 Etot  =    -1268.874216
 Ekin  =     1281.505833
 Ecoul =      529.647999
 Eenuc =    -3028.008577
 Exc   =      -52.019471
 1s       -256.273150
 2s        -30.311051
 2p        -25.935809
 3s         -3.745774
 3p         -2.516937
 3d         -0.598816
 4s         -0.463472
