 Etot  =   -22470.183728
 Ekin  =    22463.447757
 Ecoul =     8821.753536
 Eenuc =   -53366.711580
 Exc   =     -388.673442
 1s      -3283.443556
 2s       -561.910592
 2p       -542.594368
 3s       -138.139785
 3p       -128.787287
 3d       -111.265376
 4s        -33.041123
 4p        -28.828239
 4d        -20.992568
 4f        -10.230755
 5s         -6.689396
 5p         -5.153124
 5d         -2.540721
 6s         -1.020428
 6p         -0.642931
