 Etot  =   -16102.161275
 Ekin  =    17682.013141
 Ecoul =     6277.617737
 Eenuc =   -39778.922287
 Exc   =     -282.869866
 1s      -2536.902211
 2s       -438.605092
 2p       -384.236868
 3s       -101.264508
 3p        -85.125724
 3d        -66.482004
 4s        -21.080123
 4p        -15.772851
 4d         -9.024613
 4f         -1.517144
 5s         -3.178358
 5p         -1.868657
 5d         -0.441626
 6s         -0.457134
