 Etot  =    -4683.033809
 Ekin  =     4680.014168
 Ecoul =     1910.952577
 Eenuc =   -11142.878500
 Exc   =     -131.122054
 1s       -821.414276
 2s       -117.080858
 2p       -108.631824
 3s        -21.040887
 3p        -17.690554
 3d        -11.492151
 4s         -3.104259
 4p         -2.086003
 4d         -0.516210
