 Etot  =    -5583.648689
 Ekin  =     5839.236393
 Ecoul =     2265.151850
 Eenuc =   -13545.979295
 Exc   =     -142.057637
 1sP      -968.685259
 2sP      -143.971950
 2pM      -134.228401
 2pP      -127.218969
 3sP       -26.826880
 3pM       -22.890728
 3pP       -21.637989
 3dM       -14.613763
 3dP       -14.357938
 4sP        -3.874574
 4pM        -2.605274
 4pP        -2.389721
 4dM        -0.454121
 4dP        -0.428348
 5sP        -0.218221
