 Etot  =    -1776.217890
 Ekin  =     1774.361242
 Ecoul =      763.742286
 Eenuc =    -4246.370208
 Exc   =      -67.951210
 1sD      -345.324225
 1su      -345.322296
 2sD       -41.877846
 2su       -41.877849
 2pD       -36.996087
 2pu       -36.995746
 3sD        -4.926226
 3su        -4.925164
 3pD        -3.376153
 3pu        -3.374419
 3dD        -0.752900
 3du        -0.745840
 4sD        -0.532602
 4su        -0.492331
