 Etot  =    -4276.816006
 Ekin  =     4431.276336
 Ecoul =     1745.476452
 Eenuc =   -10334.761955
 Exc   =     -118.806839
 1sP      -762.361160
 2sP      -108.889374
 2pM      -100.569207
 2pP       -96.259687
 3sP       -18.953545
 3pM       -15.733946
 3pP       -15.012213
 3dM        -9.270275
 3dP        -9.130882
 4sP        -2.688542
 4pM        -1.740912
 4pP        -1.631370
 4dM        -0.257659
 4dP        -0.247073
 5sP        -0.192748
