 Etot  =   -27129.133740
 Ekin  =    31664.835482
 Ecoul =    10105.460314
 Eenuc =   -68511.625832
 Exc   =     -387.803704
 1s      -4123.563952
 2s       -768.612214
 2p       -641.819283
 3s       -193.648735
 3p       -158.313525
 3d       -127.146553
 4s        -49.152282
 4p        -37.588515
 4d        -25.769908
 4f        -13.120285
 5s        -11.048749
 5p         -7.483499
 5d         -3.693090
 5f         -0.362141
 6s         -1.948490
 6p         -1.091187
 7s         -0.365228
