 Etot  =   -12139.021472
 Ekin  =    13272.252442
 Ecoul =     4731.910398
 Eenuc =   -29908.280813
 Exc   =     -234.903500
 1sP     -1957.201385
 2sP      -326.378437
 2pM      -310.735382
 2pP      -281.664983
 3sP       -72.848579
 3pM       -65.966022
 3pP       -59.924892
 3dM       -48.010173
 3dP       -46.683761
 4sP       -14.572908
 4pM       -11.850534
 4pP       -10.493067
 4dM        -5.988640
 4dP        -5.741744
 4fM        -0.383855
 4fP        -0.351410
 5sP        -2.033135
 5pM        -1.297089
 5pP        -1.124200
 6sP        -0.334018
