 Etot  =    -4438.981228
 Ekin  =     4436.031047
 Ecoul =     1824.800920
 Eenuc =   -10573.323640
 Exc   =     -126.489556
 1s       -782.918621
 2s       -110.536054
 2p       -102.333649
 3s        -19.366692
 3p        -16.145217
 3d        -10.195668
 4s         -2.628363
 4p         -1.667549
 4d         -0.210375
 5s         -0.152834
