 Etot  =    -2750.147940
 Ekin  =     2747.813142
 Ecoul =     1171.723688
 Eenuc =    -6577.865761
 Exc   =      -91.819009
 1sD      -509.982989
 1su      -509.982989
 2sD       -66.285953
 2su       -66.285953
 2pD       -60.017328
 2pu       -60.017328
 3sD        -9.315192
 3su        -9.315192
 3pD        -7.086634
 3pu        -7.086634
 3dD        -3.074109
 3du        -3.074109
 4sD        -0.820574
 4su        -0.820574
 4pD        -0.346340
 4pu        -0.346340
