 Etot  =    -4520.489922
 Ekin  =     4662.681151
 Ecoul =     1833.072821
 Eenuc =   -10893.156486
 Exc   =     -123.087408
 1s       -802.069549
 2s       -115.704319
 2p       -103.837698
 3s        -20.585739
 3p        -16.668523
 3d        -10.319530
 4s         -3.074817
 4p         -1.982572
 4d         -0.470806
