 Etot  =    -6608.265960
 Ekin  =     6604.691713
 Ecoul =     2636.992664
 Eenuc =   -15684.648108
 Exc   =     -165.302229
 1s      -1116.167353
 2s       -167.355624
 2p       -157.142676
 3s        -33.470642
 3p        -29.193887
 3d        -21.221013
 4s         -5.904478
 4p         -4.431536
 4d         -1.938790
 5s         -0.823975
 5p         -0.510617
