 Etot  =   -15587.050789
 Ekin  =    17436.132224
 Ecoul =     6115.300224
 Eenuc =   -38860.520067
 Exc   =     -277.963169
 1sP     -2455.439663
 2sP      -422.123743
 2pM      -403.764155
 2pP      -357.667990
 3sP       -96.728144
 3pM       -88.507489
 3pP       -78.574886
 3dM       -64.612938
 3dP       -62.437250
 4sP       -19.688385
 4pM       -16.290270
 4pP       -13.993863
 4dM        -8.385807
 4dP        -7.961845
 4fM        -0.962854
 4fP        -0.889871
 5sP        -2.670878
 5pM        -1.681344
 5pP        -1.359740
 5dM        -0.153393
 5dP        -0.131684
 6sP        -0.205411
