 Etot  =   -17326.300248
 Ekin  =    17320.334387
 Ecoul =     6936.594742
 Eenuc =   -41256.976406
 Exc   =     -326.252971
 1s      -2613.377672
 2s       -435.137400
 2p       -418.240000
 3s       -101.554890
 3p        -93.589113
 3d        -78.680070
 4s        -21.390972
 4p        -17.977609
 4d        -11.699743
 4f         -3.318381
 5s         -3.232724
 5p         -2.167177
 5d         -0.553524
