 Etot  =    -1042.218348
 Ekin  =     1040.859934
 Ecoul =      442.886110
 Eenuc =    -2479.487016
 Exc   =      -46.477376
 1sD      -213.832160
 1su      -213.831065
 2sD       -24.093755
 2su       -24.028398
 2pD       -20.499415
 2pu       -20.449201
 3sD        -2.678532
 3su        -2.522901
 3pD        -1.683565
 3pu        -1.530054
 3dD        -0.146363
 3du        -0.011316
 4sD        -0.166559
 4su        -0.094148
