 Etot  =     -758.442642
 Ekin  =      757.310367
 Ecoul =      313.325909
 Eenuc =    -1792.310123
 Exc   =      -36.768796
 1sD      -160.444903
 1su      -160.443543
 2sD       -17.468581
 2su       -17.457786
 2pD       -14.501351
 2pu       -14.492708
 3sD        -2.260896
 3su        -2.228265
 3pD        -1.505635
 3pu        -1.472120
 3dD        -0.396120
 3du        -0.356609
 4sD        -0.380039
 4su        -0.333713
