 Etot  =    -6310.061853
 Ekin  =     6306.564666
 Ecoul =     2528.997424
 Eenuc =   -14985.270697
 Exc   =     -160.353245
 1s      -1071.139758
 2s       -159.486412
 2p       -149.529165
 3s        -31.412395
 3p        -27.270374
 3d        -19.554069
 4s         -5.362715
 4p         -3.959516
 4d         -1.609223
 5s         -0.730142
 5p         -0.449844
