 Etot  =      -24.347331
 Ekin  =       24.170449
 Ecoul =       11.504760
 Eenuc =      -56.502555
 Exc   =       -3.519985
 1sP        -6.562952
 2sP        -0.344764
 2pM        -0.136646
 2pP        -0.136524
