 Etot  =     -396.356540
 Ekin  =      395.559430
 Ecoul =      170.428392
 Eenuc =     -938.433844
 Exc   =      -23.910518
 1sD       -88.222900
 1su       -88.204279
 2sD        -8.126973
 2su        -8.106053
 2pD        -6.181568
 2pu        -6.155621
 3sD        -1.050474
 3su        -0.937732
 3pD        -0.657546
 3pu        -0.553615
