z 0.00z 41.97f 3.18g 2.05g p i s2p2 6h 7 74934.71E 46057.60F 333.14z 0.00z 33.92f 0.00g 0.00g p i s2p2 7h 7 75743.31E 46057.59F 333.14z 0.00z 21.36f 0.00g 0.00g p i s2p2 8h 7 76268.37E 46057.59F 333.14z 0.00z 14.31f 0.00g 0.00g p i s2p2 9h 7 76628.25E 46057.59F 333.14z 0.00z 10.05f 0.00g 0.00g p i s2p2 8k 7 76268.44E 46057.59F 333.14z 0.00z 5.62f 0.00g 0.00g p i s2p2 9k 7 76628.36E 46057.59F 333.14z 0.00z 3.95f 0.00g 0.00g p i sp3 4s 6 125372.50E 46011.98F 337.12z 64613.30g 2338.43g 2782.63g p i sp3 5s 6 141899.14E 46533.36F 342.28z 65160.74g 626.90g 703.60g p i sp3 6s 6 147207.66E 46636.86F 343.39z 65273.01g 254.54g 283.30g p i sp3 7s 6 149639.17E 46671.00F 343.77z 65310.49g 127.91g 142.02g p i sp3 8s 6 150958.16E 46685.60F 343.94z 65326.60g 73.24g 81.23g p i sp3 9s 6 151754.28E 46692.90F 344.02z 65334.68g 45.80g 50.77g p i sp3 3d 9 138953.29E 46255.49F 339.40z 0.27z 7036.55f 64864.59g 3066.07g 5790.59g p i sp3 3d 3304.15g p i sp3 4d 9 145899.58E 46430.16F 340.95z 0.20z 3796.03f 65042.48g 2278.41g 3892.76g p i sp3 4d 2259.68g p i sp3 5d 9 148986.86E 46571.97F 342.54z 0.11z 1817.55f 65198.13g 1194.50g 1953.54g p i sp3 5d 1144.58g p i sp3 6d 9 150581.53E 46634.76F 343.28z 0.06z 958.92f 65268.44g 654.24g 1045.66g p i sp3 6d 615.91g p i sp3 7d 9 151515.60E 46663.98F 343.64z 0.04z 560.50f 65301.44g 389.78g 614.50g p i sp3 7d 363.15g p i sp3 8d 9 152110.83E 46679.09F 343.83z 0.02z 354.63f 65318.57g 249.36g 389.62g p i sp3 8d 230.77g p i sp3 9d 9 152513.11E 46687.63F 343.94z 0.02z 238.24f 65328.28g 168.70g 261.96g p i sp3 9d 155.40g p i s2p3 -s2p2 4p 2 1443.12 6037.70 p i s2p3 -s2p2 5p 2 810.17 3340.51 p i s2p3 -s2p2 6p 2 542.30 2223.10 p i s2p3 -s2p2 7p 2 397.04 1622.71 p i s2p3 -s2p2 8p 2 307.36 1253.93 p i s2p3 -s2p2 9p 2 247.26 1007.54 p i s2p3 -s2p2 4f 1 -561.53 p i s2p3 -s2p2 5f 1 -529.91 p i s2p3 -s2p2 6f 1 -458.08 p i s2p3 -s2p2 7f 1 -391.43 p i s2p3 -s2p2 8f 1 -336.20 p i s2p3 -s2p2 9f 1 -291.47 p i s2p3 -sp3 4s 3 3277.40 1231.94 372.64 p i s2p3 -sp3 5s 3 1667.25 661.22 191.91 p i s2p3 -sp3 6s 3 1053.68 415.20 119.56 p i s2p3 -sp3 7s 3 743.69 290.97 83.54 p i s2p3 -sp3 8s 3 561.26 218.55 62.65 p i s2p3 -sp3 9s 3 443.09 172.03 49.25 p i s2p3 -sp3 3d 2 18374.35 11843.60 p i s2p3 -sp3 4d 2 15150.45 10180.83 p i s2p3 -sp3 5d 2 10746.04 7358.71 p i s2p3 -sp3 6d 2 7861.17 5438.94 p i s2p3 -sp3 7d 2 6024.22 4194.20 p i s2p3 -sp3 8d 2 4795.28 3352.40 p i s2p3 -sp3 9d 2 3930.83 2756.00 p i s2p2 4p -s2p2 5p 4 0.00 2329.18 1175.04 1002.74 p i s2p2 4p -s2p2 6p 4 0.00 1505.27 794.75 683.36 p i s2p2 4p -s2p2 7p 4 0.00 1084.50 585.11 505.04 p i s2p2 4p -s2p2 8p 4 0.00 831.75 454.47 393.15 p i s2p2 4p -s2p2 9p 4 0.00 664.97 366.41 317.41 p i s2p2 4p -s2p2 4f 2 813.04 -12.65 p i s2p2 4p -s2p2 5f 2 645.69 -14.31 p i s2p2 4p -s2p2 6f 2 509.38 -13.45 p i s2p2 4p -s2p2 7f 2 411.59 -12.06 p i s2p2 4p -s2p2 8f 2 340.55 -10.69 p i s2p2 4p -s2p2 9f 2 287.50 -9.47 p i s2p2 4p -sp3 4s 2 10538.16 1977.69 p i s2p2 4p -sp3 5s 2 1669.23 1011.83 p i s2p2 4p -sp3 6s 2 936.25 640.56 p i s2p2 4p -sp3 7s 2 621.13 452.50 p i s2p2 4p -sp3 8s 2 451.62 341.68 p i s2p2 4p -sp3 9s 2 347.62 269.84 p i s2p2 4p -sp3 3d 2 -4635.28 1693.57 p i s2p2 4p -sp3 4d 2 273.00 1532.72 p i s2p2 4p -sp3 5d 2 1032.79 1135.00 p i s2p2 4p -sp3 6d 2 1032.02 849.56 p i s2p2 4p -sp3 7d 2 907.74 660.01 p i s2p2 4p -sp3 8d 2 780.74 530.06 p i s2p2 4p -sp3 9d 2 672.46 437.18 p i s2p2 5p -s2p2 6p 4 0.00 996.83 459.29 404.26 p i s2p2 5p -s2p2 7p 4 0.00 716.32 338.37 299.17 p i s2p2 5p -s2p2 8p 4 0.00 549.10 262.93 233.08 p i s2p2 5p -s2p2 9p 4 0.00 439.00 212.04 188.28 p i s2p2 5p -s2p2 4f 2 53.20 -2.88 p i s2p2 5p -s2p2 5f 2 164.03 -4.07 p i s2p2 5p -s2p2 6f 2 161.93 -4.13 p i s2p2 5p -s2p2 7f 2 143.82 -3.85 p i s2p2 5p -s2p2 8f 2 125.28 -3.49 p i s2p2 5p -s2p2 9f 2 109.20 -3.14 p i s2p2 5p -sp3 4s 2 5302.58 1158.78 p i s2p2 5p -sp3 5s 2 3162.06 594.29 p i s2p2 5p -sp3 6s 2 860.70 376.57 p i s2p2 5p -sp3 7s 2 555.73 