 Etot  =   -22187.211055
 Ekin  =    25966.791688
 Ecoul =     8486.984248
 Eenuc =   -56295.064926
 Exc   =     -345.922066
 1sP     -3396.781593
 2sP      -613.427554
 2pM      -589.943400
 2pP      -500.943959
 3sP      -149.186192
 3pM      -138.521926
 3pP      -118.502248
 3dM      -101.050714
 3dP       -96.798160
 4sP       -34.905970
 4pM       -30.239763
 4pP       -25.260656
 4dM       -17.666367
 4dP       -16.732332
 4fM        -6.807393
 4fP        -6.587855
 5sP        -6.588281
 5pM        -4.937424
 5pP        -3.941008
 5dM        -1.612695
 5dP        -1.485582
 6sP        -0.923044
 6pM        -0.561694
 6pP        -0.457420
