 Etot  =    -1939.237290
 Ekin  =     1973.535556
 Ecoul =      829.494635
 Eenuc =    -4671.596090
 Exc   =      -70.671391
 1sP      -374.276929
 2sP       -46.489075
 2pM       -41.273560
 2pP       -40.264186
 3sP        -5.710621
 3pM        -4.017625
 3pP        -3.884469
 3dM        -1.031543
 3dP        -1.014502
 4sP        -0.611228
