 Etot  =    -2424.422236
 Ekin  =     2468.433596
 Ecoul =     1035.314833
 Eenuc =    -5846.021845
 Exc   =      -82.148820
 1s       -457.231761
 2s        -58.826153
 2p        -51.846334
 3s         -7.796366
 3p         -5.605246
 3d         -1.964091
 4s         -0.641257
 4p         -0.244645
