 Etot  =    -1921.846456
 Ekin  =     1919.894783
 Ecoul =      833.754978
 Eenuc =    -4603.576824
 Exc   =      -71.919393
 1s       -370.170639
 2s        -45.200869
 2p        -40.093339
 3s         -5.241645
 3p         -3.584666
 3d         -0.736204
 4s         -0.328019
 4p         -0.101634
