 Etot  =    -5462.057784
 Ekin  =     5458.786757
 Ecoul =     2218.407164
 Eenuc =   -12993.458446
 Exc   =     -145.793259
 1s       -941.794919
 2s       -137.147869
 2p       -127.950692
 3s        -25.696202
 3p        -21.953796
 3d        -15.001258
 4s         -3.914158
 4p         -2.713576
 4d         -0.786279
 5s         -0.467975
