 Etot  =    -3536.517146
 Ekin  =     3533.930377
 Ecoul =     1454.759737
 Eenuc =    -8417.125219
 Exc   =     -108.082041
 1sD      -639.534657
 1su      -639.533975
 2sD       -87.480726
 2su       -87.474244
 2pD       -80.253082
 2pu       -80.248089
 3sD       -14.473699
 3su       -14.468623
 3pD       -11.757880
 3pu       -11.752371
 3dD        -6.788819
 3du        -6.781618
 4sD        -2.178506
 4su        -2.138998
 4pD        -1.447942
 4pu        -1.403751
 4dD        -0.406846
 4du        -0.350190
 5sD        -0.383850
 5su        -0.329925
