 Etot  =    -2093.777063
 Ekin  =     2133.513969
 Ecoul =      891.398175
 Eenuc =    -5044.333997
 Exc   =      -74.355209
 1sP      -401.016606
 2sP       -50.521268
 2pM       -45.064832
 2pP       -43.901617
 3sP        -6.480943
 3pM        -4.673656
 3pP        -4.516697
 3dM        -1.433445
 3dP        -1.411873
 4sP        -0.739201
 4pM        -0.427705
 4pP        -0.418425
