##### Number of atoms and sorts ##### 5 3 ##### Atom to sort index and max L ##### 1 1 3 3 0 2 2 2 2 0 3 2 2 2 0 4 3 2 2 0 5 3 2 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 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 ##### 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 3 0 0 26 3 1 -1 27 3 1 0 28 3 1 1 29 3 2 -2 30 3 2 -1 31 3 2 0 32 3 2 1 33 3 2 2 34 4 0 0 35 4 1 -1 36 4 1 0 37 4 1 1 38 4 2 -2 39 4 2 -1 40 4 2 0 41 4 2 1 42 4 2 2 43 5 0 0 44 5 1 -1 45 5 1 0 46 5 1 1 47 5 2 -2 48 5 2 -1 49 5 2 0 50 5 2 1 51 5 2 2 52 #### Nuclear charge #### 70.0000000000000 45.0000000000000 14.0000000000000 16.0000000000000 9.00000000000000 4.00000000000000 8.00000000000000 6.00000000000000 0.000000000000000E+000 46.0000000000000 30.0000000000000 10.0000000000000