 Etot  =    -3377.673981
 Ekin  =     3460.017556
 Ecoul =     1397.559798
 Eenuc =    -8133.552916
 Exc   =     -101.698418
 1s       -616.616721
 2s        -84.603040
 2p        -75.460167
 3s        -13.485139
 3p        -10.506650
 3d         -5.566395
 4s         -1.760330
 4p         -1.026671
 4d         -0.097770
 5s         -0.155102
