 Etot  =    -5034.762697
 Ekin  =     5208.615789
 Ecoul =     2054.981238
 Eenuc =   -12165.717343
 Exc   =     -132.642382
 1s       -883.175511
 2s       -129.116947
 2p       -115.962602
 3s        -23.266796
 3p        -18.923424
 3d        -11.974563
 4s         -3.128465
 4p         -1.883435
 4d         -0.158507
