 Etot  =    -4774.184700
 Ekin  =     4964.255412
 Ecoul =     1934.760095
 Eenuc =   -11545.345241
 Exc   =     -127.854965
 1sP      -841.812367
 2sP      -122.418171
 2pM      -113.539788
 2pP      -108.270677
 3sP       -22.096304
 3pM       -18.595441
 3pP       -17.688010
 3dM       -11.438132
 3dP       -11.258321
 4sP        -3.307128
 4pM        -2.238029
 4pP        -2.093684
 4dM        -0.518303
 4dP        -0.503421
