 Etot  =    -4276.146300
 Ekin  =     4404.321224
 Ecoul =     1743.727394
 Eenuc =   -10305.569977
 Exc   =     -118.624940
 1s       -762.762646
 2s       -108.967653
 2p        -97.698491
 3s        -18.965892
 3p        -15.250187
 3d         -9.193732
 4s         -2.689941
 4p         -1.666630
 4d         -0.251274
 5s         -0.192768
