##### Number of atoms and sorts ##### 12 5 ##### Atom to sort index and max L ##### 1 1 3 3 0 2 1 3 3 0 3 2 1 2 0 4 2 1 2 0 5 3 1 2 0 6 4 0 2 0 7 5 0 2 0 8 5 0 2 0 9 5 0 2 0 10 5 0 2 0 11 5 0 2 0 12 5 0 2 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 4 0 T 4 1 T 5 0 T 5 1 T 6 0 T 7 0 T 8 0 T 9 0 T 10 0 T 11 0 T 12 0 T ##### 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 4 0 0 37 4 1 -1 38 4 1 0 39 4 1 1 40 5 0 0 41 5 1 -1 42 5 1 0 43 5 1 1 44 6 0 0 45 7 0 0 46 8 0 0 47 9 0 0 48 10 0 0 49 11 0 0 50 12 0 0 51 #### Nuclear charge #### 58.0000000000000 8.00000000000000 8.00000000000000 1.000000000000000E-012 1.000000000000000E-012 10.0000000000000 6.00000000000000 6.00000000000000 0.000000000000000E+000 0.000000000000000E+000 2.00000000000000 0.000000000000000E+000 0.000000000000000E+000 0.000000000000000E+000 0.000000000000000E+000 46.0000000000000 2.00000000000000 2.00000000000000 1.000000000000000E-012 1.000000000000000E-012