 Etot  =    -5305.487822
 Ekin  =     5537.467641
 Ecoul =     2160.192112
 Eenuc =   -12865.696462
 Exc   =     -137.451114
 1sP      -925.100814
 2sP      -136.360076
 2pM      -126.908805
 2pP      -120.522583
 3sP       -24.991112
 3pM       -21.201871
 3pP       -20.073878
 3dM       -13.309422
 3dP       -13.081156
 4sP        -3.480046
 4pM        -2.280871
 4pP        -2.092419
 4dM        -0.294880
 4dP        -0.274268
 5sP        -0.172527
