 Etot  =   -11690.889131
 Ekin  =    12744.414842
 Ecoul =     4550.248664
 Eenuc =   -28756.627919
 Exc   =     -228.924718
 1sP     -1891.690206
 2sP      -314.036425
 2pM      -298.755766
 2pP      -271.629791
 3sP       -69.848678
 3pM       -63.146204
 3pP       -57.542867
 3dM       -45.910987
 3dP       -44.681796
 4sP       -13.996833
 4pM       -11.363605
 4pP       -10.109052
 4dM        -5.751715
 4dP        -5.524125
 4fM        -0.375890
 4fP        -0.346863
 5sP        -1.977859
 5pM        -1.266500
 5pP        -1.104900
 6sP        -0.330047
