 Etot  =   -16650.229516
 Ekin  =    18336.941160
 Ecoul =     6482.001108
 Eenuc =   -41180.206025
 Exc   =     -288.965758
 1s      -2615.979155
 2s       -454.322049
 2p       -397.157800
 3s       -105.446970
 3p        -88.552329
 3d        -69.320107
 4s        -22.202594
 4p        -16.647328
 4d         -9.655848
 4f         -1.863596
 5s         -3.415501
 5p         -2.019037
 5d         -0.486217
 6s         -0.475956
