 Etot  =    -1389.451666
 Ekin  =     1407.437150
 Ecoul =      588.779130
 Eenuc =    -3329.825475
 Exc   =      -55.842471
 1sP      -277.739480
 2sP       -32.983798
 2pM       -28.693644
 2pP       -28.152118
 3sP        -3.855739
 3pM        -2.576562
 3pP        -2.509418
 3dM        -0.466055
 3dP        -0.459523
