================================================================= i NZ NE iSLP iLV iCONF E(RYD) gi RL(NS) ================================================================= 1 5 4 100 1 2s2 -1.84287E+00 1.0 1.00E+30 2 5 4 311 1 2s 2p -1.50182E+00 9.0 1.00E+30 3 5 4 111 1 2s 2p -1.16257E+00 3.0 7.84E-01 4 5 4 310 1 2p2 -9.31047E-01 9.0 1.08E+00 5 5 4 120 1 2p2 -9.02171E-01 5.0 1.97E+01 6 5 4 300 1 2s 3s -6.65048E-01 3.0 9.20E-01 7 5 4 100 2 2p2 -6.62891E-01 1.0 7.39E-01 8 5 4 100 3 2s 3s -5.76906E-01 1.0 9.14E+00 9 5 4 311 2 2s 3p -5.34836E-01 9.0 2.47E+01 10 5 4 111 2 2s 3p -5.32610E-01 3.0 1.82E+00 11 5 4 320 1 2s 3d -4.75550E-01 15.0 4.10E-01 12 5 4 120 2 2s 3d -4.36681E-01 5.0 7.32E-01 13 5 4 300 2 2s 4s -3.32464E-01 3.0 1.86E+00 14 5 4 100 4 2s 4s -3.17786E-01 1.0 5.28E+00 15 5 4 111 3 2s 4p -2.93254E-01 3.0 1.84E+00 16 5 4 311 3 2s 4p -2.84766E-01 9.0 2.33E+01 17 5 4 320 2 2s 4d -2.62280E-01 15.0 9.58E-01 18 5 4 331 1 2s 4f -2.54935E-01 21.0 4.26E+00 19 5 4 131 1 2s 4f -2.54756E-01 7.0 3.56E+00 20 5 4 120 3 2s 4d -2.48024E-01 5.0 1.48E+00 21 5 4 300 3 2s 5s -2.00037E-01 3.0 3.27E+00 22 5 4 100 5 2s 5s -1.94052E-01 1.0 8.00E+00 23 5 4 111 4 2s 5p -1.90927E-01 3.0 1.75E+00 24 5 4 311 4 2p 3s -1.88280E-01 9.0 1.07E+00 25 5 4 311 5 2s 5p -1.77115E-01 9.0 2.55E+01 26 5 4 320 3 2s 5d -1.66141E-01 15.0 1.82E+00 27 5 4 331 2 2s 5f -1.63704E-01 21.0 9.18E+00 28 5 4 131 2 2s 5f -1.63255E-01 7.0 5.71E+00 29 5 4 120 4 2s 5d -1.59506E-01 5.0 2.56E+00 30 5 4 111 5 2p 3s -1.44876E-01 3.0 2.06E+00 31 5 4 300 4 2s 6s -1.33846E-01 3.0 4.92E+00 32 5 4 100 6 2s 6s -1.30600E-01 1.0 1.31E+01 33 5 4 311 6 2s 6p -1.20898E-01 9.0 3.58E+01 34 5 4 110 1 2p 3p -1.19884E-01 3.0 1.34E+00 35 5 4 320 4 2s 6d -1.14805E-01 15.0 2.74E+00 36 5 4 331 3 2s 6f -1.14286E-01 21.0 1.91E+01 37 5 4 131 3 2s 6f -1.13511E-01 7.0 7.94E+00 38 5 4 111 6 2s 6p -1.12301E-01 3.0 6.87E+00 39 5 4 120 5 2s 6d -1.11180E-01 5.0 3.85E+00 40 5 4 320 5 2p 3p -1.02425E-01 15.0 4.37E+00 41 5 4 300 5 2s 7s -9.63176E-02 3.0 5.57E+00 42 5 4 100 7 2s 7s -9.38350E-02 1.0 2.02E+01 43 5 4 311 7 2s 7p -8.77672E-02 9.0 4.58E+01 44 5 4 111 7 2s 7p -8.46344E-02 3.0 1.54E+01 45 5 4 331 4 2s 7f -8.46326E-02 21.0 3.96E+01 46 5 4 320 6 2s 7d -8.37063E-02 15.0 5.95E+00 47 5 4 131 4 2s 7f -8.34652E-02 7.0 1.01E+01 48 5 4 120 6 2s 7d -8.20305E-02 5.0 4.99E+00 49 5 4 300 6 2p 3p -7.64284E-02 3.0 3.02E+00 50 5 4 100 8 2s 8s -7.06550E-02 1.0 2.93E+01 51 5 4 300 7 2s 8s -6.85618E-02 3.0 