 Etot  =    -2424.568130
 Ekin  =     2477.118890
 Ecoul =     1035.936588
 Eenuc =    -5855.395556
 Exc   =      -82.228052
 1sP      -457.074584
 2sP       -58.799215
 2pM       -52.849599
 2pP       -51.325968
 3sP        -7.793338
 3pM        -5.748636
 3pP        -5.533413
 3dM        -1.983004
 3dP        -1.950102
 4sP        -0.641075
 4pM        -0.254215
 4pP        -0.240036
