 Etot  =    -4438.718980
 Ekin  =     4435.785139
 Ecoul =     1813.183666
 Eenuc =   -10561.354346
 Exc   =     -126.333439
 1s       -783.186773
 2s       -110.800618
 2p       -102.598471
 3s        -19.632564
 3p        -16.411062
 3d        -10.461175
 4s         -2.897512
 4p         -1.937515
 4d         -0.477077
