 Etot  =    -2073.829860
 Ekin  =     2071.810411
 Ecoul =      896.161607
 Eenuc =    -4966.025799
 Exc   =      -75.776078
 1sD      -396.286773
 1su      -396.284458
 2sD       -49.048574
 2su       -49.047574
 2pD       -43.713794
 2pu       -43.711998
 3sD        -5.955859
 3su        -5.953137
 3pD        -4.189493
 3pu        -4.186209
 3dD        -1.113417
 3du        -1.107268
 4sD        -0.442567
 4su        -0.395513
 4pD        -0.165716
 4pu        -0.120492
