 Etot  =    -3536.757227
 Ekin  =     3534.147550
 Ecoul =     1464.408352
 Eenuc =    -8427.089908
 Exc   =     -108.223220
 1sD      -639.287374
 1su      -639.287427
 2sD       -87.234936
 2su       -87.229321
 2pD       -80.007226
 2pu       -80.003000
 3sD       -14.227694
 3su       -14.223725
 3pD       -11.511865
 3pu       -11.507511
 3dD        -6.542856
 3du        -6.536921
 4sD        -1.931667
 4su        -1.897000
 4pD        -1.201029
 4pu        -1.162960
 4dD        -0.166507
 4du        -0.127459
 5sD        -0.171319
 5su        -0.150253
