 Etot  =   -19518.738347
 Ekin  =    19512.426823
 Ecoul =     7759.233689
 Eenuc =   -46436.583491
 Exc   =     -353.815368
 1s      -2901.359475
 2s       -489.123890
 2p       -471.158460
 3s       -116.807238
 3p       -108.230799
 3d        -92.170309
 4s        -26.033586
 4p        -22.270819
 4d        -15.310263
 4f         -5.872744
 5s         -4.486572
 5p         -3.221355
 5d         -1.180875
 6s         -0.611068
 6p         -0.374139
