 Etot  =    -3810.918785
 Ekin  =     3914.203598
 Ecoul =     1557.189555
 Eenuc =    -9172.354833
 Exc   =     -109.957105
 1s       -687.762273
 2s        -96.525464
 2p        -86.370618
 3s        -16.285357
 3p        -12.951278
 3d         -7.461450
 4s         -2.381491
 4p         -1.510150
 4d         -0.351125
