2P-2S atomic case Wed Dec 10 16:13:22 2014 12 11 5 0 0.0000E+00 3.0000E+08 1.0000E+00 1.0000000000 's' -42 2 0 0 0 2 1 1 -1 -1 0 / ^2S -42 1 1 1 0 2 0 1 1 -1 0 / ^2P 120000000 2.308598600500001E+02 5.00000006E-08 /a_S -0 2.885748250625003E+02 6.25000007E-08 /ZPE 1.25a_ 100 1.000000000000000E+10 1.00000000E-10 /offset rot 11 3.904397548295342E+08 4.13049687E-02 / E_P 10000011 1.153407545520261E+06 4.52375770E-02 /3/2 FS 20000011 1.108427291319715E+01 3.40744223E-02 /2/5 a1/2 120040011 -9.746612549039158E+00 3.90054573E-02 /-8/5 a3/2 220040011 6.950087940839389E+00 1.98076158E-01 /5/2 b 1011 -1.000000000000000E+10 1.00000000E-37 -11 1.000000000000000E+10 1.00000000E-37 111 1.000000000000000E+08 1.00000000E-37 -11 -2.000000000000000E+08 2.00000000E-37 1.0000000 0.0000000 1.0000000 0.0000019 0.0000000 0.6331491 0.0000000-0.0000000 0.5288570 0.8508327-0.0000003-0.0000000-0.3428368-0.1684909-0.5756792 0.0000004 0.0000000 0.4223098 0.4775595 0.6929178 0.9253020 0.0000000-0.0000000-0.1534595 -0.1401125-0.4341180-0.3792310-1.0000000 0.0000000-0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000-1.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000-0.0000000-1.0000000