266.13 p i s2p2 5p -sp3 8s 2 398.55 201.00 p i s2p2 5p -sp3 9s 2 304.64 158.76 p i s2p2 5p -sp3 3d 2 -1123.49 931.14 p i s2p2 5p -sp3 4d 2 -1411.58 848.51 p i s2p2 5p -sp3 5d 2 -56.77 630.36 p i s2p2 5p -sp3 6d 2 212.86 472.63 p i s2p2 5p -sp3 7d 2 265.29 367.55 p i s2p2 5p -sp3 8d 2 260.63 295.37 p i s2p2 5p -sp3 9d 2 240.68 243.72 p i s2p2 6p -s2p2 7p 4 0.00 511.27 229.37 204.74 p i s2p2 6p -s2p2 8p 4 0.00 391.50 178.26 159.56 p i s2p2 6p -s2p2 9p 4 0.00 312.96 143.77 128.92 p i s2p2 6p -s2p2 4f 2 57.24 -0.74 p i s2p2 6p -s2p2 5f 2 43.00 -1.60 p i s2p2 6p -s2p2 6f 2 62.74 -1.80 p i s2p2 6p -s2p2 7f 2 62.70 -1.75 p i s2p2 6p -s2p2 8f 2 57.80 -1.63 p i s2p2 6p -s2p2 9f 2 52.07 -1.49 p i s2p2 6p -sp3 4s 2 3452.82 790.18 p i s2p2 6p -sp3 5s 2 2026.49 405.66 p i s2p2 6p -sp3 6s 2 1330.57 257.14 p i s2p2 6p -sp3 7s 2 486.06 181.76 p i s2p2 6p -sp3 8s 2 341.66 137.30 p i s2p2 6p -sp3 9s 2 258.27 108.45 p i s2p2 6p -sp3 3d 2 -628.20 617.99 p i s2p2 6p -sp3 4d 2 -510.51 564.80 p i s2p2 6p -sp3 5d 2 -569.29 420.17 p i s2p2 6p -sp3 6d 2 -78.46 315.26 p i s2p2 6p -sp3 7d 2 39.27 245.27 p i s2p2 6p -sp3 8d 2 75.99 197.16 p i s2p2 6p -sp3 9d 2 85.88 162.72 p i s2p2 7p -s2p2 8p 4 0.00 295.85 131.40 118.20 p i s2p2 7p -s2p2 9p 4 0.00 236.36 105.98 95.51 p i s2p2 7p -s2p2 4f 2 41.51 -0.08 p i s2p2 7p -s2p2 5f 2 39.63 -0.74 p i s2p2 7p -s2p2 6f 2 29.90 -0.94 p i s2p2 7p -s2p2 7f 2 33.05 -0.97 p i s2p2 7p -s2p2 8f 2 31.97 -0.92 p i s2p2 7p -s2p2 9f 2 29.61 -0.86 p i s2p2 7p -sp3 4s 2 2496.90 584.29 p i s2p2 7p -sp3 5s 2 1465.06 300.12 p i s2p2 7p -sp3 6s 2 957.71 190.28 p i s2p2 7p -sp3 7s 2 678.08 134.51 p i s2p2 7p -sp3 8s 2 298.19 101.61 p i s2p2 7p -sp3 9s 2 221.90 80.26 p i s2p2 7p -sp3 3d 2 -420.79 450.43 p i s2p2 7p -sp3 4d 2 -318.34 412.30 p i s2p2 7p -sp3 5d 2 -244.88 306.95 p i s2p2 7p -sp3 6d 2 -281.42 230.40 p i s2p2 7p -sp3 7d 2 -65.00 179.29 p i s2p2 7p -sp3 8d 2 -5.35 144.14 p i s2p2 7p -sp3 9d 2 18.05 118.97 p i s2p2 8p -s2p2 9p 4 0.00 186.28 82.38 74.46 p i s2p2 8p -s2p2 4f 2 31.52 0.15 p i s2p2 8p -s2p2 5f 2 30.60 -0.38 p i s2p2 8p -s2p2 6f 2 26.52 -0.56 p i s2p2 8p -s2p2 7f 2 20.70 -0.60 p i s2p2 8p -s2p2 8f 2 20.41 -0.59 p i s2p2 8p -s2p2 9f 2 19.21 -0.55 p i s2p2 8p -sp3 4s 2 1919.14 455.03 p i s2p2 8p -sp3 5s 2 1127.43 233.80 p i s2p2 8p -sp3 6s 2 738.62 148.25 p i s2p2 8p -sp3 7s 2 522.56 104.81 p i s2p2 8p -sp3 8s 2 390.61 79.17 p i s2p2 8p -sp3 9s 2 195.16 62.54 p i s2p2 8p -sp3 3d 2 -308.64 347.75 p i s2p2 8p -sp3 4d 2 -227.00 318.62 p i s2p2 8p -sp3 5d 2 -163.07 237.30 p i s2p2 8p -sp3 6d 2 -134.85 178.17 p i s2p2 8p -sp3 7d 2 -159.51 138.66 p i s2p2 8p -sp3 8d 2 -49.93 111.49 p i s2p2 8p -sp3 9d 2 -16.46 92.03 p i s2p2 9p -s2p2 4f 2 24.92 0.23 p i s2p2 9p -s2p2 5f 2 24.32 -0.20 p i s2p2 9p -s2p2 6f 2 21.33 -0.36 p i s2p2 9p -s2p2 7f 2 18.20 -0.41 p i s2p2 9p -s2p2 8f 2 14.66 -0.41 p i s2p2 9p -s2p2 9f 2 13.76 -0.39 p i s2p2 9p -sp3 4s 2 1536.45 367.49 p i s2p2 9p -sp3 5s 2 903.87 188.86 p i s2p2 9p -sp3 6s 2 593.30 119.76 p i s2p2 9p -sp3 7s 2 420.92 84.67 p i s2p2 9p -sp3 8s 2 314.85 63.96 p i s2p2 9p -sp3 9s 2 244.96 50.53 p i s2p2 9p -sp3 3d 2 -239.29 279.25 p i s2p2 9p -sp3 4d 2 -173.62 256.01 p i s2p2 9p -sp3 5d 2 -121.24 190.73 p i s2p2 9p -sp3 6d 2 -94.05 143.22 p i s2p2 9p -sp3 7d 2 -82.84 111.47 p i s2p2 9p -sp3 8d 2 -99.29 89.63 p i s2p2 9p -sp3 9d 2 -38.02 73.99 p i s2p2 4f -s2p2 5f 4 0.00 266.17 11.70 7.53 p i s2p2 4f -s2p2 6f 4 0.00 188.24 10.03 6.46 p i s2p2 4f -s2p2 7f 4 0.00 143.85 8.53 5.49 p i s2p2 4f -s2p2 8f 4 0.00 115.14 7.30 4.70 p i s2p2 4f -s2p2 9f 4 0.00 95.13 6.32 4.06 p i s2p2 4f -s2p2 6h 2 53.40 0.04 p i s2p2 4f -s2p2 7h 2 51.89 0.05 p i s2p2 4f -s2p2 8h 2 46.28 0.05 p i s2p2 4f -s2p2 9h 2 40.64 0.04 p i s2p2 4f -sp3 3d 2 -2564.82 -145.57 p i s2p2 4f -sp3 4d 2 647.80 -118.04 p i s2p2 4f -sp3 5d 2 165.66 -82.83 p i s2p2 4f -sp3 6d 2 108.12 -60.27 p i s2p2 4f -sp3 7d 2 80.56 -46.05 p i s2p2 4f -sp3 8d 2 63.78 -36.59 p i s2p2 4f -sp3 9d 2 52.40 -29.95 p i s2p2 5f -s2p2 6f 4 0.00 166.09 9.34 6.01 p i s2p2 5f -s2p2 7f 4 0.00 127.41 7.94 5.11 p i s2p2 5f -s2p2 8f 4 0.00 102.26 6.80 4.38 p i s2p2 5f -s2p2 9f 4 0.00 84.65 5.88 3.79 p i s2p2 5f -s2p2 6h 2 -12.65 0.04 p i s2p2 5f -s2p2 7h 2 1.78 0.04 p i s2p2 5f -s2p2 8h 2 6.97 0.04 p i s2p2 5f -s2p2 9h 2 8.70 0.04 p i s2p2 5f -sp3 3d 2 -1935.23 -138.19 p i s2p2 5f -sp3 4d 2 -239.89 -112.32 p i s2p2 5f -sp3 5d 2 446.70 -78.91 p i s2p2 5f -sp3 6d 2 137.12 -57.45 p i s2p2 5f -sp3 7d 2 92.61 -43.91 p i s2p2 5f -sp3 8d 2 70.30 -34.89 p i s2p2 5f -sp3 9d 2 56.48 -28.57 p i s2p2 6f -s2p2 7f 4 0.00 105.55 6.82 4.39 p i s2p2 6f -s2p2 8f 4 0.00 84.85 5.84 3.76 p i s2p2 6f -s2p2 9f 4 0.00 70.33 5.05 3.25 p i s2p2 6f -s2p2 6h 2 -0.03 0.03 p i s2p2 6f -s2p2 7h 2 -5.70 0.04 p i s2p2 6f -s2p2 8h 2 -2.41 0.04 p i s2p2 6f -s2p2 9h 2 -0.30 0.03 p i s2p2 6f -sp3 3d 2 -1500.88 -119.83 p i s2p2 6f -sp3 4d 2 -343.49 -97.52 p i s2p2 6f -sp3 5d 2 127.67 -68.55 p i s2p2 6f -sp3 6d 2 278.72 -49.92 p i s2p2 6f -sp3 7d 2 101.32 -38.16 p i s2p2 6f -sp3 8d 2 71.71 -30.33 p i s2p2 6f -sp3 9d 2 55.81 -24.84 p i s2p2 7f -s2p2 8f 4 0.00 70.41 4.96 3.20 p i s2p2 7f -s2p2 9f 4 0.00 58.40 4.29 2.77 p i s2p2 7f -s2p2 6h 2 0.15 0.03 p i s2p2 7f -s2p2 7h 2 -0.03 0.03 p i s2p2 7f -s2p2 8h 2 -2.66 0.03 p i s2p2 7f -s2p2 9h 2 -1.89 0.03 p i s2p2 7f -sp3 3d 2 -1204.06 -102.58 p i s2p2 7f -sp3 4d 2 -335.01 -83.55 p i s2p2 7f -sp3 5d 2 31.08 -58.75 p i s2p2 7f -sp3 6d 2 143.77 -42.80 p i s2p2 7f -sp3 7d 2 178.30 -32.72 p i s2p2 7f -sp3 8d 2 74.14 -26.01 p i s2p2 7f -sp3 9d 2 54.69 -21.30 p i s2p2 8f -s2p2 9f 4 0.00 49.10 3.68 2.37 p i s2p2 8f -s2p2 6h 2 0.19 0.02 p i s2p2 8f -s2p2 7h 2 0.09 0.03 p i s2p2 8f -s2p2 8h 2 -0.03 0.03 p i s2p2 8f -s2p2 9h 2 -1.33 0.02 p i s2p2 8f -sp3 3d 2 -992.84 -88.22 p i s2p2 8f -sp3 4d 2 -304.39 -71.89 p i s2p2 8f -sp3 5d 2 -7.04 -50.57 p i s2p2 8f -sp3 6d 2 87.18 -36.84 p i s2p2 8f -sp3 7d 2 113.02 -28.16 p i s2p2 8f -sp3 8d 2 119.08 -22.39 p i s2p2 8f -sp3 9d 2 55.00 -18.34 p i s2p2 9f -s2p2 6h 2 0.19 0.02 p i s2p2 9f -s2p2 7h 2 0.14 0.02 p i s2p2 9f -s2p2 8h 2 0.05 0.02 p i s2p2 9f -s2p2 9h 2 -0.03 0.02 p i s2p2 9f -sp3 3d 2 -836.70 -76.55 p i s2p2 9f -sp3 4d 2 -271.76 -62.40 p i s2p2 9f -sp3 5d 2 -23.35 -43.90 p i s2p2 9f -sp3 6d 2 57.32 -31.99 p i s2p2 9f -sp3 7d 2 80.38 -24.46 p i s2p2 9f -sp3 8d 2 84.08 -19.44 p i s2p2 9f -sp3 9d 2 82.85 -15.92 p i s2p2 6h -s2p2 7h 4 0.00 19.34 0.00 0.00 p i s2p2 6h -s2p2 8h 4 0.00 13.60 0.00 0.00 p i s2p2 6h -s2p2 9h 4 0.00 10.41 0.00 0.00 p i s2p2 6h -s2p2 8k 2 7.69 0.00 p i s2p2 6h -s2p2 9k 2 7.65 0.00 p i s2p2 7h -s2p2 8h 4 0.00 14.93 0.00 0.00 p i s2p2 7h -s2p2 9h 4 0.00 11.49 0.00 0.00 p i s2p2 7h -s2p2 8k 2 -1.68 0.00 p i s2p2 7h -s2p2 9k 2 1.22 0.00 p i s2p2 8h -s2p2 9h 4 0.00 10.94 0.00 0.00 p i s2p2 8h -s2p2 8k 2 0.00 0.00 p i s2p2 8h -s2p2 9k 2 -1.00 0.00 p i s2p2 9h -s2p2 8k 2 0.02 0.00 p i s2p2 9h -s2p2 9k 2 0.00 0.00 p i s2p2 8k -s2p2 9k 4 0.00 3.06 0.00 0.00 p i sp3 4s -sp3 5s 4 0.00 1209.72 0.00 1384.69 p i sp3 4s -sp3 6s 4 0.00 770.19 0.00 872.92 p i sp3 4s -sp3 7s 4 0.00 545.71 0.00 615.92 p i sp3 4s -sp3 8s 4 0.00 412.79 0.00 464.86 p i sp3 4s -sp3 9s 4 0.00 326.36 0.00 367.01 p i sp3 4s -sp3 3d 2 -4457.55 -497.26 p i sp3 4s -sp3 4d 2 -2151.84 -168.66 p i sp3 4s -sp3 5d 2 -1068.16 -31.58 p i sp3 4s -sp3 6d 2 -606.53 11.53 p i sp3 4s -sp3 7d 2 -385.36 24.62 p i sp3 4s -sp3 8d 2 -265.69 27.74 p i sp3 4s -sp3 9d 2 -194.44 27.35 p i sp3 5s -sp3 6s 4 0.00 399.41 0.00 446.11 p i sp3 5s -sp3 7s 4 0.00 283.09 0.00 315.58 p i sp3 5s -sp3 8s 4 0.00 214.18 0.00 238.51 p i sp3 5s -sp3 9s 4 0.00 169.35 0.00 188.47 p i sp3 5s -sp3 3d 2 -1257.86 -267.22 p i sp3 5s -sp3 4d 2 -1242.18 -111.97 p i sp3 5s -sp3 5d 2 -755.60 -39.09 p i sp3 5s -sp3 6d 2 -491.33 -12.55 p i sp3 5s -sp3 7d 2 -346.24 -2.26 p i sp3 5s -sp3 8d 2 -259.40 2.00 p i sp3 5s -sp3 9d 2 -203.28 3.80 p i sp3 6s -sp3 7s 