 Etot  =    -5869.960112
 Ekin  =     6151.031572
 Ecoul =     2355.751087
 Eenuc =   -14230.304070
 Exc   =     -146.438701
 1sP     -1013.757535
 2sP      -152.190962
 2pM      -142.151631
 2pP      -134.472549
 3sP       -29.098531
 3pM       -25.013645
 3pP       -23.625688
 3dM       -16.339779
 3dP       -16.053995
 4sP        -4.651254
 4pM        -3.310020
 4pP        -3.064266
 4dM        -0.985393
 4dP        -0.953503
 5sP        -0.561227
