 Etot  =    -5034.417428
 Ekin  =     5208.302213
 Ecoul =     2036.108621
 Eenuc =   -12146.539938
 Exc   =     -132.288323
 1s       -883.593044
 2s       -129.536680
 2p       -116.382099
 3s        -23.686881
 3p        -19.343504
 3d        -12.394740
 4s         -3.545912
 4p         -2.297900
 4d         -0.547511
