 Etot  =      -37.434171
 Ekin  =       37.215681
 Ecoul =       17.632308
 Eenuc =      -87.559852
 Exc   =       -4.722308
 1sP        -9.945976
 2sP        -0.501081
 2pM        -0.199322
 2pP        -0.198996