4 0.00 180.43 0.00 200.55 p i sp3 6s -sp3 8s 4 0.00 136.52 0.00 151.64 p i sp3 6s -sp3 9s 4 0.00 107.96 0.00 119.85 p i sp3 6s -sp3 3d 2 -732.70 -176.34 p i sp3 6s -sp3 4d 2 -618.93 -79.16 p i sp3 6s -sp3 5d 2 -486.61 -31.37 p i sp3 6s -sp3 6d 2 -335.36 -13.05 p i sp3 6s -sp3 7d 2 -244.02 -5.46 p i sp3 6s -sp3 8d 2 -186.73 -1.99 p i sp3 6s -sp3 9d 2 -148.57 -0.30 p i sp3 7s -sp3 8s 4 0.00 96.79 0.00 107.40 p i sp3 7s -sp3 9s 4 0.00 76.54 0.00 84.90 p i sp3 7s -sp3 3d 2 -498.11 -127.50 p i sp3 7s -sp3 4d 2 -417.43 -59.06 p i sp3 7s -sp3 5d 2 -301.79 -24.61 p i sp3 7s -sp3 6d 2 -235.59 -11.09 p i sp3 7s -sp3 7d 2 -175.81 -5.33 p i sp3 7s -sp3 8d 2 -136.37 -2.59 p i sp3 7s -sp3 9d 2 -109.45 -1.19 p i sp3 8s -sp3 9s 4 0.00 57.92 0.00 64.21 p i sp3 8s -sp3 3d 2 -368.06 -97.61 p i sp3 8s -sp3 4d 2 -307.95 -45.99 p i sp3 8s -sp3 5d 2 -221.13 -19.67 p i sp3 8s -sp3 6d 2 -164.04 -9.20 p i sp3 8s -sp3 7d 2 -131.36 -4.67 p i sp3 8s -sp3 8d 2 -103.27 -2.48 p i sp3 8s -sp3 9d 2 -83.49 -1.33 p i sp3 9s -sp3 3d 2 -286.61 -77.76 p i sp3 9s -sp3 4d 2 -239.83 -37.02 p i sp3 9s -sp3 5d 2 -171.84 -16.07 p i sp3 9s -sp3 6d 2 -126.83 -7.68 p i sp3 9s -sp3 7d 2 -98.23 -4.01 p i sp3 9s -sp3 8d 2 -80.68 -2.22 p i sp3 9s -sp3 9d 2 -65.77 -1.27 p i sp3 3d -sp3 4d 6 0.00 2639.34 0.00 4566.26 4729.13 2719.34 p i sp3 3d -sp3 5d 6 0.00 1907.77 0.00 2941.81 3334.11 1924.22 p i sp3 3d -sp3 6d 6 0.00 1410.20 0.00 2047.22 2431.34 1405.87 p i sp3 3d -sp3 7d 6 0.00 1087.60 0.00 1522.96 1859.82 1076.59 p i sp3 3d -sp3 8d 6 0.00 869.41 0.00 1189.01 1478.74 856.59 p i sp3 3d -sp3 9d 6 0.00 714.80 0.00 961.57 1211.23 701.97 p i sp3 4d -sp3 5d 6 0.00 1649.16 0.00 2528.76 2755.05 1606.42 p i sp3 4d -sp3 6d 6 0.00 1219.94 0.00 1791.48 2013.12 1176.61 p i sp3 4d -sp3 7d 6 0.00 941.28 0.00 1346.84 1541.73 902.37 p i sp3 4d -sp3 8d 6 0.00 752.66 0.00 1058.81 1226.75 718.68 p i sp3 4d -sp3 9d 6 0.00 618.94 0.00 860.46 1005.36 589.35 p i sp3 5d -sp3 6d 6 0.00 883.93 0.00 1298.07 1428.87 839.35 p i sp3 5d -sp3 7d 6 0.00 682.17 0.00 981.36 1094.93 644.18 p i sp3 5d -sp3 8d 6 0.00 545.55 0.00 774.31 871.56 513.28 p i sp3 5d -sp3 9d 6 0.00 448.67 0.00 630.85 714.45 421.05 p i sp3 6d -sp3 7d 6 0.00 504.97 0.00 726.47 801.52 472.88 p i sp3 6d -sp3 8d 6 0.00 403.87 0.00 574.41 638.13 376.89 p i sp3 6d -sp3 9d 6 0.00 332.16 0.00 468.70 523.17 309.22 p i sp3 7d -sp3 8d 6 0.00 311.75 0.00 443.37 489.29 289.47 p i sp3 7d -sp3 9d 6 0.00 256.41 0.00 362.10 401.18 237.53 p i sp3 8d -sp3 9d 6 0.00 205.10 0.00 289.61 319.47 189.37 p i s2p2 4s 4 49310.32E 45336.65F 325.79z 2727.84g p i s2p2 5s 4 65862.50E 45883.53F 331.21z 704.62g p i s2p2 6s 4 71200.25E 45989.32F 332.36z 286.55g p i s2p2 7s 4 73642.53E 46023.61F 332.74z 144.37g p i s2p2 8s 4 74966.18E 46038.18F 332.91z 82.83g p i s2p2 9s 4 75764.63E 46045.45F 333.00z 51.88g p i s2p2 3d 7 63500.27E 45661.59F 329.02z 0.20z 6168.00f 4761.87g 2708.75g p i s2p2 4d 7 70145.62E 45809.18F 330.29z 0.15z 3388.67f 3341.29g 1931.33g p i s2p2 5d 7 73117.58E 45929.81F 331.60z 0.09z 1720.29f 1802.77g 1051.21g p i s2p2 6d 7 74664.30E 45987.53F 332.28z 0.05z 939.28f 1005.87g 589.54g p i s2p2 7d 7 75573.28E 46015.74F 332.62z 0.03z 559.30f 604.64g 355.52g p i s2p2 8d 7 76154.02E 46030.77F 332.80z 0.02z 357.71f 388.52g 228.94g p i s2p2 9d 7 76547.60E 46039.42F 332.91z 0.01z 241.96f 263.44g 155.48g p i s2p2 5g 7 73590.17E 46057.58F 333.14z 0.01z 107.48f 0.07g 0.05g p i s2p2 6g 7 74931.67E 46057.58F 333.14z 0.00z 62.22f 0.08g 0.06g p i s2p2 7g 7 75740.90E 46057.58F 333.14z 0.00z 39.19f 0.07g 0.05g p i s2p2 8g 7 76266.50E 46057.59F 333.14z 0.00z 26.26f 0.05g 0.04g p i s2p2 9g 7 76626.97E 46057.59F 333.14z 0.00z 18.45f 0.04g 0.03g p i s2p2 7i 7 75743.50E 46057.59F 333.14z 0.00z 12.91f 0.00g 0.00g p i s2p2 8i 7 76268.40E 46057.59F 333.14z 0.00z 8.65f 0.00g 0.00g p i s2p2 9i 7 76628.26E 46057.59F 333.14z 0.00z 6.08f 0.00g 0.00g p i sp4 4 76885.49E 42051.80F 285.34z 59865.21g p i sp3 4p 9 