 Etot  =    -1379.896444
 Ekin  =     1378.284211
 Ecoul =      586.158076
 Eenuc =    -3287.760605
 Exc   =      -56.578126
 1sD      -275.726385
 1su      -275.726041
 2sD       -32.477124
 2su       -32.438728
 2pD       -28.248089
 2pu       -28.218914
 3sD        -3.797895
 3su        -3.724264
 3pD        -2.538937
 3pu        -2.466985
 3dD        -0.492321
 3du        -0.429837
