 Etot  =    -1154.976857
 Ekin  =     1167.483435
 Ecoul =      479.886812
 Eenuc =    -2753.686712
 Exc   =      -48.660392
 1sP      -235.392758
 2sP       -27.519149
 2pM       -23.669807
 2pP       -23.288858
 3sP        -3.437099
 3pM        -2.337200
 3pP        -2.290345
 3dM        -0.562544
 3dP        -0.558090
 4sP        -0.446450
