 Etot  =   -11253.521213
 Ekin  =    12232.345224
 Ecoul =     4373.774424
 Eenuc =   -27636.822576
 Exc   =     -222.818285
 1sP     -1827.512561
 2sP      -302.005470
 2pM      -287.077409
 2pP      -261.791408
 3sP       -66.969454
 3pM       -60.443038
 3pP       -55.253146
 3dM       -43.898364
 3dP       -42.761540
 4sP       -13.467046
 4pM       -10.919046
 4pP        -9.756722
 4dM        -5.537591
 4dP        -5.326485
 4fM        -0.348286
 4fP        -0.320365
 5sP        -1.822590
 5pM        -1.116922
 5pP        -0.956286
 5dM        -0.105650
 5dP        -0.095681
 6sP        -0.156391
