 Etot  =    -1268.899730
 Ekin  =     1283.980208
 Ecoul =      529.858286
 Eenuc =    -3030.687310
 Exc   =      -52.050915
 1sP      -256.216507
 2sP       -30.302422
 2pM       -26.232665
 2pP       -25.776853
 3sP        -3.744973
 3pM        -2.554479
 3pP        -2.497673
 3dM        -0.602232
 3dP        -0.596521
 4sP        -0.463432
