 Etot  =    -4202.066863
 Ekin  =     4199.259233
 Ecoul =     1714.049484
 Eenuc =    -9993.727675
 Exc   =     -121.647905
 1sD      -745.997098
 1su      -745.995939
 2sD      -104.832214
 2su      -104.807542
 2pD       -96.872204
 2pu       -96.853190
 3sD       -18.398332
 3su       -18.380567
 3pD       -15.305465
 3pu       -15.286175
 3dD        -9.606267
 3du        -9.580895
 4sD        -2.862533
 4su        -2.745184
 4pD        -1.957484
 4pu        -1.835012
 4dD        -0.581551
 4du        -0.455568
 5sD        -0.439241
 5su        -0.356858
