 Etot  =    -8917.664369
 Ekin  =     8913.501128
 Ecoul =     3508.213147
 Eenuc =   -21136.965209
 Exc   =     -202.413435
 1s      -1457.338067
 2s       -227.426363
 2p       -215.418313
 3s        -48.924994
 3p        -43.692548
 3d        -33.913996
 4s         -9.577447
 4p         -7.613108
 4d         -4.154228
 4f         -0.155138
 5s         -1.296106
 5p         -0.778046
 6s         -0.124465
