 Etot  =    -2094.057595
 Ekin  =     2133.772372
 Ecoul =      901.819920
 Eenuc =    -5055.066254
 Exc   =      -74.583632
 1sP      -400.679718
 2sP       -50.187321
 2pM       -44.730430
 2pP       -43.567264
 3sP        -6.147224
 3pM        -4.339944
 3pP        -4.182988
 3dM        -1.100605
 3dP        -1.079068
 4sP        -0.438118
 4pM        -0.153561
 4pP        -0.146434
