 Etot  =    -6019.697098
 Ekin  =     6016.277186
 Ecoul =     2423.774975
 Eenuc =   -14304.277136
 Exc   =     -155.472123
 1sD     -1027.058072
 1su     -1027.057277
 2sD      -151.818139
 2su      -151.817819
 2pD      -142.115579
 2pu      -142.115007
 3sD       -29.419999
 3su       -29.419302
 3pD       -25.412000
 3pu       -25.411242
 3dD       -17.951277
 3du       -17.950599
 4sD        -4.840283
 4su        -4.838746
 4pD        -3.506017
 4pu        -3.504204
 4dD        -1.299029
 4du        -1.295045
 5sD        -0.645119
 5su        -0.621410
 5pD        -0.398124
 5pu        -0.373385