1.66E+01 52 5 4 311 8 2s 8p -6.66108E-02 9.0 5.63E+01 53 5 4 331 5 2s 8f -6.56160E-02 21.0 6.38E+01 54 5 4 111 8 2s 8p -6.50734E-02 3.0 2.29E+01 55 5 4 131 5 2s 8f -6.39390E-02 7.0 1.23E+01 56 5 4 320 7 2s 8d -6.39150E-02 15.0 8.25E+00 57 5 4 120 7 2s 8d -6.32918E-02 5.0 5.07E+00 58 5 4 310 2 2p 3p -5.82872E-02 9.0 2.28E+00 59 5 4 100 9 2s 9s -5.51087E-02 1.0 4.08E+01 60 5 4 300 8 2s 9s -5.49826E-02 3.0 4.85E+01 61 5 4 331 6 2s 9f -5.28630E-02 21.0 4.36E+01 62 5 4 311 9 2s 9p -5.22798E-02 9.0 6.73E+01 63 5 4 111 9 2s 9p -5.13861E-02 3.0 3.10E+01 64 5 4 120 8 2s 9d -5.13083E-02 5.0 3.24E+00 65 5 4 131 6 2s 9f -5.05381E-02 7.0 1.44E+01 66 5 4 320 8 2s 9d -5.03790E-02 15.0 1.16E+01 67 5 4 120 9 2p 3p -4.50198E-02 5.0 3.60E+00 68 5 4 300 9 2s10s -4.42003E-02 3.0 5.00E+01 69 5 4 100 10 2s10s -4.41786E-02 1.0 5.50E+01 70 5 4 331 7 2s10f -4.38748E-02 21.0 2.41E+01 71 5 4 121 1 2p 3d -4.23468E-02 5.0 6.88E-01 72 5 4 311 10 2s10p -4.21238E-02 9.0 7.78E+01 73 5 4 111 10 2s10p -4.15450E-02 3.0 4.05E+01 74 5 4 131 7 2s10f -4.09439E-02 7.0 1.66E+01 75 5 4 320 9 2s10d -4.07264E-02 15.0 1.58E+01 76 5 4 321 1 2p 3d -1.67688E-02 15.0 3.58E-01 77 5 4 110 2 2p 4p 1.50727E-01 3.0 2.20E+00 78 5 4 310 3 2p 4p 1.71291E-01 9.0 3.03E+00 79 5 4 121 2 2p 4d 1.78006E-01 5.0 1.33E+00 80 5 4 321 2 2p 4d 1.88184E-01 15.0 7.49E-01 81 5 4 110 3 2p 5p 2.63669E-01 3.0 3.06E+00 82 5 4 310 4 2p 5p 2.73083E-01 9.0 3.57E+00 83 5 4 121 3 2p 5d 2.76591E-01 5.0 2.08E+00 84 5 4 321 3 2p 5d 2.81569E-01 15.0 1.27E+00 85 5 4 110 4 2p 6p 3.21819E-01 3.0 3.68E+00 86 5 4 310 5 2p 6p 3.26948E-01 9.0 3.97E+00 87 5 4 121 4 2p 6d 3.28986E-01 5.0 2.75E+00 88 5 4 321 4 2p 6d 3.31798E-01 15.0 1.85E+00 89 5 4 110 5 2p 7p 3.55812E-01 3.0 4.10E+00 90 5 4 310 6 2p 7p 3.58918E-01 9.0 4.29E+00 91 5 4 121 5 2p 7d 3.60205E-01 5.0 3.30E+00 92 5 4 321 5 2p 7d 3.61947E-01 15.0 2.42E+00 93 5 4 110 6 2p 8p 3.77414E-01 3.0 4.38E+00 94 5 4 310 7 2p 8p 3.79440E-01 9.0 4.49E+00 95 5 4 121 6 2p 8d 3.80302E-01 5.0 3.74E+00 96 5 4 321 6 2p 8d 3.81456E-01 15.0 2.91E+00 97 5 4 110 7 2p 9p 3.91997E-01 3.0 4.58E+00 98 5 4 310 8 2p 9p 3.93392E-01 9.0 4.66E+00 99 5 4 121 7 2p 9d 3.93998E-01 5.0 4.12E+00 100 5 4 321 7 2p 9d 3.94801E-01 15.0 3.34E+00 101 5 4 110 8 2p10p 4.02304E-01 3.0 4.74E+00 102 5 4 310 9 2p10p 4.03306E-01 9.0 4.79E+00 103 5 4 121 8 2p10d 4.03749E-01 5.0 9.52E+00 104 5 4 321 8 2p10d 4.04330E-01 15.0 3.68E+00 =================================================================