 Etot  =   -15779.936901
 Ekin  =    15774.262988
 Ecoul =     6317.367436
 Eenuc =   -37566.163035
 Exc   =     -305.404290
 1s      -2407.937841
 2s       -397.358629
 2p       -381.253867
 3s        -91.420361
 3p        -83.905745
 3d        -69.847814
 4s        -18.725559
 4p        -15.566716
 4d         -9.787986
 4f         -2.196219
 5s         -2.838745
 5p         -1.902751
 5d         -0.524397
 6s         -0.415789