134804.05E 46422.31F 340.80z 20.90z 4849.02f 65037.08g 2425.47g 1978.55g p i sp3 4p 1685.37g p i sp3 5p 9 144708.76E 46605.65F 342.96z 7.76z 1590.14f 65237.81g 834.17g 660.01g p i sp3 5p 584.40g p i sp3 6p 9 148447.54E 46658.75F 343.59z 3.73z 722.36f 65296.47g 387.81g 302.89g p i sp3 6p 272.79g p i sp3 7p 9 150295.76E 46679.74F 343.85z 2.07z 389.54f 65319.82g 211.83g 164.31g p i sp3 7p 149.33g p i sp3 8p 9 151347.53E 46689.71F 343.97z 1.27z 234.11f 65330.95g 128.32g 99.13g p i sp3 8p 90.58g p i sp3 9p 9 152004.01E 46695.05F 344.04z 0.83z 151.70f 65336.94g 83.60g 64.41g p i sp3 9p 59.06g p i sp3 4f 9 147033.15E 46702.98F 344.14z 0.02z 442.95f 65346.21g 2.93g 11.81g p i sp3 4f 7.59g p i sp3 5f 9 149527.12E 46703.31F 344.15z 0.01z 230.67f 65346.51g 2.69g 10.33g p i sp3 5f 6.65g p i sp3 6f 9 150887.02E 46703.81F 344.15z 0.00z 135.41f 65346.98g 2.05g 7.66g p i sp3 6f 4.93g p i sp3 7f 9 151706.97E 46704.17F 344.15z 0.00z 86.26f 65347.32g 1.51g 5.57g p i sp3 7f 3.59g p i sp3 8f 9 152238.76E 46704.42F 344.15z 0.00z 58.33f 65347.56g 1.13g 4.10g p i sp3 8f 2.64g p i sp3 9f 9 152603.18E 46704.59F 344.16z 0.00z 41.29f 65347.72g 0.85g 3.07g p i sp3 9f 1.98g p i s2p2 4s -s2p2 5s 2 0.00 1371.17 p i s2p2 4s -s2p2 6s 2 0.00 868.40 p i s2p2 4s -s2p2 7s 2 0.00 614.16 p i s2p2 4s -s2p2 8s 2 0.00 464.19 p i s2p2 4s -s2p2 9s 2 0.00 366.84 p i s2p2 4s -s2p2 3d 2 -4330.09 -518.18 p i s2p2 4s -s2p2 4d 2 -2237.94 -218.65 p i s2p2 4s -s2p2 5d 2 -1208.07 -78.99 p i s2p2 4s -s2p2 6d 2 -730.11 -25.53 p i s2p2 4s -s2p2 7d 2 -486.09 -4.16 p i s2p2 4s -s2p2 8d 2 -347.74 4.83 p i s2p2 4s -s2p2 9d 2 -262.28 8.65 p i s2p2 4s -sp4 1 2102.89 p i s2p2 4s -sp3 4p 2 10896.96 1557.17 p i s2p2 4s -sp3 5p 2 5356.93 964.92 p i s2p2 4s -sp3 6p 2 3459.70 671.36 p i s2p2 4s -sp3 7p 2 2490.30 501.19 p i s2p2 4s -sp3 8p 2 1908.19 392.36 p i s2p2 4s -sp3 9p 2 1524.28 317.86 p i s2p2 5s -s2p2 6s 2 0.00 448.96 p i s2p2 5s -s2p2 7s 2 0.00 318.38 p i s2p2 5s -s2p2 8s 2 0.00 241.00 p i s2p2 5s -s2p2 9s 2 0.00 190.63 p i s2p2 5s -s2p2 3d 2 -1213.36 -278.71 p i s2p2 5s -s2p2 4d 2 -1239.35 -136.40 p i s2p2 5s -s2p2 5d 2 -796.42 -62.64 p i s2p2 5s -s2p2 6d 2 -536.21 -31.21 p i s2p2 5s -s2p2 7d 2 -385.99 -16.88 p i s2p2 5s -s2p2 8d 2 -293.22 -9.69 p i s2p2 5s -s2p2 9d 2 -232.00 -5.78 p i s2p2 5s -sp4 1 1049.57 p i s2p2 5s -sp3 4p 2 2048.66 777.92 p i s2p2 5s -sp3 5p 2 3365.72 484.53 p i s2p2 5s -sp3 6p 2 2114.80 337.85 p i s2p2 5s -sp3 7p 2 1516.85 252.50 p i s2p2 5s -sp3 8p 2 1161.95 197.80 p i s2p2 5s -sp3 9p 2 928.70 160.32 p i s2p2 6s -s2p2 7s 2 0.00 203.36 p i s2p2 6s -s2p2 8s 2 0.00 154.00 p i s2p2 6s -s2p2 9s 2 0.00 121.85 p i s2p2 6s -s2p2 3d 2 -708.83 -183.63 p i s2p2 6s -s2p2 4d 2 -614.82 -94.36 p i s2p2 6s -s2p2 5d 2 -502.91 -46.17 p i s2p2 6s -s2p2 6d 2 -357.76 -24.85 p i s2p2 6s -s2p2 7d 2 -265.25 -14.73 p i s2p2 6s -s2p2 8d 2 -205.39 -9.43 p i s2p2 6s -s2p2 9d 2 -164.72 -6.40 p i s2p2 6s -sp4 1 654.35 p i s2p2 6s -sp3 4p 2 1154.93 489.69 p i s2p2 6s -sp3 5p 2 1033.71 305.58 p i s2p2 6s -sp3 6p 2 1441.05 213.24 p i s2p2 6s -sp3 7p 2 1019.17 159.43 p i s2p2 6s -sp3 8p 2 780.08 124.93 p i s2p2 6s -sp3 9p 2 623.79 101.27 p i s2p2 7s -s2p2 8s 2 0.00 109.35 p i s2p2 7s -s2p2 9s 2 0.00 86.53 p i s2p2 7s -s2p2 3d 2 -482.27 -132.62 p i s2p2 7s -s2p2 4d 2 -415.12 -69.68 p i s2p2 7s -s2p2 5d 2 -311.78 -35.02 p i s2p2 7s -s2p2 6d 2 -248.86 -19.42 p i s2p2 7s -s2p2 7d 2 -189.12 -11.88 p i s2p2 7s -s2p2 8d 2 -148.36 -7.86 p i s2p2 7s -s2p2 9d 2 -119.98 -5.51 p i s2p2 7s -sp4 1 458.32 p i s2p2 7s -sp3 4p 2 770.95 345.13 p i s2p2 7s -sp3 5p 2 667.65 215.57 p i s2p2 7s -sp3 6p 2 577.77 150.49 p i s2p2 7s -sp3 7p 2 742.60 112.54 p i s2p2 7s -sp3 8p 2 563.30 88.19 p i s2p2 7s -sp3 9p 2 450.48 71.50 p i s2p2 8s -s2p2 9s 2 0.00 65.55 p i s2p2 8s -s2p2 3d 2 -356.49 -101.46 p i s2p2 8s -s2p2 4d 2 -306.33 -53.95 p i s2p2 8s -s2p2 5d 2 -228.62 -27.51 p i s2p2 8s -s2p2 6d 2 -173.41 -15.48 p i s2p2 8s -s2p2 7d 2 -140.54 -9.62 