 Etot  =    -3590.292671
 Ekin  =     3682.670265
 Ecoul =     1468.701455
 Eenuc =    -8636.036682
 Exc   =     -105.627709
 1s       -651.851439
 2s        -90.646520
 2p        -81.009258
 3s        -15.044895
 3p        -11.891717
 3d         -6.679171
 4s         -2.247241
 4p         -1.441776
 4d         -0.374943
 5s         -0.374868
