 Etot  =    -5194.755725
 Ekin  =     5191.560699
 Ecoul =     2117.940487
 Eenuc =   -12363.255355
 Exc   =     -141.001556
 1s       -900.619298
 2s       -130.150963
 2p       -121.204744
 3s        -23.971060
 3p        -20.360220
 3d        -13.660016
 4s         -3.519438
 4p         -2.383685
 4d         -0.593717
