 Etot  =   -15041.054437
 Ekin  =    16424.699155
 Ecoul =     5874.422434
 Eenuc =   -37069.490020
 Exc   =     -270.686007
 1s      -2383.514209
 2s       -408.400278
 2p       -359.226633
 3s        -93.348743
 3p        -78.620871
 3d        -61.107747
 4s        -19.050106
 4p        -14.205790
 4d         -7.924968
 4f         -0.979306
 5s         -2.802380
 5p         -1.648744
 5d         -0.403477
 6s         -0.443107
