 Etot  =   -14041.403192
 Ekin  =    15546.328629
 Ecoul =     5512.495434
 Eenuc =   -34840.526634
 Exc   =     -259.700621
 1sP     -2232.995325
 2sP      -378.791569
 2pM      -361.642683
 2pP      -323.627865
 3sP       -85.589445
 3pM       -77.961801
 3pP       -69.886432
 3dM       -56.821425
 3dP       -55.047252
 4sP       -17.006316
 4pM       -13.911434
 4pP       -12.075158
 4dM        -6.962500
 4dP        -6.626648
 5sP        -2.263392
 5pM        -1.423629
 5pP        -1.199579
 4fM        -0.401425
 4fP        -0.352846
 6sP        -0.350146
