 Etot  =    -1650.601348
 Ekin  =     1675.717144
 Ecoul =      708.499960
 Eenuc =    -3971.486259
 Exc   =      -63.332192
 1sP      -323.909291
 2sP       -39.179972
 2pM       -34.435727
 2pP       -33.687388
 3sP        -4.501781
 3pM        -3.026350
 3pP        -2.931709
 3dM        -0.521145
 3dP        -0.511066
