 Etot  =    -4439.044607
 Ekin  =     4436.105649
 Ecoul =     1825.194396
 Eenuc =   -10573.779082
 Exc   =     -126.565569
 1sD      -782.908936
 1su      -782.908052
 2sD      -110.533692
 2su      -110.518645
 2pD      -102.329562
 2pu      -102.317908
 3sD       -19.362561
 3su       -19.351718
 3pD       -16.141513
 3pu       -16.129785
 3dD       -10.193708
 3du       -10.178406
 4sD        -2.651582
 4su        -2.584960
 4pD        -1.691875
 4pu        -1.622948
 4dD        -0.235493
 4du        -0.165695
 5sD        -0.168740
 5su        -0.123625
