 Etot  =    -5462.065582
 Ekin  =     5458.796900
 Ecoul =     2218.471171
 Eenuc =   -12993.530300
 Exc   =     -145.803354
 1sD      -941.793920
 1su      -941.792879
 2sD      -137.146447
 2su      -137.146208
 2pD      -127.949319
 2pu      -127.948981
 3sD       -25.695102
 3su       -25.694355
 3pD       -21.952686
 3pu       -21.951957
 3dD       -15.000056
 3du       -14.999488
 4sD        -3.913549
 4su        -3.912206
 4pD        -2.713321
 4pu        -2.711307
 4dD        -0.788652
 4du        -0.781299
 5sD        -0.481110
 5su        -0.449823
