 Etot  =   -28000.926344
 Ekin  =    34199.322938
 Ecoul =    10430.317571
 Eenuc =   -72234.786579
 Exc   =     -395.780275
 1sP     -4223.691330
 2sP      -789.763593
 2pM      -761.648217
 2pP      -623.121938
 3sP      -199.702290
 3pM      -186.936274
 3pP      -154.973479
 3dM      -134.813955
 3dP      -128.289368
 4sP       -51.061309
 4pM       -45.309540
 4pP       -36.960981
 4dM       -27.801714
 4dP       -26.257833
 4fM       -14.161790
 4fP       -13.757746
 5sP       -11.567882
 5pM        -9.330313
 5pP        -7.341819
 5dM        -4.070365
 5dP        -3.774286
 5fM        -0.417416
 5fP        -0.386017
 6sP        -2.022141
 6pM        -1.373296
 6pP        -1.044119
 7sP        -0.371570