p i s2p2 8s -s2p2 8d 2 -111.73 -6.46 p i s2p2 8s -s2p2 9d 2 -91.00 -4.60 p i s2p2 8s -sp4 1 344.40 p i s2p2 8s -sp3 4p 2 563.11 260.32 p i s2p2 8s -sp3 5p 2 480.50 162.68 p i s2p2 8s -sp3 6p 2 405.65 113.59 p i s2p2 8s -sp3 7p 2 352.28 84.96 p i s2p2 8s -sp3 8p 2 431.10 66.58 p i s2p2 8s -sp3 9p 2 342.54 53.98 p i s2p2 9s -s2p2 3d 2 -277.66 -80.78 p i s2p2 9s -s2p2 4d 2 -238.60 -43.28 p i s2p2 9s -s2p2 5d 2 -177.70 -22.25 p i s2p2 9s -s2p2 6d 2 -134.16 -12.64 p i s2p2 9s -s2p2 7d 2 -105.20 -7.92 p i s2p2 9s -s2p2 8d 2 -87.02 -5.36 p i s2p2 9s -s2p2 9d 2 -71.44 -3.85 p i s2p2 9s -sp4 1 271.23 p i s2p2 9s -sp3 4p 2 434.95 205.47 p i s2p2 9s -sp3 5p 2 368.37 128.45 p i s2p2 9s -sp3 6p 2 307.32 89.70 p i s2p2 9s -sp3 7p 2 261.68 67.09 p i s2p2 9s -sp3 8p 2 229.62 52.58 p i s2p2 9s -sp3 9p 2 271.90 42.63 p i s2p2 3d -s2p2 4d 4 0.00 4028.44 3973.56 2276.34 p i s2p2 3d -s2p2 5d 4 0.00 2675.75 2905.19 1669.81 p i s2p2 3d -s2p2 6d 4 0.00 1894.28 2163.08 1245.43 p i s2p2 3d -s2p2 7d 4 0.00 1421.65 1673.43 964.49 p i s2p2 3d -s2p2 8d 4 0.00 1115.32 1339.41 772.48 p i s2p2 3d -s2p2 9d 4 0.00 904.56 1101.73 635.69 p i s2p2 3d -s2p2 5g 2 182.65 9.47 p i s2p2 3d -s2p2 6g 2 174.95 10.03 p i s2p2 3d -s2p2 7g 2 153.74 9.34 p i s2p2 3d -s2p2 8g 2 133.21 8.40 p i s2p2 3d -s2p2 9g 2 115.72 7.48 p i s2p2 3d -sp4 1 15736.24 p i s2p2 3d -sp3 4p 2 -5148.14 2370.47 p i s2p2 3d -sp3 5p 2 -1241.58 1327.45 p i s2p2 3d -sp3 6p 2 -702.20 887.27 p i s2p2 3d -sp3 7p 2 -472.50 648.82 p i s2p2 3d -sp3 8p 2 -347.37 501.75 p i s2p2 3d -sp3 9p 2 -269.69 403.28 p i s2p2 3d -sp3 4f 2 -2595.29 -91.01 p i s2p2 3d -sp3 5f 2 -1939.95 -87.51 p i s2p2 3d -sp3 6f 2 -1498.58 -76.42 p i s2p2 3d -sp3 7f 2 -1199.70 -65.71 p i s2p2 3d -sp3 8f 2 -988.01 -56.68 p i s2p2 3d -sp3 9f 2 -831.97 -49.29 p i s2p2 4d -s2p2 5d 4 0.00 2322.90 2452.06 1423.28 p i s2p2 4d -s2p2 6d 4 0.00 1673.71 1829.34 1064.23 p i s2p2 4d -s2p2 7d 4 0.00 1269.52 1416.92 825.41 p i s2p2 4d -s2p2 8d 4 0.00 1003.01 1134.96 661.75 p i s2p2 4d -s2p2 9d 4 0.00 817.57 934.06 544.95 p i s2p2 4d -s2p2 5g 2 -89.94 7.11 p i s2p2 4d -s2p2 6g 2 -52.77 7.55 p i s2p2 4d -s2p2 7g 2 -32.84 7.04 p i s2p2 4d -s2p2 8g 2 -21.85 6.33 p i s2p2 4d -s2p2 9g 2 -15.37 5.65 p i s2p2 4d -sp4 1 13362.25 p i s2p2 4d -sp3 4p 2 -526.92 2113.26 p i s2p2 4d -sp3 5p 2 -1714.19 1188.98 p i s2p2 4d -sp3 6p 2 -637.72 796.23 p i s2p2 4d -sp3 7p 2 -405.59 582.82 p i s2p2 4d -sp3 8p 2 -292.01 450.97 p i s2p2 4d -sp3 9p 2 -224.59 362.60 p i s2p2 4d -sp3 4f 2 509.85 -74.91 p i s2p2 4d -sp3 5f 2 -365.26 -72.20 p i s2p2 4d -sp3 6f 2 -435.42 -63.13 p i s2p2 4d -sp3 7f 2 -405.69 -54.32 p i s2p2 4d -sp3 8f 2 -360.99 -46.88 p i s2p2 4d -sp3 9f 2 -318.48 -40.78 p i s2p2 5d -s2p2 6d 4 0.00 1249.68 1346.26 786.97 p i s2p2 5d -s2p2 7d 4 0.00 953.37 1043.35 610.82 p i s2p2 5d -s2p2 8d 4 0.00 756.10 836.05 489.94 p i s2p2 5d -s2p2 9d 4 0.00 617.95 688.24 403.60 p i s2p2 5d -s2p2 5g 2 -6.03 4.92 p i s2p2 5d -s2p2 6g 2 -33.08 5.23 p i s2p2 5d -s2p2 7g 2 -30.71 4.88 p i s2p2 5d -s2p2 8g 2 -25.97 4.40 p i s2p2 5d -s2p2 9g 2 -21.83 3.92 p i s2p2 5d -sp4 1 9859.72 p i s2p2 5d -sp3 4p 2 450.94 1595.71 p i s2p2 5d -sp3 5p 2 -402.44 899.82 p i s2p2 5d -sp3 6p 2 -740.28 603.13 p i s2p2 5d -sp3 7p 2 -336.05 441.68 p i s2p2 5d -sp3 8p 2 -229.70 341.86 p i s2p2 5d -sp3 9p 2 -173.06 274.92 p i s2p2 5d -sp3 4f 2 123.43 -54.33 p i s2p2 5d -sp3 5f 2 368.87 -52.44 p i s2p2 5d -sp3 6f 2 47.33 -45.87 p i s2p2 5d -sp3 7f 2 -35.81 -39.49 p i s2p2 5d -sp3 8f 2 -62.73 -34.09 p i s2p2 5d -sp3 9f 2 -70.42 -29.66 p i s2p2 6d -s2p2 7d 4 0.00 718.21 779.79 457.76 p i s2p2 6d -s2p2 8d 4 0.00 570.89 624.98 367.26 p i s2p2 6d -s2p2 9d 4 0.00 467.34 514.56 302.60 p i s2p2 6d -s2p2 5g 2 -6.33 3.55 p i s2p2 6d -s2p2 6g 2 -5.32 3.78 p i s2p2 6d -s2p2 7g 2 -14.07 3.53 p i s2p2 6d -s2p2 8g 2 -14.78 3.18 p i s2p2 6d -s2p2 9g 2 -13.75 2.83 p i s2p2 6d -sp4 1 7378.17 p i s2p2 6d -sp3 4p 2 626.72 1209.13 p i s2p2 6d -sp3 5p 