 Etot  =    -8844.886564
 Ekin  =     9460.503125
 Ecoul =     3422.788864
 Eenuc =   -21538.766207
 Exc   =     -189.412346
 1sP     -1469.545032
 2sP      -235.530285
 2pM      -222.648191
 2pP      -206.405959
 3sP       -50.732489
 3pM       -45.227471
 3pP       -42.034423
 3dM       -32.330578
 3dP       -31.641268
 4sP       -10.253086
 4pM        -8.202550
 4pP        -7.511212
 4dM        -4.127385
 4dP        -4.005804
 4fM        -0.218982
 4fP        -0.206647
 5sP        -1.490643
 5pM        -0.926609
 5pP        -0.824373
 5dM        -0.122052
 5dP        -0.114561
 6sP        -0.142238
