 Etot  =    -2397.770127
 Ekin  =     2395.631210
 Ecoul =     1015.738045
 Eenuc =    -5725.744156
 Exc   =      -83.395226
 1sD      -451.683786
 1su      -451.676951
 2sD       -57.691277
 2su       -57.687106
 2pD       -51.895124
 2pu       -51.888970
 3sD        -7.928083
 3su        -7.918974
 3pD        -5.934975
 3pu        -5.924559
 3dD        -2.393953
 3du        -2.379691
 4sD        -1.004116
 4su        -0.914290
 4pD        -0.604610
 4pu        -0.518013
