 Etot  =    -4201.892172
 Ekin  =     4199.053108
 Ecoul =     1713.242277
 Eenuc =    -9992.743169
 Exc   =     -121.444387
 1s       -746.019034
 2s       -104.841831
 2p        -96.884731
 3s        -18.410248
 3p        -15.316668
 3d         -9.614581
 4s         -2.826509
 4p         -1.919165
 4d         -0.541240
 5s         -0.414364
