 Etot  =      -53.538713
 Ekin  =       53.311661
 Ecoul =       22.190512
 Eenuc =     -123.296050
 Exc   =       -5.744837
 1sP       -14.633058
 2sP        -1.184926
 2pM        -0.765805
 2pP        -0.764914
