 Etot  =    -2783.456830
 Ekin  =     2840.643892
 Ecoul =     1165.651043
 Eenuc =    -6700.045411
 Exc   =      -89.706354
 1s       -518.097890
 2s        -68.685113
 2p        -60.898353
 3s        -10.081309
 3p         -7.591680
 3d         -3.442016
 4s         -1.253283
 4p         -0.723901
