 Etot  =   -12598.221653
 Ekin  =    13816.190980
 Ecoul =     4934.922054
 Eenuc =   -31108.212282
 Exc   =     -241.122405
 1sP     -2023.824663
 2sP      -338.777190
 2pM      -322.766138
 2pP      -291.640013
 3sP       -75.680347
 3pM       -68.615231
 3pP       -62.109415
 3dM       -49.909838
 3dP       -48.480569
 4sP       -14.920378
 4pM       -12.107242
 4pP       -10.640301
 4dM        -5.986655
 4dP        -5.719263
 4fM        -0.148512
 4fP        -0.112467
 5sP        -1.844941
 5pM        -1.084230
 5pP        -0.900063
 6sP        -0.144415
