 Etot  =   -12586.327154
 Ekin  =    13568.068898
 Ecoul =     4922.259676
 Eenuc =   -30836.297893
 Exc   =     -240.357836
 1s      -2026.353643
 2s       -339.365803
 2p       -301.127794
 3s        -75.812989
 3p        -64.093076
 3d        -49.144633
 4s        -14.946467
 4p        -11.078862
 4d         -5.837062
 4f         -0.128354
 5s         -1.848358
 5p         -0.953285
 6s         -0.144389