2 -48.72 682.66 p i s2p2 6d -sp3 6p 2 -251.66 457.80 p i s2p2 6d -sp3 7p 2 -381.08 335.34 p i s2p2 6d -sp3 8p 2 -195.28 259.59 p i s2p2 6d -sp3 9p 2 -140.31 208.78 p i s2p2 6d -sp3 4f 2 81.88 -40.27 p i s2p2 6d -sp3 5f 2 109.78 -38.89 p i s2p2 6d -sp3 6f 2 238.40 -34.03 p i s2p2 6d -sp3 7f 2 99.87 -29.30 p i s2p2 6d -sp3 8f 2 48.26 -25.30 p i s2p2 6d -sp3 9f 2 23.45 -22.01 p i s2p2 7d -s2p2 8d 4 0.00 444.83 484.66 285.28 p i s2p2 7d -s2p2 9d 4 0.00 364.51 399.06 235.08 p i s2p2 7d -s2p2 5g 2 -4.91 2.70 p i s2p2 7d -s2p2 6g 2 -5.37 2.87 p i s2p2 7d -s2p2 7g 2 -4.18 2.68 p i s2p2 7d -s2p2 8g 2 -7.22 2.41 p i s2p2 7d -s2p2 9g 2 -7.75 2.15 p i s2p2 7d -sp4 1 5725.31 p i s2p2 7d -sp3 4p 2 611.90 945.34 p i s2p2 7d -sp3 5p 2 67.11 534.12 p i s2p2 7d -sp3 6p 2 -98.06 358.30 p i s2p2 7d -sp3 7p 2 -162.60 262.50 p i s2p2 7d -sp3 8p 2 -221.33 203.22 p i s2p2 7d -sp3 9p 2 -123.54 163.45 p i s2p2 7d -sp3 4f 2 62.48 -31.06 p i s2p2 7d -sp3 5f 2 73.82 -30.01 p i s2p2 7d -sp3 6f 2 84.46 -26.27 p i s2p2 7d -sp3 7f 2 155.99 -22.62 p i s2p2 7d -sp3 8f 2 88.11 -19.53 p i s2p2 7d -sp3 9f 2 57.45 -17.00 p i s2p2 8d -s2p2 9d 4 0.00 293.13 319.92 188.67 p i s2p2 8d -s2p2 5g 2 -3.93 2.13 p i s2p2 8d -s2p2 6g 2 -4.34 2.27 p i s2p2 8d -s2p2 7g 2 -4.09 2.12 p i s2p2 8d -s2p2 8g 2 -3.19 1.91 p i s2p2 8d -s2p2 9g 2 -4.31 1.70 p i s2p2 8d -sp4 1 4591.57 p i s2p2 8d -sp3 4p 2 554.23 761.88 p i s2p2 8d -sp3 5p 2 105.59 430.67 p i s2p2 8d -sp3 6p 2 -33.60 288.96 p i s2p2 8d -sp3 7p 2 -85.66 211.72 p i s2p2 8d -sp3 8p 2 -109.95 163.92 p i s2p2 8d -sp3 9p 2 -139.93 131.85 p i s2p2 8d -sp3 4f 2 50.42 -24.81 p i s2p2 8d -sp3 5f 2 56.46 -23.98 p i s2p2 8d -sp3 6f 2 59.12 -20.99 p i s2p2 8d -sp3 7f 2 63.38 -18.08 p i s2p2 8d -sp3 8f 2 105.75 -15.61 p i s2p2 8d -sp3 9f 2 69.03 -13.58 p i s2p2 9d -s2p2 5g 2 -3.24 1.74 p i s2p2 9d -s2p2 6g 2 -3.57 1.85 p i s2p2 9d -s2p2 7g 2 -3.41 1.73 p i s2p2 9d -s2p2 8g 2 -3.07 1.56 p i s2p2 9d -s2p2 9g 2 -2.44 1.39 p i s2p2 9d -sp4 1 3781.99 p i s2p2 9d -sp3 4p 2 492.29 629.69 p i s2p2 9d -sp3 5p 2 115.62 356.07 p i s2p2 9d -sp3 6p 2 -3.52 238.93 p i s2p2 9d -sp3 7p 2 -48.34 175.08 p i s2p2 9d -sp3 8p 2 -67.24 135.56 p i s2p2 9d -sp3 9p 2 -77.43 109.04 p i s2p2 9d -sp3 4f 2 42.03 -20.38 p i s2p2 9d -sp3 5f 2 45.75 -19.70 p i s2p2 9d -sp3 6f 2 46.04 -17.25 p i s2p2 9d -sp3 7f 2 46.14 -14.85 p i s2p2 9d -sp3 8f 2 47.84 -12.83 p i s2p2 9d -sp3 9f 2 74.36 -11.16 p i s2p2 5g -s2p2 6g 4 0.00 62.28 0.08 0.05 p i s2p2 5g -s2p2 7g 4 0.00 44.05 0.07 0.05 p i s2p2 5g -s2p2 8g 4 0.00 33.78 0.06 0.04 p i s2p2 5g -s2p2 9g 4 0.00 27.16 0.06 0.04 p i s2p2 5g -s2p2 7i 2 18.70 0.00 p i s2p2 5g -s2p2 8i 2 18.49 0.00 p i s2p2 5g -s2p2 9i 2 16.74 0.00 p i s2p2 5g -sp3 4f 2 -948.79 -0.38 p i s2p2 5g -sp3 5f 2 2.02 -0.36 p i s2p2 5g -sp3 6f 2 -30.85 -0.31 p i s2p2 5g -sp3 7f 2 -24.96 -0.26 p i s2p2 5g -sp3 8f 2 -19.89 -0.23 p i s2p2 5g -sp3 9f 2 -16.22 -0.20 p i s2p2 6g -s2p2 7g 4 0.00 43.73 0.07 0.05 p i s2p2 6g -s2p2 8g 4 0.00 33.67 0.07 0.05 p i s2p2 6g -s2p2 9g 4 0.00 27.15 0.06 0.04 p i s2p2 6g -s2p2 7i 2 -4.24 0.00 p i s2p2 6g -s2p2 8i 2 1.87 0.00 p i s2p2 6g -s2p2 9i 2 4.06 0.00 p i s2p2 6g -sp3 4f 2 -670.48 -0.40 p i s2p2 6g -sp3 5f 2 -355.13 -0.38 p i s2p2 6g -sp3 6f 2 2.14 -0.33 p i s2p2 6g -sp3 7f 2 -23.31 -0.28 p i s2p2 6g -sp3 8f 2 -20.64 -0.24 p i s2p2 6g -sp3 9f 2 -17.35 -0.21 p i s2p2 7g -s2p2 8g 4 0.00 29.99 0.06 0.04 p i s2p2 7g -s2p2 9g 4 0.00 24.23 0.05 0.04 p i s2p2 7g -s2p2 7i 2 0.00 0.00 p i s2p2 7g -s2p2 8i 2 -2.24 0.00 p i s2p2 7g -s2p2 9i 2 -0.51 0.00 p i s2p2 7g -sp3 4f 2 -506.76 -0.37 p i s2p2 7g -sp3 5f 2 -317.55 -0.35 p i s2p2 7g -sp3 6f 2 -159.66 -0.30 p i s2p2 7g -sp3 7f 2 1.88 -0.26 p i s2p2 7g -sp3 8f 2 -16.14 -0.22 p i s2p2 7g -sp3 9f 2 -15.26 -0.19 p i s2p2 8g -s2p2 9g 4 0.00 21.11 0.05 0.03 p i s2p2 8g -s2p2 7i 2 0.06 0.00 p i s2p2 8g -s2p2 8i 2 0.00 0.00 p i s2p2 8g -s2p2 9i 2 -1.17 0.00 p i s2p2 8g -sp3 4f 2 -401.86 -0.33 p i s2p2 8g -sp3 