##### Number of atoms and sorts ##### 1 1 ##### Atom to sort index and max L ##### 1 1 3 3 0 ##### Orbital presence array ##### ##### Atom #, l and is there ##### 1 0 T 1 1 T 1 2 T 1 3 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 #### Nuclear charge #### 58.0000000000000 10.0000000000000 2.00000000000000 46.0000000000000