 Etot  =     -946.412584
 Ekin  =      954.735363
 Ecoul =      396.792977
 Eenuc =    -2255.484723
 Exc   =      -42.456201
 1sP      -196.153745
 2sP       -22.047319
 2pM       -18.630785
 2pP       -18.371462
 3sP        -2.561732
 3pM        -1.634933
 3pP        -1.604137
 3dM        -0.200001
 3dP        -0.197563
 4sP        -0.177823
