 Etot  =   -16286.295408
 Ekin  =    16280.510034
 Ecoul =     6537.173416
 Eenuc =   -38791.574393
 Exc   =     -312.404466
 1s      -2475.238617
 2s       -409.522396
 2p       -393.154080
 3s        -94.501324
 3p        -86.837047
 3d        -72.497183
 4s        -19.362527
 4p        -16.119671
 4d        -10.176082
 4f         -2.321175
 5s         -2.738293
 5p         -1.757404
 5d         -0.296791
 6s         -0.191489
