 Etot  =    -6019.690952
 Ekin  =     6016.269330
 Ecoul =     2423.723365
 Eenuc =   -14304.219171
 Exc   =     -155.464476
 1s      -1027.058821
 2s       -151.819114
 2p       -142.116430
 3s        -29.420760
 3p        -25.412732
 3d        -17.952052
 4s         -4.840552
 4p         -3.506142
 4d         -1.298071
 5s         -0.634789
 5p         -0.387411
