 Etot  =   -13067.927245
 Ekin  =    14375.857670
 Ecoul =     5111.276003
 Eenuc =   -32307.934808
 Exc   =     -247.126110
 1sP     -2092.308599
 2sP      -351.963601
 2pM      -335.579345
 2pP      -302.280695
 3sP       -79.066608
 3pM       -71.816606
 3pP       -64.817688
 3dM       -52.331688
 3dP       -50.793618
 4sP       -15.762256
 4pM       -12.856914
 4pP       -11.274163
 4dM        -6.469703
 4dP        -6.180772
 4fM        -0.395194
 4fP        -0.355198
 5sP        -2.146147
 5pM        -1.359313
 5pP        -1.162119
 6sP        -0.342011
