 Etot  =     -598.039506
 Ekin  =      597.022039
 Ecoul =      253.198619
 Eenuc =    -1416.720316
 Exc   =      -31.539848
 1sD      -128.642952
 1su      -128.642952
 2sD       -13.066726
 2su       -13.066726
 2pD       -10.511548
 2pu       -10.511548
 3sD        -1.508080
 3su        -1.508080
 3pD        -0.918369
 3pu        -0.918369
