 Etot  =     -600.049489
 Ekin  =      603.099500
 Ecoul =      253.985580
 Eenuc =    -1425.822605
 Exc   =      -31.311963
 1sP      -129.006055
 2sP       -13.154174
 2pM       -10.581613
 2pP       -10.475897
 3sP        -1.518463
 3pM        -0.924457
 3pP        -0.914422
