 Etot  =    -1516.608061
 Ekin  =     1537.937741
 Ecoul =      646.658431
 Eenuc =    -3641.685559
 Exc   =      -59.518674
 1sP      -300.367667
 2sP       -36.016162
 2pM       -31.500331
 2pP       -30.861715
 3sP        -4.173605
 3pM        -2.797813
 3pP        -2.717784
 3dM        -0.493990
 3dP        -0.485818
