 Etot  =    -2093.959277
 Ekin  =     2127.263869
 Ecoul =      901.341795
 Eenuc =    -5048.045180
 Exc   =      -74.519761
 1s       -400.803613
 2s        -50.207818
 2p        -43.966297
 3s         -6.149280
 3p         -4.235425
 3d         -1.087994
 4s         -0.438208
 4p         -0.148755
