 Etot  =    -1148.135800
 Ekin  =     1146.695598
 Ecoul =      477.713500
 Eenuc =    -2723.342914
 Exc   =      -49.201984
 1s       -234.002838
 2s        -27.166210
 2p        -23.366435
 3s         -3.380218
 3p         -2.295244
 3d         -0.566550
 4s         -0.441537
