 Etot  =    -2570.180737
 Ekin  =     2567.957177
 Ecoul =     1084.624085
 Eenuc =    -6135.387554
 Exc   =      -87.374445
 1sD      -480.598539
 1su      -480.593139
 2sD       -62.121630
 2su       -62.118143
 2pD       -56.090814
 2pu       -56.085825
 3sD        -8.820520
 3su        -8.813301
 3pD        -6.710645
 3pu        -6.702503
 3dD        -2.934365
 3du        -2.924105
 4sD        -1.119942
 4su        -1.061079
 4pD        -0.672096
 4pu        -0.615988
