 Etot  =    -4438.767375
 Ekin  =     4435.840688
 Ecoul =     1813.421502
 Eenuc =   -10561.638263
 Exc   =     -126.391302
 1sD      -783.180393
 1su      -783.180208
 2sD      -110.801719
 2su      -110.786553
 2pD      -102.597798
 2pu      -102.586159
 3sD       -19.631750
 3su       -19.621253
 3pD       -16.410686
 3pu       -16.399279
 3dD       -10.462604
 3du       -10.447452
 4sD        -2.924481
 4su        -2.857698
 4pD        -1.965429
 4pu        -1.896860
 4dD        -0.503895
 4du        -0.439152
