##### Number of atoms and sorts ##### 16 6 ##### Atom to sort index and max L ##### 1 1 3 3 0 2 2 3 3 0 3 3 2 2 0 4 3 2 2 0 5 4 2 2 0 6 4 2 2 0 7 5 2 2 0 8 5 2 2 0 9 5 2 2 0 10 5 2 2 0 11 5 2 2 0 12 5 2 2 0 13 5 2 2 0 14 5 2 2 0 15 6 1 1 0 16 6 1 1 0 ##### Orbital presence array ##### ##### Atom #, l and is there ##### 1 0 T 1 1 T 1 2 T 1 3 T 2 0 T 2 1 T 2 2 T 2 3 T 3 0 T 3 1 T 3 2 T 4 0 T 4 1 T 4 2 T 5 0 T 5 1 T 5 2 T 6 0 T 6 1 T 6 2 T 7 0 T 7 1 T 7 2 T 8 0 T 8 1 T 8 2 T 9 0 T 9 1 T 9 2 T 10 0 T 10 1 T 10 2 T 11 0 T 11 1 T 11 2 T 12 0 T 12 1 T 12 2 T 13 0 T 13 1 T 13 2 T 14 0 T 14 1 T 14 2 T 15 0 T 15 1 F 16 0 T 16 1 F ##### Hamiltonian index array ##### ##### Atom, l, m and index ##### 1 0 0 1 1 1 -1 2 1 1 0 3 1 1 1 4 1 2 -2 5 1 2 -1 6 1 2 0 7 1 2 1 8 1 2 2 9 1 3 -3 10 1 3 -2 11 1 3 -1 12 1 3 0 13 1 3 1 14 1 3 2 15 1 3 3 16 2 0 0 17 2 1 -1 18 2 1 0 19 2 1 1 20 2 2 -2 21 2 2 -1 22 2 2 0 23 2 2 1 24 2 2 2 25 2 3 -3 26 2 3 -2 27 2 3 -1 28 2 3 0 29 2 3 1 30 2 3 2 31 2 3 3 32 3 0 0 33 3 1 -1 34 3 1 0 35 3 1 1 36 3 2 -2 37 3 2 -1 38 3 2 0 39 3 2 1 40 3 2 2 41 4 0 0 42 4 1 -1 43 4 1 0 44 4 1 1 45 4 2 -2 46 4 2 -1 47 4 2 0 48 4 2 1 49 4 2 2 50 5 0 0 51 5 1 -1 52 5 1 0 53 5 1 1 54 5 2 -2 55 5 2 -1 56 5 2 0 57 5 2 1 58 5 2 2 59 6 0 0 60 6 1 -1 61 6 1 0 62 6 1 1 63 6 2 -2 64 6 2 -1 65 6 2 0 66 6 2 1 67 6 2 2 68 7 0 0 69 7 1 -1 70 7 1 0 71 7 1 1 72 7 2 -2 73 7 2 -1 74 7 2 0 75 7 2 1 76 7 2 2 77 8 0 0 78 8 1 -1 79 8 1 0 80 8 1 1 81 8 2 -2 82 8 2 -1 83 8 2 0 84 8 2 1 85 8 2 2 86 9 0 0 87 9 1 -1 88 9 1 0 89 9 1 1 90 9 2 -2 91 9 2 -1 92 9 2 0 93 9 2 1 94 9 2 2 95 10 0 0 96 10 1 -1 97 10 1 0 98 10 1 1 99 10 2 -2 100 10 2 -1 101 10 2 0 102 10 2 1 103 10 2 2 104 11 0 0 105 11 1 -1 106 11 1 0 107 11 1 1 108 11 2 -2 109 11 2 -1 110 11 2 0 111 11 2 1 112 11 2 2 113 12 0 0 114 12 1 -1 115 12 1 0 116 12 1 1 117 12 2 -2 118 12 2 -1 119 12 2 0 120 12 2 1 121 12 2 2 122 13 0 0 123 13 1 -1 124 13 1 0 125 13 1 1 126 13 2 -2 127 13 2 -1 128 13 2 0 129 13 2 1 130 13 2 2 131 14 0 0 132 14 1 -1 133 14 1 0 134 14 1 1 135 14 2 -2 136 14 2 -1 137 14 2 0 138 14 2 1 139 14 2 2 140 15 0 0 141 15 1 -1 0 15 1 0 0 15 1 1 0 16 0 0 142 16 1 -1 0 16 1 0 0 16 1 1 0 #### Nuclear charge #### 58.0000000000000 58.0000000000000 45.0000000000000 49.0000000000000 49.0000000000000 1.000000000000000E-012 4.00000000000000 4.00000000000000 9.00000000000000 13.0000000000000 13.0000000000000 0.000000000000000E+000 0.000000000000000E+000 0.000000000000000E+000 6.00000000000000 0.000000000000000E+000 0.000000000000000E+000 0.000000000000000E+000 54.0000000000000 54.0000000000000 30.0000000000000 36.0000000000000 36.0000000000000 1.000000000000000E-012