 Etot  =   -11637.649202
 Ekin  =    11632.827471
 Ecoul =     4622.577412
 Eenuc =   -27647.713000
 Exc   =     -245.341085
 1s      -1843.460613
 2s       -295.573193
 2p       -281.788971
 3s        -65.529058
 3p        -59.321580
 3d        -47.716434
 4s        -12.781258
 4p        -10.324136
 4d         -5.916476
 4f         -0.495373
 5s         -1.778451
 5p         -1.132824
 6s         -0.311865
