 Etot  =    -2749.623528
 Ekin  =     2747.318006
 Ecoul =     1156.508957
 Eenuc =    -6561.991528
 Exc   =      -91.458964
 1sD      -510.426804
 1su      -510.423681
 2sD       -66.725525
 2su       -66.723445
 2pD       -60.457885
 2pu       -60.454961
 3sD        -9.752932
 3su        -9.748792
 3pD        -7.524553
 3pu        -7.519930
 3dD        -3.511972
 3du        -3.506474
 4sD        -1.233236
 4su        -1.204019
 4pD        -0.736999
 4pu        -0.709367
