 Etot  =    -1261.093056
 Ekin  =     1259.553429
 Ecoul =      535.295832
 Eenuc =    -3003.082484
 Exc   =      -52.859833
 1s       -254.225505
 2s        -29.564860
 2p        -25.551766
 3s         -3.360621
 3p         -2.187523
 3d         -0.295049
 4s         -0.197978
