 Etot  =    -5035.797726
 Ekin  =     5245.950928
 Ecoul =     2057.310522
 Eenuc =   -12206.188696
 Exc   =     -132.870481
 1sP      -882.650191
 2sP      -129.011482
 2pM      -119.848810
 2pP      -114.041863
 3sP       -23.249302
 3pM       -19.605164
 3pP       -18.592062
 3dM       -12.085637
 3dP       -11.882662
 4sP        -3.126694
 4pM        -1.995682
 4pP        -1.831435
 4dM        -0.168447
 4dP        -0.152335
