 Etot  =    -3172.483393
 Ekin  =     3260.200400
 Ecoul =     1312.934532
 Eenuc =    -7647.945878
 Exc   =      -97.672447
 1sP      -582.635789
 2sP       -79.180976
 2pM       -72.205589
 2pP       -69.710987
 3sP       -12.429346
 3pM        -9.881554
 3pP        -9.498046
 3dM        -4.990795
 3dP        -4.923573
 4sP        -1.735879
 4pM        -1.103115
 4pP        -1.059565
 5sP        -0.315042
