 Etot  =   -21523.568903
 Ekin  =    25072.411183
 Ecoul =     8285.370514
 Eenuc =   -54541.343838
 Exc   =     -340.006762
 1sP     -3302.086274
 2sP      -593.426961
 2pM      -570.461192
 2pP      -486.404040
 3sP      -143.308860
 3pM      -132.886196
 3pP      -114.043678
 3dM       -96.921082
 3dP       -92.902698
 4sP       -32.859470
 4pM       -28.318752
 4pP       -23.663146
 4dM       -16.257998
 4dP       -15.384422
 4fM        -5.728200
 4fP        -5.526535
 5sP        -5.758438
 5pM        -4.176012
 5pP        -3.270574
 5dM        -1.063136
 5dP        -0.952668
 6sP        -0.536882
 6pM        -0.228107
 6pP        -0.156444
