 Etot  =    -4202.325611
 Ekin  =     4199.490170
 Ecoul =     1725.578215
 Eenuc =   -10005.598726
 Exc   =     -121.795270
 1sD      -745.723044
 1su      -745.722687
 2sD      -104.559873
 2su      -104.536212
 2pD       -96.599794
 2pu       -96.581672
 3sD       -18.125551
 3su       -18.108993
 3pD       -15.032675
 3pu       -15.014633
 3dD        -9.333566
 3du        -9.309538
 4sD        -2.588303
 4su        -2.475621
 4pD        -1.683092
 4pu        -1.566272
 4dD        -0.310116
 4du        -0.200026
 5sD        -0.200501
 5su        -0.159363
