 Etot  =    -5462.390982
 Ekin  =     5459.099922
 Ecoul =     2233.419308
 Eenuc =   -13008.902423
 Exc   =     -146.007788
 1s       -941.476646
 2s       -136.832490
 2p       -127.635120
 3s        -25.379908
 3p        -21.637522
 3d        -14.685252
 4s         -3.596069
 4p         -2.395260
 4d         -0.470530
 5s         -0.204228