5f 2 -268.26 -0.32 p i s2p2 8g -sp3 6f 2 -159.79 -0.27 p i s2p2 8g -sp3 7f 2 -81.34 -0.23 p i s2p2 8g -sp3 8f 2 1.57 -0.20 p i s2p2 8g -sp3 9f 2 -11.12 -0.17 p i s2p2 9g -s2p2 7i 2 0.07 0.00 p i s2p2 9g -s2p2 8i 2 0.05 0.00 p i s2p2 9g -s2p2 9i 2 0.00 0.00 p i s2p2 9g -sp3 4f 2 -329.63 -0.30 p i s2p2 9g -sp3 5f 2 -227.35 -0.28 p i s2p2 9g -sp3 6f 2 -144.38 -0.24 p i s2p2 9g -sp3 7f 2 -87.18 -0.21 p i s2p2 9g -sp3 8f 2 -45.37 -0.18 p i s2p2 9g -sp3 9f 2 1.29 -0.15 p i s2p2 7i -s2p2 8i 4 0.00 7.20 0.00 0.00 p i s2p2 7i -s2p2 9i 4 0.00 5.01 0.00 0.00 p i s2p2 8i -s2p2 9i 4 0.00 5.98 0.00 0.00 p i sp4 -sp3 4p 4 1876.99 11107.55 1430.03 6052.05 p i sp4 -sp3 5p 4 1082.46 6392.53 805.19 3360.35 p i sp4 -sp3 6p 4 732.52 4322.58 539.07 2237.22 p i sp4 -sp3 7p 4 539.18 3180.42 394.48 1632.42 p i sp4 -sp3 8p 4 418.61 2468.67 305.19 1260.73 p i sp4 -sp3 9p 4 337.31 1989.00 245.36 1012.41 p i sp4 -sp3 4f 1 -544.37 p i sp4 -sp3 5f 1 -517.27 p i sp4 -sp3 6f 1 -448.89 p i sp4 -sp3 7f 1 -384.53 p i sp4 -sp3 8f 1 -330.86 p i sp4 -sp3 9f 1 -287.21 p i sp3 4p -sp3 5p 6 0.00 1420.95 0.00 2354.20 1140.99 989.40 p i sp3 4p -sp3 6p 6 0.00 967.86 0.00 1518.56 771.76 673.99 p i sp3 4p -sp3 7p 6 0.00 714.84 0.00 1092.38 567.88 497.72 p i sp3 4p -sp3 8p 6 0.00 556.12 0.00 836.73 440.80 387.15 p i sp3 4p -sp3 9p 6 0.00 448.72 0.00 668.25 355.16 312.34 p i sp3 4p -sp3 4f 2 803.35 -10.96 p i sp3 4p -sp3 5f 2 642.32 -12.72 p i sp3 4p -sp3 6f 2 508.65 -12.08 p i sp3 4p -sp3 7f 2 412.01 -10.89 p i sp3 4p -sp3 8f 2 341.48 -9.69 p i sp3 4p -sp3 9f 2 288.64 -8.60 p i sp3 5p -sp3 6p 6 0.00 568.67 0.00 1004.18 446.99 399.08 p i sp3 5p -sp3 7p 6 0.00 420.19 0.00 720.64 329.12 295.08 p i sp3 5p -sp3 8p 6 0.00 326.98 0.00 551.79 255.56 229.70 p i sp3 5p -sp3 9p 6 0.00 263.88 0.00 440.74 205.96 185.41 p i sp3 5p -sp3 4f 2 46.28 -2.28 p i sp3 5p -sp3 5f 2 156.72 -3.48 p i sp3 5p -sp3 6f 2 156.56 -3.61 p i sp3 5p -sp3 7f 2 139.84 -3.41 p i sp3 5p -sp3 8f 2 122.24 -3.11 p i sp3 5p -sp3 9f 2 106.81 -2.81 p i sp3 6p -sp3 7p 6 0.00 286.60 0.00 513.52 223.07 201.81 p i sp3 6p -sp3 8p 6 0.00 223.05 0.00 392.82 173.25 157.14 p i sp3 6p -sp3 9p 6 0.00 180.02 0.00 313.74 139.63 126.86 p i sp3 6p -sp3 4f 2 53.95 -0.43 p i sp3 6p -sp3 5f 2 39.50 -1.29 p i sp3 6p -sp3 6f 2 59.18 -1.52 p i sp3 6p -sp3 7f 2 59.75 -1.51 p i sp3 6p -sp3 8f 2 55.40 -1.42 p i sp3 6p -sp3 9f 2 50.09 -1.31 p i sp3 7p -sp3 8p 6 0.00 164.87 0.00 296.45 127.62 116.30 p i sp3 7p -sp3 9p 6 0.00 133.07 0.00 236.64 102.87 93.90 p i sp3 7p -sp3 4f 2 39.13 0.11 p i sp3 7p -sp3 5f 2 37.48 -0.55 p i sp3 7p -sp3 6f 2 27.93 -0.77 p i sp3 7p -sp3 7f 2 31.13 -0.81 p i sp3 7p -sp3 8f 2 30.31 -0.78 p i sp3 7p -sp3 9f 2 28.19 -0.73 p i sp3 8p -sp3 9p 6 0.00 103.57 0.00 186.29 79.90 73.14 p i sp3 8p -sp3 4f 2 29.67 0.28 p i sp3 8p -sp3 5f 2 28.95 -0.24 p i sp3 8p -sp3 6f 2 25.13 -0.43 p i sp3 8p -sp3 7f 2 19.49 -0.49 p i sp3 8p -sp3 8f 2 19.26 -0.49 p i sp3 8p -sp3 9f 2 18.19 -0.47 p i sp3 9p -sp3 4f 2 23.41 0.33 p i sp3 9p -sp3 5f 2 22.98 -0.09 p i sp3 9p -sp3 6f 2 20.22 -0.26 p i sp3 9p -sp3 7f 2 17.27 -0.32 p i sp3 9p -sp3 8f 2 13.86 -0.33 p i sp3 9p -sp3 9f 2 13.02 -0.32 p i sp3 4f -sp3 5f 6 0.00 2.81 0.00 260.03 11.04 7.10 p i sp3 4f -sp3 6f 6 0.00 2.45 0.00 184.10 9.50 6.11 p i sp3 4f -sp3 7f 6 0.00 2.10 0.00 140.79 8.10 5.21 p i sp3 4f -sp3 8f 6 0.00 1.81 0.00 112.75 6.94 4.47 p i sp3 4f -sp3 9f 6 0.00 1.58 0.00 93.19 6.01 3.87 p i sp3 5f -sp3 6f 6 0.00 2.35 0.00 162.65 8.90 5.73 p i sp3 5f -sp3 7f 6 0.00 2.02 0.00 124.88 7.58 4.88 p i sp3 5f -sp3 8f 6 0.00 1.74 0.00 100.30 6.50 4.19 p i sp3 5f -sp3 9f 6 0.00 1.51 0.00 83.06 5.63 3.63 p i sp3 6f -sp3 7f 6 0.00 1.76 0.00 103.55 6.53 4.21 p i sp3 6f -sp3 8f 6 0.00 1.52 0.00 83.30 5.60 3.61 p i sp3 6f -sp3 9f 6 0.00 1.32 0.00 69.08 4.85 3.13 p i sp3 7f -sp3 8f 6 0.00 1.31 0.00 69.17 4.78 3.08 p i sp3 7f -sp3 9f 6 0.00 1.13 0.00 57.40 4.14 2.67 p i sp3 8f -sp3 9f 6 0.00 0.98 0.00 48.29 3.55 2.29