 Etot  =    -2936.183045
 Ekin  =     2933.797002
 Ecoul =     1231.458189
 Eenuc =    -7005.789105
 Exc   =      -95.649131
 1s       -541.169308
 2s        -71.503311
 2p        -64.996761
 3s        -10.725842
 3p         -8.377382
 3d         -4.127456
 4s         -1.345625
 4p         -0.800826
