 Etot  =    -3751.295618
 Ekin  =     3748.618193
 Ecoul =     1552.282731
 Eenuc =    -8939.372358
 Exc   =     -112.824183
 1sD      -673.741646
 1su      -673.741181
 2sD       -92.726356
 2su       -92.713949
 2pD       -85.256149
 2pu       -85.246685
 3sD       -15.378027
 3su       -15.368982
 3pD       -12.537552
 3pu       -12.527684
 3dD        -7.326132
 3du        -7.312987
 4sD        -2.051164
 4su        -1.980783
 4pD        -1.267414
 4pu        -1.190799
 4dD        -0.147771
 4du        -0.062430
 5sD        -0.160853
 5su        -0.097818
