 Etot  =    -5035.452296
 Ekin  =     5245.640802
 Ecoul =     2038.447071
 Eenuc =   -12187.023514
 Exc   =     -132.516655
 1sP      -883.067493
 2sP      -129.431023
 2pM      -120.268065
 2pP      -114.461188
 3sP       -23.669198
 3pM       -20.025041
 3pP       -19.011959
 3dM       -12.505623
 3dP       -12.302652
 4sP        -3.543933
 4pM        -2.410596
 4pP        -2.245360
 4dM        -0.558236
 4dP        -0.540468
