Z	E_TFD (a.u.)	E_DFT (a.u.)	E_exp (a.u.)
2	−2.96	−2.89	−2.90
10	−7.60	−7.23	−7.48
18	−14.95	−14.56	−14.67
36	−25.32	−24.08	−24.65
54	−38.99	−37.08	−37.85
86	−56.23	−53.59	−54.60