 Etot  =    -2398.134930
 Ekin  =     2395.962682
 Ecoul =     1028.331555
 Eenuc =    -5738.781414
 Exc   =      -83.647752
 1sD      -451.297486
 1su      -451.293530
 2sD       -57.308578
 2su       -57.306154
 2pD       -51.511562
 2pu       -51.507995
 3sD        -7.545513
 3su        -7.540250
 3pD        -5.552210
 3pu        -5.546204
 3dD        -2.011154
 3du        -2.002955
 4sD        -0.641747
 4su        -0.590984
 4pD        -0.265108
 4pu        -0.217851
